smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000237506058 1032229256 /nfs/dbraw/zinc/22/92/56/1032229256.db2.gz WEWYAQJASKAOCN-HNAYVOBHSA-N 1 2 349.459 4.313 20 30 EIEDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512422245 1032729795 /nfs/dbraw/zinc/72/97/95/1032729795.db2.gz YUIDSQPYUMFFQP-GOSISDBHSA-N 1 2 326.440 4.296 20 30 EIEDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512422245 1032729816 /nfs/dbraw/zinc/72/98/16/1032729816.db2.gz YUIDSQPYUMFFQP-GOSISDBHSA-N 1 2 326.440 4.296 20 30 EIEDLO C=CCCCCCN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001209431452 1020323110 /nfs/dbraw/zinc/32/31/10/1020323110.db2.gz OFZWOKIKQBXXFN-UHFFFAOYSA-N 1 2 346.490 4.153 20 30 EIEDLO Cc1c(F)cc[nH+]c1N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001167153041 1020405913 /nfs/dbraw/zinc/40/59/13/1020405913.db2.gz ZMWOOSTYZDJTGO-UHFFFAOYSA-N 1 2 345.805 4.102 20 30 EIEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000613430591 1022011397 /nfs/dbraw/zinc/01/13/97/1022011397.db2.gz CVFHWIUBKDATNH-UHFFFAOYSA-N 1 2 331.423 4.049 20 30 EIEDLO N#Cc1csc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000356294968 1022625261 /nfs/dbraw/zinc/62/52/61/1022625261.db2.gz GPQOLHGLYGAYOW-KRWDZBQOSA-N 1 2 333.407 4.077 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728748649 1022826300 /nfs/dbraw/zinc/82/63/00/1022826300.db2.gz XMLKELFRFVJOBH-QZTJIDSGSA-N 1 2 334.508 4.226 20 30 EIEDLO C[C@H](Nc1[nH+]cccc1CC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001167707208 1022957019 /nfs/dbraw/zinc/95/70/19/1022957019.db2.gz KCGLZTSHONZYAJ-AWEZNQCLSA-N 1 2 337.423 4.011 20 30 EIEDLO C[C@H](Nc1c(Br)ccc2[nH+]ccn21)c1cccc(C#N)c1 ZINC001167709251 1023055650 /nfs/dbraw/zinc/05/56/50/1023055650.db2.gz LDMDNIXRAFBXEO-NSHDSACASA-N 1 2 341.212 4.142 20 30 EIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccc(OC)cc1 ZINC000054272505 1023286687 /nfs/dbraw/zinc/28/66/87/1023286687.db2.gz YMMNPCMIELYOBP-UHFFFAOYSA-N 1 2 349.434 4.242 20 30 EIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccc(OC)cc1 ZINC000054272505 1023286696 /nfs/dbraw/zinc/28/66/96/1023286696.db2.gz YMMNPCMIELYOBP-UHFFFAOYSA-N 1 2 349.434 4.242 20 30 EIEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2Br)c2ccco2)CC1 ZINC000926872834 1023560626 /nfs/dbraw/zinc/56/06/26/1023560626.db2.gz BTIGYLWKVCCOBL-HNNXBMFYSA-N 1 2 345.240 4.219 20 30 EIEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2Br)c2ccoc2)CC1 ZINC000926874552 1023568889 /nfs/dbraw/zinc/56/88/89/1023568889.db2.gz QRCVZRVHOGWVKV-INIZCTEOSA-N 1 2 345.240 4.219 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(CC(F)(F)F)s1 ZINC000891507826 1023728126 /nfs/dbraw/zinc/72/81/26/1023728126.db2.gz ARVLVIDZBLDPQE-UHFFFAOYSA-N 1 2 332.416 4.498 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(CC(F)(F)F)s1 ZINC000891507826 1023728137 /nfs/dbraw/zinc/72/81/37/1023728137.db2.gz ARVLVIDZBLDPQE-UHFFFAOYSA-N 1 2 332.416 4.498 20 30 EIEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000661421342 1024109369 /nfs/dbraw/zinc/10/93/69/1024109369.db2.gz ULFSAKXVVHEPDL-ZWKOTPCHSA-N 1 2 346.519 4.002 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC001140486572 1024465080 /nfs/dbraw/zinc/46/50/80/1024465080.db2.gz WLMLIGAYOZJKAS-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC001140486572 1024465093 /nfs/dbraw/zinc/46/50/93/1024465093.db2.gz WLMLIGAYOZJKAS-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000510857926 1024661782 /nfs/dbraw/zinc/66/17/82/1024661782.db2.gz VTTZNRUUAXSSRX-INIZCTEOSA-N 1 2 328.481 4.178 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000510857926 1024661802 /nfs/dbraw/zinc/66/18/02/1024661802.db2.gz VTTZNRUUAXSSRX-INIZCTEOSA-N 1 2 328.481 4.178 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000510908633 1024783937 /nfs/dbraw/zinc/78/39/37/1024783937.db2.gz MXPZBFIUJCFKCK-UHFFFAOYSA-N 1 2 347.418 4.388 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC000380534523 1025370012 /nfs/dbraw/zinc/37/00/12/1025370012.db2.gz UTNYATQTVILLSM-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC000380534523 1025370030 /nfs/dbraw/zinc/37/00/30/1025370030.db2.gz UTNYATQTVILLSM-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO N#CCC[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000342226261 1025508354 /nfs/dbraw/zinc/50/83/54/1025508354.db2.gz PWMIJHAWMXRQIX-HXUWFJFHSA-N 1 2 330.435 4.066 20 30 EIEDLO C=C1CC[NH+](Cc2c(C(=O)OCC)sc3cccc(F)c32)CC1 ZINC000519445390 1025822409 /nfs/dbraw/zinc/82/24/09/1025822409.db2.gz VJNNEEDXGLSZSJ-UHFFFAOYSA-N 1 2 333.428 4.369 20 30 EIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000519446473 1025829871 /nfs/dbraw/zinc/82/98/71/1025829871.db2.gz MCOFBHXKFRFYHJ-FQEVSTJZSA-N 1 2 336.435 4.027 20 30 EIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000512081209 1025897200 /nfs/dbraw/zinc/89/72/00/1025897200.db2.gz ADGFAJSUEVMUMN-UHFFFAOYSA-N 1 2 328.419 4.137 20 30 EIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000512081209 1025897203 /nfs/dbraw/zinc/89/72/03/1025897203.db2.gz ADGFAJSUEVMUMN-UHFFFAOYSA-N 1 2 328.419 4.137 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000344114803 1026030006 /nfs/dbraw/zinc/03/00/06/1026030006.db2.gz NFVQUTFVMMKAQH-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000344114803 1026030024 /nfs/dbraw/zinc/03/00/24/1026030024.db2.gz NFVQUTFVMMKAQH-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000894551993 1026202037 /nfs/dbraw/zinc/20/20/37/1026202037.db2.gz CVMCASBRMPNLFD-CYBMUJFWSA-N 1 2 344.789 4.365 20 30 EIEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370899895 1026489039 /nfs/dbraw/zinc/48/90/39/1026489039.db2.gz RNMVYBMPSSGAKV-MSOLQXFVSA-N 1 2 338.455 4.006 20 30 EIEDLO CC[C@@H]([NH2+][C@H](C)c1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000375720058 1026854430 /nfs/dbraw/zinc/85/44/30/1026854430.db2.gz PZSKSHCVDBZXJZ-RDTXWAMCSA-N 1 2 332.407 4.410 20 30 EIEDLO C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1cccc(C#N)c1 ZINC000046518395 1026919653 /nfs/dbraw/zinc/91/96/53/1026919653.db2.gz MPTJVCASWTXAFC-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1cccc(C#N)c1 ZINC000046518395 1026919661 /nfs/dbraw/zinc/91/96/61/1026919661.db2.gz MPTJVCASWTXAFC-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)o2)c1 ZINC000441210716 1027361626 /nfs/dbraw/zinc/36/16/26/1027361626.db2.gz QOHLUCTYVNAYCK-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)o2)c1 ZINC000441210716 1027361648 /nfs/dbraw/zinc/36/16/48/1027361648.db2.gz QOHLUCTYVNAYCK-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330780034 1027886542 /nfs/dbraw/zinc/88/65/42/1027886542.db2.gz NBPKOLDUPHBKHT-MRXNPFEDSA-N 1 2 327.472 4.071 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738090405 1027921846 /nfs/dbraw/zinc/92/18/46/1027921846.db2.gz RPZFGEHMBDVNNR-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738090405 1027921863 /nfs/dbraw/zinc/92/18/63/1027921863.db2.gz RPZFGEHMBDVNNR-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO Cc1cc(C)c(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)c(C)[nH+]1 ZINC000331352241 1027960442 /nfs/dbraw/zinc/96/04/42/1027960442.db2.gz ZFFXZGBRFNRYHM-CQSZACIVSA-N 1 2 329.366 4.263 20 30 EIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1C ZINC000329782733 1028121044 /nfs/dbraw/zinc/12/10/44/1028121044.db2.gz UPBKZLKIBUOLPC-YESZJQIVSA-N 1 2 345.487 4.022 20 30 EIEDLO CN(CC1CCC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330226187 1028234203 /nfs/dbraw/zinc/23/42/03/1028234203.db2.gz BKAJLRLAWYMSFG-UHFFFAOYSA-N 1 2 338.455 4.164 20 30 EIEDLO Cc1cn2cc(NC(=O)NC[C@@H]3CCCCC(F)(F)C3)ccc2[nH+]1 ZINC000330282283 1028249817 /nfs/dbraw/zinc/24/98/17/1028249817.db2.gz ANAYTDFOAACLDX-CYBMUJFWSA-N 1 2 336.386 4.184 20 30 EIEDLO C[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330341032 1028602933 /nfs/dbraw/zinc/60/29/33/1028602933.db2.gz YSJUYZIDYCWGHE-QGPMSJSTSA-N 1 2 333.476 4.203 20 30 EIEDLO C=CCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000522747920 1028755148 /nfs/dbraw/zinc/75/51/48/1028755148.db2.gz DNJDUHHYBFHRPS-CYBMUJFWSA-N 1 2 334.464 4.087 20 30 EIEDLO N#Cc1cc(Br)cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213088737 1028814936 /nfs/dbraw/zinc/81/49/36/1028814936.db2.gz AUYKDMYKKWKJOT-UHFFFAOYSA-N 1 2 339.196 4.454 20 30 EIEDLO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000522833839 1028984972 /nfs/dbraw/zinc/98/49/72/1028984972.db2.gz ODEUYRWQOUQDHW-AUUYWEPGSA-N 1 2 326.440 4.376 20 30 EIEDLO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000522833839 1028984989 /nfs/dbraw/zinc/98/49/89/1028984989.db2.gz ODEUYRWQOUQDHW-AUUYWEPGSA-N 1 2 326.440 4.376 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000246807031 1029170983 /nfs/dbraw/zinc/17/09/83/1029170983.db2.gz BOFIGNLCZJNUDM-DYVFJYSZSA-N 1 2 346.475 4.088 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S ZINC000246807031 1029170992 /nfs/dbraw/zinc/17/09/92/1029170992.db2.gz BOFIGNLCZJNUDM-DYVFJYSZSA-N 1 2 346.475 4.088 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000187786818 1029791635 /nfs/dbraw/zinc/79/16/35/1029791635.db2.gz JBWGIJZXXYSKOJ-MRXNPFEDSA-N 1 2 335.350 4.060 20 30 EIEDLO CN(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480577787 1030451244 /nfs/dbraw/zinc/45/12/44/1030451244.db2.gz IEIKYQVZUYKGRN-UHFFFAOYSA-N 1 2 339.870 4.312 20 30 EIEDLO CC(=[NH+]n1cc(Br)cn1)[C@H](C)c1nc2ccccc2s1 ZINC000752746753 1030464181 /nfs/dbraw/zinc/46/41/81/1030464181.db2.gz JDWDTHFZMJIPAX-VIFPVBQESA-N 1 2 349.257 4.283 20 30 EIEDLO CC(C)(C)c1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000448226152 1030666398 /nfs/dbraw/zinc/66/63/98/1030666398.db2.gz YKTJITPQDGJXSN-UHFFFAOYSA-N 1 2 325.481 4.477 20 30 EIEDLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000448226152 1030666402 /nfs/dbraw/zinc/66/64/02/1030666402.db2.gz YKTJITPQDGJXSN-UHFFFAOYSA-N 1 2 325.481 4.477 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cc1OC ZINC000103225555 1030863457 /nfs/dbraw/zinc/86/34/57/1030863457.db2.gz YXJMPYUOVSDIOV-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cc1OC ZINC000103225555 1030863458 /nfs/dbraw/zinc/86/34/58/1030863458.db2.gz YXJMPYUOVSDIOV-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000612120623 1030943193 /nfs/dbraw/zinc/94/31/93/1030943193.db2.gz BGVHBFDXRAETKE-CQSZACIVSA-N 1 2 348.475 4.490 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000612161897 1031070037 /nfs/dbraw/zinc/07/00/37/1031070037.db2.gz WMRZBEZOLDWINC-OAQYLSRUSA-N 1 2 330.435 4.127 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000612161897 1031070061 /nfs/dbraw/zinc/07/00/61/1031070061.db2.gz WMRZBEZOLDWINC-OAQYLSRUSA-N 1 2 330.435 4.127 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449050054 1031402057 /nfs/dbraw/zinc/40/20/57/1031402057.db2.gz SUKLCDJQZHLUHU-RTWAWAEBSA-N 1 2 334.467 4.270 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449050054 1031402064 /nfs/dbraw/zinc/40/20/64/1031402064.db2.gz SUKLCDJQZHLUHU-RTWAWAEBSA-N 1 2 334.467 4.270 20 30 EIEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(Br)cc1F ZINC000528633177 1031710186 /nfs/dbraw/zinc/71/01/86/1031710186.db2.gz FFZXMNXESDVQRI-VIFPVBQESA-N 1 2 329.188 4.072 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccsc2)n1)Cc1cccc(C#N)c1 ZINC000026327635 1031927273 /nfs/dbraw/zinc/92/72/73/1031927273.db2.gz CUXCIBCTGDDXSD-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1cccc(C#N)c1 ZINC000026327635 1031927290 /nfs/dbraw/zinc/92/72/90/1031927290.db2.gz CUXCIBCTGDDXSD-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)cc1F ZINC000512621426 1033508587 /nfs/dbraw/zinc/50/85/87/1033508587.db2.gz XWDSBTSRRKRWOF-SNVBAGLBSA-N 1 2 338.304 4.289 20 30 EIEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512659531 1033646097 /nfs/dbraw/zinc/64/60/97/1033646097.db2.gz HUAIQPAISNBOIW-KBXCAEBGSA-N 1 2 330.403 4.355 20 30 EIEDLO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)cc1F ZINC000512667863 1033671100 /nfs/dbraw/zinc/67/11/00/1033671100.db2.gz RJNGSILFCUECAN-LLVKDONJSA-N 1 2 327.384 4.265 20 30 EIEDLO CC[N@H+](Cc1csc(-c2ncccn2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000345205633 1035155852 /nfs/dbraw/zinc/15/58/52/1035155852.db2.gz DRRUNTJWJAVXLK-CQSZACIVSA-N 1 2 349.463 4.055 20 30 EIEDLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000345205633 1035155860 /nfs/dbraw/zinc/15/58/60/1035155860.db2.gz DRRUNTJWJAVXLK-CQSZACIVSA-N 1 2 349.463 4.055 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000345299390 1035188579 /nfs/dbraw/zinc/18/85/79/1035188579.db2.gz IRDLAQJIPXJKLL-UHFFFAOYSA-N 1 2 330.453 4.071 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000345299390 1035188583 /nfs/dbraw/zinc/18/85/83/1035188583.db2.gz IRDLAQJIPXJKLL-UHFFFAOYSA-N 1 2 330.453 4.071 20 30 EIEDLO N#CCCC[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000595502364 1035689849 /nfs/dbraw/zinc/68/98/49/1035689849.db2.gz LLAMZOQLYYSQIH-GFCCVEGCSA-N 1 2 340.374 4.082 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000595621074 1035737106 /nfs/dbraw/zinc/73/71/06/1035737106.db2.gz SDTPTBKBGJEHFG-GFCCVEGCSA-N 1 2 333.407 4.214 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000595621074 1035737123 /nfs/dbraw/zinc/73/71/23/1035737123.db2.gz SDTPTBKBGJEHFG-GFCCVEGCSA-N 1 2 333.407 4.214 20 30 EIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619442 1035739387 /nfs/dbraw/zinc/73/93/87/1035739387.db2.gz BEKTVWRWGAXSQV-QWHCGFSZSA-N 1 2 330.432 4.031 20 30 EIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619442 1035739404 /nfs/dbraw/zinc/73/94/04/1035739404.db2.gz BEKTVWRWGAXSQV-QWHCGFSZSA-N 1 2 330.432 4.031 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000595613893 1035749385 /nfs/dbraw/zinc/74/93/85/1035749385.db2.gz IVFASQFLTFKUBS-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000595613893 1035749394 /nfs/dbraw/zinc/74/93/94/1035749394.db2.gz IVFASQFLTFKUBS-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000595615324 1035752197 /nfs/dbraw/zinc/75/21/97/1035752197.db2.gz PWAWIOQSEFLEOQ-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000595615324 1035752231 /nfs/dbraw/zinc/75/22/31/1035752231.db2.gz PWAWIOQSEFLEOQ-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889542 1035802531 /nfs/dbraw/zinc/80/25/31/1035802531.db2.gz JFKRUDKWQNRBMB-XJKSGUPXSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889542 1035802535 /nfs/dbraw/zinc/80/25/35/1035802535.db2.gz JFKRUDKWQNRBMB-XJKSGUPXSA-N 1 2 340.389 4.029 20 30 EIEDLO CC1(C)C[C@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000595908308 1035804939 /nfs/dbraw/zinc/80/49/39/1035804939.db2.gz HBVRXXAIGHVVMI-NRFANRHFSA-N 1 2 344.418 4.023 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597228902 1036162521 /nfs/dbraw/zinc/16/25/21/1036162521.db2.gz ICZTUXAOACKENS-OAQYLSRUSA-N 1 2 346.434 4.176 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597228902 1036162529 /nfs/dbraw/zinc/16/25/29/1036162529.db2.gz ICZTUXAOACKENS-OAQYLSRUSA-N 1 2 346.434 4.176 20 30 EIEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000597228588 1036163093 /nfs/dbraw/zinc/16/30/93/1036163093.db2.gz DOPYCCJCGNRZLC-OAQYLSRUSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000597228588 1036163098 /nfs/dbraw/zinc/16/30/98/1036163098.db2.gz DOPYCCJCGNRZLC-OAQYLSRUSA-N 1 2 336.435 4.010 20 30 EIEDLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)ccc1C#N ZINC000588211859 1036314480 /nfs/dbraw/zinc/31/44/80/1036314480.db2.gz STYSKRHFABPEGI-SFHVURJKSA-N 1 2 336.439 4.244 20 30 EIEDLO Cc1cc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)ccc1C#N ZINC000588211859 1036314491 /nfs/dbraw/zinc/31/44/91/1036314491.db2.gz STYSKRHFABPEGI-SFHVURJKSA-N 1 2 336.439 4.244 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000602447093 1036451999 /nfs/dbraw/zinc/45/19/99/1036451999.db2.gz ATCJBUYCZMQHGP-GFCCVEGCSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000602447093 1036452012 /nfs/dbraw/zinc/45/20/12/1036452012.db2.gz ATCJBUYCZMQHGP-GFCCVEGCSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835314 1036638389 /nfs/dbraw/zinc/63/83/89/1036638389.db2.gz ALMQQGVHZDOHBC-BBRMVZONSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835314 1036638401 /nfs/dbraw/zinc/63/84/01/1036638401.db2.gz ALMQQGVHZDOHBC-BBRMVZONSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000602870872 1036653492 /nfs/dbraw/zinc/65/34/92/1036653492.db2.gz XYYFCCFMOKBNND-GJZGRUSLSA-N 1 2 339.464 4.057 20 30 EIEDLO COc1ccc(C#N)cc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599696693 1037124142 /nfs/dbraw/zinc/12/41/42/1037124142.db2.gz FKZFHSRRFAZORT-UHFFFAOYSA-N 1 2 328.362 4.014 20 30 EIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288333 1038207677 /nfs/dbraw/zinc/20/76/77/1038207677.db2.gz UHDHZICHTDZFQQ-UHFFFAOYSA-N 1 2 349.390 4.438 20 30 EIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288333 1038207696 /nfs/dbraw/zinc/20/76/96/1038207696.db2.gz UHDHZICHTDZFQQ-UHFFFAOYSA-N 1 2 349.390 4.438 20 30 EIEDLO CCOc1ccc(CNc2[nH+]cccc2OCCCC#N)c(C)c1 ZINC000594735114 1038395956 /nfs/dbraw/zinc/39/59/56/1038395956.db2.gz KHEPHNAUXSOPEK-UHFFFAOYSA-N 1 2 325.412 4.083 20 30 EIEDLO C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000505264605 1039174574 /nfs/dbraw/zinc/17/45/74/1039174574.db2.gz DQWMDMUREJXOCN-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000505264605 1039174588 /nfs/dbraw/zinc/17/45/88/1039174588.db2.gz DQWMDMUREJXOCN-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000505268246 1039180262 /nfs/dbraw/zinc/18/02/62/1039180262.db2.gz ZRJVJCHLBCZTDB-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000505268246 1039180267 /nfs/dbraw/zinc/18/02/67/1039180267.db2.gz ZRJVJCHLBCZTDB-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000600121968 1039310915 /nfs/dbraw/zinc/31/09/15/1039310915.db2.gz YYAIDZNBFVUUFR-CYBMUJFWSA-N 1 2 334.847 4.037 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000600121968 1039310932 /nfs/dbraw/zinc/31/09/32/1039310932.db2.gz YYAIDZNBFVUUFR-CYBMUJFWSA-N 1 2 334.847 4.037 20 30 EIEDLO C=CCC[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccco1 ZINC000552265170 1039324717 /nfs/dbraw/zinc/32/47/17/1039324717.db2.gz MODBFFHZMGXLAM-SOLBZPMBSA-N 1 2 341.455 4.408 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000552405446 1039470810 /nfs/dbraw/zinc/47/08/10/1039470810.db2.gz BXAYZDHYYTVBFX-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000552405446 1039470829 /nfs/dbraw/zinc/47/08/29/1039470829.db2.gz BXAYZDHYYTVBFX-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO COc1cc(C[N@H+](CCC#N)CCC(C)C)c(SC)cc1OC ZINC000093100792 1039626155 /nfs/dbraw/zinc/62/61/55/1039626155.db2.gz BAWBLXQWVKKGKH-UHFFFAOYSA-N 1 2 336.501 4.187 20 30 EIEDLO COc1cc(C[N@@H+](CCC#N)CCC(C)C)c(SC)cc1OC ZINC000093100792 1039626177 /nfs/dbraw/zinc/62/61/77/1039626177.db2.gz BAWBLXQWVKKGKH-UHFFFAOYSA-N 1 2 336.501 4.187 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093090386 1039629221 /nfs/dbraw/zinc/62/92/21/1039629221.db2.gz GPWCOBPCDBFVLL-LLVKDONJSA-N 1 2 333.775 4.242 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093090386 1039629242 /nfs/dbraw/zinc/62/92/42/1039629242.db2.gz GPWCOBPCDBFVLL-LLVKDONJSA-N 1 2 333.775 4.242 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1nc2cccnc2s1)c1ccc(F)c(F)c1 ZINC000481617186 1039631611 /nfs/dbraw/zinc/63/16/11/1039631611.db2.gz ZLBBDPSTYHJGMW-INIZCTEOSA-N 1 2 331.391 4.377 20 30 EIEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000514128464 1039637147 /nfs/dbraw/zinc/63/71/47/1039637147.db2.gz JIEJIRSJEYPWAH-UHFFFAOYSA-N 1 2 336.435 4.400 20 30 EIEDLO N#Cc1cccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000551360824 1040238377 /nfs/dbraw/zinc/23/83/77/1040238377.db2.gz PRBPXLSQZPCXBG-UHFFFAOYSA-N 1 2 329.403 4.337 20 30 EIEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000551515681 1040371561 /nfs/dbraw/zinc/37/15/61/1040371561.db2.gz WMTWYNYUAHJQQU-UHFFFAOYSA-N 1 2 338.476 4.450 20 30 EIEDLO Cc1cc(F)ccc1N(CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000539449328 1040449559 /nfs/dbraw/zinc/44/95/59/1040449559.db2.gz IBLHBZXNFNTIBA-UHFFFAOYSA-N 1 2 348.425 4.299 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCCCCC ZINC000553892511 1040607077 /nfs/dbraw/zinc/60/70/77/1040607077.db2.gz SHFNTLZIMXASRB-CYBMUJFWSA-N 1 2 328.909 4.084 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCCCCC ZINC000553892511 1040607081 /nfs/dbraw/zinc/60/70/81/1040607081.db2.gz SHFNTLZIMXASRB-CYBMUJFWSA-N 1 2 328.909 4.084 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H](C)CO2)c1 ZINC000483948890 1041076541 /nfs/dbraw/zinc/07/65/41/1041076541.db2.gz BSTBWTKNBDXQKV-HRAATJIYSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H](C)CO2)c1 ZINC000483948890 1041076549 /nfs/dbraw/zinc/07/65/49/1041076549.db2.gz BSTBWTKNBDXQKV-HRAATJIYSA-N 1 2 338.426 4.276 20 30 EIEDLO N#CCCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000516056812 1041371485 /nfs/dbraw/zinc/37/14/85/1041371485.db2.gz CATLWXIWGVOXMP-UHFFFAOYSA-N 1 2 341.480 4.238 20 30 EIEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OCCC(C)C ZINC000538763745 1041536677 /nfs/dbraw/zinc/53/66/77/1041536677.db2.gz TYGWESLQJUSOKN-INIZCTEOSA-N 1 2 330.472 4.244 20 30 EIEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OCCC(C)C ZINC000538763745 1041536684 /nfs/dbraw/zinc/53/66/84/1041536684.db2.gz TYGWESLQJUSOKN-INIZCTEOSA-N 1 2 330.472 4.244 20 30 EIEDLO C=CCN(C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000425671625 1041588075 /nfs/dbraw/zinc/58/80/75/1041588075.db2.gz IPTUFLPUAPLYCT-UHFFFAOYSA-N 1 2 336.439 4.069 20 30 EIEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782345 1041751670 /nfs/dbraw/zinc/75/16/70/1041751670.db2.gz OLTJDGLZWQDKRD-HOTGVXAUSA-N 1 2 337.423 4.088 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2ccccc2)s1 ZINC000464097412 1041861557 /nfs/dbraw/zinc/86/15/57/1041861557.db2.gz ROASTWKXBMWGHP-UHFFFAOYSA-N 1 2 335.476 4.436 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccccc2)s1 ZINC000464097412 1041861563 /nfs/dbraw/zinc/86/15/63/1041861563.db2.gz ROASTWKXBMWGHP-UHFFFAOYSA-N 1 2 335.476 4.436 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Cl)cc1F ZINC000491616165 1042481721 /nfs/dbraw/zinc/48/17/21/1042481721.db2.gz ADTNAQXQUNDJEN-ORAYPTAESA-N 1 2 342.801 4.234 20 30 EIEDLO CCOc1ccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)cc1 ZINC000030537052 1042555467 /nfs/dbraw/zinc/55/54/67/1042555467.db2.gz WMMSLILVMGYNJB-UWJYYQICSA-N 1 2 333.435 4.208 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)c1cccc(C#N)c1 ZINC000184661734 1042858106 /nfs/dbraw/zinc/85/81/06/1042858106.db2.gz GXYPYXUHLOCKOK-OLZOCXBDSA-N 1 2 336.370 4.159 20 30 EIEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000347864271 1043254293 /nfs/dbraw/zinc/25/42/93/1043254293.db2.gz GCCRYEDZRJPYGM-UHFFFAOYSA-N 1 2 345.446 4.150 20 30 EIEDLO CC1CCC(OC2CC[NH+](Cc3cccc(F)c3C#N)CC2)CC1 ZINC000428223279 1043384310 /nfs/dbraw/zinc/38/43/10/1043384310.db2.gz JSPOYKXBIQMDCC-UHFFFAOYSA-N 1 2 330.447 4.257 20 30 EIEDLO FC(F)SCc1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730146735 1043456806 /nfs/dbraw/zinc/45/68/06/1043456806.db2.gz DQFJLLNINVRQEZ-UHFFFAOYSA-N 1 2 333.363 4.152 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568468 1044510619 /nfs/dbraw/zinc/51/06/19/1044510619.db2.gz KMURAVVNPPOSRY-ZDUSSCGKSA-N 1 2 334.489 4.184 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568468 1044510635 /nfs/dbraw/zinc/51/06/35/1044510635.db2.gz KMURAVVNPPOSRY-ZDUSSCGKSA-N 1 2 334.489 4.184 20 30 EIEDLO CC(C)COC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000543485561 1044699159 /nfs/dbraw/zinc/69/91/59/1044699159.db2.gz LQEJQAOGNARBOF-SFHVURJKSA-N 1 2 331.843 4.288 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccn(Cc2ccccc2)c1=S ZINC000914783341 1044769947 /nfs/dbraw/zinc/76/99/47/1044769947.db2.gz WXXRTRKHQCLQRB-UHFFFAOYSA-N 1 2 348.475 4.029 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1ccn(Cc2ccccc2)c1=S ZINC000914783341 1044769964 /nfs/dbraw/zinc/76/99/64/1044769964.db2.gz WXXRTRKHQCLQRB-UHFFFAOYSA-N 1 2 348.475 4.029 20 30 EIEDLO CCn1c2ccccc2n(C[N@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783269 1044770331 /nfs/dbraw/zinc/77/03/31/1044770331.db2.gz PCAWQMBCHKNWIB-UHFFFAOYSA-N 1 2 336.464 4.153 20 30 EIEDLO CCn1c2ccccc2n(C[N@@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783269 1044770344 /nfs/dbraw/zinc/77/03/44/1044770344.db2.gz PCAWQMBCHKNWIB-UHFFFAOYSA-N 1 2 336.464 4.153 20 30 EIEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439435837 1044870627 /nfs/dbraw/zinc/87/06/27/1044870627.db2.gz GBRYWWWLTUYKDS-UHFFFAOYSA-N 1 2 338.842 4.123 20 30 EIEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331172565 1044932254 /nfs/dbraw/zinc/93/22/54/1044932254.db2.gz OPDVNYQDPFKSST-KGLIPLIRSA-N 1 2 339.361 4.045 20 30 EIEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331172565 1044932265 /nfs/dbraw/zinc/93/22/65/1044932265.db2.gz OPDVNYQDPFKSST-KGLIPLIRSA-N 1 2 339.361 4.045 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000025434582 1044975048 /nfs/dbraw/zinc/97/50/48/1044975048.db2.gz XHXZJPORLOSUER-UHFFFAOYSA-N 1 2 348.425 4.132 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000025434582 1044975058 /nfs/dbraw/zinc/97/50/58/1044975058.db2.gz XHXZJPORLOSUER-UHFFFAOYSA-N 1 2 348.425 4.132 20 30 EIEDLO CCOc1cccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443794 1045008298 /nfs/dbraw/zinc/00/82/98/1045008298.db2.gz KWKHIVZFQLNNBX-FPLPWBNLSA-N 1 2 326.783 4.283 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209503 1045187188 /nfs/dbraw/zinc/18/71/88/1045187188.db2.gz YXQZXEABULGODL-INIZCTEOSA-N 1 2 344.528 4.125 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209503 1045187195 /nfs/dbraw/zinc/18/71/95/1045187195.db2.gz YXQZXEABULGODL-INIZCTEOSA-N 1 2 344.528 4.125 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1nc(-c2ccccc2)cs1 ZINC000740765471 1045218330 /nfs/dbraw/zinc/21/83/30/1045218330.db2.gz CDTBFPNOPYAUAB-MDZDMXLPSA-N 1 2 331.400 4.354 20 30 EIEDLO C=C(Cl)COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000740764958 1045220535 /nfs/dbraw/zinc/22/05/35/1045220535.db2.gz LLAYXNLZFHYWQA-YFHOEESVSA-N 1 2 338.794 4.362 20 30 EIEDLO COC[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611119146 1045253492 /nfs/dbraw/zinc/25/34/92/1045253492.db2.gz XCNPDEGWFURCQJ-KRWDZBQOSA-N 1 2 334.341 4.054 20 30 EIEDLO N#C[C@H](Cc1ccccc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000611131322 1045255398 /nfs/dbraw/zinc/25/53/98/1045255398.db2.gz PGLTUJNHQDDMAT-IBGZPJMESA-N 1 2 340.430 4.149 20 30 EIEDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611390549 1045297763 /nfs/dbraw/zinc/29/77/63/1045297763.db2.gz GWUCDKUJVIVNDO-SFTDATJTSA-N 1 2 342.446 4.048 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCC#Cc2ccccc2)c1 ZINC000790522517 1045525119 /nfs/dbraw/zinc/52/51/19/1045525119.db2.gz XPOOLIUHUCWBDZ-UHFFFAOYSA-N 1 2 347.487 4.239 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCC#Cc2ccccc2)c1 ZINC000790522517 1045525131 /nfs/dbraw/zinc/52/51/31/1045525131.db2.gz XPOOLIUHUCWBDZ-UHFFFAOYSA-N 1 2 347.487 4.239 20 30 EIEDLO C=CCCC[N@@H+](C)Cc1c(Br)cncc1Br ZINC000560364305 1045850339 /nfs/dbraw/zinc/85/03/39/1045850339.db2.gz UBVOLPNXWRWMSP-UHFFFAOYSA-N 1 2 348.082 4.005 20 30 EIEDLO C=CCCC[N@H+](C)Cc1c(Br)cncc1Br ZINC000560364305 1045850346 /nfs/dbraw/zinc/85/03/46/1045850346.db2.gz UBVOLPNXWRWMSP-UHFFFAOYSA-N 1 2 348.082 4.005 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCc3nc(-c4ccccc4)cs3)c2)CC1 ZINC001170246038 1045949342 /nfs/dbraw/zinc/94/93/42/1045949342.db2.gz RUWUAQKNAHECIE-UHFFFAOYSA-N 1 2 332.432 4.372 20 30 EIEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncc(Cl)cc1Cl ZINC000792627076 1046004627 /nfs/dbraw/zinc/00/46/27/1046004627.db2.gz HOVVPNYYFTZYHP-UHFFFAOYSA-N 1 2 335.238 4.192 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(OC(F)(F)F)cc1 ZINC000769606703 1046030087 /nfs/dbraw/zinc/03/00/87/1046030087.db2.gz DEYPSCPMXCSULI-RMKNXTFCSA-N 1 2 332.281 4.129 20 30 EIEDLO COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C\c1cccc2[nH+]ccn21)CC3 ZINC000769614147 1046032782 /nfs/dbraw/zinc/03/27/82/1046032782.db2.gz HYJKIJHHMJGAIS-QBFSEMIESA-N 1 2 343.386 4.037 20 30 EIEDLO CCOc1ccc(Cl)cc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000769611462 1046034418 /nfs/dbraw/zinc/03/44/18/1046034418.db2.gz ZVVAUJMDUGAPOL-FPLPWBNLSA-N 1 2 326.783 4.283 20 30 EIEDLO CC1(C)Cc2cccc(CNc3[nH+]cccc3OCCCC#N)c2O1 ZINC000162232550 1046157976 /nfs/dbraw/zinc/15/79/76/1046157976.db2.gz LITZWVRRWXGXEN-UHFFFAOYSA-N 1 2 337.423 4.090 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(OC(F)F)cc3)n2c1 ZINC000771843146 1046499570 /nfs/dbraw/zinc/49/95/70/1046499570.db2.gz BEUDYKFEQSJQIV-VMPITWQZSA-N 1 2 328.318 4.140 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc(-c2ccccc2)nc1 ZINC000536655746 1046601004 /nfs/dbraw/zinc/60/10/04/1046601004.db2.gz XWUUPJSSMWARIZ-UHFFFAOYSA-N 1 2 340.430 4.203 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(-c2ccccc2)nc1 ZINC000536655746 1046601014 /nfs/dbraw/zinc/60/10/14/1046601014.db2.gz XWUUPJSSMWARIZ-UHFFFAOYSA-N 1 2 340.430 4.203 20 30 EIEDLO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000459396729 1046616665 /nfs/dbraw/zinc/61/66/65/1046616665.db2.gz CWYDQNGLIDMLEL-LBPRGKRZSA-N 1 2 335.816 4.422 20 30 EIEDLO Cc1cc(Nc2nc(Cl)c(C#N)s2)c[nH+]c1N1CCCC[C@H]1C ZINC000804602559 1046648524 /nfs/dbraw/zinc/64/85/24/1046648524.db2.gz AXFPHRNXYRXAKS-LLVKDONJSA-N 1 2 347.875 4.494 20 30 EIEDLO Cc1cc(NC(=[NH2+])c2ccc(Br)cc2F)ccc1CC#N ZINC001170462861 1046751195 /nfs/dbraw/zinc/75/11/95/1046751195.db2.gz MHQQNDPQMIQEPU-UHFFFAOYSA-N 1 2 346.203 4.400 20 30 EIEDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459531891 1046757209 /nfs/dbraw/zinc/75/72/09/1046757209.db2.gz NBNUVBWYWNAUKA-GOSISDBHSA-N 1 2 339.395 4.058 20 30 EIEDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459531891 1046757226 /nfs/dbraw/zinc/75/72/26/1046757226.db2.gz NBNUVBWYWNAUKA-GOSISDBHSA-N 1 2 339.395 4.058 20 30 EIEDLO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000917167050 1046795863 /nfs/dbraw/zinc/79/58/63/1046795863.db2.gz QMKMGWRPPLZOMK-UHFFFAOYSA-N 1 2 339.464 4.460 20 30 EIEDLO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000917167050 1046795885 /nfs/dbraw/zinc/79/58/85/1046795885.db2.gz QMKMGWRPPLZOMK-UHFFFAOYSA-N 1 2 339.464 4.460 20 30 EIEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NOCc2cccnc2)CC1 ZINC000746585821 1046839431 /nfs/dbraw/zinc/83/94/31/1046839431.db2.gz LONGGVOJJNUBLN-UHFFFAOYSA-N 1 2 347.821 4.043 20 30 EIEDLO CCCCCCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000917343355 1046848841 /nfs/dbraw/zinc/84/88/41/1046848841.db2.gz YUEXSXUZKRHZDG-UHFFFAOYSA-N 1 2 331.504 4.439 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746637813 1046913014 /nfs/dbraw/zinc/91/30/14/1046913014.db2.gz SEFIEBRKVIZXAI-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746637813 1046913025 /nfs/dbraw/zinc/91/30/25/1046913025.db2.gz SEFIEBRKVIZXAI-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239955 1047139866 /nfs/dbraw/zinc/13/98/66/1047139866.db2.gz DBLQVLIFCXMSMK-QGZVFWFLSA-N 1 2 341.499 4.199 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239955 1047139856 /nfs/dbraw/zinc/13/98/56/1047139856.db2.gz DBLQVLIFCXMSMK-QGZVFWFLSA-N 1 2 341.499 4.199 20 30 EIEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000790193051 1047533562 /nfs/dbraw/zinc/53/35/62/1047533562.db2.gz PUHGTTAXOSEWNX-UHFFFAOYSA-N 1 2 326.419 4.356 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001143722471 1048175317 /nfs/dbraw/zinc/17/53/17/1048175317.db2.gz BADRJHUEJTXSQZ-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001143731425 1048177953 /nfs/dbraw/zinc/17/79/53/1048177953.db2.gz WGPSNUFEEBRYBM-UHFFFAOYSA-N 1 2 338.838 4.181 20 30 EIEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144051661 1048383239 /nfs/dbraw/zinc/38/32/39/1048383239.db2.gz RIKIYUHVVGQUIH-UHFFFAOYSA-N 1 2 330.350 4.110 20 30 EIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144051661 1048383250 /nfs/dbraw/zinc/38/32/50/1048383250.db2.gz RIKIYUHVVGQUIH-UHFFFAOYSA-N 1 2 330.350 4.110 20 30 EIEDLO C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144075445 1048408011 /nfs/dbraw/zinc/40/80/11/1048408011.db2.gz ORPJGVTUGTXUCL-HNNXBMFYSA-N 1 2 343.298 4.315 20 30 EIEDLO C=CCCCCCCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000812495972 1049494669 /nfs/dbraw/zinc/49/46/69/1049494669.db2.gz ZTYGOKMXEROSLJ-MSOLQXFVSA-N 1 2 332.492 4.002 20 30 EIEDLO CC1(C)CCCC[C@@H]1N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000773123977 1049594940 /nfs/dbraw/zinc/59/49/40/1049594940.db2.gz DJRHRRJJNRMQMC-ZDUSSCGKSA-N 1 2 340.924 4.289 20 30 EIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc(Cl)c(N)c(Cl)c3)n21 ZINC000773159922 1049622036 /nfs/dbraw/zinc/62/20/36/1049622036.db2.gz KADVZLBSYAJMOQ-WAYWQWQTSA-N 1 2 346.217 4.428 20 30 EIEDLO Cc1cccc2c1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171551780 1049753450 /nfs/dbraw/zinc/75/34/50/1049753450.db2.gz RTHOCLLQNVCXCE-LLVKDONJSA-N 1 2 343.286 4.275 20 30 EIEDLO CCCCCCCC[C@@H](CCC)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001173309984 1050403985 /nfs/dbraw/zinc/40/39/85/1050403985.db2.gz NOUKKMWIMPJLDS-QZTJIDSGSA-N 1 2 337.508 4.018 20 30 EIEDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173324947 1050418165 /nfs/dbraw/zinc/41/81/65/1050418165.db2.gz YDVMOKZRPHETIK-KVZIAJEVSA-N 1 2 342.483 4.001 20 30 EIEDLO Cc1ccc(N2CC[N@H+](Cc3cccc(F)c3C#N)[C@H](C)C2)cc1C ZINC001180165109 1050910131 /nfs/dbraw/zinc/91/01/31/1050910131.db2.gz DLEIOKBHTFHKGB-QGZVFWFLSA-N 1 2 337.442 4.025 20 30 EIEDLO Cc1ccc(N2CC[N@@H+](Cc3cccc(F)c3C#N)[C@H](C)C2)cc1C ZINC001180165109 1050910147 /nfs/dbraw/zinc/91/01/47/1050910147.db2.gz DLEIOKBHTFHKGB-QGZVFWFLSA-N 1 2 337.442 4.025 20 30 EIEDLO CC(=O)Nc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1C#N ZINC001174382703 1050946450 /nfs/dbraw/zinc/94/64/50/1050946450.db2.gz CHGWRUUXOWIJIH-UHFFFAOYSA-N 1 2 333.395 4.191 20 30 EIEDLO CCOc1c(Cl)cc([NH+]=C(NO)c2ccccc2N)cc1Cl ZINC001174535720 1051031541 /nfs/dbraw/zinc/03/15/41/1051031541.db2.gz UVERRWYCXBIQMG-UHFFFAOYSA-N 1 2 340.210 4.031 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c2cccnc12 ZINC001174525139 1051056082 /nfs/dbraw/zinc/05/60/82/1051056082.db2.gz QMUFZSSGVWAHEW-UHFFFAOYSA-N 1 2 329.407 4.235 20 30 EIEDLO N#Cc1cc(Br)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351617 1051543806 /nfs/dbraw/zinc/54/38/06/1051543806.db2.gz KEAFZGJFEXULKC-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO COC(=O)c1ccc(N[NH+]=C2CCCNc3ccccc32)cc1Cl ZINC000774410074 1051583751 /nfs/dbraw/zinc/58/37/51/1051583751.db2.gz OKSVQPQGFNWHDR-UHFFFAOYSA-N 1 2 343.814 4.149 20 30 EIEDLO Cc1ccc2c(C[N@@H+](CCC#N)CCC(C)C)cc(=O)oc2c1C ZINC000072690919 1052568986 /nfs/dbraw/zinc/56/89/86/1052568986.db2.gz BXGXJZKPXRUOFI-UHFFFAOYSA-N 1 2 326.440 4.172 20 30 EIEDLO Cc1ccc2c(C[N@H+](CCC#N)CCC(C)C)cc(=O)oc2c1C ZINC000072690919 1052568993 /nfs/dbraw/zinc/56/89/93/1052568993.db2.gz BXGXJZKPXRUOFI-UHFFFAOYSA-N 1 2 326.440 4.172 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184211979 1052995206 /nfs/dbraw/zinc/99/52/06/1052995206.db2.gz IXBZCRAKINTYIE-CYBMUJFWSA-N 1 2 347.509 4.019 20 30 EIEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000184687107 1053005018 /nfs/dbraw/zinc/00/50/18/1053005018.db2.gz FAQCDWTVMUWEFZ-LBPRGKRZSA-N 1 2 338.398 4.427 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137526421 1053211219 /nfs/dbraw/zinc/21/12/19/1053211219.db2.gz OIJKKRYCJLRQQW-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137526421 1053211242 /nfs/dbraw/zinc/21/12/42/1053211242.db2.gz OIJKKRYCJLRQQW-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367268 1053383886 /nfs/dbraw/zinc/38/38/86/1053383886.db2.gz HAZGDXWZASWCOU-LBPRGKRZSA-N 1 2 329.787 4.313 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367268 1053383901 /nfs/dbraw/zinc/38/39/01/1053383901.db2.gz HAZGDXWZASWCOU-LBPRGKRZSA-N 1 2 329.787 4.313 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000852332457 1053570475 /nfs/dbraw/zinc/57/04/75/1053570475.db2.gz RUKXEIQKTTVROP-IBGZPJMESA-N 1 2 327.378 4.077 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000852332457 1053570480 /nfs/dbraw/zinc/57/04/80/1053570480.db2.gz RUKXEIQKTTVROP-IBGZPJMESA-N 1 2 327.378 4.077 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338945106 1053579167 /nfs/dbraw/zinc/57/91/67/1053579167.db2.gz NRIROBHTMNWBBP-UHFFFAOYSA-N 1 2 339.487 4.036 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(-c2ccccn2)c1C ZINC000338945106 1053579178 /nfs/dbraw/zinc/57/91/78/1053579178.db2.gz NRIROBHTMNWBBP-UHFFFAOYSA-N 1 2 339.487 4.036 20 30 EIEDLO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866242515 1053662400 /nfs/dbraw/zinc/66/24/00/1053662400.db2.gz MKJDRMBBUAXMLS-KLHJMIIUSA-N 1 2 336.435 4.082 20 30 EIEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC)c(OC)c1 ZINC000866357138 1053702434 /nfs/dbraw/zinc/70/24/34/1053702434.db2.gz HAMUGUQPUBULDH-SUMWQHHRSA-N 1 2 340.423 4.083 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776802488 1053898903 /nfs/dbraw/zinc/89/89/03/1053898903.db2.gz OFESWJJOBYZGQJ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776802488 1053898906 /nfs/dbraw/zinc/89/89/06/1053898906.db2.gz OFESWJJOBYZGQJ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO C=CCc1cc(C[NH2+]Cc2csc(C3CC3)n2)cc(OC)c1OC ZINC000113336970 1053923693 /nfs/dbraw/zinc/92/36/93/1053923693.db2.gz HIQDZWPWVQULFE-UHFFFAOYSA-N 1 2 344.480 4.056 20 30 EIEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000775805927 1054030966 /nfs/dbraw/zinc/03/09/66/1054030966.db2.gz IGKWNOQGQQEFTE-COXVUDFISA-N 1 2 344.842 4.135 20 30 EIEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123662658 1054219841 /nfs/dbraw/zinc/21/98/41/1054219841.db2.gz YQJYRNFZAINFGE-UHFFFAOYSA-N 1 2 342.874 4.385 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c[nH+]c12 ZINC000125215944 1054744064 /nfs/dbraw/zinc/74/40/64/1054744064.db2.gz FBNDYUPQGRISGF-FNORWQNLSA-N 1 2 341.754 4.100 20 30 EIEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)ccc1SC ZINC000125364428 1054779783 /nfs/dbraw/zinc/77/97/83/1054779783.db2.gz YLKQYTUSUGLEJC-BQYQJAHWSA-N 1 2 338.432 4.269 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(-c2ccncc2)c1 ZINC000125555905 1054812798 /nfs/dbraw/zinc/81/27/98/1054812798.db2.gz WEHTZMWDOSEAMZ-BQYQJAHWSA-N 1 2 325.371 4.292 20 30 EIEDLO CC[N@H+](Cc1ncccc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000877991815 1055171645 /nfs/dbraw/zinc/17/16/45/1055171645.db2.gz UGHHFMZCXKQYSS-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1ncccc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000877991815 1055171648 /nfs/dbraw/zinc/17/16/48/1055171648.db2.gz UGHHFMZCXKQYSS-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000878720475 1055380452 /nfs/dbraw/zinc/38/04/52/1055380452.db2.gz PEYCCBYIHOYQGN-PMACEKPBSA-N 1 2 337.467 4.187 20 30 EIEDLO N#Cc1cc(NCc2ccccc2-n2cc[nH+]c2)ccc1C(F)(F)F ZINC000302644575 1056059382 /nfs/dbraw/zinc/05/93/82/1056059382.db2.gz IZAKAERINXNZGW-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302708839 1056064699 /nfs/dbraw/zinc/06/46/99/1056064699.db2.gz YXPGJFGUGREHAX-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)cc2)c1 ZINC000111191411 1056769387 /nfs/dbraw/zinc/76/93/87/1056769387.db2.gz NCJSXUKUTLGGEO-UHFFFAOYSA-N 1 2 348.475 4.259 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)cc2)c1 ZINC000111191411 1056769395 /nfs/dbraw/zinc/76/93/95/1056769395.db2.gz NCJSXUKUTLGGEO-UHFFFAOYSA-N 1 2 348.475 4.259 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1F ZINC000737444166 1058352679 /nfs/dbraw/zinc/35/26/79/1058352679.db2.gz OEPPKSXPJRKUIE-SNAWJCMRSA-N 1 2 330.746 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](C)Cc1ccsc1 ZINC000743274339 1058916599 /nfs/dbraw/zinc/91/65/99/1058916599.db2.gz YOQMVRCXLKNEAS-YBFXNURJSA-N 1 2 340.492 4.061 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000743274339 1058916618 /nfs/dbraw/zinc/91/66/18/1058916618.db2.gz YOQMVRCXLKNEAS-YBFXNURJSA-N 1 2 340.492 4.061 20 30 EIEDLO CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001168826271 1060435119 /nfs/dbraw/zinc/43/51/19/1060435119.db2.gz RTLOZPIECSIVKN-QGZVFWFLSA-N 1 2 327.359 4.155 20 30 EIEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000766665005 1060775194 /nfs/dbraw/zinc/77/51/94/1060775194.db2.gz BBELGPRENBFDNK-SECBINFHSA-N 1 2 330.400 4.362 20 30 EIEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000766665005 1060775215 /nfs/dbraw/zinc/77/52/15/1060775215.db2.gz BBELGPRENBFDNK-SECBINFHSA-N 1 2 330.400 4.362 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000459375062 1032095757 /nfs/dbraw/zinc/09/57/57/1032095757.db2.gz UTBFAKUNVZUJLF-IBGZPJMESA-N 1 2 339.370 4.237 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000533065537 1032467558 /nfs/dbraw/zinc/46/75/58/1032467558.db2.gz ZNPSRXKKVAFMHE-OAQYLSRUSA-N 1 2 347.437 4.291 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000533065537 1032467570 /nfs/dbraw/zinc/46/75/70/1032467570.db2.gz ZNPSRXKKVAFMHE-OAQYLSRUSA-N 1 2 347.437 4.291 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175457431 1020318289 /nfs/dbraw/zinc/31/82/89/1020318289.db2.gz VZVXUOASVADDCP-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175457431 1020318305 /nfs/dbraw/zinc/31/83/05/1020318305.db2.gz VZVXUOASVADDCP-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Br)cc1F ZINC000255119723 1021035488 /nfs/dbraw/zinc/03/54/88/1021035488.db2.gz HLWALVQGJDNGNW-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728748651 1022825369 /nfs/dbraw/zinc/82/53/69/1022825369.db2.gz XMLKELFRFVJOBH-ROUUACIJSA-N 1 2 334.508 4.226 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728748647 1022826361 /nfs/dbraw/zinc/82/63/61/1022826361.db2.gz XMLKELFRFVJOBH-MSOLQXFVSA-N 1 2 334.508 4.226 20 30 EIEDLO Cc1cc2c(s1)N(c1cccc(C#N)n1)c1ccccc1NC2=[NH2+] ZINC001167463438 1023224763 /nfs/dbraw/zinc/22/47/63/1023224763.db2.gz QLDVRYZWPQMEON-UHFFFAOYSA-N 1 2 331.404 4.143 20 30 EIEDLO CC(=O)Nc1ccc(CC/[NH+]=C\c2c(O)ccc3ccccc32)cc1 ZINC000728785519 1023540888 /nfs/dbraw/zinc/54/08/88/1023540888.db2.gz JZEPGTFZXLIDKD-HMAPJEAMSA-N 1 2 332.403 4.165 20 30 EIEDLO COc1cc(C[N@H+](C)Cc2cc(F)ccc2C#N)ccc1SC ZINC000158980709 1023546548 /nfs/dbraw/zinc/54/65/48/1023546548.db2.gz UCTHUZRFHPTLIG-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO COc1cc(C[N@@H+](C)Cc2cc(F)ccc2C#N)ccc1SC ZINC000158980709 1023546556 /nfs/dbraw/zinc/54/65/56/1023546556.db2.gz UCTHUZRFHPTLIG-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)ccc1SC ZINC000255362831 1023607015 /nfs/dbraw/zinc/60/70/15/1023607015.db2.gz QMVDCAYAODUEMG-SREVYHEPSA-N 1 2 338.432 4.269 20 30 EIEDLO C[C@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)n1cc[nH+]c1 ZINC001126053742 1024013935 /nfs/dbraw/zinc/01/39/35/1024013935.db2.gz OVVSHJARSBLVRW-OAHLLOKOSA-N 1 2 346.390 4.137 20 30 EIEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C2CC2)o1 ZINC000610613495 1024310919 /nfs/dbraw/zinc/31/09/19/1024310919.db2.gz KPYPXAJEJZCRJB-UHFFFAOYSA-N 1 2 332.350 4.226 20 30 EIEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C2CC2)o1 ZINC000610613495 1024310941 /nfs/dbraw/zinc/31/09/41/1024310941.db2.gz KPYPXAJEJZCRJB-UHFFFAOYSA-N 1 2 332.350 4.226 20 30 EIEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(Cl)c1 ZINC000341970699 1025015622 /nfs/dbraw/zinc/01/56/22/1025015622.db2.gz NYVPEPJWRFCKSV-UHFFFAOYSA-N 1 2 331.803 4.038 20 30 EIEDLO C=CCOc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342074172 1025096020 /nfs/dbraw/zinc/09/60/20/1025096020.db2.gz IXLZOQFIUCMFGV-LJQANCHMSA-N 1 2 347.418 4.135 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)ccn1 ZINC000610991706 1025218736 /nfs/dbraw/zinc/21/87/36/1025218736.db2.gz RONHSWDZEGTWHM-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)ccn1 ZINC000610991706 1025218744 /nfs/dbraw/zinc/21/87/44/1025218744.db2.gz RONHSWDZEGTWHM-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000506933235 1026541144 /nfs/dbraw/zinc/54/11/44/1026541144.db2.gz VPNJEQMDNVYSOH-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000506933235 1026541150 /nfs/dbraw/zinc/54/11/50/1026541150.db2.gz VPNJEQMDNVYSOH-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1Cl ZINC000344690204 1026543311 /nfs/dbraw/zinc/54/33/11/1026543311.db2.gz WILSGRSTWVJXLA-UHFFFAOYSA-N 1 2 337.876 4.170 20 30 EIEDLO C=CCC(CC=C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000124484860 1027809570 /nfs/dbraw/zinc/80/95/70/1027809570.db2.gz DWLQOKIIBDTQBW-IAGOWNOFSA-N 1 2 342.483 4.003 20 30 EIEDLO C[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1=O ZINC000328903418 1027821896 /nfs/dbraw/zinc/82/18/96/1027821896.db2.gz HWDZMVAWCSLNHH-RYUDHWBXSA-N 1 2 331.803 4.119 20 30 EIEDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(F)c1C#N ZINC000428369328 1027875445 /nfs/dbraw/zinc/87/54/45/1027875445.db2.gz IEQZLUVCCDQCGT-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(F)c1C#N ZINC000428369328 1027875458 /nfs/dbraw/zinc/87/54/58/1027875458.db2.gz IEQZLUVCCDQCGT-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522537985 1027979256 /nfs/dbraw/zinc/97/92/56/1027979256.db2.gz QGQXBFXRAOYXJT-UHFFFAOYSA-N 1 2 346.814 4.445 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522537985 1027979267 /nfs/dbraw/zinc/97/92/67/1027979267.db2.gz QGQXBFXRAOYXJT-UHFFFAOYSA-N 1 2 346.814 4.445 20 30 EIEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329823976 1028129397 /nfs/dbraw/zinc/12/93/97/1028129397.db2.gz QNPFTIYLEZRJGT-JKSUJKDBSA-N 1 2 330.476 4.006 20 30 EIEDLO C=C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000155171028 1028354278 /nfs/dbraw/zinc/35/42/78/1028354278.db2.gz SVGZGSIBRAGWFI-IBGZPJMESA-N 1 2 349.478 4.048 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000161707908 1028724663 /nfs/dbraw/zinc/72/46/63/1028724663.db2.gz UJHNLKHHRPRFJU-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000161707908 1028724678 /nfs/dbraw/zinc/72/46/78/1028724678.db2.gz UJHNLKHHRPRFJU-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346970242 1028835606 /nfs/dbraw/zinc/83/56/06/1028835606.db2.gz GFJZGZPAEJNNLK-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346970242 1028835609 /nfs/dbraw/zinc/83/56/09/1028835609.db2.gz GFJZGZPAEJNNLK-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C[NH+](C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000157696656 1029174766 /nfs/dbraw/zinc/17/47/66/1029174766.db2.gz PCFCWEGIRXZHGB-UHFFFAOYSA-N 1 2 345.450 4.142 20 30 EIEDLO Cc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc[nH+]1 ZINC000114690605 1029338906 /nfs/dbraw/zinc/33/89/06/1029338906.db2.gz LGSSUJNISIZAFT-UHFFFAOYSA-N 1 2 343.386 4.093 20 30 EIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000428472922 1029711784 /nfs/dbraw/zinc/71/17/84/1029711784.db2.gz KHDHKPLSRYVHJH-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(Br)c1 ZINC000162270100 1030076361 /nfs/dbraw/zinc/07/63/61/1030076361.db2.gz NOAAEWRKNLAJRZ-UHFFFAOYSA-N 1 2 346.228 4.139 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000127488748 1030127801 /nfs/dbraw/zinc/12/78/01/1030127801.db2.gz RFKLWJSPRJQVMF-GJZGRUSLSA-N 1 2 332.407 4.329 20 30 EIEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428489642 1030160269 /nfs/dbraw/zinc/16/02/69/1030160269.db2.gz WJZVBEHPCXCLNL-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428489642 1030160285 /nfs/dbraw/zinc/16/02/85/1030160285.db2.gz WJZVBEHPCXCLNL-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000127582739 1030799081 /nfs/dbraw/zinc/79/90/81/1030799081.db2.gz PHHKZDJNOSMPGR-UHFFFAOYSA-N 1 2 333.775 4.244 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000127582739 1030799095 /nfs/dbraw/zinc/79/90/95/1030799095.db2.gz PHHKZDJNOSMPGR-UHFFFAOYSA-N 1 2 333.775 4.244 20 30 EIEDLO Cc1cccn2cc(CCNc3ccc(C#N)c(C(F)(F)F)c3)[nH+]c12 ZINC000610468909 1030816165 /nfs/dbraw/zinc/81/61/65/1030816165.db2.gz UFACEMDCQSOBAP-UHFFFAOYSA-N 1 2 344.340 4.188 20 30 EIEDLO CC(C)([NH2+]Cc1ccccc1C#N)c1ccccc1Br ZINC000179329459 1030913095 /nfs/dbraw/zinc/91/30/95/1030913095.db2.gz GAWISTJZTXIMAP-UHFFFAOYSA-N 1 2 329.241 4.346 20 30 EIEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000364790820 1031409397 /nfs/dbraw/zinc/40/93/97/1031409397.db2.gz NRPNOMPCMCIGIO-ZIAGYGMSSA-N 1 2 348.406 4.029 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824192 1031540113 /nfs/dbraw/zinc/54/01/13/1031540113.db2.gz BIOKVQJSMQUNOD-OAHLLOKOSA-N 1 2 336.464 4.192 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824192 1031540121 /nfs/dbraw/zinc/54/01/21/1031540121.db2.gz BIOKVQJSMQUNOD-OAHLLOKOSA-N 1 2 336.464 4.192 20 30 EIEDLO Cc1nc([C@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000449245834 1031580987 /nfs/dbraw/zinc/58/09/87/1031580987.db2.gz CDQCALYIMVHBBE-UPTPFMHGSA-N 1 2 344.846 4.183 20 30 EIEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000612585419 1031681697 /nfs/dbraw/zinc/68/16/97/1031681697.db2.gz CIERRVRCCTYBBW-UHFFFAOYSA-N 1 2 333.229 4.348 20 30 EIEDLO CC(C)(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000459345765 1031864929 /nfs/dbraw/zinc/86/49/29/1031864929.db2.gz DAAJZFDSTHMBLW-GOSISDBHSA-N 1 2 341.386 4.483 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000614171030 1033561163 /nfs/dbraw/zinc/56/11/63/1033561163.db2.gz BQNXABFRQPDPFH-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000614171030 1033561179 /nfs/dbraw/zinc/56/11/79/1033561179.db2.gz BQNXABFRQPDPFH-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000614185521 1033646734 /nfs/dbraw/zinc/64/67/34/1033646734.db2.gz YBJFMFTZUCBFOQ-CYBMUJFWSA-N 1 2 326.444 4.019 20 30 EIEDLO N#CCCC[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000433017958 1033664753 /nfs/dbraw/zinc/66/47/53/1033664753.db2.gz DNLFUICCORTEOY-MRXNPFEDSA-N 1 2 338.436 4.323 20 30 EIEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000614329920 1034223687 /nfs/dbraw/zinc/22/36/87/1034223687.db2.gz SATIWGFFWOFJIL-OAHLLOKOSA-N 1 2 332.875 4.066 20 30 EIEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000614329920 1034223701 /nfs/dbraw/zinc/22/37/01/1034223701.db2.gz SATIWGFFWOFJIL-OAHLLOKOSA-N 1 2 332.875 4.066 20 30 EIEDLO C=C1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430003280 1034848380 /nfs/dbraw/zinc/84/83/80/1034848380.db2.gz HBZWHFUNYNNYOQ-LJQANCHMSA-N 1 2 331.419 4.478 20 30 EIEDLO CC(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1F ZINC000595693651 1035767116 /nfs/dbraw/zinc/76/71/16/1035767116.db2.gz RVCOQYYETIHKBI-GOSISDBHSA-N 1 2 327.359 4.092 20 30 EIEDLO CC1(C)C[C@@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000595910849 1035804361 /nfs/dbraw/zinc/80/43/61/1035804361.db2.gz SWNYVJZAKJCZHL-OAQYLSRUSA-N 1 2 344.418 4.023 20 30 EIEDLO CC(C)(C)n1cc(C[NH+]2CC(CC#N)C2)c(-c2ccccc2Cl)n1 ZINC000597194381 1036140025 /nfs/dbraw/zinc/14/00/25/1036140025.db2.gz SCTVCPIGZGGORJ-UHFFFAOYSA-N 1 2 342.874 4.304 20 30 EIEDLO C=C(Cl)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016379875 1036303753 /nfs/dbraw/zinc/30/37/53/1036303753.db2.gz MEPIENFHGDHVHK-FQEVSTJZSA-N 1 2 343.854 4.404 20 30 EIEDLO C=C(Cl)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016379875 1036303776 /nfs/dbraw/zinc/30/37/76/1036303776.db2.gz MEPIENFHGDHVHK-FQEVSTJZSA-N 1 2 343.854 4.404 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000602446390 1036452073 /nfs/dbraw/zinc/45/20/73/1036452073.db2.gz AWWMWFAITUBUQY-LBPRGKRZSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000602446390 1036452081 /nfs/dbraw/zinc/45/20/81/1036452081.db2.gz AWWMWFAITUBUQY-LBPRGKRZSA-N 1 2 346.272 4.228 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486554 1036461844 /nfs/dbraw/zinc/46/18/44/1036461844.db2.gz UHOKDJWIGKMJGL-WMZOPIPTSA-N 1 2 327.378 4.291 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486554 1036461856 /nfs/dbraw/zinc/46/18/56/1036461856.db2.gz UHOKDJWIGKMJGL-WMZOPIPTSA-N 1 2 327.378 4.291 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486551 1036463425 /nfs/dbraw/zinc/46/34/25/1036463425.db2.gz UHOKDJWIGKMJGL-AEFFLSMTSA-N 1 2 327.378 4.291 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486551 1036463440 /nfs/dbraw/zinc/46/34/40/1036463440.db2.gz UHOKDJWIGKMJGL-AEFFLSMTSA-N 1 2 327.378 4.291 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000602596692 1036505983 /nfs/dbraw/zinc/50/59/83/1036505983.db2.gz MVGXKVJVNOJWKI-XJKSGUPXSA-N 1 2 326.362 4.019 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000602596692 1036505997 /nfs/dbraw/zinc/50/59/97/1036505997.db2.gz MVGXKVJVNOJWKI-XJKSGUPXSA-N 1 2 326.362 4.019 20 30 EIEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980361 1036688812 /nfs/dbraw/zinc/68/88/12/1036688812.db2.gz PHRWUTZWOJJHBP-CRAIPNDOSA-N 1 2 340.858 4.230 20 30 EIEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980361 1036688824 /nfs/dbraw/zinc/68/88/24/1036688824.db2.gz PHRWUTZWOJJHBP-CRAIPNDOSA-N 1 2 340.858 4.230 20 30 EIEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815721 1036733042 /nfs/dbraw/zinc/73/30/42/1036733042.db2.gz MKNFPVRIGSPHFP-FOIQADDNSA-N 1 2 329.488 4.033 20 30 EIEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815721 1036733061 /nfs/dbraw/zinc/73/30/61/1036733061.db2.gz MKNFPVRIGSPHFP-FOIQADDNSA-N 1 2 329.488 4.033 20 30 EIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000589990546 1036927227 /nfs/dbraw/zinc/92/72/27/1036927227.db2.gz YXDPRFFBZKEHJS-UHFFFAOYSA-N 1 2 342.389 4.018 20 30 EIEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272891677 1037317770 /nfs/dbraw/zinc/31/77/70/1037317770.db2.gz DWEHOGMQSFJVBL-OAHLLOKOSA-N 1 2 326.362 4.019 20 30 EIEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272891677 1037317795 /nfs/dbraw/zinc/31/77/95/1037317795.db2.gz DWEHOGMQSFJVBL-OAHLLOKOSA-N 1 2 326.362 4.019 20 30 EIEDLO C=C(Cl)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000045965483 1037593544 /nfs/dbraw/zinc/59/35/44/1037593544.db2.gz VBTQFWGEVDHGDV-UHFFFAOYSA-N 1 2 348.903 4.098 20 30 EIEDLO C=CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000606755895 1038238798 /nfs/dbraw/zinc/23/87/98/1038238798.db2.gz LAHOCHYSKYKYHK-UHFFFAOYSA-N 1 2 348.903 4.185 20 30 EIEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594496023 1038346466 /nfs/dbraw/zinc/34/64/66/1038346466.db2.gz XHKOBSHAGVLYRG-HXUWFJFHSA-N 1 2 344.462 4.100 20 30 EIEDLO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cc(C(F)(F)F)on1 ZINC000594943470 1038499530 /nfs/dbraw/zinc/49/95/30/1038499530.db2.gz JGIYIMJQHWSWDV-UHFFFAOYSA-N 1 2 349.356 4.273 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[NH+](CCC)CCC)c1=S ZINC000913058219 1038660821 /nfs/dbraw/zinc/66/08/21/1038660821.db2.gz SZUJWQFYHWKVAS-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)C#N ZINC000552085957 1039133317 /nfs/dbraw/zinc/13/33/17/1039133317.db2.gz SWGIJJJTZVNALR-UHFFFAOYSA-N 1 2 325.239 4.251 20 30 EIEDLO C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)C#N ZINC000552085957 1039133347 /nfs/dbraw/zinc/13/33/47/1039133347.db2.gz SWGIJJJTZVNALR-UHFFFAOYSA-N 1 2 325.239 4.251 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cc(C#N)cs3)[C@H](C)CO2)c1 ZINC000537633459 1039261561 /nfs/dbraw/zinc/26/15/61/1039261561.db2.gz PXYZOMGRTBIPCT-DNVCBOLYSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cc(C#N)cs3)[C@H](C)CO2)c1 ZINC000537633459 1039261590 /nfs/dbraw/zinc/26/15/90/1039261590.db2.gz PXYZOMGRTBIPCT-DNVCBOLYSA-N 1 2 326.465 4.199 20 30 EIEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000093090809 1039627195 /nfs/dbraw/zinc/62/71/95/1039627195.db2.gz VIRSTFFXHUFGOS-QGZVFWFLSA-N 1 2 338.451 4.398 20 30 EIEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000093090809 1039627236 /nfs/dbraw/zinc/62/72/36/1039627236.db2.gz VIRSTFFXHUFGOS-QGZVFWFLSA-N 1 2 338.451 4.398 20 30 EIEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2ncc(CC)s2)ccc1OC ZINC000093807760 1039754445 /nfs/dbraw/zinc/75/44/45/1039754445.db2.gz QACMKIMMROFANZ-UHFFFAOYSA-N 1 2 346.496 4.301 20 30 EIEDLO C=C(C)COc1cc(C[N@H+](C)Cc2ncc(CC)s2)ccc1OC ZINC000093807760 1039754470 /nfs/dbraw/zinc/75/44/70/1039754470.db2.gz QACMKIMMROFANZ-UHFFFAOYSA-N 1 2 346.496 4.301 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000537660455 1039873633 /nfs/dbraw/zinc/87/36/33/1039873633.db2.gz GRKGMPAJQXMKLK-CYBMUJFWSA-N 1 2 336.863 4.261 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000537660455 1039873635 /nfs/dbraw/zinc/87/36/35/1039873635.db2.gz GRKGMPAJQXMKLK-CYBMUJFWSA-N 1 2 336.863 4.261 20 30 EIEDLO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000929487371 1040040460 /nfs/dbraw/zinc/04/04/60/1040040460.db2.gz GAKCDGCYQXDYCB-GOSISDBHSA-N 1 2 334.410 4.202 20 30 EIEDLO N#CC1(CCCC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000929487371 1040040476 /nfs/dbraw/zinc/04/04/76/1040040476.db2.gz GAKCDGCYQXDYCB-GOSISDBHSA-N 1 2 334.410 4.202 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000479402150 1040304388 /nfs/dbraw/zinc/30/43/88/1040304388.db2.gz LENHQEDNPODKHD-QGZVFWFLSA-N 1 2 336.313 4.419 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000551581272 1040439869 /nfs/dbraw/zinc/43/98/69/1040439869.db2.gz GONJLSHGTSOFDC-UHFFFAOYSA-N 1 2 331.444 4.461 20 30 EIEDLO COCc1cccc(OCC2(C[N@H+](CC#N)C3CCCC3)CCC2)c1 ZINC000539451902 1040453226 /nfs/dbraw/zinc/45/32/26/1040453226.db2.gz CSTWSSYLKKGEMZ-UHFFFAOYSA-N 1 2 342.483 4.150 20 30 EIEDLO COCc1cccc(OCC2(C[N@@H+](CC#N)C3CCCC3)CCC2)c1 ZINC000539451902 1040453236 /nfs/dbraw/zinc/45/32/36/1040453236.db2.gz CSTWSSYLKKGEMZ-UHFFFAOYSA-N 1 2 342.483 4.150 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Br)o3)CC2)cc1 ZINC000483256772 1040793814 /nfs/dbraw/zinc/79/38/14/1040793814.db2.gz TWGXKPBJHXZKJY-UHFFFAOYSA-N 1 2 343.224 4.203 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Br)o3)CC2)cc1 ZINC000483256772 1040793830 /nfs/dbraw/zinc/79/38/30/1040793830.db2.gz TWGXKPBJHXZKJY-UHFFFAOYSA-N 1 2 343.224 4.203 20 30 EIEDLO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000554847696 1041442020 /nfs/dbraw/zinc/44/20/20/1041442020.db2.gz CANFDNQAFDMZQK-AWEZNQCLSA-N 1 2 333.391 4.073 20 30 EIEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000538752933 1041529946 /nfs/dbraw/zinc/52/99/46/1041529946.db2.gz XWIAFZWOWOULKX-BEFAXECRSA-N 1 2 329.465 4.275 20 30 EIEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000538752933 1041529956 /nfs/dbraw/zinc/52/99/56/1041529956.db2.gz XWIAFZWOWOULKX-BEFAXECRSA-N 1 2 329.465 4.275 20 30 EIEDLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)c(F)c1 ZINC000540708281 1041607776 /nfs/dbraw/zinc/60/77/76/1041607776.db2.gz QICVYCNRGCXDCO-LLVKDONJSA-N 1 2 327.384 4.265 20 30 EIEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782346 1041754576 /nfs/dbraw/zinc/75/45/76/1041754576.db2.gz OLTJDGLZWQDKRD-HZPDHXFCSA-N 1 2 337.423 4.088 20 30 EIEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437833567 1042283016 /nfs/dbraw/zinc/28/30/16/1042283016.db2.gz CHAOKHXNUJNKCB-KRWDZBQOSA-N 1 2 345.393 4.225 20 30 EIEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437833567 1042283024 /nfs/dbraw/zinc/28/30/24/1042283024.db2.gz CHAOKHXNUJNKCB-KRWDZBQOSA-N 1 2 345.393 4.225 20 30 EIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[NH+](CCC)CCC)c1=S ZINC000151760742 1042489680 /nfs/dbraw/zinc/48/96/80/1042489680.db2.gz QRGOPMHRZONIFP-UHFFFAOYSA-N 1 2 345.516 4.132 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449155 1042634707 /nfs/dbraw/zinc/63/47/07/1042634707.db2.gz IASLCFPHEGCALU-AUUYWEPGSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449155 1042634716 /nfs/dbraw/zinc/63/47/16/1042634716.db2.gz IASLCFPHEGCALU-AUUYWEPGSA-N 1 2 326.827 4.174 20 30 EIEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)s1 ZINC000492787784 1042750511 /nfs/dbraw/zinc/75/05/11/1042750511.db2.gz GSWWBZJROOAYLX-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)s1 ZINC000492787784 1042750517 /nfs/dbraw/zinc/75/05/17/1042750517.db2.gz GSWWBZJROOAYLX-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000184661770 1042858419 /nfs/dbraw/zinc/85/84/19/1042858419.db2.gz GXYPYXUHLOCKOK-CHWSQXEVSA-N 1 2 336.370 4.159 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000184661751 1042858460 /nfs/dbraw/zinc/85/84/60/1042858460.db2.gz GXYPYXUHLOCKOK-QWHCGFSZSA-N 1 2 336.370 4.159 20 30 EIEDLO CCOc1ccc(/C=[NH+]\CCCc2nc3c(s2)CCCC3)c(O)c1 ZINC000727061277 1043126783 /nfs/dbraw/zinc/12/67/83/1043126783.db2.gz JHKBBDLNAHAUOH-MOSHPQCFSA-N 1 2 344.480 4.178 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727825269 1043318091 /nfs/dbraw/zinc/31/80/91/1043318091.db2.gz XMSPZZJUAKBMBN-MRXNPFEDSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727825269 1043318095 /nfs/dbraw/zinc/31/80/95/1043318095.db2.gz XMSPZZJUAKBMBN-MRXNPFEDSA-N 1 2 346.475 4.238 20 30 EIEDLO COc1cccc2cc(C(C)=NNc3cc[nH+]c4ccccc34)oc21 ZINC000730147708 1043456252 /nfs/dbraw/zinc/45/62/52/1043456252.db2.gz ISDKQOULRKIGEO-UHFFFAOYSA-N 1 2 331.375 4.248 20 30 EIEDLO N#CCOc1ccc(C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000731212277 1043714118 /nfs/dbraw/zinc/71/41/18/1043714118.db2.gz CPIWFJDFKVDWDC-UHFFFAOYSA-N 1 2 347.245 4.454 20 30 EIEDLO N#CCOc1ccc(C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000731212277 1043714134 /nfs/dbraw/zinc/71/41/34/1043714134.db2.gz CPIWFJDFKVDWDC-UHFFFAOYSA-N 1 2 347.245 4.454 20 30 EIEDLO N#CCC[N@@H+](CCCc1ccccc1Br)Cc1ccco1 ZINC000543207432 1044134641 /nfs/dbraw/zinc/13/46/41/1044134641.db2.gz FWJUIASCFQSPHZ-UHFFFAOYSA-N 1 2 347.256 4.391 20 30 EIEDLO N#CCC[N@H+](CCCc1ccccc1Br)Cc1ccco1 ZINC000543207432 1044134654 /nfs/dbraw/zinc/13/46/54/1044134654.db2.gz FWJUIASCFQSPHZ-UHFFFAOYSA-N 1 2 347.256 4.391 20 30 EIEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2)cc1 ZINC000174319204 1044259074 /nfs/dbraw/zinc/25/90/74/1044259074.db2.gz PEDYPALCSBKICD-FQEVSTJZSA-N 1 2 336.366 4.178 20 30 EIEDLO CN1c2ccccc2C(C)(C)C1=CC=[NH+]Nc1cnnc2ccccc21 ZINC000733750050 1044304011 /nfs/dbraw/zinc/30/40/11/1044304011.db2.gz KSRAGBAGNAJSRL-OYTJFACUSA-N 1 2 343.434 4.339 20 30 EIEDLO COc1cccc(C([NH2+]Cc2ccc(C#N)o2)c2cccc(OC)c2)c1 ZINC000174929622 1044331562 /nfs/dbraw/zinc/33/15/62/1044331562.db2.gz HCWVLPFISJIYQV-UHFFFAOYSA-N 1 2 348.402 4.048 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761757196 1044442110 /nfs/dbraw/zinc/44/21/10/1044442110.db2.gz IWYNCGNKTHSIEK-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761757196 1044442118 /nfs/dbraw/zinc/44/21/18/1044442118.db2.gz IWYNCGNKTHSIEK-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(F)(F)F)cs1 ZINC000443635122 1044580360 /nfs/dbraw/zinc/58/03/60/1044580360.db2.gz VDAYVTMEGXCKSK-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C(F)(F)F)cs1 ZINC000443635122 1044580379 /nfs/dbraw/zinc/58/03/79/1044580379.db2.gz VDAYVTMEGXCKSK-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309308 1044798756 /nfs/dbraw/zinc/79/87/56/1044798756.db2.gz BSEHLEUCSXECNR-CQSZACIVSA-N 1 2 342.826 4.198 20 30 EIEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309308 1044798774 /nfs/dbraw/zinc/79/87/74/1044798774.db2.gz BSEHLEUCSXECNR-CQSZACIVSA-N 1 2 342.826 4.198 20 30 EIEDLO C[C@H](N[NH+]=Cc1sc(N2CCCC2)nc1Cl)c1ccccc1 ZINC000735972368 1044883717 /nfs/dbraw/zinc/88/37/17/1044883717.db2.gz ZHPASOSHUMGNJH-LBPRGKRZSA-N 1 2 334.876 4.081 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1oc(CCC)nc1C ZINC000428986148 1044951646 /nfs/dbraw/zinc/95/16/46/1044951646.db2.gz MUGLELRKIZEJGN-UHFFFAOYSA-N 1 2 330.476 4.291 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1oc(CCC)nc1C ZINC000428986148 1044951664 /nfs/dbraw/zinc/95/16/64/1044951664.db2.gz MUGLELRKIZEJGN-UHFFFAOYSA-N 1 2 330.476 4.291 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986505 1044957637 /nfs/dbraw/zinc/95/76/37/1044957637.db2.gz ZQKYWNGZSSCPQX-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986505 1044957649 /nfs/dbraw/zinc/95/76/49/1044957649.db2.gz ZQKYWNGZSSCPQX-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1c[nH+]c2ccccn12 ZINC000740765545 1045218986 /nfs/dbraw/zinc/21/89/86/1045218986.db2.gz FWEYSVOJSALULS-YFHOEESVSA-N 1 2 329.186 4.464 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(OCC(F)(F)F)cc1 ZINC000740765214 1045220633 /nfs/dbraw/zinc/22/06/33/1045220633.db2.gz SKMORCPWXVNFQQ-TWGQIWQCSA-N 1 2 346.308 4.172 20 30 EIEDLO N#Cc1ccc2ncc(C[N@H+](Cc3ccco3)Cc3ccccc3)n2c1 ZINC000162207089 1045232121 /nfs/dbraw/zinc/23/21/21/1045232121.db2.gz HPWRBFIDFUZEEO-UHFFFAOYSA-N 1 2 342.402 4.001 20 30 EIEDLO N#Cc1ccc2ncc(C[N@@H+](Cc3ccco3)Cc3ccccc3)n2c1 ZINC000162207089 1045232130 /nfs/dbraw/zinc/23/21/30/1045232130.db2.gz HPWRBFIDFUZEEO-UHFFFAOYSA-N 1 2 342.402 4.001 20 30 EIEDLO CCO[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000767463786 1045539502 /nfs/dbraw/zinc/53/95/02/1045539502.db2.gz JKUJCIWCKSLNPN-YUTCYTODSA-N 1 2 346.858 4.126 20 30 EIEDLO CN(C)c1cc(CSCc2cc(Cl)ccc2OCC#N)cc[nH+]1 ZINC000767865607 1045651822 /nfs/dbraw/zinc/65/18/22/1045651822.db2.gz HOXRQIUQDHUYFZ-UHFFFAOYSA-N 1 2 347.871 4.137 20 30 EIEDLO CC[N@H+](Cc1c(Cl)nc2ccccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000768516320 1045817693 /nfs/dbraw/zinc/81/76/93/1045817693.db2.gz WTPRNWAFSROMNK-AWEZNQCLSA-N 1 2 338.842 4.442 20 30 EIEDLO CC[N@@H+](Cc1c(Cl)nc2ccccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000768516320 1045817695 /nfs/dbraw/zinc/81/76/95/1045817695.db2.gz WTPRNWAFSROMNK-AWEZNQCLSA-N 1 2 338.842 4.442 20 30 EIEDLO CC(=[NH+]Nc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000915915522 1045836876 /nfs/dbraw/zinc/83/68/76/1045836876.db2.gz RHJPQVZBTOHGBU-UHFFFAOYSA-N 1 2 333.439 4.389 20 30 EIEDLO C=CC[N@H+](CCOC)Cc1cc2ccc(SC)cc2nc1Cl ZINC000792406479 1045893853 /nfs/dbraw/zinc/89/38/53/1045893853.db2.gz IVBIRQJBHOWUCV-UHFFFAOYSA-N 1 2 336.888 4.245 20 30 EIEDLO C=CC[N@@H+](CCOC)Cc1cc2ccc(SC)cc2nc1Cl ZINC000792406479 1045893847 /nfs/dbraw/zinc/89/38/47/1045893847.db2.gz IVBIRQJBHOWUCV-UHFFFAOYSA-N 1 2 336.888 4.245 20 30 EIEDLO C#CC[N@@H+](Cc1ccoc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769404029 1045953333 /nfs/dbraw/zinc/95/33/33/1045953333.db2.gz MPRFUKALZIFXCK-MRXNPFEDSA-N 1 2 346.224 4.001 20 30 EIEDLO C#CC[N@H+](Cc1ccoc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769404029 1045953316 /nfs/dbraw/zinc/95/33/16/1045953316.db2.gz MPRFUKALZIFXCK-MRXNPFEDSA-N 1 2 346.224 4.001 20 30 EIEDLO N#CC1(c2ccccc2)CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001170360110 1046012772 /nfs/dbraw/zinc/01/27/72/1046012772.db2.gz PUBMYDZQGLWUNR-UHFFFAOYSA-N 1 2 332.316 4.178 20 30 EIEDLO Cc1cc(Cl)c2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)CCO2 ZINC000769613639 1046033461 /nfs/dbraw/zinc/03/34/61/1046033461.db2.gz ANGNZGALKIIPKX-QBFSEMIESA-N 1 2 338.794 4.345 20 30 EIEDLO O=C1c2cccc(Cl)c2SC/C1=C/c1cccc2[nH+]ccn21 ZINC000769611004 1046034341 /nfs/dbraw/zinc/03/43/41/1046034341.db2.gz UZJOQCAFCKKHMY-LUAWRHEFSA-N 1 2 326.808 4.360 20 30 EIEDLO CCCOc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162263477 1046160143 /nfs/dbraw/zinc/16/01/43/1046160143.db2.gz QIIUKPKUTJYKMQ-UHFFFAOYSA-N 1 2 325.412 4.165 20 30 EIEDLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668531 1046643100 /nfs/dbraw/zinc/64/31/00/1046643100.db2.gz IQWPUBVYGIBIKX-WYIOMSSPSA-N 1 2 332.447 4.480 20 30 EIEDLO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668531 1046643107 /nfs/dbraw/zinc/64/31/07/1046643107.db2.gz IQWPUBVYGIBIKX-WYIOMSSPSA-N 1 2 332.447 4.480 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680559 1046668097 /nfs/dbraw/zinc/66/80/97/1046668097.db2.gz UFIUTCDSFBRYNW-IIBYNOLFSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680559 1046668107 /nfs/dbraw/zinc/66/81/07/1046668107.db2.gz UFIUTCDSFBRYNW-IIBYNOLFSA-N 1 2 338.426 4.276 20 30 EIEDLO CC[N@H+](CCC#N)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000127606033 1046704723 /nfs/dbraw/zinc/70/47/23/1046704723.db2.gz JYXLDMOTCGDBGP-UHFFFAOYSA-N 1 2 340.471 4.049 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000127606033 1046704738 /nfs/dbraw/zinc/70/47/38/1046704738.db2.gz JYXLDMOTCGDBGP-UHFFFAOYSA-N 1 2 340.471 4.049 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000785551219 1046708800 /nfs/dbraw/zinc/70/88/00/1046708800.db2.gz LHZJFKKYPGCQON-KRWDZBQOSA-N 1 2 345.801 4.105 20 30 EIEDLO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C#N)cc2)c1 ZINC000459475265 1046720412 /nfs/dbraw/zinc/72/04/12/1046720412.db2.gz ZNTZNLMMBOQKCX-JXFKEZNVSA-N 1 2 349.434 4.008 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000917454722 1046894421 /nfs/dbraw/zinc/89/44/21/1046894421.db2.gz XXUXCBQQVTYHQD-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000917454722 1046894425 /nfs/dbraw/zinc/89/44/25/1046894425.db2.gz XXUXCBQQVTYHQD-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO Fc1cc(F)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000128791360 1047078051 /nfs/dbraw/zinc/07/80/51/1047078051.db2.gz KDQLLPISQPOKRT-UHFFFAOYSA-N 1 2 333.222 4.282 20 30 EIEDLO Fc1cc(F)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000128791360 1047078064 /nfs/dbraw/zinc/07/80/64/1047078064.db2.gz KDQLLPISQPOKRT-UHFFFAOYSA-N 1 2 333.222 4.282 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1cccs1 ZINC000130247485 1047661917 /nfs/dbraw/zinc/66/19/17/1047661917.db2.gz BOUIOGVLONRVED-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1cccs1 ZINC000130247485 1047661924 /nfs/dbraw/zinc/66/19/24/1047661924.db2.gz BOUIOGVLONRVED-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824601293 1047890494 /nfs/dbraw/zinc/89/04/94/1047890494.db2.gz HRSVRZYUCPIBJW-UHFFFAOYSA-N 1 2 342.446 4.059 20 30 EIEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824601293 1047890496 /nfs/dbraw/zinc/89/04/96/1047890496.db2.gz HRSVRZYUCPIBJW-UHFFFAOYSA-N 1 2 342.446 4.059 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001143731759 1048178714 /nfs/dbraw/zinc/17/87/14/1048178714.db2.gz DOACVWQDRMZXEW-MRXNPFEDSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001143731759 1048178734 /nfs/dbraw/zinc/17/87/34/1048178734.db2.gz DOACVWQDRMZXEW-MRXNPFEDSA-N 1 2 330.790 4.004 20 30 EIEDLO COc1ccc(N[NH+]=C(C)c2cc(N)ccc2F)c(C(F)(F)F)c1 ZINC000814937303 1048250498 /nfs/dbraw/zinc/25/04/98/1048250498.db2.gz BHPGEBUGYRHYKJ-UHFFFAOYSA-N 1 2 341.308 4.271 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(Cl)cc1F ZINC000809699059 1048461629 /nfs/dbraw/zinc/46/16/29/1048461629.db2.gz KFWUGOHUIIDGGG-KRWDZBQOSA-N 1 2 347.817 4.351 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(O)cccc1Cl ZINC000809705475 1048488920 /nfs/dbraw/zinc/48/89/20/1048488920.db2.gz UIMOYMXNFXZSIE-UHFFFAOYSA-N 1 2 333.863 4.401 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(O)cccc1Cl ZINC000809705475 1048488925 /nfs/dbraw/zinc/48/89/25/1048488925.db2.gz UIMOYMXNFXZSIE-UHFFFAOYSA-N 1 2 333.863 4.401 20 30 EIEDLO CC(C)n1ncc(C#N)c1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212613989 1048660783 /nfs/dbraw/zinc/66/07/83/1048660783.db2.gz ALNNMFNMTOLWAP-UHFFFAOYSA-N 1 2 338.459 4.243 20 30 EIEDLO CC(=[NH+]Nc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000747635131 1048866003 /nfs/dbraw/zinc/86/60/03/1048866003.db2.gz GXRIYFARBYPUBP-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC(F)F)cc1 ZINC000820604423 1049532828 /nfs/dbraw/zinc/53/28/28/1049532828.db2.gz IQVOQCHTELCLKC-UHFFFAOYSA-N 1 2 332.350 4.087 20 30 EIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001171372606 1049535883 /nfs/dbraw/zinc/53/58/83/1049535883.db2.gz LCDKQXHQHYHRPZ-OAHLLOKOSA-N 1 2 340.423 4.039 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(-c2ccccc2F)n1 ZINC000812731339 1049553380 /nfs/dbraw/zinc/55/33/80/1049553380.db2.gz GAKMENOLEJTBBG-LBPRGKRZSA-N 1 2 338.411 4.067 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C#N)CCCCC2)CC12CCC2 ZINC001171834392 1049811092 /nfs/dbraw/zinc/81/10/92/1049811092.db2.gz VYJUZQSUOGXCGK-INIZCTEOSA-N 1 2 347.503 4.125 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(CCc2ccccc2)s1 ZINC000823382821 1049842248 /nfs/dbraw/zinc/84/22/48/1049842248.db2.gz YLTBLOZHGCUAIJ-UHFFFAOYSA-N 1 2 327.497 4.300 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(CCc2ccccc2)s1 ZINC000823382821 1049842250 /nfs/dbraw/zinc/84/22/50/1049842250.db2.gz YLTBLOZHGCUAIJ-UHFFFAOYSA-N 1 2 327.497 4.300 20 30 EIEDLO C#CCCCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770355 1049876253 /nfs/dbraw/zinc/87/62/53/1049876253.db2.gz PZMITABOURZBRA-UHFFFAOYSA-N 1 2 335.451 4.409 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCCc3ccccc3C(F)(F)F)c2)CC1 ZINC001171039206 1049889926 /nfs/dbraw/zinc/88/99/26/1049889926.db2.gz QFTFCZAXAQWKJD-UHFFFAOYSA-N 1 2 331.341 4.310 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cnc(C(=O)OCC)c2C1 ZINC001172355905 1049894621 /nfs/dbraw/zinc/89/46/21/1049894621.db2.gz FFDBWRJGORTEQZ-MRXNPFEDSA-N 1 2 335.492 4.015 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@H+]1CCn2cnc(C(=O)OCC)c2C1 ZINC001172355905 1049894622 /nfs/dbraw/zinc/89/46/22/1049894622.db2.gz FFDBWRJGORTEQZ-MRXNPFEDSA-N 1 2 335.492 4.015 20 30 EIEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550554 1049929307 /nfs/dbraw/zinc/92/93/07/1049929307.db2.gz HQAQBYXZBDSRGI-FSSWDIPSSA-N 1 2 349.474 4.253 20 30 EIEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708791 1049971261 /nfs/dbraw/zinc/97/12/61/1049971261.db2.gz NAIDHNRGCZBKHQ-SNVBAGLBSA-N 1 2 349.677 4.230 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248878247 1050081610 /nfs/dbraw/zinc/08/16/10/1050081610.db2.gz RIKRISDSDJMBCQ-WBVHZDCISA-N 1 2 340.496 4.269 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248878247 1050081617 /nfs/dbraw/zinc/08/16/17/1050081617.db2.gz RIKRISDSDJMBCQ-WBVHZDCISA-N 1 2 340.496 4.269 20 30 EIEDLO C=C(C)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c1nc[nH+]c2N ZINC001174788857 1051171926 /nfs/dbraw/zinc/17/19/26/1051171926.db2.gz WYUXTPYXXLYTBT-UHFFFAOYSA-N 1 2 343.390 4.358 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000775398693 1051229381 /nfs/dbraw/zinc/22/93/81/1051229381.db2.gz AFFCFWMGTYOKCT-QGZVFWFLSA-N 1 2 332.216 4.442 20 30 EIEDLO C=CCC[C@@H]([NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001181827687 1051321965 /nfs/dbraw/zinc/32/19/65/1051321965.db2.gz NOFLIXLKEPXBPU-XJKSGUPXSA-N 1 2 343.389 4.296 20 30 EIEDLO CC[NH+](CC)[C@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1Cl ZINC001182221212 1051435939 /nfs/dbraw/zinc/43/59/39/1051435939.db2.gz HIBGMENULVHPRR-HKUYNNGSSA-N 1 2 349.906 4.167 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175587077 1051657672 /nfs/dbraw/zinc/65/76/72/1051657672.db2.gz NSHSQOFNOVNHGJ-UHFFFAOYSA-N 1 2 326.827 4.087 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175587077 1051657676 /nfs/dbraw/zinc/65/76/76/1051657676.db2.gz NSHSQOFNOVNHGJ-UHFFFAOYSA-N 1 2 326.827 4.087 20 30 EIEDLO N#Cc1cc(Br)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751225 1052181681 /nfs/dbraw/zinc/18/16/81/1052181681.db2.gz ZORGFGNTZJCXBV-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(Cl)sc2Cl)s1 ZINC000794696649 1053325611 /nfs/dbraw/zinc/32/56/11/1053325611.db2.gz HPLAVFGPLAUEKD-ARJAWSKDSA-N 1 2 347.292 4.469 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000764896685 1053360933 /nfs/dbraw/zinc/36/09/33/1053360933.db2.gz FEFWVJVWSPTXMB-UHFFFAOYSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000764896685 1053360951 /nfs/dbraw/zinc/36/09/51/1053360951.db2.gz FEFWVJVWSPTXMB-UHFFFAOYSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765025963 1053422786 /nfs/dbraw/zinc/42/27/86/1053422786.db2.gz AZUSMNQSIGVRII-GOEBONIOSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765025963 1053422792 /nfs/dbraw/zinc/42/27/92/1053422792.db2.gz AZUSMNQSIGVRII-GOEBONIOSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765063415 1053434434 /nfs/dbraw/zinc/43/44/34/1053434434.db2.gz ZMYURMDHEREQQO-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765063415 1053434440 /nfs/dbraw/zinc/43/44/40/1053434440.db2.gz ZMYURMDHEREQQO-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@H](C(C)C)C2)c1=S ZINC000765083320 1053440903 /nfs/dbraw/zinc/44/09/03/1053440903.db2.gz YEXFYWQCZVHANA-AWEZNQCLSA-N 1 2 348.541 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@H](C(C)C)C2)c1=S ZINC000765083320 1053440914 /nfs/dbraw/zinc/44/09/14/1053440914.db2.gz YEXFYWQCZVHANA-AWEZNQCLSA-N 1 2 348.541 4.264 20 30 EIEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852099617 1053548608 /nfs/dbraw/zinc/54/86/08/1053548608.db2.gz NPXVMEOGOCBDKY-MEDUHNTESA-N 1 2 337.345 4.208 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331918 1053571614 /nfs/dbraw/zinc/57/16/14/1053571614.db2.gz DTQBHOSEOXZGNG-ICSRJNTNSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331918 1053571629 /nfs/dbraw/zinc/57/16/29/1053571629.db2.gz DTQBHOSEOXZGNG-ICSRJNTNSA-N 1 2 337.854 4.280 20 30 EIEDLO C[C@@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(C#N)c1O ZINC000866285033 1053678328 /nfs/dbraw/zinc/67/83/28/1053678328.db2.gz WAMVKMBXWMXRFL-KDOFPFPSSA-N 1 2 334.419 4.361 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(C#N)c1O ZINC000866337908 1053695846 /nfs/dbraw/zinc/69/58/46/1053695846.db2.gz VAKXPPWMAOELPD-MRXNPFEDSA-N 1 2 335.451 4.105 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1cccc(C#N)c1O ZINC000866348978 1053700643 /nfs/dbraw/zinc/70/06/43/1053700643.db2.gz FJVRUYZMKBIUFF-BDAKNGLRSA-N 1 2 341.358 4.151 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C#N)c(F)c1 ZINC000776744752 1053820207 /nfs/dbraw/zinc/82/02/07/1053820207.db2.gz BWJIAEZHEHYTPM-GFCCVEGCSA-N 1 2 338.411 4.067 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001198218658 1054097566 /nfs/dbraw/zinc/09/75/66/1054097566.db2.gz ITGLQIBENHEAIR-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001198218658 1054097576 /nfs/dbraw/zinc/09/75/76/1054097576.db2.gz ITGLQIBENHEAIR-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000347516428 1054490205 /nfs/dbraw/zinc/49/02/05/1054490205.db2.gz LBOIKXPCJOZARI-QGZVFWFLSA-N 1 2 341.480 4.172 20 30 EIEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000347516428 1054490208 /nfs/dbraw/zinc/49/02/08/1054490208.db2.gz LBOIKXPCJOZARI-QGZVFWFLSA-N 1 2 341.480 4.172 20 30 EIEDLO COCc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1 ZINC001201954848 1054964482 /nfs/dbraw/zinc/96/44/82/1054964482.db2.gz VWGSGQBZOXYHMM-OAHLLOKOSA-N 1 2 347.418 4.210 20 30 EIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877533602 1055073291 /nfs/dbraw/zinc/07/32/91/1055073291.db2.gz SVYRPYVBDNNTDE-MRXNPFEDSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877533602 1055073302 /nfs/dbraw/zinc/07/33/02/1055073302.db2.gz SVYRPYVBDNNTDE-MRXNPFEDSA-N 1 2 329.831 4.198 20 30 EIEDLO CN(C)c1ccc(C=[NH+]NCc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000794494643 1055159162 /nfs/dbraw/zinc/15/91/62/1055159162.db2.gz YITWNDHXWJYWNK-UHFFFAOYSA-N 1 2 339.336 4.034 20 30 EIEDLO Fc1cccc(Br)c1C=NNc1cc[nH+]c2ccccc12 ZINC000794508446 1055178637 /nfs/dbraw/zinc/17/86/37/1055178637.db2.gz VDIAFGDEVMWHLH-UHFFFAOYSA-N 1 2 344.187 4.004 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000878553333 1055342774 /nfs/dbraw/zinc/34/27/74/1055342774.db2.gz JJNUZTDUWWIDAR-LJQANCHMSA-N 1 2 337.467 4.256 20 30 EIEDLO N#Cc1ccc2nc(NCc3cc[nH+]c(N4CCCCC4)c3)ccc2c1 ZINC000301826815 1055989639 /nfs/dbraw/zinc/98/96/39/1055989639.db2.gz PEOPIIHKGIJVSN-UHFFFAOYSA-N 1 2 343.434 4.104 20 30 EIEDLO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000921806424 1056604562 /nfs/dbraw/zinc/60/45/62/1056604562.db2.gz FDPOPRADLWRFBZ-JTQLQIEISA-N 1 2 331.388 4.336 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110302476 1056605637 /nfs/dbraw/zinc/60/56/37/1056605637.db2.gz QEGBWPYJCITKGO-AWEZNQCLSA-N 1 2 343.833 4.234 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(OC(F)(F)F)c3)c[nH+]c12 ZINC000741466721 1058224643 /nfs/dbraw/zinc/22/46/43/1058224643.db2.gz BWTQVILBFNIJJD-BQYQJAHWSA-N 1 2 346.308 4.437 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742155548 1058536398 /nfs/dbraw/zinc/53/63/98/1058536398.db2.gz BMXDKHRWUFSVOJ-SFHVURJKSA-N 1 2 342.512 4.402 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)c1=S ZINC000742155548 1058536417 /nfs/dbraw/zinc/53/64/17/1058536417.db2.gz BMXDKHRWUFSVOJ-SFHVURJKSA-N 1 2 342.512 4.402 20 30 EIEDLO NC(=[NH+]OCc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000742575232 1058676571 /nfs/dbraw/zinc/67/65/71/1058676571.db2.gz CYKYNHRALMYAIU-UHFFFAOYSA-N 1 2 345.649 4.001 20 30 EIEDLO Cc1c(C(=O)/C=C\c2[nH]cc[nH+]2)cnn1-c1ccc(Cl)cc1Cl ZINC000743056099 1058856351 /nfs/dbraw/zinc/85/63/51/1058856351.db2.gz PKFMNRMJMGMHIS-PLNGDYQASA-N 1 2 347.205 4.107 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743348169 1058958309 /nfs/dbraw/zinc/95/83/09/1058958309.db2.gz KVCOKUWPRYCLAV-IBGZPJMESA-N 1 2 340.854 4.259 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743348169 1058958333 /nfs/dbraw/zinc/95/83/33/1058958333.db2.gz KVCOKUWPRYCLAV-IBGZPJMESA-N 1 2 340.854 4.259 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000744437370 1059501402 /nfs/dbraw/zinc/50/14/02/1059501402.db2.gz QLQGIQFTQOCPTD-HNNXBMFYSA-N 1 2 346.500 4.186 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000744437370 1059501428 /nfs/dbraw/zinc/50/14/28/1059501428.db2.gz QLQGIQFTQOCPTD-HNNXBMFYSA-N 1 2 346.500 4.186 20 30 EIEDLO C[C@](C#N)(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC001169389180 1060804122 /nfs/dbraw/zinc/80/41/22/1060804122.db2.gz OEKQHRHRZRQLJD-LJQANCHMSA-N 1 2 336.826 4.436 20 30 EIEDLO C[C@@](C#N)(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC001169389178 1060804390 /nfs/dbraw/zinc/80/43/90/1060804390.db2.gz OEKQHRHRZRQLJD-IBGZPJMESA-N 1 2 336.826 4.436 20 30 EIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)cc1 ZINC001169952894 1061048367 /nfs/dbraw/zinc/04/83/67/1061048367.db2.gz MBRGSMBIGZCTFC-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cc1F ZINC000047751613 204339869 /nfs/dbraw/zinc/33/98/69/204339869.db2.gz IHTSYUSZTFFYIU-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cc1F ZINC000047751613 204339871 /nfs/dbraw/zinc/33/98/71/204339871.db2.gz IHTSYUSZTFFYIU-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C=CCC1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000449839652 1032069341 /nfs/dbraw/zinc/06/93/41/1032069341.db2.gz CIPMKXUGVLROQR-QGZVFWFLSA-N 1 2 342.483 4.155 20 30 EIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@@H](C#N)C2CCCCC2)c(C)c1 ZINC000532736751 1032288835 /nfs/dbraw/zinc/28/88/35/1032288835.db2.gz DQWPOJYLRSWOIG-SFTDATJTSA-N 1 2 336.483 4.303 20 30 EIEDLO CC(C)C[N@H+](Cc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000450312592 1032412875 /nfs/dbraw/zinc/41/28/75/1032412875.db2.gz MOBMFZVQLSCNDB-UHFFFAOYSA-N 1 2 328.485 4.191 20 30 EIEDLO CC(C)C[N@@H+](Cc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000450312592 1032412883 /nfs/dbraw/zinc/41/28/83/1032412883.db2.gz MOBMFZVQLSCNDB-UHFFFAOYSA-N 1 2 328.485 4.191 20 30 EIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000532961049 1032421865 /nfs/dbraw/zinc/42/18/65/1032421865.db2.gz ZJUXGOWTHRREPU-SFHVURJKSA-N 1 2 334.463 4.256 20 30 EIEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCCC1 ZINC000450640199 1032587817 /nfs/dbraw/zinc/58/78/17/1032587817.db2.gz GADVRKQURLIRHG-MRXNPFEDSA-N 1 2 332.513 4.090 20 30 EIEDLO C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)n1cc[nH+]c1 ZINC001125369439 1020862068 /nfs/dbraw/zinc/86/20/68/1020862068.db2.gz XVENSFMDLUKLEV-OAHLLOKOSA-N 1 2 346.390 4.137 20 30 EIEDLO CCC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Br ZINC000581141022 1021836864 /nfs/dbraw/zinc/83/68/64/1021836864.db2.gz UGBGOLNBROAATA-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Br ZINC000581141022 1021836868 /nfs/dbraw/zinc/83/68/68/1021836868.db2.gz UGBGOLNBROAATA-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(F)c1 ZINC000050231659 1022024956 /nfs/dbraw/zinc/02/49/56/1022024956.db2.gz ZRPLHMVBBFXPSV-IBGZPJMESA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(F)c1 ZINC000050231659 1022024977 /nfs/dbraw/zinc/02/49/77/1022024977.db2.gz ZRPLHMVBBFXPSV-IBGZPJMESA-N 1 2 342.389 4.018 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1ccc(F)c(F)c1 ZINC000187795382 1022392630 /nfs/dbraw/zinc/39/26/30/1022392630.db2.gz LAAIXBREHRHORN-GOSISDBHSA-N 1 2 349.352 4.298 20 30 EIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000581148091 1022857442 /nfs/dbraw/zinc/85/74/42/1022857442.db2.gz STZHEILPZUJIEQ-NSHDSACASA-N 1 2 346.780 4.360 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Cl)c1 ZINC000181410791 1023045486 /nfs/dbraw/zinc/04/54/86/1023045486.db2.gz LFEJBZYBUQMGPU-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO Cc1cc2c(s1)N(C#C[Si](C)(C)C)c1ccccc1NC2=[NH2+] ZINC001167463227 1023224951 /nfs/dbraw/zinc/22/49/51/1023224951.db2.gz GSUOBKOFBKXOBI-UHFFFAOYSA-N 1 2 325.513 4.383 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001167465187 1023266719 /nfs/dbraw/zinc/26/67/19/1023266719.db2.gz VVJJMPJZBVZCAQ-WOJBJXKFSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001167465187 1023266727 /nfs/dbraw/zinc/26/67/27/1023266727.db2.gz VVJJMPJZBVZCAQ-WOJBJXKFSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC001167465185 1023269003 /nfs/dbraw/zinc/26/90/03/1023269003.db2.gz VVJJMPJZBVZCAQ-UXHICEINSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC001167465185 1023269013 /nfs/dbraw/zinc/26/90/13/1023269013.db2.gz VVJJMPJZBVZCAQ-UXHICEINSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549172874 1023418768 /nfs/dbraw/zinc/41/87/68/1023418768.db2.gz PIRDDTZLRLQZQQ-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549172874 1023418773 /nfs/dbraw/zinc/41/87/73/1023418773.db2.gz PIRDDTZLRLQZQQ-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cc1 ZINC000566577643 1023538091 /nfs/dbraw/zinc/53/80/91/1023538091.db2.gz QTYBUKWFKVDHIZ-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO N#Cc1csc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000178194395 1023820228 /nfs/dbraw/zinc/82/02/28/1023820228.db2.gz ACRJEHUVEJROPK-UHFFFAOYSA-N 1 2 334.448 4.432 20 30 EIEDLO CC[N@@H+](Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@@H](C)C#N ZINC000091983477 1024709672 /nfs/dbraw/zinc/70/96/72/1024709672.db2.gz OWLQYBAZMLQYEQ-AWEZNQCLSA-N 1 2 344.890 4.183 20 30 EIEDLO CC[N@H+](Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@@H](C)C#N ZINC000091983477 1024709696 /nfs/dbraw/zinc/70/96/96/1024709696.db2.gz OWLQYBAZMLQYEQ-AWEZNQCLSA-N 1 2 344.890 4.183 20 30 EIEDLO N#Cc1cc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)ccn1 ZINC000610992586 1025236812 /nfs/dbraw/zinc/23/68/12/1025236812.db2.gz SOPRVTLFRWVFPQ-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO N#Cc1cc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)ccn1 ZINC000610992586 1025236823 /nfs/dbraw/zinc/23/68/23/1025236823.db2.gz SOPRVTLFRWVFPQ-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)ccn1 ZINC000610994631 1025242092 /nfs/dbraw/zinc/24/20/92/1025242092.db2.gz LEEZRQKVJTVLPG-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)ccn1 ZINC000610994631 1025242107 /nfs/dbraw/zinc/24/21/07/1025242107.db2.gz LEEZRQKVJTVLPG-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO COc1cc[nH+]cc1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000344870988 1026659631 /nfs/dbraw/zinc/65/96/31/1026659631.db2.gz FFFRDFMLAWZLSP-UHFFFAOYSA-N 1 2 345.402 4.153 20 30 EIEDLO C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000479517160 1026834695 /nfs/dbraw/zinc/83/46/95/1026834695.db2.gz WCDCXODRQHWDCE-ZBEGNZNMSA-N 1 2 335.234 4.249 20 30 EIEDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000375724272 1026888977 /nfs/dbraw/zinc/88/89/77/1026888977.db2.gz KJRPVWOFUHKWDN-PMACEKPBSA-N 1 2 348.425 4.261 20 30 EIEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000158671870 1026890708 /nfs/dbraw/zinc/89/07/08/1026890708.db2.gz IAEXBSBHEXOOEO-HNNXBMFYSA-N 1 2 343.452 4.077 20 30 EIEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000158671870 1026890711 /nfs/dbraw/zinc/89/07/11/1026890711.db2.gz IAEXBSBHEXOOEO-HNNXBMFYSA-N 1 2 343.452 4.077 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000519701708 1026952563 /nfs/dbraw/zinc/95/25/63/1026952563.db2.gz JRVKNVHSQIPYTO-NSHDSACASA-N 1 2 344.440 4.071 20 30 EIEDLO N#Cc1cccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885977 1027175032 /nfs/dbraw/zinc/17/50/32/1027175032.db2.gz WJVZWQRMNFRPGE-QZTJIDSGSA-N 1 2 330.391 4.164 20 30 EIEDLO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc(C#N)cc1 ZINC000046528298 1027303305 /nfs/dbraw/zinc/30/33/05/1027303305.db2.gz NYZCDBFOVDHRBZ-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc(C#N)cc1 ZINC000046528298 1027303327 /nfs/dbraw/zinc/30/33/27/1027303327.db2.gz NYZCDBFOVDHRBZ-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CCc2ccccc2)no1 ZINC000441270039 1027398679 /nfs/dbraw/zinc/39/86/79/1027398679.db2.gz NHTBSVHBWVSNJQ-UHFFFAOYSA-N 1 2 347.462 4.086 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CCc2ccccc2)no1 ZINC000441270039 1027398688 /nfs/dbraw/zinc/39/86/88/1027398688.db2.gz NHTBSVHBWVSNJQ-UHFFFAOYSA-N 1 2 347.462 4.086 20 30 EIEDLO C#CC1CC[NH+](Cc2c(Cl)ccc(Br)c2F)CC1 ZINC001141892698 1027478425 /nfs/dbraw/zinc/47/84/25/1027478425.db2.gz UZCOAINMMNCTNM-UHFFFAOYSA-N 1 2 330.628 4.087 20 30 EIEDLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727881 1027522037 /nfs/dbraw/zinc/52/20/37/1027522037.db2.gz WQPWRXVJFHPKAC-KGLIPLIRSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727882 1027522873 /nfs/dbraw/zinc/52/28/73/1027522873.db2.gz WQPWRXVJFHPKAC-UONOGXRCSA-N 1 2 332.407 4.329 20 30 EIEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535281141 1027550313 /nfs/dbraw/zinc/55/03/13/1027550313.db2.gz RDGQPAGWRAYCDY-UHFFFAOYSA-N 1 2 333.275 4.251 20 30 EIEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000535281141 1027550325 /nfs/dbraw/zinc/55/03/25/1027550325.db2.gz RDGQPAGWRAYCDY-UHFFFAOYSA-N 1 2 333.275 4.251 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OCC)co1)c1ccc(F)c(F)c1 ZINC000474930491 1027798448 /nfs/dbraw/zinc/79/84/48/1027798448.db2.gz QIVDZZPAAZMXLQ-QGZVFWFLSA-N 1 2 335.350 4.142 20 30 EIEDLO C[C@@H]1CCN(C(=O)Nc2cccc3ccsc32)C[C@@H]1n1cc[nH+]c1 ZINC000328809850 1027807173 /nfs/dbraw/zinc/80/71/73/1027807173.db2.gz MNWIMZAMYMGMFK-CJNGLKHVSA-N 1 2 340.452 4.226 20 30 EIEDLO CC(C)(C)[C@@H]1CCc2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2C1 ZINC000329481009 1027811676 /nfs/dbraw/zinc/81/16/76/1027811676.db2.gz DFUWXLDFIFJINF-LLVKDONJSA-N 1 2 332.473 4.238 20 30 EIEDLO CC[C@](C)(NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1nc(C)cs1 ZINC000331226824 1027935424 /nfs/dbraw/zinc/93/54/24/1027935424.db2.gz DCNIMZRSNQFMFO-KRWDZBQOSA-N 1 2 332.473 4.232 20 30 EIEDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1C#N ZINC000440610490 1028201132 /nfs/dbraw/zinc/20/11/32/1028201132.db2.gz JGDOYVXCEAPIRZ-UHFFFAOYSA-N 1 2 338.798 4.018 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1 ZINC000027775152 1028773402 /nfs/dbraw/zinc/77/34/02/1028773402.db2.gz IKURNKIRHZCULN-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1 ZINC000027775152 1028773409 /nfs/dbraw/zinc/77/34/09/1028773409.db2.gz IKURNKIRHZCULN-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[C@@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1(C)C ZINC000278493404 1029349188 /nfs/dbraw/zinc/34/91/88/1029349188.db2.gz WKGDCPFRXKINOS-IBGZPJMESA-N 1 2 337.467 4.138 20 30 EIEDLO C=CCC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000428015104 1029599864 /nfs/dbraw/zinc/59/98/64/1029599864.db2.gz REIYKMUUDNFWHN-FQEVSTJZSA-N 1 2 345.446 4.239 20 30 EIEDLO CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C[C@@H](C)C#N ZINC000151678209 1029655909 /nfs/dbraw/zinc/65/59/09/1029655909.db2.gz SAZXYZWHRQRYGI-ZDUSSCGKSA-N 1 2 328.847 4.087 20 30 EIEDLO CC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C[C@@H](C)C#N ZINC000151678209 1029655913 /nfs/dbraw/zinc/65/59/13/1029655913.db2.gz SAZXYZWHRQRYGI-ZDUSSCGKSA-N 1 2 328.847 4.087 20 30 EIEDLO C=CC[N@@H+](Cc1oc(C(C)C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000428466464 1029681290 /nfs/dbraw/zinc/68/12/90/1029681290.db2.gz ZEFGVSIIERPUIU-UHFFFAOYSA-N 1 2 329.400 4.203 20 30 EIEDLO C=CC[N@H+](Cc1oc(C(C)C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000428466464 1029681296 /nfs/dbraw/zinc/68/12/96/1029681296.db2.gz ZEFGVSIIERPUIU-UHFFFAOYSA-N 1 2 329.400 4.203 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1ccc(F)c(F)c1 ZINC000187785075 1029787529 /nfs/dbraw/zinc/78/75/29/1029787529.db2.gz WTECLDBDPBMKQX-SFHVURJKSA-N 1 2 349.352 4.298 20 30 EIEDLO C=CCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000451466041 1030515910 /nfs/dbraw/zinc/51/59/10/1030515910.db2.gz HQXOKNOBRPWUKJ-QGZVFWFLSA-N 1 2 341.499 4.062 20 30 EIEDLO N#Cc1ccsc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000052031177 1030953091 /nfs/dbraw/zinc/95/30/91/1030953091.db2.gz AURIBEHNDOMBKA-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO N#Cc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1F ZINC000364548718 1031338110 /nfs/dbraw/zinc/33/81/10/1031338110.db2.gz SDOVINBKMHNUHM-UHFFFAOYSA-N 1 2 344.393 4.225 20 30 EIEDLO N#CCC[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)CC1CC1 ZINC000449023648 1031385860 /nfs/dbraw/zinc/38/58/60/1031385860.db2.gz SRGSLLKPZWFEQG-UHFFFAOYSA-N 1 2 333.407 4.214 20 30 EIEDLO N#CCC[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)CC1CC1 ZINC000449023648 1031385874 /nfs/dbraw/zinc/38/58/74/1031385874.db2.gz SRGSLLKPZWFEQG-UHFFFAOYSA-N 1 2 333.407 4.214 20 30 EIEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(Cl)nc1 ZINC000177208187 1031441435 /nfs/dbraw/zinc/44/14/35/1031441435.db2.gz HCAHNESRVGYXTE-UHFFFAOYSA-N 1 2 338.760 4.237 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(Cl)nc1 ZINC000177208187 1031441444 /nfs/dbraw/zinc/44/14/44/1031441444.db2.gz HCAHNESRVGYXTE-UHFFFAOYSA-N 1 2 338.760 4.237 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000612405882 1031488501 /nfs/dbraw/zinc/48/85/01/1031488501.db2.gz DMSVYJYULMOXQV-GOSISDBHSA-N 1 2 341.436 4.449 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000612405882 1031488512 /nfs/dbraw/zinc/48/85/12/1031488512.db2.gz DMSVYJYULMOXQV-GOSISDBHSA-N 1 2 341.436 4.449 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000612407131 1031490687 /nfs/dbraw/zinc/49/06/87/1031490687.db2.gz ZGKDRHDTWYPUHQ-QFIPXVFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000612407131 1031490709 /nfs/dbraw/zinc/49/07/09/1031490709.db2.gz ZGKDRHDTWYPUHQ-QFIPXVFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000612406827 1031491987 /nfs/dbraw/zinc/49/19/87/1031491987.db2.gz VBSUJJYOEZZDEH-JOCHJYFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000612406827 1031492001 /nfs/dbraw/zinc/49/20/01/1031492001.db2.gz VBSUJJYOEZZDEH-JOCHJYFZSA-N 1 2 345.446 4.263 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2nc(C(C)(C)C)cs2)c1 ZINC000729641681 1031841865 /nfs/dbraw/zinc/84/18/65/1031841865.db2.gz SJKHGSTZYWWHIV-ODLFYWEKSA-N 1 2 332.469 4.207 20 30 EIEDLO CC(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000459352070 1031884504 /nfs/dbraw/zinc/88/45/04/1031884504.db2.gz RSYVAIVFSVAWJA-SFHVURJKSA-N 1 2 327.359 4.092 20 30 EIEDLO CC(C)COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512659532 1033645256 /nfs/dbraw/zinc/64/52/56/1033645256.db2.gz HUAIQPAISNBOIW-KDOFPFPSSA-N 1 2 330.403 4.355 20 30 EIEDLO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000411538969 1033971022 /nfs/dbraw/zinc/97/10/22/1033971022.db2.gz VAEZRRPFAFGKHM-INIZCTEOSA-N 1 2 338.455 4.175 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000509806072 1034039088 /nfs/dbraw/zinc/03/90/88/1034039088.db2.gz NLSDCIZZSNAKKA-LLVKDONJSA-N 1 2 333.775 4.100 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000509806072 1034039102 /nfs/dbraw/zinc/03/91/02/1034039102.db2.gz NLSDCIZZSNAKKA-LLVKDONJSA-N 1 2 333.775 4.100 20 30 EIEDLO COc1cc(OC)cc(Oc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2)c1 ZINC000509814632 1034044270 /nfs/dbraw/zinc/04/42/70/1034044270.db2.gz LKXVIYIMUCITPD-OAHLLOKOSA-N 1 2 340.423 4.088 20 30 EIEDLO COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2)c1 ZINC000509814632 1034044286 /nfs/dbraw/zinc/04/42/86/1034044286.db2.gz LKXVIYIMUCITPD-OAHLLOKOSA-N 1 2 340.423 4.088 20 30 EIEDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000280507151 1035283589 /nfs/dbraw/zinc/28/35/89/1035283589.db2.gz CRFMDIWWELZOFH-MRXNPFEDSA-N 1 2 343.496 4.061 20 30 EIEDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000280507151 1035283608 /nfs/dbraw/zinc/28/36/08/1035283608.db2.gz CRFMDIWWELZOFH-MRXNPFEDSA-N 1 2 343.496 4.061 20 30 EIEDLO CCOc1cc(C[N@H+](C)Cc2ccccc2C#N)ccc1OC(F)F ZINC000046776995 1035653516 /nfs/dbraw/zinc/65/35/16/1035653516.db2.gz TXDMTNKXVZOTJQ-UHFFFAOYSA-N 1 2 346.377 4.190 20 30 EIEDLO CCOc1cc(C[N@@H+](C)Cc2ccccc2C#N)ccc1OC(F)F ZINC000046776995 1035653523 /nfs/dbraw/zinc/65/35/23/1035653523.db2.gz TXDMTNKXVZOTJQ-UHFFFAOYSA-N 1 2 346.377 4.190 20 30 EIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613608 1035749553 /nfs/dbraw/zinc/74/95/53/1035749553.db2.gz FROUILHRDDKONE-HIFRSBDPSA-N 1 2 344.846 4.000 20 30 EIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613608 1035749575 /nfs/dbraw/zinc/74/95/75/1035749575.db2.gz FROUILHRDDKONE-HIFRSBDPSA-N 1 2 344.846 4.000 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1F ZINC000595747435 1035781430 /nfs/dbraw/zinc/78/14/30/1035781430.db2.gz JCTDPNRZYQJDJP-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1F ZINC000595747435 1035781448 /nfs/dbraw/zinc/78/14/48/1035781448.db2.gz JCTDPNRZYQJDJP-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C#N)CC4CCC3CC4)c2)[nH+]c1C ZINC000906389081 1036258667 /nfs/dbraw/zinc/25/86/67/1036258667.db2.gz KPPYWFLLQVOAEV-AEJJIKPWSA-N 1 2 348.450 4.352 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000588211821 1036315405 /nfs/dbraw/zinc/31/54/05/1036315405.db2.gz GKCRBYJEQYXLPT-SFHVURJKSA-N 1 2 336.439 4.130 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000588211821 1036315425 /nfs/dbraw/zinc/31/54/25/1036315425.db2.gz GKCRBYJEQYXLPT-SFHVURJKSA-N 1 2 336.439 4.130 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1cccs1 ZINC000016395465 1036369588 /nfs/dbraw/zinc/36/95/88/1036369588.db2.gz ADICLPJSWJDCPT-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1cccs1 ZINC000016395465 1036369606 /nfs/dbraw/zinc/36/96/06/1036369606.db2.gz ADICLPJSWJDCPT-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486552 1036462850 /nfs/dbraw/zinc/46/28/50/1036462850.db2.gz UHOKDJWIGKMJGL-FUHWJXTLSA-N 1 2 327.378 4.291 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486552 1036462864 /nfs/dbraw/zinc/46/28/64/1036462864.db2.gz UHOKDJWIGKMJGL-FUHWJXTLSA-N 1 2 327.378 4.291 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000602596691 1036504874 /nfs/dbraw/zinc/50/48/74/1036504874.db2.gz MVGXKVJVNOJWKI-CZUORRHYSA-N 1 2 326.362 4.019 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000602596691 1036504907 /nfs/dbraw/zinc/50/49/07/1036504907.db2.gz MVGXKVJVNOJWKI-CZUORRHYSA-N 1 2 326.362 4.019 20 30 EIEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980363 1036688971 /nfs/dbraw/zinc/68/89/71/1036688971.db2.gz PHRWUTZWOJJHBP-QAPCUYQASA-N 1 2 340.858 4.230 20 30 EIEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980363 1036688977 /nfs/dbraw/zinc/68/89/77/1036688977.db2.gz PHRWUTZWOJJHBP-QAPCUYQASA-N 1 2 340.858 4.230 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1Cl ZINC000486880611 1036882571 /nfs/dbraw/zinc/88/25/71/1036882571.db2.gz MQKXARFTCPSGIV-QWHCGFSZSA-N 1 2 348.878 4.387 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1C#N ZINC000175020483 1037454029 /nfs/dbraw/zinc/45/40/29/1037454029.db2.gz WRPGDGQMSAGAKR-RYUDHWBXSA-N 1 2 345.805 4.029 20 30 EIEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1cccs1 ZINC000669730986 1037891809 /nfs/dbraw/zinc/89/18/09/1037891809.db2.gz MBBMSCWLBWHIJH-MRXNPFEDSA-N 1 2 340.492 4.104 20 30 EIEDLO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1cccs1 ZINC000669730986 1037891811 /nfs/dbraw/zinc/89/18/11/1037891811.db2.gz MBBMSCWLBWHIJH-MRXNPFEDSA-N 1 2 340.492 4.104 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000489430829 1038045883 /nfs/dbraw/zinc/04/58/83/1038045883.db2.gz DRUXWFCUGSVJQD-HOTGVXAUSA-N 1 2 343.496 4.060 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000489430829 1038045890 /nfs/dbraw/zinc/04/58/90/1038045890.db2.gz DRUXWFCUGSVJQD-HOTGVXAUSA-N 1 2 343.496 4.060 20 30 EIEDLO N#Cc1ccc(C2([NH2+]Cc3nc(C(F)(F)F)cs3)CCC2)cc1 ZINC000594033399 1038235822 /nfs/dbraw/zinc/23/58/22/1038235822.db2.gz OYVSMZDYZDTZLU-UHFFFAOYSA-N 1 2 337.370 4.203 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000480877980 1038855671 /nfs/dbraw/zinc/85/56/71/1038855671.db2.gz WLFOEVRKIKAVNP-UHFFFAOYSA-N 1 2 349.261 4.250 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000480877980 1038855673 /nfs/dbraw/zinc/85/56/73/1038855673.db2.gz WLFOEVRKIKAVNP-UHFFFAOYSA-N 1 2 349.261 4.250 20 30 EIEDLO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000505044614 1038895384 /nfs/dbraw/zinc/89/53/84/1038895384.db2.gz CEGMHUSKFMTTJN-VQIMIIECSA-N 1 2 338.455 4.117 20 30 EIEDLO CCCn1c2ccccc2nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213944 1039378470 /nfs/dbraw/zinc/37/84/70/1039378470.db2.gz JDIDCWLFAZNLGF-UHFFFAOYSA-N 1 2 344.462 4.071 20 30 EIEDLO CCCn1c2ccccc2nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213944 1039378472 /nfs/dbraw/zinc/37/84/72/1039378472.db2.gz JDIDCWLFAZNLGF-UHFFFAOYSA-N 1 2 344.462 4.071 20 30 EIEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1ccc(F)cc1 ZINC000093091000 1039628217 /nfs/dbraw/zinc/62/82/17/1039628217.db2.gz DPAFTSQDOZXHJL-HNNXBMFYSA-N 1 2 342.414 4.147 20 30 EIEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1ccc(F)cc1 ZINC000093091000 1039628235 /nfs/dbraw/zinc/62/82/35/1039628235.db2.gz DPAFTSQDOZXHJL-HNNXBMFYSA-N 1 2 342.414 4.147 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481704574 1039768871 /nfs/dbraw/zinc/76/88/71/1039768871.db2.gz OUAIGHOCNMQAQA-FQEVSTJZSA-N 1 2 338.838 4.233 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481704574 1039768896 /nfs/dbraw/zinc/76/88/96/1039768896.db2.gz OUAIGHOCNMQAQA-FQEVSTJZSA-N 1 2 338.838 4.233 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(F)cc1C#N)CCC2 ZINC000152706238 1039874678 /nfs/dbraw/zinc/87/46/78/1039874678.db2.gz KEFTWVJLARPGPH-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(F)cc1C#N)CCC2 ZINC000152706238 1039874684 /nfs/dbraw/zinc/87/46/84/1039874684.db2.gz KEFTWVJLARPGPH-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000479402149 1040304514 /nfs/dbraw/zinc/30/45/14/1040304514.db2.gz LENHQEDNPODKHD-KRWDZBQOSA-N 1 2 336.313 4.419 20 30 EIEDLO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000483712095 1040979432 /nfs/dbraw/zinc/97/94/32/1040979432.db2.gz LPKXBKSYTKLDNH-UHFFFAOYSA-N 1 2 343.349 4.198 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1F ZINC000484081822 1041113292 /nfs/dbraw/zinc/11/32/92/1041113292.db2.gz KLOXWAHFBYNNIM-HXUWFJFHSA-N 1 2 335.357 4.111 20 30 EIEDLO Cc1cccc(C[N@H+](CC#Cc2ccccc2)Cc2ccccn2)c1 ZINC000484099222 1041114783 /nfs/dbraw/zinc/11/47/83/1041114783.db2.gz PIHRJWOUPAHROO-UHFFFAOYSA-N 1 2 326.443 4.444 20 30 EIEDLO Cc1cccc(C[N@@H+](CC#Cc2ccccc2)Cc2ccccn2)c1 ZINC000484099222 1041114808 /nfs/dbraw/zinc/11/48/08/1041114808.db2.gz PIHRJWOUPAHROO-UHFFFAOYSA-N 1 2 326.443 4.444 20 30 EIEDLO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccc(OC)cc1 ZINC000515779969 1041121997 /nfs/dbraw/zinc/12/19/97/1041121997.db2.gz NUGSSICUHVZLQB-UHFFFAOYSA-N 1 2 341.842 4.185 20 30 EIEDLO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccc(OC)cc1 ZINC000515779969 1041122025 /nfs/dbraw/zinc/12/20/25/1041122025.db2.gz NUGSSICUHVZLQB-UHFFFAOYSA-N 1 2 341.842 4.185 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000425538156 1041200393 /nfs/dbraw/zinc/20/03/93/1041200393.db2.gz RQDBFAQSZOSXOY-SFHVURJKSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000425538156 1041200404 /nfs/dbraw/zinc/20/04/04/1041200404.db2.gz RQDBFAQSZOSXOY-SFHVURJKSA-N 1 2 344.462 4.190 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536646 1041211436 /nfs/dbraw/zinc/21/14/36/1041211436.db2.gz PBKQCSGFJGBGAI-OAHLLOKOSA-N 1 2 336.435 4.353 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536646 1041211450 /nfs/dbraw/zinc/21/14/50/1041211450.db2.gz PBKQCSGFJGBGAI-OAHLLOKOSA-N 1 2 336.435 4.353 20 30 EIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c(C#N)nnc2ccccc21 ZINC000516248165 1041480245 /nfs/dbraw/zinc/48/02/45/1041480245.db2.gz IZQLLTHENCEHJH-UHFFFAOYSA-N 1 2 329.407 4.154 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000538954601 1041589295 /nfs/dbraw/zinc/58/92/95/1041589295.db2.gz NARBEFKJUMCADT-UHFFFAOYSA-N 1 2 333.646 4.236 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000538954601 1041589304 /nfs/dbraw/zinc/58/93/04/1041589304.db2.gz NARBEFKJUMCADT-UHFFFAOYSA-N 1 2 333.646 4.236 20 30 EIEDLO Cc1ccc(OCc2nc(C[NH+]3CCC(CC#N)CC3)cs2)cc1 ZINC000540995702 1041763219 /nfs/dbraw/zinc/76/32/19/1041763219.db2.gz QGCBLLFCNJOAPL-UHFFFAOYSA-N 1 2 341.480 4.156 20 30 EIEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC ZINC000517037688 1041844528 /nfs/dbraw/zinc/84/45/28/1041844528.db2.gz HWMXXKPDURXUSE-SFHVURJKSA-N 1 2 341.455 4.100 20 30 EIEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1OC ZINC000517037688 1041844531 /nfs/dbraw/zinc/84/45/31/1041844531.db2.gz HWMXXKPDURXUSE-SFHVURJKSA-N 1 2 341.455 4.100 20 30 EIEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000517468331 1042037449 /nfs/dbraw/zinc/03/74/49/1042037449.db2.gz IAXWHAPQPFGSRM-LBPRGKRZSA-N 1 2 337.345 4.468 20 30 EIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)CCC2 ZINC000366689630 1042105178 /nfs/dbraw/zinc/10/51/78/1042105178.db2.gz RCGROEUTAPCARM-CYBMUJFWSA-N 1 2 334.345 4.072 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542279363 1042367503 /nfs/dbraw/zinc/36/75/03/1042367503.db2.gz FXURNNQBBYSUFD-QRWLVFNGSA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542279363 1042367510 /nfs/dbraw/zinc/36/75/10/1042367510.db2.gz FXURNNQBBYSUFD-QRWLVFNGSA-N 1 2 340.854 4.368 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000491670286 1042486361 /nfs/dbraw/zinc/48/63/61/1042486361.db2.gz DIMKFZQZESMFSG-INIZCTEOSA-N 1 2 339.851 4.323 20 30 EIEDLO CCOc1ccc([C@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)cc1 ZINC000030537059 1042555695 /nfs/dbraw/zinc/55/56/95/1042555695.db2.gz WMMSLILVMGYNJB-DYESRHJHSA-N 1 2 333.435 4.208 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000178526418 1042869072 /nfs/dbraw/zinc/86/90/72/1042869072.db2.gz KGHFHLZDLZZHIL-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000178526418 1042869073 /nfs/dbraw/zinc/86/90/73/1042869073.db2.gz KGHFHLZDLZZHIL-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000494008703 1043007493 /nfs/dbraw/zinc/00/74/93/1043007493.db2.gz KSWFLNAUYAWVKL-CQSZACIVSA-N 1 2 329.444 4.158 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000494008703 1043007499 /nfs/dbraw/zinc/00/74/99/1043007499.db2.gz KSWFLNAUYAWVKL-CQSZACIVSA-N 1 2 329.444 4.158 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(Br)c2C1 ZINC001307580595 1043084251 /nfs/dbraw/zinc/08/42/51/1043084251.db2.gz ZIWCILZUBQXYJF-CYBMUJFWSA-N 1 2 341.252 4.440 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(Br)c2C1 ZINC001307580595 1043084260 /nfs/dbraw/zinc/08/42/60/1043084260.db2.gz ZIWCILZUBQXYJF-CYBMUJFWSA-N 1 2 341.252 4.440 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000672553035 1043280492 /nfs/dbraw/zinc/28/04/92/1043280492.db2.gz NEAZDMOKOQOSSY-SECBINFHSA-N 1 2 345.258 4.187 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000672553035 1043280503 /nfs/dbraw/zinc/28/05/03/1043280503.db2.gz NEAZDMOKOQOSSY-SECBINFHSA-N 1 2 345.258 4.187 20 30 EIEDLO CCn1c2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542483677 1043534154 /nfs/dbraw/zinc/53/41/54/1043534154.db2.gz SXCKFDQVXCZRSA-UHFFFAOYSA-N 1 2 330.435 4.092 20 30 EIEDLO CCn1c2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542483677 1043534183 /nfs/dbraw/zinc/53/41/83/1043534183.db2.gz SXCKFDQVXCZRSA-UHFFFAOYSA-N 1 2 330.435 4.092 20 30 EIEDLO N#Cc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(Cl)c1 ZINC000438920731 1043632433 /nfs/dbraw/zinc/63/24/33/1043632433.db2.gz RWBNXNLMMPYLKW-UHFFFAOYSA-N 1 2 336.704 4.023 20 30 EIEDLO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1cc(C(F)(F)F)on1 ZINC000429251020 1044293519 /nfs/dbraw/zinc/29/35/19/1044293519.db2.gz BUATWZIEGVORNA-UHFFFAOYSA-N 1 2 342.748 4.223 20 30 EIEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000733750193 1044301155 /nfs/dbraw/zinc/30/11/55/1044301155.db2.gz PFJPECXFBFWCGA-UHFFFAOYSA-N 1 2 345.450 4.456 20 30 EIEDLO COc1cccc(/C=[NH+]/CCCO[C@H]2CCCc3ccccc32)c1O ZINC000733749969 1044301273 /nfs/dbraw/zinc/30/12/73/1044301273.db2.gz HAQHTYPNDOVAQR-OMNSNBSWSA-N 1 2 339.435 4.304 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761765402 1044479462 /nfs/dbraw/zinc/47/94/62/1044479462.db2.gz LUMZADZLGGTBOZ-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761765402 1044479466 /nfs/dbraw/zinc/47/94/66/1044479466.db2.gz LUMZADZLGGTBOZ-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735305744 1044788958 /nfs/dbraw/zinc/78/89/58/1044788958.db2.gz DGVRMVDGDGDXRA-UHFFFAOYSA-N 1 2 336.769 4.153 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735305744 1044788980 /nfs/dbraw/zinc/78/89/80/1044788980.db2.gz DGVRMVDGDGDXRA-UHFFFAOYSA-N 1 2 336.769 4.153 20 30 EIEDLO C[C@@H](N[NH+]=Cc1sc(N2CCCC2)nc1Cl)c1ccccc1 ZINC000735972367 1044884678 /nfs/dbraw/zinc/88/46/78/1044884678.db2.gz ZHPASOSHUMGNJH-GFCCVEGCSA-N 1 2 334.876 4.081 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC000738237787 1045052559 /nfs/dbraw/zinc/05/25/59/1045052559.db2.gz CKVWSZJTYSVACQ-OAHLLOKOSA-N 1 2 334.533 4.193 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC000738237787 1045052575 /nfs/dbraw/zinc/05/25/75/1045052575.db2.gz CKVWSZJTYSVACQ-OAHLLOKOSA-N 1 2 334.533 4.193 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861643 1045232030 /nfs/dbraw/zinc/23/20/30/1045232030.db2.gz QNUYGQXDUJTJMP-KBPBESRZSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861643 1045232042 /nfs/dbraw/zinc/23/20/42/1045232042.db2.gz QNUYGQXDUJTJMP-KBPBESRZSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCCOC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741025973 1045257116 /nfs/dbraw/zinc/25/71/16/1045257116.db2.gz KNOMCLWULWPTJI-HNNXBMFYSA-N 1 2 329.362 4.208 20 30 EIEDLO N#Cc1csc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000611263646 1045268630 /nfs/dbraw/zinc/26/86/30/1045268630.db2.gz FRFAWYQYFIBNHR-UWVGGRQHSA-N 1 2 342.308 4.182 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000611346106 1045287410 /nfs/dbraw/zinc/28/74/10/1045287410.db2.gz PELMIFWHXLIFSS-LJQANCHMSA-N 1 2 348.475 4.451 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000611346106 1045287424 /nfs/dbraw/zinc/28/74/24/1045287424.db2.gz PELMIFWHXLIFSS-LJQANCHMSA-N 1 2 348.475 4.451 20 30 EIEDLO C[C@H]([NH2+]Cc1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 ZINC000611387776 1045294657 /nfs/dbraw/zinc/29/46/57/1045294657.db2.gz GMXGVAKGVRWAPG-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(C#N)c(F)c1 ZINC000611465876 1045313221 /nfs/dbraw/zinc/31/32/21/1045313221.db2.gz AGSTXLOUBJEFGZ-QMMMGPOBSA-N 1 2 326.268 4.105 20 30 EIEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000792314311 1045889554 /nfs/dbraw/zinc/88/95/54/1045889554.db2.gz ZTFZMGGSSNRRAT-UHFFFAOYSA-N 1 2 326.827 4.109 20 30 EIEDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000792314311 1045889557 /nfs/dbraw/zinc/88/95/57/1045889557.db2.gz ZTFZMGGSSNRRAT-UHFFFAOYSA-N 1 2 326.827 4.109 20 30 EIEDLO C=CCCCCC[N@@H+](C)Cn1sc2nc(C)c(C)c(C)c2c1=O ZINC000744434139 1045954822 /nfs/dbraw/zinc/95/48/22/1045954822.db2.gz JYOIRQJGVSCPOF-UHFFFAOYSA-N 1 2 333.501 4.019 20 30 EIEDLO C=CCCCCC[N@H+](C)Cn1sc2nc(C)c(C)c(C)c2c1=O ZINC000744434139 1045954842 /nfs/dbraw/zinc/95/48/42/1045954842.db2.gz JYOIRQJGVSCPOF-UHFFFAOYSA-N 1 2 333.501 4.019 20 30 EIEDLO Cc1ccc(OC(F)F)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000769608348 1046030339 /nfs/dbraw/zinc/03/03/39/1046030339.db2.gz SEPLLRCSXCFTNZ-SREVYHEPSA-N 1 2 328.318 4.140 20 30 EIEDLO CC(=[NH+]NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(N)cc1 ZINC000916544563 1046073743 /nfs/dbraw/zinc/07/37/43/1046073743.db2.gz MIWRQSRQASMYAY-UHFFFAOYSA-N 1 2 326.469 4.103 20 30 EIEDLO CCC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000769829661 1046088440 /nfs/dbraw/zinc/08/84/40/1046088440.db2.gz HNUUEUQISMTSAN-UHFFFAOYSA-N 1 2 330.363 4.026 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680560 1046669532 /nfs/dbraw/zinc/66/95/32/1046669532.db2.gz UFIUTCDSFBRYNW-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680560 1046669544 /nfs/dbraw/zinc/66/95/44/1046669544.db2.gz UFIUTCDSFBRYNW-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000459465087 1046703943 /nfs/dbraw/zinc/70/39/43/1046703943.db2.gz IORWQIXGJOWJLY-SFHVURJKSA-N 1 2 341.798 4.361 20 30 EIEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000536732210 1046730739 /nfs/dbraw/zinc/73/07/39/1046730739.db2.gz YEZJKNGMXLHMHN-DLBZAZTESA-N 1 2 337.442 4.137 20 30 EIEDLO CC[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469480 1046825967 /nfs/dbraw/zinc/82/59/67/1046825967.db2.gz LDTDIILNQBHLIV-OSYLJGHBSA-N 1 2 349.519 4.369 20 30 EIEDLO N#Cc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c(Cl)c1 ZINC000788361033 1047176048 /nfs/dbraw/zinc/17/60/48/1047176048.db2.gz RYYMGZSOLHKBNF-DUXPYHPUSA-N 1 2 339.807 4.355 20 30 EIEDLO N#Cc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c(Cl)c1 ZINC000788361034 1047176084 /nfs/dbraw/zinc/17/60/84/1047176084.db2.gz RYYMGZSOLHKBNF-RQOWECAXSA-N 1 2 339.807 4.355 20 30 EIEDLO Cc1cccnc1N=NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000790185203 1047533438 /nfs/dbraw/zinc/53/34/38/1047533438.db2.gz JLYAVRLKYBUALE-UHFFFAOYSA-N 1 2 346.837 4.246 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)s1 ZINC000537501007 1047648306 /nfs/dbraw/zinc/64/83/06/1047648306.db2.gz WIYADTREBNAUFS-UHFFFAOYSA-N 1 2 339.489 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000194967402 1047893960 /nfs/dbraw/zinc/89/39/60/1047893960.db2.gz PTWDDGJEXMTRAA-UHFFFAOYSA-N 1 2 329.403 4.378 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000194967402 1047893965 /nfs/dbraw/zinc/89/39/65/1047893965.db2.gz PTWDDGJEXMTRAA-UHFFFAOYSA-N 1 2 329.403 4.378 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000499047853 1048099790 /nfs/dbraw/zinc/09/97/90/1048099790.db2.gz JYTULWUWYZDQDW-ZDUSSCGKSA-N 1 2 334.872 4.417 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000499047853 1048099803 /nfs/dbraw/zinc/09/98/03/1048099803.db2.gz JYTULWUWYZDQDW-ZDUSSCGKSA-N 1 2 334.872 4.417 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Br)c1cc(F)c(N)c(F)c1 ZINC000814792766 1048171386 /nfs/dbraw/zinc/17/13/86/1048171386.db2.gz SYAAWAVMKCPYPN-UHFFFAOYSA-N 1 2 340.171 4.146 20 30 EIEDLO C#CC[N@@H+](Cc1ccc(OC)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC001143914889 1048301741 /nfs/dbraw/zinc/30/17/41/1048301741.db2.gz LCRPBYKCBFGPEB-QGZVFWFLSA-N 1 2 327.374 4.096 20 30 EIEDLO C#CC[N@H+](Cc1ccc(OC)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC001143914889 1048301756 /nfs/dbraw/zinc/30/17/56/1048301756.db2.gz LCRPBYKCBFGPEB-QGZVFWFLSA-N 1 2 327.374 4.096 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1F ZINC000809699418 1048462886 /nfs/dbraw/zinc/46/28/86/1048462886.db2.gz OCCCONBKEAVFJO-IBGZPJMESA-N 1 2 339.801 4.129 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1(C#N)CCCC1 ZINC000846011739 1048785369 /nfs/dbraw/zinc/78/53/69/1048785369.db2.gz OWYNLZHIWYHSNX-UHFFFAOYSA-N 1 2 342.874 4.067 20 30 EIEDLO CC(=[NH+]Nc1cccc(Cl)c1F)c1ccc(N2CCOCC2)cc1 ZINC000921137541 1048857184 /nfs/dbraw/zinc/85/71/84/1048857184.db2.gz BMJCYRJMGYSSIB-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1cnsn1)c1ccc(C(F)(F)F)cc1 ZINC000846846203 1048926964 /nfs/dbraw/zinc/92/69/64/1048926964.db2.gz FHBPDPONKCSEFB-AWEZNQCLSA-N 1 2 327.375 4.354 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(Cl)cc1 ZINC000811517326 1049101418 /nfs/dbraw/zinc/10/14/18/1049101418.db2.gz OJJJAUJUTZTPOG-FQEVSTJZSA-N 1 2 335.838 4.298 20 30 EIEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2SC(C)(C)C)nn1 ZINC000818346415 1049129441 /nfs/dbraw/zinc/12/94/41/1049129441.db2.gz FCOZGCCMJCYYEI-AWEZNQCLSA-N 1 2 330.501 4.206 20 30 EIEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(Cl)cc1 ZINC000811861352 1049303560 /nfs/dbraw/zinc/30/35/60/1049303560.db2.gz CLWXQXOLYWEZSE-HNNXBMFYSA-N 1 2 339.830 4.021 20 30 EIEDLO Fc1cccc2c1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171397510 1049614315 /nfs/dbraw/zinc/61/43/15/1049614315.db2.gz QWCSDPYDNPBNHR-SECBINFHSA-N 1 2 347.249 4.106 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171843787 1049812290 /nfs/dbraw/zinc/81/22/90/1049812290.db2.gz AQTHUUUODIJFJL-VQIMIIECSA-N 1 2 349.519 4.227 20 30 EIEDLO C[C@@H]1CN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000823539397 1049855481 /nfs/dbraw/zinc/85/54/81/1049855481.db2.gz YJNRSVREBPGWDE-MKKMNNAKSA-N 1 2 327.472 4.185 20 30 EIEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](Cc1ccc(C)cn1)C(=O)OC ZINC001172356398 1049894374 /nfs/dbraw/zinc/89/43/74/1049894374.db2.gz IICMKUOUEYODAA-MJGOQNOKSA-N 1 2 334.504 4.203 20 30 EIEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc(Br)c2[C@@H]1C ZINC000901477022 1050085858 /nfs/dbraw/zinc/08/58/58/1050085858.db2.gz JEWMMPBQXRLBLM-SRMXYGTFSA-N 1 2 331.213 4.049 20 30 EIEDLO O=C1C=C2C[N@H+](C3CCC(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001172822030 1050164734 /nfs/dbraw/zinc/16/47/34/1050164734.db2.gz OZUSCZATINLGNF-NKELODKYSA-N 1 2 327.493 4.062 20 30 EIEDLO O=C1C=C2C[N@@H+](C3CCC(Cc4ccccc4)CC3)CC[C@H]2S1 ZINC001172822030 1050164736 /nfs/dbraw/zinc/16/47/36/1050164736.db2.gz OZUSCZATINLGNF-NKELODKYSA-N 1 2 327.493 4.062 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC001180284713 1050954795 /nfs/dbraw/zinc/95/47/95/1050954795.db2.gz LJJUABJPADFGLA-UHFFFAOYSA-N 1 2 343.854 4.301 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC001180284713 1050954807 /nfs/dbraw/zinc/95/48/07/1050954807.db2.gz LJJUABJPADFGLA-UHFFFAOYSA-N 1 2 343.854 4.301 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1Br ZINC001249461763 1051333453 /nfs/dbraw/zinc/33/34/53/1051333453.db2.gz HELROLOSMBXVMO-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1Br ZINC001249461763 1051333468 /nfs/dbraw/zinc/33/34/68/1051333468.db2.gz HELROLOSMBXVMO-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO CCc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc(CC)c1C#N ZINC001175716756 1051737495 /nfs/dbraw/zinc/73/74/95/1051737495.db2.gz XXDVZTKNPVOHCP-UHFFFAOYSA-N 1 2 334.345 4.423 20 30 EIEDLO NC(Cc1ccccc1)=[NH+]OCc1coc(-c2cccc(Cl)c2)n1 ZINC000072001879 1051894805 /nfs/dbraw/zinc/89/48/05/1051894805.db2.gz ZLLDDBNYBJFJKR-UHFFFAOYSA-N 1 2 341.798 4.027 20 30 EIEDLO CCCCCCCOC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001194004527 1052047131 /nfs/dbraw/zinc/04/71/31/1052047131.db2.gz SXWUJVPZEVIQQY-UHFFFAOYSA-N 1 2 334.460 4.038 20 30 EIEDLO N#Cc1c(Br)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969249 1052136387 /nfs/dbraw/zinc/13/63/87/1052136387.db2.gz YFJDPBYVVHERJP-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000075595374 1052355841 /nfs/dbraw/zinc/35/58/41/1052355841.db2.gz DYBCVBWOFDXTJR-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000075595374 1052355849 /nfs/dbraw/zinc/35/58/49/1052355849.db2.gz DYBCVBWOFDXTJR-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C\c1c[nH+]c2ccccn12 ZINC000764431837 1053100124 /nfs/dbraw/zinc/10/01/24/1053100124.db2.gz GLUKEDXGTRUJNG-YRNVUSSQSA-N 1 2 329.186 4.464 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccccc2C(F)(F)F)s1 ZINC000794689940 1053313922 /nfs/dbraw/zinc/31/39/22/1053313922.db2.gz FBYYYFQDIGAJKK-BQYQJAHWSA-N 1 2 340.370 4.120 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)s1 ZINC000794709865 1053335533 /nfs/dbraw/zinc/33/55/33/1053335533.db2.gz DEMRUPXNBYWMNA-ZHACJKMWSA-N 1 2 344.480 4.278 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000765007357 1053418093 /nfs/dbraw/zinc/41/80/93/1053418093.db2.gz CSHWJIRMFMJEOY-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000765007357 1053418103 /nfs/dbraw/zinc/41/81/03/1053418103.db2.gz CSHWJIRMFMJEOY-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765047856 1053429978 /nfs/dbraw/zinc/42/99/78/1053429978.db2.gz DFPPUAIZSKDNST-IYBDPMFKSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765047856 1053429990 /nfs/dbraw/zinc/42/99/90/1053429990.db2.gz DFPPUAIZSKDNST-IYBDPMFKSA-N 1 2 342.512 4.121 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331920 1053571500 /nfs/dbraw/zinc/57/15/00/1053571500.db2.gz DTQBHOSEOXZGNG-QUCCMNQESA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331920 1053571516 /nfs/dbraw/zinc/57/15/16/1053571516.db2.gz DTQBHOSEOXZGNG-QUCCMNQESA-N 1 2 337.854 4.280 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000866221447 1053656658 /nfs/dbraw/zinc/65/66/58/1053656658.db2.gz PWLVTWGBSKBESC-KGLIPLIRSA-N 1 2 349.434 4.024 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc(C(F)(F)F)cs1 ZINC000866348980 1053699208 /nfs/dbraw/zinc/69/92/08/1053699208.db2.gz FJVRUYZMKBIUFF-IUCAKERBSA-N 1 2 341.358 4.151 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775735740 1053727730 /nfs/dbraw/zinc/72/77/30/1053727730.db2.gz TVHDPMKPECIURF-AEFFLSMTSA-N 1 2 326.827 4.317 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775735740 1053727746 /nfs/dbraw/zinc/72/77/46/1053727746.db2.gz TVHDPMKPECIURF-AEFFLSMTSA-N 1 2 326.827 4.317 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200103 1053806932 /nfs/dbraw/zinc/80/69/32/1053806932.db2.gz VZXSCMCKVBDDEA-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200103 1053806935 /nfs/dbraw/zinc/80/69/35/1053806935.db2.gz VZXSCMCKVBDDEA-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218222 1054096946 /nfs/dbraw/zinc/09/69/46/1054096946.db2.gz DWRIFPXLFIBHKH-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218222 1054096952 /nfs/dbraw/zinc/09/69/52/1054096952.db2.gz DWRIFPXLFIBHKH-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO CC(C)(C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(F)cc(C#N)c1 ZINC000509500681 1054287499 /nfs/dbraw/zinc/28/74/99/1054287499.db2.gz PGUMLQHUNGJRGC-UHFFFAOYSA-N 1 2 348.381 4.004 20 30 EIEDLO Cc1[nH]c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)cc2[nH+]1 ZINC000858230249 1054443828 /nfs/dbraw/zinc/44/38/28/1054443828.db2.gz SSZNMSATNNGDKT-UHFFFAOYSA-N 1 2 344.418 4.194 20 30 EIEDLO C=CCOc1cccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1 ZINC000873175903 1054501960 /nfs/dbraw/zinc/50/19/60/1054501960.db2.gz WIPHWOFWEWIHPE-UHFFFAOYSA-N 1 2 326.440 4.044 20 30 EIEDLO CCCCCCCN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001201804113 1054911653 /nfs/dbraw/zinc/91/16/53/1054911653.db2.gz BOTSLMVDMAHCJL-UHFFFAOYSA-N 1 2 348.506 4.377 20 30 EIEDLO N#Cc1ccc(CC2CC[NH+](Cc3ncc(Cl)s3)CC2)cc1 ZINC001137109961 1054950266 /nfs/dbraw/zinc/95/02/66/1054950266.db2.gz CIHZKFBEIDVETJ-UHFFFAOYSA-N 1 2 331.872 4.123 20 30 EIEDLO COCc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1 ZINC001201954847 1054964835 /nfs/dbraw/zinc/96/48/35/1054964835.db2.gz VWGSGQBZOXYHMM-HNNXBMFYSA-N 1 2 347.418 4.210 20 30 EIEDLO C=C1CC[NH+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 ZINC000878087145 1055183198 /nfs/dbraw/zinc/18/31/98/1055183198.db2.gz HOYZATVERBDNRF-UHFFFAOYSA-N 1 2 335.407 4.050 20 30 EIEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000765818449 1055532787 /nfs/dbraw/zinc/53/27/87/1055532787.db2.gz OKEMCZDQAWPRHT-ACJLOTCBSA-N 1 2 326.419 4.203 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301470056 1055940991 /nfs/dbraw/zinc/94/09/91/1055940991.db2.gz IMZJQXCWACFWFK-UHFFFAOYSA-N 1 2 346.356 4.053 20 30 EIEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554240941 1056044950 /nfs/dbraw/zinc/04/49/50/1056044950.db2.gz BLOJRCLEQAVMEQ-LBPRGKRZSA-N 1 2 345.240 4.219 20 30 EIEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000554240941 1056044961 /nfs/dbraw/zinc/04/49/61/1056044961.db2.gz BLOJRCLEQAVMEQ-LBPRGKRZSA-N 1 2 345.240 4.219 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000302640174 1056059135 /nfs/dbraw/zinc/05/91/35/1056059135.db2.gz HZJFFSVPGSXOSB-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c(F)c1 ZINC000737444723 1058349195 /nfs/dbraw/zinc/34/91/95/1058349195.db2.gz STEJNMCDMTZVTC-UTCJRWHESA-N 1 2 330.746 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](C)Cc1ccsc1 ZINC000743274338 1058915484 /nfs/dbraw/zinc/91/54/84/1058915484.db2.gz YOQMVRCXLKNEAS-ODLFYWEKSA-N 1 2 340.492 4.061 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000743274338 1058915506 /nfs/dbraw/zinc/91/55/06/1058915506.db2.gz YOQMVRCXLKNEAS-ODLFYWEKSA-N 1 2 340.492 4.061 20 30 EIEDLO C=CCc1cc(C)c[nH+]c1NCc1cc(C)c(Br)cn1 ZINC001169205038 1060704406 /nfs/dbraw/zinc/70/44/06/1060704406.db2.gz ZRFOZDQOHRUCBR-UHFFFAOYSA-N 1 2 332.245 4.197 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001169507518 1060840540 /nfs/dbraw/zinc/84/05/40/1060840540.db2.gz PSGPACSFFCAMIH-NRFANRHFSA-N 1 2 337.850 4.213 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001169507518 1060840545 /nfs/dbraw/zinc/84/05/45/1060840545.db2.gz PSGPACSFFCAMIH-NRFANRHFSA-N 1 2 337.850 4.213 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060464903 1032128505 /nfs/dbraw/zinc/12/85/05/1032128505.db2.gz LTFLAXPGMZUYJJ-UHFFFAOYSA-N 1 2 348.899 4.292 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060464903 1032128512 /nfs/dbraw/zinc/12/85/12/1032128512.db2.gz LTFLAXPGMZUYJJ-UHFFFAOYSA-N 1 2 348.899 4.292 20 30 EIEDLO C=CCC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000532939828 1032413584 /nfs/dbraw/zinc/41/35/84/1032413584.db2.gz WTNMPYKMDGGRJX-IBGZPJMESA-N 1 2 333.435 4.009 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1C ZINC000177601310 1032508432 /nfs/dbraw/zinc/50/84/32/1032508432.db2.gz FHNLSCZVFGRRSC-HNNXBMFYSA-N 1 2 345.512 4.240 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1C ZINC000177601310 1032508444 /nfs/dbraw/zinc/50/84/44/1032508444.db2.gz FHNLSCZVFGRRSC-HNNXBMFYSA-N 1 2 345.512 4.240 20 30 EIEDLO COCC1(C#N)CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450522234 1032545729 /nfs/dbraw/zinc/54/57/29/1032545729.db2.gz YUAGRCCKXDQMID-UHFFFAOYSA-N 1 2 349.356 4.010 20 30 EIEDLO C=CCC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000450536716 1032555354 /nfs/dbraw/zinc/55/53/54/1032555354.db2.gz AOYSMQQXYQHHPY-UHFFFAOYSA-N 1 2 343.515 4.429 20 30 EIEDLO N#Cc1ccc2c(c1)CC/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783710120 1032560456 /nfs/dbraw/zinc/56/04/56/1032560456.db2.gz ACLLPBHNBMHUGE-NVNXTCNLSA-N 1 2 331.400 4.018 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccc1Cl ZINC000512408224 1032695694 /nfs/dbraw/zinc/69/56/94/1032695694.db2.gz CLBPSSHCZJGUEF-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccc1Cl ZINC000512408224 1032695703 /nfs/dbraw/zinc/69/57/03/1032695703.db2.gz CLBPSSHCZJGUEF-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000274783596 1019471384 /nfs/dbraw/zinc/47/13/84/1019471384.db2.gz AESCVAFCLPWUQS-UHFFFAOYSA-N 1 2 333.407 4.214 20 30 EIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000274911855 1019853121 /nfs/dbraw/zinc/85/31/21/1019853121.db2.gz WNKPRJVBWANQHC-PIGZYNQJSA-N 1 2 335.350 4.312 20 30 EIEDLO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000185926245 1021668318 /nfs/dbraw/zinc/66/83/18/1021668318.db2.gz SBEASRSFISFLHK-ZDUSSCGKSA-N 1 2 342.361 4.393 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OC)c(CC)o1)c1ccc(F)c(F)c1 ZINC000549377041 1022127516 /nfs/dbraw/zinc/12/75/16/1022127516.db2.gz CMDCDTJKRBZZLK-GOSISDBHSA-N 1 2 349.377 4.314 20 30 EIEDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000179924379 1022399079 /nfs/dbraw/zinc/39/90/79/1022399079.db2.gz MNNFUJJEVNRLFG-INIZCTEOSA-N 1 2 336.439 4.147 20 30 EIEDLO COc1ccc2[nH]cc(C(=O)/C=C\c3c[nH+]c4c(C)cccn34)c2c1 ZINC000255225851 1022436093 /nfs/dbraw/zinc/43/60/93/1022436093.db2.gz CQOWBMNCVIYSPW-YVMONPNESA-N 1 2 331.375 4.029 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000276358149 1023366496 /nfs/dbraw/zinc/36/64/96/1023366496.db2.gz FNABDTIDXBBSAR-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000276358149 1023366499 /nfs/dbraw/zinc/36/64/99/1023366499.db2.gz FNABDTIDXBBSAR-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO Cc1cc(Cl)c2ncc(C#N)c(NCCCCn3cc[nH+]c3)c2c1 ZINC000549258786 1023577721 /nfs/dbraw/zinc/57/77/21/1023577721.db2.gz QPPQKFVBMIJZBQ-UHFFFAOYSA-N 1 2 339.830 4.157 20 30 EIEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000651748275 1023973453 /nfs/dbraw/zinc/97/34/53/1023973453.db2.gz GKDZJBIXFLQWDK-COXVUDFISA-N 1 2 331.847 4.455 20 30 EIEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661379508 1024081841 /nfs/dbraw/zinc/08/18/41/1024081841.db2.gz CUKJFGIZYOJKPV-GFCCVEGCSA-N 1 2 327.255 4.220 20 30 EIEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661379508 1024081865 /nfs/dbraw/zinc/08/18/65/1024081865.db2.gz CUKJFGIZYOJKPV-GFCCVEGCSA-N 1 2 327.255 4.220 20 30 EIEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2nccn2CC)c1 ZINC000430878057 1024162390 /nfs/dbraw/zinc/16/23/90/1024162390.db2.gz GRJGRMKVSIZLKX-LJQANCHMSA-N 1 2 325.456 4.195 20 30 EIEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccn2CC)c1 ZINC000430878057 1024162399 /nfs/dbraw/zinc/16/23/99/1024162399.db2.gz GRJGRMKVSIZLKX-LJQANCHMSA-N 1 2 325.456 4.195 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccsc1Br)c1ccc(C#N)cc1F ZINC000510986100 1025003565 /nfs/dbraw/zinc/00/35/65/1025003565.db2.gz OKKZMQMTMMGOQX-SECBINFHSA-N 1 2 339.233 4.372 20 30 EIEDLO C[NH+](C)[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000543391376 1025799026 /nfs/dbraw/zinc/79/90/26/1025799026.db2.gz MTHMCBZNORWJFB-INIZCTEOSA-N 1 2 348.233 4.106 20 30 EIEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000609513033 1026131905 /nfs/dbraw/zinc/13/19/05/1026131905.db2.gz IMSCVGHBPXKRJI-CQSZACIVSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000609513033 1026131923 /nfs/dbraw/zinc/13/19/23/1026131923.db2.gz IMSCVGHBPXKRJI-CQSZACIVSA-N 1 2 345.368 4.052 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccn1 ZINC000182086550 1026212607 /nfs/dbraw/zinc/21/26/07/1026212607.db2.gz ASGOAUCOFHFCKH-ZHRRBRCNSA-N 1 2 343.430 4.402 20 30 EIEDLO CC[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1Br ZINC000507116577 1026639225 /nfs/dbraw/zinc/63/92/25/1026639225.db2.gz MHUYFFAHIZWETH-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1Br ZINC000507116577 1026639232 /nfs/dbraw/zinc/63/92/32/1026639232.db2.gz MHUYFFAHIZWETH-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO CCN(CC)c1ccc(NCc2cccc(OCCCC#N)c2)c[nH+]1 ZINC000344855921 1026644589 /nfs/dbraw/zinc/64/45/89/1026644589.db2.gz OGYLWPLXESWLJK-UHFFFAOYSA-N 1 2 338.455 4.222 20 30 EIEDLO C=CC[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000507660161 1026869523 /nfs/dbraw/zinc/86/95/23/1026869523.db2.gz MGZMWVKETSBNTF-UHFFFAOYSA-N 1 2 348.446 4.462 20 30 EIEDLO C=CC[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000507660161 1026869527 /nfs/dbraw/zinc/86/95/27/1026869527.db2.gz MGZMWVKETSBNTF-UHFFFAOYSA-N 1 2 348.446 4.462 20 30 EIEDLO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(C(F)(F)F)c1 ZINC001143447955 1027438545 /nfs/dbraw/zinc/43/85/45/1027438545.db2.gz IZHZUDMNFLVLEH-UHFFFAOYSA-N 1 2 330.353 4.444 20 30 EIEDLO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(C(F)(F)F)c1 ZINC001143447955 1027438555 /nfs/dbraw/zinc/43/85/55/1027438555.db2.gz IZHZUDMNFLVLEH-UHFFFAOYSA-N 1 2 330.353 4.444 20 30 EIEDLO O=C(CC[C@H]1CCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329095126 1027586618 /nfs/dbraw/zinc/58/66/18/1027586618.db2.gz KRHBWMPENXLCLD-HNNXBMFYSA-N 1 2 339.439 4.291 20 30 EIEDLO C=CC[N@@H+](Cc1nc2ccc(OC)cc2s1)Cc1cccc(C#N)c1 ZINC000475574340 1027697959 /nfs/dbraw/zinc/69/79/59/1027697959.db2.gz WHULEIAPOYASIX-UHFFFAOYSA-N 1 2 349.459 4.365 20 30 EIEDLO C=CC[N@H+](Cc1nc2ccc(OC)cc2s1)Cc1cccc(C#N)c1 ZINC000475574340 1027697980 /nfs/dbraw/zinc/69/79/80/1027697980.db2.gz WHULEIAPOYASIX-UHFFFAOYSA-N 1 2 349.459 4.365 20 30 EIEDLO C[C@@H]1CCN(C(=O)Nc2cccc3ccsc32)C[C@H]1n1cc[nH+]c1 ZINC000328809852 1027808921 /nfs/dbraw/zinc/80/89/21/1027808921.db2.gz MNWIMZAMYMGMFK-CZUORRHYSA-N 1 2 340.452 4.226 20 30 EIEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1=O ZINC000328903416 1027822259 /nfs/dbraw/zinc/82/22/59/1027822259.db2.gz HWDZMVAWCSLNHH-NEPJUHHUSA-N 1 2 331.803 4.119 20 30 EIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1(C2CC2)CCOCC1 ZINC000330061884 1028193706 /nfs/dbraw/zinc/19/37/06/1028193706.db2.gz OQZMSUOGPPEACS-UHFFFAOYSA-N 1 2 325.412 4.180 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)CCO1 ZINC000330320535 1028455532 /nfs/dbraw/zinc/45/55/32/1028455532.db2.gz FGCWODOVHVIMEK-INMHGKMJSA-N 1 2 333.476 4.203 20 30 EIEDLO COc1cc(C[N@H+](C)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000343253041 1028809179 /nfs/dbraw/zinc/80/91/79/1028809179.db2.gz SWEHBRIPSHJKNG-UHFFFAOYSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cc(C[N@@H+](C)CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000343253041 1028809182 /nfs/dbraw/zinc/80/91/82/1028809182.db2.gz SWEHBRIPSHJKNG-UHFFFAOYSA-N 1 2 336.435 4.010 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccc(C#N)cc1F ZINC000347158857 1028894800 /nfs/dbraw/zinc/89/48/00/1028894800.db2.gz FJGCZFGVZDVQMI-CABCVRRESA-N 1 2 334.398 4.295 20 30 EIEDLO C[C@@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000522833840 1028984272 /nfs/dbraw/zinc/98/42/72/1028984272.db2.gz ODEUYRWQOUQDHW-IFXJQAMLSA-N 1 2 326.440 4.376 20 30 EIEDLO C[C@@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000522833840 1028984292 /nfs/dbraw/zinc/98/42/92/1028984292.db2.gz ODEUYRWQOUQDHW-IFXJQAMLSA-N 1 2 326.440 4.376 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000583646671 1028986940 /nfs/dbraw/zinc/98/69/40/1028986940.db2.gz CISZLVSMUYDTMG-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000583646671 1028986956 /nfs/dbraw/zinc/98/69/56/1028986956.db2.gz CISZLVSMUYDTMG-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO C[N@H+](Cc1cccc(Br)c1)Cc1cccc(F)c1C#N ZINC000428473383 1029915409 /nfs/dbraw/zinc/91/54/09/1029915409.db2.gz MEFFFMGBSYQJDI-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(F)c1C#N ZINC000428473383 1029915427 /nfs/dbraw/zinc/91/54/27/1029915427.db2.gz MEFFFMGBSYQJDI-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186057805 1030245272 /nfs/dbraw/zinc/24/52/72/1030245272.db2.gz WMXUESFCBBJKDM-QGZVFWFLSA-N 1 2 343.430 4.006 20 30 EIEDLO C=CCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1F ZINC000526083105 1030263387 /nfs/dbraw/zinc/26/33/87/1030263387.db2.gz TXWWEDGWCXCKAA-UHFFFAOYSA-N 1 2 335.426 4.259 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000526120150 1030300844 /nfs/dbraw/zinc/30/08/44/1030300844.db2.gz TVUBOGDFEIQIEL-GOSISDBHSA-N 1 2 336.826 4.425 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000526120150 1030300864 /nfs/dbraw/zinc/30/08/64/1030300864.db2.gz TVUBOGDFEIQIEL-GOSISDBHSA-N 1 2 336.826 4.425 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCC1 ZINC000191970929 1030670091 /nfs/dbraw/zinc/67/00/91/1030670091.db2.gz VLDOGKNEYSGYMQ-CQSZACIVSA-N 1 2 333.501 4.060 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCC1 ZINC000191970929 1030670099 /nfs/dbraw/zinc/67/00/99/1030670099.db2.gz VLDOGKNEYSGYMQ-CQSZACIVSA-N 1 2 333.501 4.060 20 30 EIEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(Br)o1 ZINC000448451203 1030802867 /nfs/dbraw/zinc/80/28/67/1030802867.db2.gz DGTCSHCAFMJNHI-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(Br)o1 ZINC000448451203 1030802872 /nfs/dbraw/zinc/80/28/72/1030802872.db2.gz DGTCSHCAFMJNHI-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO N#CCc1ccc[nH+]c1NCc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001168141518 1031477019 /nfs/dbraw/zinc/47/70/19/1031477019.db2.gz UGWNNHVHQQEDFE-UHFFFAOYSA-N 1 2 336.345 4.100 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCC1 ZINC000449205063 1031529596 /nfs/dbraw/zinc/52/95/96/1031529596.db2.gz KOOOLIXJSSAMSK-UHFFFAOYSA-N 1 2 333.501 4.204 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365291216 1031608120 /nfs/dbraw/zinc/60/81/20/1031608120.db2.gz OLYHKCYGRABXTQ-GFCCVEGCSA-N 1 2 338.411 4.067 20 30 EIEDLO CCCc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104963065 1031656969 /nfs/dbraw/zinc/65/69/69/1031656969.db2.gz AHVUFQYIJOFWEK-UHFFFAOYSA-N 1 2 341.480 4.011 20 30 EIEDLO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1 ZINC000026327590 1031927670 /nfs/dbraw/zinc/92/76/70/1031927670.db2.gz ZPCSXKRLRCQBLS-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1 ZINC000026327590 1031927682 /nfs/dbraw/zinc/92/76/82/1031927682.db2.gz ZPCSXKRLRCQBLS-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000459363287 1031941895 /nfs/dbraw/zinc/94/18/95/1031941895.db2.gz ZCCYBVZPLAHEKM-IBGZPJMESA-N 1 2 333.391 4.118 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000459363287 1031941906 /nfs/dbraw/zinc/94/19/06/1031941906.db2.gz ZCCYBVZPLAHEKM-IBGZPJMESA-N 1 2 333.391 4.118 20 30 EIEDLO CC[N@@H+](Cc1ccc(Br)cc1SC)C[C@H](C)C#N ZINC000509771283 1033396315 /nfs/dbraw/zinc/39/63/15/1033396315.db2.gz FDEAFBDRYDDKOQ-LLVKDONJSA-N 1 2 327.291 4.153 20 30 EIEDLO CC[N@H+](Cc1ccc(Br)cc1SC)C[C@H](C)C#N ZINC000509771283 1033396335 /nfs/dbraw/zinc/39/63/35/1033396335.db2.gz FDEAFBDRYDDKOQ-LLVKDONJSA-N 1 2 327.291 4.153 20 30 EIEDLO CC[N@@H+](Cc1ccc(Br)cc1SC)C[C@@H](C)C#N ZINC000509771286 1033398811 /nfs/dbraw/zinc/39/88/11/1033398811.db2.gz FDEAFBDRYDDKOQ-NSHDSACASA-N 1 2 327.291 4.153 20 30 EIEDLO CC[N@H+](Cc1ccc(Br)cc1SC)C[C@@H](C)C#N ZINC000509771286 1033398833 /nfs/dbraw/zinc/39/88/33/1033398833.db2.gz FDEAFBDRYDDKOQ-NSHDSACASA-N 1 2 327.291 4.153 20 30 EIEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCc1ccccc1 ZINC000509767117 1033406740 /nfs/dbraw/zinc/40/67/40/1033406740.db2.gz RWNCTCSFAQPVNH-QGZVFWFLSA-N 1 2 338.451 4.256 20 30 EIEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCc1ccccc1 ZINC000509767117 1033406755 /nfs/dbraw/zinc/40/67/55/1033406755.db2.gz RWNCTCSFAQPVNH-QGZVFWFLSA-N 1 2 338.451 4.256 20 30 EIEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCc1ccc(F)cc1 ZINC000509767137 1033408186 /nfs/dbraw/zinc/40/81/86/1033408186.db2.gz SCBVWPSDQCMCJI-HNNXBMFYSA-N 1 2 342.414 4.005 20 30 EIEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCc1ccc(F)cc1 ZINC000509767137 1033408228 /nfs/dbraw/zinc/40/82/28/1033408228.db2.gz SCBVWPSDQCMCJI-HNNXBMFYSA-N 1 2 342.414 4.005 20 30 EIEDLO CCS[C@H](C)c1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433007507 1033642798 /nfs/dbraw/zinc/64/27/98/1033642798.db2.gz ACFYNMKWORZSLA-ZBFHGGJFSA-N 1 2 344.484 4.408 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000509811204 1034041366 /nfs/dbraw/zinc/04/13/66/1034041366.db2.gz YKZWZWWDIBXNRB-MRXNPFEDSA-N 1 2 348.425 4.270 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000509811204 1034041383 /nfs/dbraw/zinc/04/13/83/1034041383.db2.gz YKZWZWWDIBXNRB-MRXNPFEDSA-N 1 2 348.425 4.270 20 30 EIEDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](C)C#N ZINC000509814832 1034046385 /nfs/dbraw/zinc/04/63/85/1034046385.db2.gz WFKSBUMGZIIGMU-LBPRGKRZSA-N 1 2 347.802 4.490 20 30 EIEDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](C)C#N ZINC000509814832 1034046401 /nfs/dbraw/zinc/04/64/01/1034046401.db2.gz WFKSBUMGZIIGMU-LBPRGKRZSA-N 1 2 347.802 4.490 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000614397428 1034535256 /nfs/dbraw/zinc/53/52/56/1034535256.db2.gz UDLSZRJJWFWHRL-IBGZPJMESA-N 1 2 326.827 4.094 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000614397428 1034535261 /nfs/dbraw/zinc/53/52/61/1034535261.db2.gz UDLSZRJJWFWHRL-IBGZPJMESA-N 1 2 326.827 4.094 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000614405824 1034552817 /nfs/dbraw/zinc/55/28/17/1034552817.db2.gz IKWOQLOCIBEHBN-IBGZPJMESA-N 1 2 326.827 4.094 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000614405824 1034552826 /nfs/dbraw/zinc/55/28/26/1034552826.db2.gz IKWOQLOCIBEHBN-IBGZPJMESA-N 1 2 326.827 4.094 20 30 EIEDLO CC1CCC(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000345953659 1035335729 /nfs/dbraw/zinc/33/57/29/1035335729.db2.gz ZNLDWKIWZWAFQH-UHFFFAOYSA-N 1 2 330.447 4.257 20 30 EIEDLO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Br ZINC000485018020 1035628046 /nfs/dbraw/zinc/62/80/46/1035628046.db2.gz BSYHVCRCGVUIGS-UHFFFAOYSA-N 1 2 347.231 4.286 20 30 EIEDLO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Br ZINC000485018020 1035628070 /nfs/dbraw/zinc/62/80/70/1035628070.db2.gz BSYHVCRCGVUIGS-UHFFFAOYSA-N 1 2 347.231 4.286 20 30 EIEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000596326657 1035852337 /nfs/dbraw/zinc/85/23/37/1035852337.db2.gz YHKCTIPMSHESQW-GFCCVEGCSA-N 1 2 330.229 4.127 20 30 EIEDLO N#CC[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000596326670 1035852927 /nfs/dbraw/zinc/85/29/27/1035852927.db2.gz YRTRCEOMRMJILC-NSHDSACASA-N 1 2 348.219 4.266 20 30 EIEDLO CCc1cc(C#N)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571101769 1035949278 /nfs/dbraw/zinc/94/92/78/1035949278.db2.gz BEWUBJNCDWZOKG-OAHLLOKOSA-N 1 2 347.871 4.077 20 30 EIEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000618807703 1036054898 /nfs/dbraw/zinc/05/48/98/1036054898.db2.gz VVUYSZNCTNTFFT-OALUTQOASA-N 1 2 326.390 4.402 20 30 EIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000597232683 1036165216 /nfs/dbraw/zinc/16/52/16/1036165216.db2.gz VKZHIXWUMINLGY-NRFANRHFSA-N 1 2 334.467 4.401 20 30 EIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000597232683 1036165226 /nfs/dbraw/zinc/16/52/26/1036165226.db2.gz VKZHIXWUMINLGY-NRFANRHFSA-N 1 2 334.467 4.401 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cccs1 ZINC000016395411 1036370498 /nfs/dbraw/zinc/37/04/98/1036370498.db2.gz LLJXUOUSTBNAKK-AWEZNQCLSA-N 1 2 348.899 4.267 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cccs1 ZINC000016395411 1036370519 /nfs/dbraw/zinc/37/05/19/1036370519.db2.gz LLJXUOUSTBNAKK-AWEZNQCLSA-N 1 2 348.899 4.267 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000602807378 1036630269 /nfs/dbraw/zinc/63/02/69/1036630269.db2.gz SLHSVIOZMPVMBE-UHFFFAOYSA-N 1 2 332.407 4.015 20 30 EIEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980362 1036688258 /nfs/dbraw/zinc/68/82/58/1036688258.db2.gz PHRWUTZWOJJHBP-MAUKXSAKSA-N 1 2 340.858 4.230 20 30 EIEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980362 1036688270 /nfs/dbraw/zinc/68/82/70/1036688270.db2.gz PHRWUTZWOJJHBP-MAUKXSAKSA-N 1 2 340.858 4.230 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)n2)cc1 ZINC000599368881 1036980475 /nfs/dbraw/zinc/98/04/75/1036980475.db2.gz BLIGCAQWWOOKMH-OAHLLOKOSA-N 1 2 346.434 4.330 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487157911 1037014311 /nfs/dbraw/zinc/01/43/11/1037014311.db2.gz PMIUYUWNZMPEJK-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487157911 1037014339 /nfs/dbraw/zinc/01/43/39/1037014339.db2.gz PMIUYUWNZMPEJK-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO COc1cc(C#N)ccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599698758 1037128772 /nfs/dbraw/zinc/12/87/72/1037128772.db2.gz KTHBLUHMBDJXJJ-UHFFFAOYSA-N 1 2 328.362 4.014 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1csc(-c3ccoc3)n1)C2 ZINC000599678400 1037132306 /nfs/dbraw/zinc/13/23/06/1037132306.db2.gz IYYMCVSHQKKXBC-UHFFFAOYSA-N 1 2 335.432 4.027 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1csc(-c3ccoc3)n1)C2 ZINC000599678400 1037132326 /nfs/dbraw/zinc/13/23/26/1037132326.db2.gz IYYMCVSHQKKXBC-UHFFFAOYSA-N 1 2 335.432 4.027 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000489425226 1038039880 /nfs/dbraw/zinc/03/98/80/1038039880.db2.gz KBWSYCPTCJCROO-MRXNPFEDSA-N 1 2 332.444 4.402 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000489425226 1038039898 /nfs/dbraw/zinc/03/98/98/1038039898.db2.gz KBWSYCPTCJCROO-MRXNPFEDSA-N 1 2 332.444 4.402 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c(OC)c1 ZINC000489565773 1038138815 /nfs/dbraw/zinc/13/88/15/1038138815.db2.gz JZCDUSYFFZHRQP-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c(OC)c1 ZINC000489565773 1038138830 /nfs/dbraw/zinc/13/88/30/1038138830.db2.gz JZCDUSYFFZHRQP-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)ccc1OC ZINC000063297608 1038202080 /nfs/dbraw/zinc/20/20/80/1038202080.db2.gz UXYKUZFICKIXPP-UHFFFAOYSA-N 1 2 326.396 4.100 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)ccc1OC ZINC000063297608 1038202105 /nfs/dbraw/zinc/20/21/05/1038202105.db2.gz UXYKUZFICKIXPP-UHFFFAOYSA-N 1 2 326.396 4.100 20 30 EIEDLO N#Cc1ccc(C2([NH2+]Cc3ncc(-c4cccs4)o3)CCC2)cc1 ZINC000594031832 1038227839 /nfs/dbraw/zinc/22/78/39/1038227839.db2.gz KSCVXEVSEWXWMQ-UHFFFAOYSA-N 1 2 335.432 4.444 20 30 EIEDLO Cc1[nH+]c2ccc(Br)cc2c(N(C)C[C@@H](C)C#N)c1C ZINC000539187838 1038869409 /nfs/dbraw/zinc/86/94/09/1038869409.db2.gz RYADQCNIXJQJBD-JTQLQIEISA-N 1 2 332.245 4.210 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000552137362 1039173501 /nfs/dbraw/zinc/17/35/01/1039173501.db2.gz PXBCRPHIRDEUJI-CQSZACIVSA-N 1 2 332.444 4.211 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000552137362 1039173509 /nfs/dbraw/zinc/17/35/09/1039173509.db2.gz PXBCRPHIRDEUJI-CQSZACIVSA-N 1 2 332.444 4.211 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2C(C)C)C(C)(C)C)cc1 ZINC000434469110 1039498911 /nfs/dbraw/zinc/49/89/11/1039498911.db2.gz HEVCWIDHNIBYJV-UHFFFAOYSA-N 1 2 342.487 4.225 20 30 EIEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2C(C)C)C(C)(C)C)cc1 ZINC000434469110 1039498979 /nfs/dbraw/zinc/49/89/79/1039498979.db2.gz HEVCWIDHNIBYJV-UHFFFAOYSA-N 1 2 342.487 4.225 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)nc1 ZINC000555674242 1039520621 /nfs/dbraw/zinc/52/06/21/1039520621.db2.gz NPFGJOVFKDCACT-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)nc1 ZINC000555674242 1039520642 /nfs/dbraw/zinc/52/06/42/1039520642.db2.gz NPFGJOVFKDCACT-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000093100858 1039626230 /nfs/dbraw/zinc/62/62/30/1039626230.db2.gz TZQKOIATURSSRS-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000093100858 1039626249 /nfs/dbraw/zinc/62/62/49/1039626249.db2.gz TZQKOIATURSSRS-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1 ZINC000491229923 1039734330 /nfs/dbraw/zinc/73/43/30/1039734330.db2.gz JUOIMGZKSCNLPE-LJQANCHMSA-N 1 2 333.822 4.261 20 30 EIEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)c1C#N ZINC000535221518 1040079100 /nfs/dbraw/zinc/07/91/00/1040079100.db2.gz UMMRSVKKCOYOKG-AWEZNQCLSA-N 1 2 348.402 4.284 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)c1C#N ZINC000535221518 1040079113 /nfs/dbraw/zinc/07/91/13/1040079113.db2.gz UMMRSVKKCOYOKG-AWEZNQCLSA-N 1 2 348.402 4.284 20 30 EIEDLO N#Cc1ccccc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000551358785 1040234866 /nfs/dbraw/zinc/23/48/66/1040234866.db2.gz NUYDAQBLNPAHKL-UHFFFAOYSA-N 1 2 329.403 4.337 20 30 EIEDLO COc1ccccc1C(C)(C)[NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000160552900 1040594358 /nfs/dbraw/zinc/59/43/58/1040594358.db2.gz PBOGETQSAIGHMM-UHFFFAOYSA-N 1 2 347.418 4.247 20 30 EIEDLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC001233174277 1040634919 /nfs/dbraw/zinc/63/49/19/1040634919.db2.gz HFMAQGASVAKHGY-JTQLQIEISA-N 1 2 335.288 4.491 20 30 EIEDLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC001233174277 1040634926 /nfs/dbraw/zinc/63/49/26/1040634926.db2.gz HFMAQGASVAKHGY-JTQLQIEISA-N 1 2 335.288 4.491 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824155 1040806265 /nfs/dbraw/zinc/80/62/65/1040806265.db2.gz ZPIFYXDSZLMNKQ-RBUKOAKNSA-N 1 2 335.407 4.175 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824155 1040806267 /nfs/dbraw/zinc/80/62/67/1040806267.db2.gz ZPIFYXDSZLMNKQ-RBUKOAKNSA-N 1 2 335.407 4.175 20 30 EIEDLO N#Cc1cc(F)ccc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462832320 1041013285 /nfs/dbraw/zinc/01/32/85/1041013285.db2.gz FPYTWTOEOUHQFC-HNNXBMFYSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1cc(F)ccc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462832320 1041013297 /nfs/dbraw/zinc/01/32/97/1041013297.db2.gz FPYTWTOEOUHQFC-HNNXBMFYSA-N 1 2 345.368 4.052 20 30 EIEDLO COc1cc[nH+]c(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1 ZINC000425530674 1041165108 /nfs/dbraw/zinc/16/51/08/1041165108.db2.gz FYCQWQADDRPDMV-ZDUSSCGKSA-N 1 2 349.356 4.023 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000425538154 1041201537 /nfs/dbraw/zinc/20/15/37/1041201537.db2.gz RQDBFAQSZOSXOY-GOSISDBHSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000425538154 1041201551 /nfs/dbraw/zinc/20/15/51/1041201551.db2.gz RQDBFAQSZOSXOY-GOSISDBHSA-N 1 2 344.462 4.190 20 30 EIEDLO C=CCN(CC=C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425670946 1041586729 /nfs/dbraw/zinc/58/67/29/1041586729.db2.gz GSIALJOOOMDYEB-UHFFFAOYSA-N 1 2 336.439 4.092 20 30 EIEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782347 1041753460 /nfs/dbraw/zinc/75/34/60/1041753460.db2.gz OLTJDGLZWQDKRD-JKSUJKDBSA-N 1 2 337.423 4.088 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000437600615 1041854972 /nfs/dbraw/zinc/85/49/72/1041854972.db2.gz DOQKVTSDECFTEA-FQEVSTJZSA-N 1 2 349.865 4.415 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000437600615 1041854978 /nfs/dbraw/zinc/85/49/78/1041854978.db2.gz DOQKVTSDECFTEA-FQEVSTJZSA-N 1 2 349.865 4.415 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc2nc(C)cc(C)n12 ZINC000506126777 1041904662 /nfs/dbraw/zinc/90/46/62/1041904662.db2.gz VJSSHHGOSUXYOT-UHFFFAOYSA-N 1 2 346.887 4.249 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc2nc(C)cc(C)n12 ZINC000506126777 1041904669 /nfs/dbraw/zinc/90/46/69/1041904669.db2.gz VJSSHHGOSUXYOT-UHFFFAOYSA-N 1 2 346.887 4.249 20 30 EIEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000426358254 1042597446 /nfs/dbraw/zinc/59/74/46/1042597446.db2.gz VETZTYOGHQLWNO-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000426358254 1042597451 /nfs/dbraw/zinc/59/74/51/1042597451.db2.gz VETZTYOGHQLWNO-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)o1 ZINC000506559519 1042608497 /nfs/dbraw/zinc/60/84/97/1042608497.db2.gz FRZHSMYBLOVXOV-UHFFFAOYSA-N 1 2 349.203 4.217 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cc(Br)ccc2F)C2CC2)o1 ZINC000506559519 1042608503 /nfs/dbraw/zinc/60/85/03/1042608503.db2.gz FRZHSMYBLOVXOV-UHFFFAOYSA-N 1 2 349.203 4.217 20 30 EIEDLO C=CCOc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000894389334 1042788405 /nfs/dbraw/zinc/78/84/05/1042788405.db2.gz PJHNAQMRVWGIJJ-UHFFFAOYSA-N 1 2 328.359 4.017 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000520492512 1042857842 /nfs/dbraw/zinc/85/78/42/1042857842.db2.gz RNDUVEUYQBPAOW-LJQANCHMSA-N 1 2 344.418 4.335 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000520492512 1042857846 /nfs/dbraw/zinc/85/78/46/1042857846.db2.gz RNDUVEUYQBPAOW-LJQANCHMSA-N 1 2 344.418 4.335 20 30 EIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459123167 1042961425 /nfs/dbraw/zinc/96/14/25/1042961425.db2.gz OWRMPZQINBLPJW-UHFFFAOYSA-N 1 2 349.887 4.311 20 30 EIEDLO CC[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1O ZINC000925364244 1043162091 /nfs/dbraw/zinc/16/20/91/1043162091.db2.gz NTJLJNUXMHNCBX-QGZVFWFLSA-N 1 2 346.377 4.149 20 30 EIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3c(cc1C#N)CCCC3(C)C)CCC2 ZINC000428140211 1043342519 /nfs/dbraw/zinc/34/25/19/1043342519.db2.gz IEXWFQJWPKXJNI-MRXNPFEDSA-N 1 2 349.482 4.062 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1sccc1Br ZINC000730146416 1043456014 /nfs/dbraw/zinc/45/60/14/1043456014.db2.gz VMPPEVAGWMXRLP-UHFFFAOYSA-N 1 2 346.253 4.317 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Br)s1 ZINC000730148022 1043457237 /nfs/dbraw/zinc/45/72/37/1043457237.db2.gz MGYVIBJEENVWOW-UHFFFAOYSA-N 1 2 346.253 4.317 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1OC(F)F ZINC000730146526 1043457277 /nfs/dbraw/zinc/45/72/77/1043457277.db2.gz ADOCCEYEHYFCLT-UHFFFAOYSA-N 1 2 327.334 4.094 20 30 EIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000731159082 1043704591 /nfs/dbraw/zinc/70/45/91/1043704591.db2.gz LZHXWLJITGUYIQ-OWOJBTEDSA-N 1 2 334.219 4.343 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000175027234 1044341319 /nfs/dbraw/zinc/34/13/19/1044341319.db2.gz ZPHMZIVCMQGVCL-RYUDHWBXSA-N 1 2 345.805 4.029 20 30 EIEDLO C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000522197456 1044369796 /nfs/dbraw/zinc/36/97/96/1044369796.db2.gz UPHDADLGRLEAJC-OAHLLOKOSA-N 1 2 349.459 4.445 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757319 1044439004 /nfs/dbraw/zinc/43/90/04/1044439004.db2.gz QSJAHRFBIPPBIL-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757319 1044439016 /nfs/dbraw/zinc/43/90/16/1044439016.db2.gz QSJAHRFBIPPBIL-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO CC(N=Nc1cc(F)c(F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000734302906 1044529181 /nfs/dbraw/zinc/52/91/81/1044529181.db2.gz USJVIXJRFIEGNU-UHFFFAOYSA-N 1 2 330.313 4.126 20 30 EIEDLO N#Cc1ccc(F)c(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884705 1044816842 /nfs/dbraw/zinc/81/68/42/1044816842.db2.gz HHSTZFSTBDFXIJ-MSOLQXFVSA-N 1 2 348.381 4.303 20 30 EIEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000331172566 1044932900 /nfs/dbraw/zinc/93/29/00/1044932900.db2.gz OPDVNYQDPFKSST-UONOGXRCSA-N 1 2 339.361 4.045 20 30 EIEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000331172566 1044932915 /nfs/dbraw/zinc/93/29/15/1044932915.db2.gz OPDVNYQDPFKSST-UONOGXRCSA-N 1 2 339.361 4.045 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915210011 1045185950 /nfs/dbraw/zinc/18/59/50/1045185950.db2.gz XVGWUIFXUSARKJ-AWEZNQCLSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915210011 1045185966 /nfs/dbraw/zinc/18/59/66/1045185966.db2.gz XVGWUIFXUSARKJ-AWEZNQCLSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762467308 1045249597 /nfs/dbraw/zinc/24/95/97/1045249597.db2.gz QSCMUKLHICAGKM-KRWDZBQOSA-N 1 2 328.485 4.093 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2c2ccccc2)c1=S ZINC000762467308 1045249606 /nfs/dbraw/zinc/24/96/06/1045249606.db2.gz QSCMUKLHICAGKM-KRWDZBQOSA-N 1 2 328.485 4.093 20 30 EIEDLO C=C(C)COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741026528 1045256394 /nfs/dbraw/zinc/25/63/94/1045256394.db2.gz PCZMIVZJHLTKEL-OAHLLOKOSA-N 1 2 329.362 4.208 20 30 EIEDLO COc1ccc(C[NH+](Cc2ccc(OC)cc2)CC2(C#N)CC2)cc1 ZINC000611429544 1045305212 /nfs/dbraw/zinc/30/52/12/1045305212.db2.gz MSCSWLKDLTZYSD-UHFFFAOYSA-N 1 2 336.435 4.010 20 30 EIEDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1Br ZINC000611500778 1045319654 /nfs/dbraw/zinc/31/96/54/1045319654.db2.gz HDLHQFJZWSIMHS-UHFFFAOYSA-N 1 2 335.167 4.095 20 30 EIEDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1Br ZINC000611500778 1045319663 /nfs/dbraw/zinc/31/96/63/1045319663.db2.gz HDLHQFJZWSIMHS-UHFFFAOYSA-N 1 2 335.167 4.095 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000746490060 1045638174 /nfs/dbraw/zinc/63/81/74/1045638174.db2.gz VLZJGTXFRJGVLW-UHFFFAOYSA-N 1 2 347.871 4.258 20 30 EIEDLO C[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)[NH+]1CCCCCC1 ZINC000915979166 1045851649 /nfs/dbraw/zinc/85/16/49/1045851649.db2.gz DHAYLDZJFDTRKM-XHEYCZLTSA-N 1 2 329.271 4.382 20 30 EIEDLO Fc1cccc(N2CCCC2)c1C=[NH+]Nc1cccc2ncccc21 ZINC000915963536 1045855971 /nfs/dbraw/zinc/85/59/71/1045855971.db2.gz CMGKOOIWOZGZTP-UHFFFAOYSA-N 1 2 334.398 4.420 20 30 EIEDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H]([NH2+]CCC#N)CC(C)(C)O2 ZINC000496768708 1046064866 /nfs/dbraw/zinc/06/48/66/1046064866.db2.gz STVLOTGUXOTSJZ-HNNXBMFYSA-N 1 2 345.443 4.139 20 30 EIEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000769962117 1046110127 /nfs/dbraw/zinc/11/01/27/1046110127.db2.gz BHZHXMHAHYTNHN-NSHDSACASA-N 1 2 335.270 4.026 20 30 EIEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000769962117 1046110133 /nfs/dbraw/zinc/11/01/33/1046110133.db2.gz BHZHXMHAHYTNHN-NSHDSACASA-N 1 2 335.270 4.026 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000162270747 1046160594 /nfs/dbraw/zinc/16/05/94/1046160594.db2.gz HQYKTIBWDCPHCQ-UHFFFAOYSA-N 1 2 335.329 4.395 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3occc3Br)CC2)cc1 ZINC000770380032 1046188646 /nfs/dbraw/zinc/18/86/46/1046188646.db2.gz MNKQKWXOGCXGHQ-UHFFFAOYSA-N 1 2 343.224 4.203 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3occc3Br)CC2)cc1 ZINC000770380032 1046188653 /nfs/dbraw/zinc/18/86/53/1046188653.db2.gz MNKQKWXOGCXGHQ-UHFFFAOYSA-N 1 2 343.224 4.203 20 30 EIEDLO Cc1cc(OCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2[nH+]1 ZINC000192192884 1046213692 /nfs/dbraw/zinc/21/36/92/1046213692.db2.gz DOLQKDNMHXEWAW-UHFFFAOYSA-N 1 2 342.358 4.044 20 30 EIEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000459472947 1046719059 /nfs/dbraw/zinc/71/90/59/1046719059.db2.gz XFZMSUYMHZJUJJ-FTRWYGJKSA-N 1 2 349.434 4.088 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000536709318 1046719744 /nfs/dbraw/zinc/71/97/44/1046719744.db2.gz AVAZNHHKYIISCV-CYBMUJFWSA-N 1 2 341.436 4.447 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000536709318 1046719755 /nfs/dbraw/zinc/71/97/55/1046719755.db2.gz AVAZNHHKYIISCV-CYBMUJFWSA-N 1 2 341.436 4.447 20 30 EIEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000459472950 1046719982 /nfs/dbraw/zinc/71/99/82/1046719982.db2.gz XFZMSUYMHZJUJJ-YRNRMSPPSA-N 1 2 349.434 4.088 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000536732213 1046730318 /nfs/dbraw/zinc/73/03/18/1046730318.db2.gz YEZJKNGMXLHMHN-IAGOWNOFSA-N 1 2 337.442 4.137 20 30 EIEDLO FC(F)(F)c1ccc(CON=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000746577465 1046828582 /nfs/dbraw/zinc/82/85/82/1046828582.db2.gz RPLWWGPTSRTYCZ-UHFFFAOYSA-N 1 2 345.324 4.442 20 30 EIEDLO C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806136647 1047132336 /nfs/dbraw/zinc/13/23/36/1047132336.db2.gz AKZMWLZRTBMPFU-MRXNPFEDSA-N 1 2 343.298 4.390 20 30 EIEDLO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)c(F)cc1O ZINC000806177622 1047202120 /nfs/dbraw/zinc/20/21/20/1047202120.db2.gz DUAYWNBIRWLGOC-JTQLQIEISA-N 1 2 343.240 4.274 20 30 EIEDLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632146 1047405543 /nfs/dbraw/zinc/40/55/43/1047405543.db2.gz IEJBDXFFUWMLHQ-UHFFFAOYSA-N 1 2 346.475 4.070 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001143722611 1048175455 /nfs/dbraw/zinc/17/54/55/1048175455.db2.gz CXFTZLPFBRXGHT-MRXNPFEDSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001143722611 1048175460 /nfs/dbraw/zinc/17/54/60/1048175460.db2.gz CXFTZLPFBRXGHT-MRXNPFEDSA-N 1 2 330.790 4.004 20 30 EIEDLO CC(=[NH+]Nc1ccccc1OC(F)(F)F)c1cc(F)c(N)c(F)c1 ZINC000814907166 1048231533 /nfs/dbraw/zinc/23/15/33/1048231533.db2.gz WUDOWVFITJIZQN-UHFFFAOYSA-N 1 2 345.271 4.282 20 30 EIEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000815077974 1048319720 /nfs/dbraw/zinc/31/97/20/1048319720.db2.gz JZTFCAVODIPKDP-JOCHJYFZSA-N 1 2 349.478 4.213 20 30 EIEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000815077974 1048319742 /nfs/dbraw/zinc/31/97/42/1048319742.db2.gz JZTFCAVODIPKDP-JOCHJYFZSA-N 1 2 349.478 4.213 20 30 EIEDLO C#Cc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000809654396 1048456994 /nfs/dbraw/zinc/45/69/94/1048456994.db2.gz BSGNWBSCVFOULE-UHFFFAOYSA-N 1 2 327.431 4.480 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)cc1 ZINC000542619568 1048735286 /nfs/dbraw/zinc/73/52/86/1048735286.db2.gz HSUBKHIQMJIHDU-OAHLLOKOSA-N 1 2 349.409 4.140 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001144689669 1048808987 /nfs/dbraw/zinc/80/89/87/1048808987.db2.gz HYGHQHNNBAPMFZ-LYILDCAHSA-N 1 2 339.664 4.369 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001144689669 1048808993 /nfs/dbraw/zinc/80/89/93/1048808993.db2.gz HYGHQHNNBAPMFZ-LYILDCAHSA-N 1 2 339.664 4.369 20 30 EIEDLO Brc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000920941906 1048816252 /nfs/dbraw/zinc/81/62/52/1048816252.db2.gz YHHDWRYGIXUNGP-UHFFFAOYSA-N 1 2 348.244 4.478 20 30 EIEDLO C=C(Br)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000747676397 1048963196 /nfs/dbraw/zinc/96/31/96/1048963196.db2.gz VUCCEOHZGQUJAI-UHFFFAOYSA-N 1 2 335.220 4.305 20 30 EIEDLO C=C(Br)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000747676397 1048963216 /nfs/dbraw/zinc/96/32/16/1048963216.db2.gz VUCCEOHZGQUJAI-UHFFFAOYSA-N 1 2 335.220 4.305 20 30 EIEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001147171952 1049099191 /nfs/dbraw/zinc/09/91/91/1049099191.db2.gz BWBHVSQBPPAVBB-QFBILLFUSA-N 1 2 348.918 4.413 20 30 EIEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001147171952 1049099207 /nfs/dbraw/zinc/09/92/07/1049099207.db2.gz BWBHVSQBPPAVBB-QFBILLFUSA-N 1 2 348.918 4.413 20 30 EIEDLO O=C1c2c(cccc2Cl)O/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000811699589 1049241919 /nfs/dbraw/zinc/24/19/19/1049241919.db2.gz UFYMDAMIJNLLKZ-AUWJEWJLSA-N 1 2 328.780 4.203 20 30 EIEDLO COc1c(C)c[nH+]c(CSc2nc3c(cc2C#N)CCCC3)c1C ZINC000609852072 1049355569 /nfs/dbraw/zinc/35/55/69/1049355569.db2.gz SEBSVLSYZBVUDG-UHFFFAOYSA-N 1 2 339.464 4.145 20 30 EIEDLO N#CCc1ccc(NCC2c3ccccc3CCc3ccccc32)[nH+]c1 ZINC001171339008 1049384468 /nfs/dbraw/zinc/38/44/68/1049384468.db2.gz SYJCOOXCPOIOMA-UHFFFAOYSA-N 1 2 339.442 4.490 20 30 EIEDLO CC(C)(CCC#N)c1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001148901749 1049396277 /nfs/dbraw/zinc/39/62/77/1049396277.db2.gz ZVSCDZLTHFUSMN-UHFFFAOYSA-N 1 2 332.407 4.168 20 30 EIEDLO FC(F)(F)Oc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000812461351 1049481564 /nfs/dbraw/zinc/48/15/64/1049481564.db2.gz QMIAKMMELNRHFZ-UHFFFAOYSA-N 1 2 346.312 4.217 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccc(F)cc1 ZINC000812793511 1049589457 /nfs/dbraw/zinc/58/94/57/1049589457.db2.gz XGZDEBHUSBGVPX-INIZCTEOSA-N 1 2 348.215 4.061 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000812793396 1049590521 /nfs/dbraw/zinc/59/05/21/1049590521.db2.gz RXKZIKQWXIBZNN-MRXNPFEDSA-N 1 2 336.179 4.191 20 30 EIEDLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)ccc21 ZINC001171641277 1049779566 /nfs/dbraw/zinc/77/95/66/1049779566.db2.gz JDPGSEJSITYHDT-CABCVRRESA-N 1 2 348.450 4.033 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)CC3(C#N)CCCCC3)c2)[nH+]c1C ZINC000823353427 1049841401 /nfs/dbraw/zinc/84/14/01/1049841401.db2.gz NMHICIGBUDEHSE-UHFFFAOYSA-N 1 2 336.439 4.496 20 30 EIEDLO C=CC[C@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211771 1050371453 /nfs/dbraw/zinc/37/14/53/1050371453.db2.gz RAUGHHYJAKJDOX-UTKZUKDTSA-N 1 2 337.463 4.304 20 30 EIEDLO Fc1ccccc1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449639 1050388186 /nfs/dbraw/zinc/38/81/86/1050388186.db2.gz TYQDEOKLLIIVQR-PHIMTYICSA-N 1 2 329.259 4.388 20 30 EIEDLO Fc1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449639 1050388201 /nfs/dbraw/zinc/38/82/01/1050388201.db2.gz TYQDEOKLLIIVQR-PHIMTYICSA-N 1 2 329.259 4.388 20 30 EIEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173538616 1050473254 /nfs/dbraw/zinc/47/32/54/1050473254.db2.gz HTKOAQWFIRNBRJ-IAQYHMDHSA-N 1 2 330.255 4.022 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+]C3(C#N)CCCCC3)CC2)cc1 ZINC001173784335 1050568651 /nfs/dbraw/zinc/56/86/51/1050568651.db2.gz MYNKKLFVRJLIRI-UHFFFAOYSA-N 1 2 340.467 4.454 20 30 EIEDLO CCC(C#N)(CC)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173786704 1050571395 /nfs/dbraw/zinc/57/13/95/1050571395.db2.gz HVFRIYARGUVTSV-UHFFFAOYSA-N 1 2 328.456 4.310 20 30 EIEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc(Br)ccc1F ZINC001180067839 1050872045 /nfs/dbraw/zinc/87/20/45/1050872045.db2.gz FKYAXPNPNGLLCH-UHFFFAOYSA-N 1 2 332.216 4.072 20 30 EIEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc(Br)ccc1F ZINC001180067839 1050872051 /nfs/dbraw/zinc/87/20/51/1050872051.db2.gz FKYAXPNPNGLLCH-UHFFFAOYSA-N 1 2 332.216 4.072 20 30 EIEDLO CCCCCCC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181122932 1051160864 /nfs/dbraw/zinc/16/08/64/1051160864.db2.gz ZCXAJECYMNXUNB-IRXDYDNUSA-N 1 2 344.490 4.315 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC001181471409 1051234251 /nfs/dbraw/zinc/23/42/51/1051234251.db2.gz GCIWIOMDVOTUPZ-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC001181471409 1051234265 /nfs/dbraw/zinc/23/42/65/1051234265.db2.gz GCIWIOMDVOTUPZ-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO N#Cc1ccc(Br)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352751 1051543404 /nfs/dbraw/zinc/54/34/04/1051543404.db2.gz OSRUFJVTNWLFAF-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1ccc(-c2ccccc2Nc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC001175353264 1051546156 /nfs/dbraw/zinc/54/61/56/1051546156.db2.gz ZRZZRHLQHDPMOU-UHFFFAOYSA-N 1 2 341.418 4.359 20 30 EIEDLO N#Cc1cnccc1C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001192348074 1051698893 /nfs/dbraw/zinc/69/88/93/1051698893.db2.gz HRSAZDQEOJTXFV-QFIPXVFZSA-N 1 2 325.415 4.253 20 30 EIEDLO N#Cc1cnccc1C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001192348074 1051698903 /nfs/dbraw/zinc/69/89/03/1051698903.db2.gz HRSAZDQEOJTXFV-QFIPXVFZSA-N 1 2 325.415 4.253 20 30 EIEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(F)c1Cl ZINC001175716792 1051738354 /nfs/dbraw/zinc/73/83/54/1051738354.db2.gz ZAFSRNKHTWLURV-UHFFFAOYSA-N 1 2 330.672 4.090 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001192919786 1051833790 /nfs/dbraw/zinc/83/37/90/1051833790.db2.gz BXWHOADEARYFHD-SFHVURJKSA-N 1 2 346.519 4.052 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001192921929 1051839083 /nfs/dbraw/zinc/83/90/83/1051839083.db2.gz ZOCKOCIIXJMJHG-KRWDZBQOSA-N 1 2 347.503 4.383 20 30 EIEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001193921532 1052029683 /nfs/dbraw/zinc/02/96/83/1052029683.db2.gz YGDKNQJYCOLMMG-CQSZACIVSA-N 1 2 342.826 4.024 20 30 EIEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001193921532 1052029692 /nfs/dbraw/zinc/02/96/92/1052029692.db2.gz YGDKNQJYCOLMMG-CQSZACIVSA-N 1 2 342.826 4.024 20 30 EIEDLO N#CC1(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CCCCC1 ZINC000850391769 1053161581 /nfs/dbraw/zinc/16/15/81/1053161581.db2.gz YSMJRLGNZQKHLO-UHFFFAOYSA-N 1 2 337.254 4.205 20 30 EIEDLO CSc1ccccc1C[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794655225 1053253718 /nfs/dbraw/zinc/25/37/18/1053253718.db2.gz BGLDCGQLXQARKD-UHFFFAOYSA-N 1 2 348.475 4.233 20 30 EIEDLO CSc1ccccc1C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794655225 1053253733 /nfs/dbraw/zinc/25/37/33/1053253733.db2.gz BGLDCGQLXQARKD-UHFFFAOYSA-N 1 2 348.475 4.233 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794681234 1053261426 /nfs/dbraw/zinc/26/14/26/1053261426.db2.gz AXWHGLHHISAREI-YADHBBJMSA-N 1 2 346.405 4.262 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](CC)CCC)c1=S ZINC000764947174 1053393718 /nfs/dbraw/zinc/39/37/18/1053393718.db2.gz QKOBVLZGXXUQAU-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](CC)CCC)c1=S ZINC000764947174 1053393733 /nfs/dbraw/zinc/39/37/33/1053393733.db2.gz QKOBVLZGXXUQAU-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765025962 1053423349 /nfs/dbraw/zinc/42/33/49/1053423349.db2.gz AZUSMNQSIGVRII-GDBMZVCRSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765025962 1053423357 /nfs/dbraw/zinc/42/33/57/1053423357.db2.gz AZUSMNQSIGVRII-GDBMZVCRSA-N 1 2 342.512 4.263 20 30 EIEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852099618 1053549029 /nfs/dbraw/zinc/54/90/29/1053549029.db2.gz NPXVMEOGOCBDKY-ZBEGNZNMSA-N 1 2 337.345 4.208 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1O ZINC000866233445 1053658712 /nfs/dbraw/zinc/65/87/12/1053658712.db2.gz SMXFBBGJRNVYLZ-NWDGAFQWSA-N 1 2 332.350 4.277 20 30 EIEDLO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)c1OC ZINC000866358364 1053701306 /nfs/dbraw/zinc/70/13/06/1053701306.db2.gz XSGFHJZWCCXRBE-UONOGXRCSA-N 1 2 340.423 4.001 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876779128 1054958719 /nfs/dbraw/zinc/95/87/19/1054958719.db2.gz WPZFVHXZWRCCHT-CQSZACIVSA-N 1 2 346.887 4.135 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876779128 1054958729 /nfs/dbraw/zinc/95/87/29/1054958729.db2.gz WPZFVHXZWRCCHT-CQSZACIVSA-N 1 2 346.887 4.135 20 30 EIEDLO C=CCCC1(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1 ZINC001202397743 1055170079 /nfs/dbraw/zinc/17/00/79/1055170079.db2.gz WPBSMTCOQTVTJE-UHFFFAOYSA-N 1 2 330.476 4.104 20 30 EIEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1CCC(C#N)CC1 ZINC000878016754 1055175448 /nfs/dbraw/zinc/17/54/48/1055175448.db2.gz UOOXGTAGYRDQLA-CQSZACIVSA-N 1 2 332.407 4.186 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(C#N)c3)n2)cc1 ZINC000273295638 1055636096 /nfs/dbraw/zinc/63/60/96/1055636096.db2.gz JMICLOZXDBQYJO-CQSZACIVSA-N 1 2 332.407 4.021 20 30 EIEDLO N#Cc1ccnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000301661983 1055965438 /nfs/dbraw/zinc/96/54/38/1055965438.db2.gz UUGAJOTZBKTZTB-UHFFFAOYSA-N 1 2 337.383 4.207 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@](C)(CCC)C2)c1=S ZINC000743404137 1058980747 /nfs/dbraw/zinc/98/07/47/1058980747.db2.gz KKGXPTNNDHXNLR-SFHVURJKSA-N 1 2 334.533 4.337 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@](C)(CCC)C2)c1=S ZINC000743404137 1058980768 /nfs/dbraw/zinc/98/07/68/1058980768.db2.gz KKGXPTNNDHXNLR-SFHVURJKSA-N 1 2 334.533 4.337 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000744142070 1059293983 /nfs/dbraw/zinc/29/39/83/1059293983.db2.gz YLFGKAPLPWRCJJ-UHFFFAOYSA-N 1 2 333.435 4.204 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000744142070 1059294010 /nfs/dbraw/zinc/29/40/10/1059294010.db2.gz YLFGKAPLPWRCJJ-UHFFFAOYSA-N 1 2 333.435 4.204 20 30 EIEDLO N#CCOc1ccc(Cl)cc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000746051841 1059988561 /nfs/dbraw/zinc/98/85/61/1059988561.db2.gz SFJIAWMRDRGSBJ-UHFFFAOYSA-N 1 2 339.782 4.007 20 30 EIEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3ccccc3)c[nH+]c12 ZINC000783697473 1032381564 /nfs/dbraw/zinc/38/15/64/1032381564.db2.gz QXUPGNZFONLPNH-BQYQJAHWSA-N 1 2 341.208 4.301 20 30 EIEDLO CC(C)(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000459385607 1032455225 /nfs/dbraw/zinc/45/52/25/1032455225.db2.gz JURAEWCKDJLFRV-GOSISDBHSA-N 1 2 341.386 4.483 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000533065536 1032468702 /nfs/dbraw/zinc/46/87/02/1032468702.db2.gz ZNPSRXKKVAFMHE-NRFANRHFSA-N 1 2 347.437 4.291 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000533065536 1032468707 /nfs/dbraw/zinc/46/87/07/1032468707.db2.gz ZNPSRXKKVAFMHE-NRFANRHFSA-N 1 2 347.437 4.291 20 30 EIEDLO O=C1c2ccc(Cl)cc2C/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783710327 1032553355 /nfs/dbraw/zinc/55/33/55/1032553355.db2.gz FQRIGFZOWANVLJ-GHXNOFRVSA-N 1 2 326.808 4.410 20 30 EIEDLO Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](c4ccccc4)[C@H](C#N)C3)s2)o1 ZINC000430153096 1018883345 /nfs/dbraw/zinc/88/33/45/1018883345.db2.gz XRLABQWSQBPVTB-AEFFLSMTSA-N 1 2 349.459 4.451 20 30 EIEDLO Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C#N)C3)s2)o1 ZINC000430153096 1018883346 /nfs/dbraw/zinc/88/33/46/1018883346.db2.gz XRLABQWSQBPVTB-AEFFLSMTSA-N 1 2 349.459 4.451 20 30 EIEDLO CC(C)c1nc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000274790041 1019543292 /nfs/dbraw/zinc/54/32/92/1019543292.db2.gz NSPXWLAQNAMYCD-UHFFFAOYSA-N 1 2 344.846 4.098 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)nc1 ZINC000579849506 1019600794 /nfs/dbraw/zinc/60/07/94/1019600794.db2.gz ZLZPJNOCOONMQJ-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)nc1 ZINC000579849506 1019600805 /nfs/dbraw/zinc/60/08/05/1019600805.db2.gz ZLZPJNOCOONMQJ-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C[N@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1C#N ZINC000229958046 1019830247 /nfs/dbraw/zinc/83/02/47/1019830247.db2.gz IQALRXTWOFDNPL-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1C#N ZINC000229958046 1019830251 /nfs/dbraw/zinc/83/02/51/1019830251.db2.gz IQALRXTWOFDNPL-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001167273495 1020750413 /nfs/dbraw/zinc/75/04/13/1020750413.db2.gz IUMKLFJHCOVKSA-UHFFFAOYSA-N 1 2 332.350 4.104 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001167273495 1020750424 /nfs/dbraw/zinc/75/04/24/1020750424.db2.gz IUMKLFJHCOVKSA-UHFFFAOYSA-N 1 2 332.350 4.104 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccco2)s1 ZINC000348645554 1021792016 /nfs/dbraw/zinc/79/20/16/1021792016.db2.gz OGRKQHZTHJPMDD-UHFFFAOYSA-N 1 2 344.436 4.067 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccco2)s1 ZINC000348645554 1021792038 /nfs/dbraw/zinc/79/20/38/1021792038.db2.gz OGRKQHZTHJPMDD-UHFFFAOYSA-N 1 2 344.436 4.067 20 30 EIEDLO CC(C)(C)c1csc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000371487391 1022482756 /nfs/dbraw/zinc/48/27/56/1022482756.db2.gz DBQIPTVJUMGGLV-AWEZNQCLSA-N 1 2 330.501 4.064 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c[nH+]c12 ZINC000255308642 1023280093 /nfs/dbraw/zinc/28/00/93/1023280093.db2.gz FBNDYUPQGRISGF-ALCCZGGFSA-N 1 2 341.754 4.100 20 30 EIEDLO Cc1noc(C)c1C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376842629 1023322753 /nfs/dbraw/zinc/32/27/53/1023322753.db2.gz MRNAXPKEWMPRLA-GFCCVEGCSA-N 1 2 338.436 4.137 20 30 EIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000581682765 1023594355 /nfs/dbraw/zinc/59/43/55/1023594355.db2.gz KLLPINYCFGVWMM-LLVKDONJSA-N 1 2 346.780 4.360 20 30 EIEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651649399 1024086845 /nfs/dbraw/zinc/08/68/45/1024086845.db2.gz DMSHQHRRQZLOMU-PHIMTYICSA-N 1 2 345.258 4.007 20 30 EIEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651649399 1024086854 /nfs/dbraw/zinc/08/68/54/1024086854.db2.gz DMSHQHRRQZLOMU-PHIMTYICSA-N 1 2 345.258 4.007 20 30 EIEDLO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+](CCC#N)CC1CC1 ZINC000891937745 1024823096 /nfs/dbraw/zinc/82/30/96/1024823096.db2.gz QTQWKDWSCAKBJO-UHFFFAOYSA-N 1 2 335.473 4.221 20 30 EIEDLO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+](CCC#N)CC1CC1 ZINC000891937745 1024823097 /nfs/dbraw/zinc/82/30/97/1024823097.db2.gz QTQWKDWSCAKBJO-UHFFFAOYSA-N 1 2 335.473 4.221 20 30 EIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000278863292 1025051074 /nfs/dbraw/zinc/05/10/74/1025051074.db2.gz WMWWJHFABXZNMZ-PIGZYNQJSA-N 1 2 335.350 4.312 20 30 EIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000519446474 1025829529 /nfs/dbraw/zinc/82/95/29/1025829529.db2.gz MCOFBHXKFRFYHJ-HXUWFJFHSA-N 1 2 336.435 4.027 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1OC(F)(F)F ZINC000551557355 1026217638 /nfs/dbraw/zinc/21/76/38/1026217638.db2.gz FFPXGRPQKVKQHM-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1OC(F)(F)F ZINC000551557355 1026217645 /nfs/dbraw/zinc/21/76/45/1026217645.db2.gz FFPXGRPQKVKQHM-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccc(F)c(F)c1 ZINC000893668514 1026307926 /nfs/dbraw/zinc/30/79/26/1026307926.db2.gz LVZOXQTWHLWOLC-INIZCTEOSA-N 1 2 325.790 4.067 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1Cl ZINC000512203864 1026458498 /nfs/dbraw/zinc/45/84/98/1026458498.db2.gz RBNYPTJMBHSLFH-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1Cl ZINC000512203864 1026458500 /nfs/dbraw/zinc/45/85/00/1026458500.db2.gz RBNYPTJMBHSLFH-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO CC(C)([NH2+]Cc1cc(C#N)cs1)c1nc(C(F)(F)F)cs1 ZINC000344746234 1026573677 /nfs/dbraw/zinc/57/36/77/1026573677.db2.gz YEQCZRYPSUFOHC-UHFFFAOYSA-N 1 2 331.388 4.120 20 30 EIEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000507425043 1026789329 /nfs/dbraw/zinc/78/93/29/1026789329.db2.gz OWDKFHVBBMXRQH-UHFFFAOYSA-N 1 2 330.378 4.200 20 30 EIEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000507425043 1026789338 /nfs/dbraw/zinc/78/93/38/1026789338.db2.gz OWDKFHVBBMXRQH-UHFFFAOYSA-N 1 2 330.378 4.200 20 30 EIEDLO N#CCC1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000519744061 1026974200 /nfs/dbraw/zinc/97/42/00/1026974200.db2.gz GMCOZNWEDNGSEU-UHFFFAOYSA-N 1 2 348.219 4.266 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000440903434 1027108581 /nfs/dbraw/zinc/10/85/81/1027108581.db2.gz SNTAMVDHJWRDAO-INIZCTEOSA-N 1 2 326.440 4.292 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000440903434 1027108589 /nfs/dbraw/zinc/10/85/89/1027108589.db2.gz SNTAMVDHJWRDAO-INIZCTEOSA-N 1 2 326.440 4.292 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000441342863 1027479581 /nfs/dbraw/zinc/47/95/81/1027479581.db2.gz FFBUDNTYMOGJPB-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO Cc1nc(C)c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)o1 ZINC000329090791 1027586492 /nfs/dbraw/zinc/58/64/92/1027586492.db2.gz JEJGWYKDOVBJNO-UHFFFAOYSA-N 1 2 336.395 4.128 20 30 EIEDLO Cc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000329357464 1027746410 /nfs/dbraw/zinc/74/64/10/1027746410.db2.gz ZVQULTZRTWFVLJ-UHFFFAOYSA-N 1 2 342.487 4.168 20 30 EIEDLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329506606 1027823225 /nfs/dbraw/zinc/82/32/25/1027823225.db2.gz IVZZQYSCRNGICX-WBAXXEDZSA-N 1 2 340.471 4.058 20 30 EIEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCc2occc2C1 ZINC000329663385 1027954761 /nfs/dbraw/zinc/95/47/61/1027954761.db2.gz PWARSWPOXQSIGB-GFCCVEGCSA-N 1 2 341.436 4.314 20 30 EIEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCc2occc2C1 ZINC000329663385 1027954771 /nfs/dbraw/zinc/95/47/71/1027954771.db2.gz PWARSWPOXQSIGB-GFCCVEGCSA-N 1 2 341.436 4.314 20 30 EIEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000444689917 1027973298 /nfs/dbraw/zinc/97/32/98/1027973298.db2.gz IDGMWWHJVMGLPF-UHFFFAOYSA-N 1 2 338.304 4.070 20 30 EIEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000444689917 1027973305 /nfs/dbraw/zinc/97/33/05/1027973305.db2.gz IDGMWWHJVMGLPF-UHFFFAOYSA-N 1 2 338.304 4.070 20 30 EIEDLO N#Cc1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444007872 1028731348 /nfs/dbraw/zinc/73/13/48/1028731348.db2.gz CQCZLTVLPLXJKK-UHFFFAOYSA-N 1 2 328.419 4.370 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346970244 1028834791 /nfs/dbraw/zinc/83/47/91/1028834791.db2.gz GFJZGZPAEJNNLK-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346970244 1028834796 /nfs/dbraw/zinc/83/47/96/1028834796.db2.gz GFJZGZPAEJNNLK-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000583997251 1029477969 /nfs/dbraw/zinc/47/79/69/1029477969.db2.gz ADVSSCJQTXSMSQ-INIZCTEOSA-N 1 2 327.409 4.111 20 30 EIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000583997251 1029477977 /nfs/dbraw/zinc/47/79/77/1029477977.db2.gz ADVSSCJQTXSMSQ-INIZCTEOSA-N 1 2 327.409 4.111 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000609822858 1029624127 /nfs/dbraw/zinc/62/41/27/1029624127.db2.gz MNIJCCSUEIQXTB-CYBMUJFWSA-N 1 2 341.252 4.440 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(Br)cccc2C1 ZINC000609822858 1029624130 /nfs/dbraw/zinc/62/41/30/1029624130.db2.gz MNIJCCSUEIQXTB-CYBMUJFWSA-N 1 2 341.252 4.440 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161447 1031072761 /nfs/dbraw/zinc/07/27/61/1031072761.db2.gz BQMFRSOBBNCXGM-IRXDYDNUSA-N 1 2 333.273 4.452 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161447 1031072771 /nfs/dbraw/zinc/07/27/71/1031072771.db2.gz BQMFRSOBBNCXGM-IRXDYDNUSA-N 1 2 333.273 4.452 20 30 EIEDLO CCCCCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OC ZINC000612406746 1031492102 /nfs/dbraw/zinc/49/21/02/1031492102.db2.gz SIIJVFBHIYBPLL-HXUWFJFHSA-N 1 2 330.472 4.390 20 30 EIEDLO CCCCCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OC ZINC000612406746 1031492113 /nfs/dbraw/zinc/49/21/13/1031492113.db2.gz SIIJVFBHIYBPLL-HXUWFJFHSA-N 1 2 330.472 4.390 20 30 EIEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(F)c1 ZINC000118947892 1031655534 /nfs/dbraw/zinc/65/55/34/1031655534.db2.gz FWFFSGKVWZCUNT-UHFFFAOYSA-N 1 2 349.409 4.009 20 30 EIEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(F)c1 ZINC000118947892 1031655542 /nfs/dbraw/zinc/65/55/42/1031655542.db2.gz FWFFSGKVWZCUNT-UHFFFAOYSA-N 1 2 349.409 4.009 20 30 EIEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000612585644 1031679316 /nfs/dbraw/zinc/67/93/16/1031679316.db2.gz NKRXZPRBXLILTN-UHFFFAOYSA-N 1 2 333.229 4.348 20 30 EIEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000612585039 1031680873 /nfs/dbraw/zinc/68/08/73/1031680873.db2.gz MTKCDTGUNANGHG-UHFFFAOYSA-N 1 2 333.775 4.148 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475905910 1031800619 /nfs/dbraw/zinc/80/06/19/1031800619.db2.gz NIBKFDLHGUMFJO-KRWDZBQOSA-N 1 2 343.515 4.233 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475905910 1031800622 /nfs/dbraw/zinc/80/06/22/1031800622.db2.gz NIBKFDLHGUMFJO-KRWDZBQOSA-N 1 2 343.515 4.233 20 30 EIEDLO N#Cc1csc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)n1 ZINC000449505127 1031814761 /nfs/dbraw/zinc/81/47/61/1031814761.db2.gz QXPIXSXBCPANAN-UHFFFAOYSA-N 1 2 349.862 4.215 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610800 1033493172 /nfs/dbraw/zinc/49/31/72/1033493172.db2.gz FBHRKMQAFCZLDG-UONOGXRCSA-N 1 2 336.414 4.479 20 30 EIEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C2CC2)no1 ZINC000614182798 1033624223 /nfs/dbraw/zinc/62/42/23/1033624223.db2.gz IKRKDTCAVVFWMG-QGZVFWFLSA-N 1 2 338.455 4.235 20 30 EIEDLO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673191 1033680157 /nfs/dbraw/zinc/68/01/57/1033680157.db2.gz PGLQWQDYZSGXQR-RDTXWAMCSA-N 1 2 329.419 4.024 20 30 EIEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000595423635 1035675575 /nfs/dbraw/zinc/67/55/75/1035675575.db2.gz FIBJHZGPZRQUGQ-IBGZPJMESA-N 1 2 342.874 4.294 20 30 EIEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514950 1035691181 /nfs/dbraw/zinc/69/11/81/1035691181.db2.gz LJFJRWUSKWSPSP-CYBMUJFWSA-N 1 2 338.842 4.475 20 30 EIEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514950 1035691194 /nfs/dbraw/zinc/69/11/94/1035691194.db2.gz LJFJRWUSKWSPSP-CYBMUJFWSA-N 1 2 338.842 4.475 20 30 EIEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514970 1035693390 /nfs/dbraw/zinc/69/33/90/1035693390.db2.gz LJFJRWUSKWSPSP-ZDUSSCGKSA-N 1 2 338.842 4.475 20 30 EIEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000595514970 1035693400 /nfs/dbraw/zinc/69/34/00/1035693400.db2.gz LJFJRWUSKWSPSP-ZDUSSCGKSA-N 1 2 338.842 4.475 20 30 EIEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000575132906 1035715169 /nfs/dbraw/zinc/71/51/69/1035715169.db2.gz VLQJCAKKBVZVTN-IYARVYRRSA-N 1 2 341.499 4.448 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)c1ccccn1 ZINC000183359628 1035738919 /nfs/dbraw/zinc/73/89/19/1035738919.db2.gz OVDMCEXHKMZSJV-VBKZILBWSA-N 1 2 349.459 4.464 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000595613452 1035750202 /nfs/dbraw/zinc/75/02/02/1035750202.db2.gz DEMGBIXPRHVJRN-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000595613452 1035750222 /nfs/dbraw/zinc/75/02/22/1035750222.db2.gz DEMGBIXPRHVJRN-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613609 1035751828 /nfs/dbraw/zinc/75/18/28/1035751828.db2.gz FROUILHRDDKONE-UKRRQHHQSA-N 1 2 344.846 4.000 20 30 EIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613609 1035751858 /nfs/dbraw/zinc/75/18/58/1035751858.db2.gz FROUILHRDDKONE-UKRRQHHQSA-N 1 2 344.846 4.000 20 30 EIEDLO N#CC[C@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000596329972 1035854130 /nfs/dbraw/zinc/85/41/30/1035854130.db2.gz IZNWNVDMKGJSPP-GFCCVEGCSA-N 1 2 330.229 4.127 20 30 EIEDLO C[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000571573346 1036079692 /nfs/dbraw/zinc/07/96/92/1036079692.db2.gz RBLFKSUKKMDJQK-QMMMGPOBSA-N 1 2 329.259 4.461 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000571573346 1036079717 /nfs/dbraw/zinc/07/97/17/1036079717.db2.gz RBLFKSUKKMDJQK-QMMMGPOBSA-N 1 2 329.259 4.461 20 30 EIEDLO O=C1c2ccccc2C(Nc2nc3[nH]ccc3c[nH+]2)=C1c1ccccc1 ZINC001168411374 1036244745 /nfs/dbraw/zinc/24/47/45/1036244745.db2.gz USJSDIQCURCIFF-UHFFFAOYSA-N 1 2 338.370 4.086 20 30 EIEDLO CCC(CC)n1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000502533704 1036308814 /nfs/dbraw/zinc/30/88/14/1036308814.db2.gz FLVMNHNHTDWKGK-UHFFFAOYSA-N 1 2 334.467 4.405 20 30 EIEDLO CCC(CC)n1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000502533704 1036308833 /nfs/dbraw/zinc/30/88/33/1036308833.db2.gz FLVMNHNHTDWKGK-UHFFFAOYSA-N 1 2 334.467 4.405 20 30 EIEDLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)ccc1C#N ZINC000588211858 1036315895 /nfs/dbraw/zinc/31/58/95/1036315895.db2.gz STYSKRHFABPEGI-GOSISDBHSA-N 1 2 336.439 4.244 20 30 EIEDLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)ccc1C#N ZINC000588211858 1036315919 /nfs/dbraw/zinc/31/59/19/1036315919.db2.gz STYSKRHFABPEGI-GOSISDBHSA-N 1 2 336.439 4.244 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000016395416 1036371031 /nfs/dbraw/zinc/37/10/31/1036371031.db2.gz BOCKYSKJJMCDPD-QGZVFWFLSA-N 1 2 342.508 4.230 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000016395416 1036371049 /nfs/dbraw/zinc/37/10/49/1036371049.db2.gz BOCKYSKJJMCDPD-QGZVFWFLSA-N 1 2 342.508 4.230 20 30 EIEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602840852 1036650516 /nfs/dbraw/zinc/65/05/16/1036650516.db2.gz ORKBUOULGIYOPN-BBRMVZONSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CC1(CC#N)CC1 ZINC000602840852 1036650525 /nfs/dbraw/zinc/65/05/25/1036650525.db2.gz ORKBUOULGIYOPN-BBRMVZONSA-N 1 2 338.373 4.161 20 30 EIEDLO CC[C@](C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602925016 1036668421 /nfs/dbraw/zinc/66/84/21/1036668421.db2.gz UDSWJIBXCVBVBW-SFHVURJKSA-N 1 2 327.359 4.021 20 30 EIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000908154999 1036798855 /nfs/dbraw/zinc/79/88/55/1036798855.db2.gz GPARINUAERLQCQ-UHFFFAOYSA-N 1 2 340.471 4.003 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599274460 1036931194 /nfs/dbraw/zinc/93/11/94/1036931194.db2.gz UIDZMOAQQQFIFJ-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599274460 1036931217 /nfs/dbraw/zinc/93/12/17/1036931217.db2.gz UIDZMOAQQQFIFJ-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272588527 1037240148 /nfs/dbraw/zinc/24/01/48/1037240148.db2.gz PGEIVYZIWYKKFN-UHFFFAOYSA-N 1 2 341.499 4.498 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000489472180 1038064536 /nfs/dbraw/zinc/06/45/36/1038064536.db2.gz FTSHMMOGZWXKAO-AWEZNQCLSA-N 1 2 329.469 4.217 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000489472180 1038064558 /nfs/dbraw/zinc/06/45/58/1038064558.db2.gz FTSHMMOGZWXKAO-AWEZNQCLSA-N 1 2 329.469 4.217 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccc(C#N)c1 ZINC000063300341 1038203366 /nfs/dbraw/zinc/20/33/66/1038203366.db2.gz FLUUECALLZHIJD-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccc(C#N)c1 ZINC000063300341 1038203390 /nfs/dbraw/zinc/20/33/90/1038203390.db2.gz FLUUECALLZHIJD-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000489680882 1038206161 /nfs/dbraw/zinc/20/61/61/1038206161.db2.gz SRQZAFDDKGPEMC-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000489680882 1038206181 /nfs/dbraw/zinc/20/61/81/1038206181.db2.gz SRQZAFDDKGPEMC-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)c1 ZINC000046528067 1038289317 /nfs/dbraw/zinc/28/93/17/1038289317.db2.gz BBLBNJNLAREZSN-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)c1 ZINC000046528067 1038289333 /nfs/dbraw/zinc/28/93/33/1038289333.db2.gz BBLBNJNLAREZSN-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO CCCCCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OC ZINC000612406745 1038817498 /nfs/dbraw/zinc/81/74/98/1038817498.db2.gz SIIJVFBHIYBPLL-FQEVSTJZSA-N 1 2 330.472 4.390 20 30 EIEDLO CCCCCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OC ZINC000612406745 1038817502 /nfs/dbraw/zinc/81/75/02/1038817502.db2.gz SIIJVFBHIYBPLL-FQEVSTJZSA-N 1 2 330.472 4.390 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537622463 1038984359 /nfs/dbraw/zinc/98/43/59/1038984359.db2.gz XUNKCVVWUJZHAW-YJDIIKPMSA-N 1 2 347.418 4.380 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537622463 1038984370 /nfs/dbraw/zinc/98/43/70/1038984370.db2.gz XUNKCVVWUJZHAW-YJDIIKPMSA-N 1 2 347.418 4.380 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2csc(C(F)(F)F)c2)s1 ZINC000899392422 1039093838 /nfs/dbraw/zinc/09/38/38/1039093838.db2.gz SPBGEEBWTVWXTQ-ONEGZZNKSA-N 1 2 346.399 4.181 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000600116409 1039273991 /nfs/dbraw/zinc/27/39/91/1039273991.db2.gz CYFPPXIGTHRVJP-UHFFFAOYSA-N 1 2 334.847 4.039 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000600116409 1039274026 /nfs/dbraw/zinc/27/40/26/1039274026.db2.gz CYFPPXIGTHRVJP-UHFFFAOYSA-N 1 2 334.847 4.039 20 30 EIEDLO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(SC)cc1OC ZINC000093101101 1039629005 /nfs/dbraw/zinc/62/90/05/1039629005.db2.gz DTOVTYGYZPCCFJ-UHFFFAOYSA-N 1 2 336.501 4.187 20 30 EIEDLO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)c(SC)cc1OC ZINC000093101101 1039628983 /nfs/dbraw/zinc/62/89/83/1039628983.db2.gz DTOVTYGYZPCCFJ-UHFFFAOYSA-N 1 2 336.501 4.187 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000537660463 1039873009 /nfs/dbraw/zinc/87/30/09/1039873009.db2.gz GRKGMPAJQXMKLK-ZDUSSCGKSA-N 1 2 336.863 4.261 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000537660463 1039873011 /nfs/dbraw/zinc/87/30/11/1039873011.db2.gz GRKGMPAJQXMKLK-ZDUSSCGKSA-N 1 2 336.863 4.261 20 30 EIEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(N2CCCC2)[nH+]c1 ZINC000481996191 1039956895 /nfs/dbraw/zinc/95/68/95/1039956895.db2.gz BHZLAXQCAJYRJK-FQEVSTJZSA-N 1 2 332.451 4.433 20 30 EIEDLO C=C(C)COc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1OC ZINC000505641659 1040221126 /nfs/dbraw/zinc/22/11/26/1040221126.db2.gz VBPFVMZLDUHDIS-MRXNPFEDSA-N 1 2 326.440 4.028 20 30 EIEDLO C=C(C)COc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1OC ZINC000505641659 1040221143 /nfs/dbraw/zinc/22/11/43/1040221143.db2.gz VBPFVMZLDUHDIS-MRXNPFEDSA-N 1 2 326.440 4.028 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3c(F)cccc3Br)CC2)c1 ZINC000551407012 1040266948 /nfs/dbraw/zinc/26/69/48/1040266948.db2.gz WKDZVRXSXLJPAU-UHFFFAOYSA-N 1 2 345.215 4.239 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000425363823 1040326261 /nfs/dbraw/zinc/32/62/61/1040326261.db2.gz CZEASRPNJXYJCR-JTQLQIEISA-N 1 2 325.359 4.227 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000425363823 1040326280 /nfs/dbraw/zinc/32/62/80/1040326280.db2.gz CZEASRPNJXYJCR-JTQLQIEISA-N 1 2 325.359 4.227 20 30 EIEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000539827913 1040824572 /nfs/dbraw/zinc/82/45/72/1040824572.db2.gz POVBFNYOWKXPFN-UHFFFAOYSA-N 1 2 347.871 4.124 20 30 EIEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000539827913 1040824581 /nfs/dbraw/zinc/82/45/81/1040824581.db2.gz POVBFNYOWKXPFN-UHFFFAOYSA-N 1 2 347.871 4.124 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000539924020 1040907853 /nfs/dbraw/zinc/90/78/53/1040907853.db2.gz PXNJGYPKERLWFB-UHFFFAOYSA-N 1 2 340.430 4.238 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000539924020 1040907873 /nfs/dbraw/zinc/90/78/73/1040907873.db2.gz PXNJGYPKERLWFB-UHFFFAOYSA-N 1 2 340.430 4.238 20 30 EIEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437410248 1041791940 /nfs/dbraw/zinc/79/19/40/1041791940.db2.gz SZCZKFFLLXJYIJ-LLVKDONJSA-N 1 2 334.391 4.340 20 30 EIEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437410248 1041791946 /nfs/dbraw/zinc/79/19/46/1041791946.db2.gz SZCZKFFLLXJYIJ-LLVKDONJSA-N 1 2 334.391 4.340 20 30 EIEDLO CC(C)Oc1ccc(C#N)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438322747 1042138092 /nfs/dbraw/zinc/13/80/92/1042138092.db2.gz OIYXDXLKBRIPDC-UHFFFAOYSA-N 1 2 346.434 4.202 20 30 EIEDLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000271716711 1042237923 /nfs/dbraw/zinc/23/79/23/1042237923.db2.gz WUJVGDOBEJAMRS-CQSZACIVSA-N 1 2 332.407 4.021 20 30 EIEDLO C=CCOc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000506298832 1042287086 /nfs/dbraw/zinc/28/70/86/1042287086.db2.gz RIPRGANEPIDTPR-UHFFFAOYSA-N 1 2 348.446 4.300 20 30 EIEDLO C=CCOc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000506298832 1042287100 /nfs/dbraw/zinc/28/71/00/1042287100.db2.gz RIPRGANEPIDTPR-UHFFFAOYSA-N 1 2 348.446 4.300 20 30 EIEDLO CCCn1c2ccc(C#N)cc2nc1-c1cc(-n2cc[nH+]c2)cs1 ZINC000542197974 1042330858 /nfs/dbraw/zinc/33/08/58/1042330858.db2.gz CDUWKGMJJWUQPS-UHFFFAOYSA-N 1 2 333.420 4.232 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccco1 ZINC000443986460 1042726982 /nfs/dbraw/zinc/72/69/82/1042726982.db2.gz IXXMJGLGQMQURZ-OAQYLSRUSA-N 1 2 332.403 4.348 20 30 EIEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000347879623 1043317581 /nfs/dbraw/zinc/31/75/81/1043317581.db2.gz TXNCEMQZLIZBRB-UHFFFAOYSA-N 1 2 331.419 4.091 20 30 EIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1cccs1 ZINC000187341463 1043343627 /nfs/dbraw/zinc/34/36/27/1043343627.db2.gz SUGIQFMKGKQSGZ-UHFFFAOYSA-N 1 2 342.493 4.497 20 30 EIEDLO C=CC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000188797286 1043367717 /nfs/dbraw/zinc/36/77/17/1043367717.db2.gz CBQUYUHFGVUZLZ-GOSISDBHSA-N 1 2 338.451 4.025 20 30 EIEDLO CC(C)([NH2+]CC#Cc1ccc(Cl)cc1)c1cc(C(F)(F)F)on1 ZINC000429233009 1043774857 /nfs/dbraw/zinc/77/48/57/1043774857.db2.gz CQHMHVZUKWRWPU-UHFFFAOYSA-N 1 2 342.748 4.223 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccsc2)n1 ZINC000731661326 1043810496 /nfs/dbraw/zinc/81/04/96/1043810496.db2.gz IKIPTZCKWCPBQX-UHFFFAOYSA-N 1 2 334.448 4.129 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccsc2)n1 ZINC000731661326 1043810502 /nfs/dbraw/zinc/81/05/02/1043810502.db2.gz IKIPTZCKWCPBQX-UHFFFAOYSA-N 1 2 334.448 4.129 20 30 EIEDLO FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](CC#Cc2ccccc2)C1 ZINC000683004999 1043883494 /nfs/dbraw/zinc/88/34/94/1043883494.db2.gz VAWOFMUHPYUOMP-ZIAGYGMSSA-N 1 2 335.291 4.101 20 30 EIEDLO CC[N@H+](Cc1csc([C@@H](C)OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000245470209 1043916136 /nfs/dbraw/zinc/91/61/36/1043916136.db2.gz MOSPUSKQODTWGX-ZIAGYGMSSA-N 1 2 329.469 4.305 20 30 EIEDLO CC[N@@H+](Cc1csc([C@@H](C)OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000245470209 1043916156 /nfs/dbraw/zinc/91/61/56/1043916156.db2.gz MOSPUSKQODTWGX-ZIAGYGMSSA-N 1 2 329.469 4.305 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174332795 1044262104 /nfs/dbraw/zinc/26/21/04/1044262104.db2.gz CYVVGAXVLPSQKU-STQMWFEESA-N 1 2 336.370 4.159 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761757192 1044442702 /nfs/dbraw/zinc/44/27/02/1044442702.db2.gz IWYNCGNKTHSIEK-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761757192 1044442714 /nfs/dbraw/zinc/44/27/14/1044442714.db2.gz IWYNCGNKTHSIEK-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000676714518 1044827389 /nfs/dbraw/zinc/82/73/89/1044827389.db2.gz LNLCOEILIMVDGL-FQEVSTJZSA-N 1 2 325.839 4.155 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000676714518 1044827394 /nfs/dbraw/zinc/82/73/94/1044827394.db2.gz LNLCOEILIMVDGL-FQEVSTJZSA-N 1 2 325.839 4.155 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1oc(C(C)C)nc1C ZINC000428987249 1044961973 /nfs/dbraw/zinc/96/19/73/1044961973.db2.gz UHJWLZXNJDNTCD-UHFFFAOYSA-N 1 2 330.476 4.462 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1oc(C(C)C)nc1C ZINC000428987249 1044961986 /nfs/dbraw/zinc/96/19/86/1044961986.db2.gz UHJWLZXNJDNTCD-UHFFFAOYSA-N 1 2 330.476 4.462 20 30 EIEDLO COc1cccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000192955114 1045215868 /nfs/dbraw/zinc/21/58/68/1045215868.db2.gz FCMRYZBPHYXBFC-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO COc1cccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000192955114 1045215888 /nfs/dbraw/zinc/21/58/88/1045215888.db2.gz FCMRYZBPHYXBFC-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(N2CCCCC2)cc1 ZINC000740764317 1045218649 /nfs/dbraw/zinc/21/86/49/1045218649.db2.gz RGEFGQIKCOIZTD-QXMHVHEDSA-N 1 2 331.419 4.221 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(OC(F)(F)F)c1 ZINC000740765735 1045219806 /nfs/dbraw/zinc/21/98/06/1045219806.db2.gz PVJIAYFVSVZCEO-BQYQJAHWSA-N 1 2 332.281 4.129 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861696 1045231496 /nfs/dbraw/zinc/23/14/96/1045231496.db2.gz XYQHMFIWWSUFMS-KGLIPLIRSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861696 1045231501 /nfs/dbraw/zinc/23/15/01/1045231501.db2.gz XYQHMFIWWSUFMS-KGLIPLIRSA-N 1 2 346.475 4.094 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncc(Br)s1 ZINC000611132147 1045254667 /nfs/dbraw/zinc/25/46/67/1045254667.db2.gz OLLHJXQIVAFBNP-VHSXEESVSA-N 1 2 336.258 4.189 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)o1 ZINC000611275774 1045272144 /nfs/dbraw/zinc/27/21/44/1045272144.db2.gz YJLCWAUXSBXZJD-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)o1 ZINC000611275774 1045272149 /nfs/dbraw/zinc/27/21/49/1045272149.db2.gz YJLCWAUXSBXZJD-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611387750 1045295050 /nfs/dbraw/zinc/29/50/50/1045295050.db2.gz SHUVYEPKWCLEOA-CQSZACIVSA-N 1 2 332.407 4.021 20 30 EIEDLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C#N)c1 ZINC000611387674 1045295236 /nfs/dbraw/zinc/29/52/36/1045295236.db2.gz DOXSEGZUEFTQJU-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768168220 1045735202 /nfs/dbraw/zinc/73/52/02/1045735202.db2.gz CKBAGDVYAKIUKO-ZDUSSCGKSA-N 1 2 332.806 4.402 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768168220 1045735217 /nfs/dbraw/zinc/73/52/17/1045735217.db2.gz CKBAGDVYAKIUKO-ZDUSSCGKSA-N 1 2 332.806 4.402 20 30 EIEDLO C=C(C)C[N@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccccc1 ZINC000791566190 1045770614 /nfs/dbraw/zinc/77/06/14/1045770614.db2.gz NAYSAQXAMLODNF-UHFFFAOYSA-N 1 2 337.398 4.454 20 30 EIEDLO C=C(C)C[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccccc1 ZINC000791566190 1045770622 /nfs/dbraw/zinc/77/06/22/1045770622.db2.gz NAYSAQXAMLODNF-UHFFFAOYSA-N 1 2 337.398 4.454 20 30 EIEDLO C#CCOc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000769315283 1045918356 /nfs/dbraw/zinc/91/83/56/1045918356.db2.gz KHBQMEHNUSICNE-UHFFFAOYSA-N 1 2 347.414 4.200 20 30 EIEDLO C#CCOc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000769315283 1045918348 /nfs/dbraw/zinc/91/83/48/1045918348.db2.gz KHBQMEHNUSICNE-UHFFFAOYSA-N 1 2 347.414 4.200 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(Cl)ccc1OC(F)F ZINC000769610993 1046034003 /nfs/dbraw/zinc/03/40/03/1046034003.db2.gz UTKOEOAVBFEZAB-AATRIKPKSA-N 1 2 348.736 4.485 20 30 EIEDLO C[C@@]12CC[N@H+](CC#Cc3ccccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792903065 1046097167 /nfs/dbraw/zinc/09/71/67/1046097167.db2.gz JQNLGWKAMALQME-LSDHHAIUSA-N 1 2 328.670 4.207 20 30 EIEDLO C[C@@]12CC[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792903065 1046097179 /nfs/dbraw/zinc/09/71/79/1046097179.db2.gz JQNLGWKAMALQME-LSDHHAIUSA-N 1 2 328.670 4.207 20 30 EIEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769975366 1046118653 /nfs/dbraw/zinc/11/86/53/1046118653.db2.gz DSVRGOKBZCNVNM-LLVKDONJSA-N 1 2 335.270 4.026 20 30 EIEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769975366 1046118662 /nfs/dbraw/zinc/11/86/62/1046118662.db2.gz DSVRGOKBZCNVNM-LLVKDONJSA-N 1 2 335.270 4.026 20 30 EIEDLO FC(F)(F)c1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917022713 1046566522 /nfs/dbraw/zinc/56/65/22/1046566522.db2.gz GTJKOEUGEMSHLK-UHFFFAOYSA-N 1 2 330.313 4.337 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000459463371 1046702288 /nfs/dbraw/zinc/70/22/88/1046702288.db2.gz LFWVBTDXVAFUDN-XYJFISCASA-N 1 2 349.434 4.088 20 30 EIEDLO C#Cc1ccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000787771518 1047051289 /nfs/dbraw/zinc/05/12/89/1047051289.db2.gz QVFWYZXHFKPJGL-UHFFFAOYSA-N 1 2 341.458 4.277 20 30 EIEDLO CCCCCCOc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000897632975 1047405875 /nfs/dbraw/zinc/40/58/75/1047405875.db2.gz RYPPCVKVWOGHEH-UHFFFAOYSA-N 1 2 329.469 4.264 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000557059074 1048471118 /nfs/dbraw/zinc/47/11/18/1048471118.db2.gz VGEDWIQHJAZAJR-CQSZACIVSA-N 1 2 342.936 4.423 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000557059074 1048471137 /nfs/dbraw/zinc/47/11/37/1048471137.db2.gz VGEDWIQHJAZAJR-CQSZACIVSA-N 1 2 342.936 4.423 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N\Cc1ccccc1-n1cc[nH+]c1 ZINC000920177999 1048573954 /nfs/dbraw/zinc/57/39/54/1048573954.db2.gz NGOJDFUTBSGLOV-UCQKPKSFSA-N 1 2 327.387 4.350 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(Cl)cc1 ZINC000811516928 1049101256 /nfs/dbraw/zinc/10/12/56/1049101256.db2.gz YMNKCWUDVDUITJ-FZKQIMNGSA-N 1 2 341.838 4.136 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1ccc(Cl)cc1 ZINC000811516252 1049129408 /nfs/dbraw/zinc/12/94/08/1049129408.db2.gz HVTGOODBUNPPNR-DJJJIMSYSA-N 1 2 341.838 4.136 20 30 EIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819033012 1049244751 /nfs/dbraw/zinc/24/47/51/1049244751.db2.gz FPIYKAVNXSDMCS-VGOFRKELSA-N 1 2 345.446 4.134 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1csc(-c2ccccc2F)n1 ZINC000812245419 1049401622 /nfs/dbraw/zinc/40/16/22/1049401622.db2.gz UCCPTXSTJZOFKC-HJWRWDBZSA-N 1 2 349.390 4.493 20 30 EIEDLO CCc1ccc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610003371 1049472572 /nfs/dbraw/zinc/47/25/72/1049472572.db2.gz XPVJJJCEBQJZRE-INIZCTEOSA-N 1 2 339.508 4.061 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@H](CC#N)c3ccccc3)c2)[nH+]c1C ZINC001136399186 1049583074 /nfs/dbraw/zinc/58/30/74/1049583074.db2.gz MUDZCSQXMOITLY-LJQANCHMSA-N 1 2 344.418 4.330 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793853 1049591149 /nfs/dbraw/zinc/59/11/49/1049591149.db2.gz HQDMXZOOXXRFSJ-INIZCTEOSA-N 1 2 325.280 4.448 20 30 EIEDLO CCCCCCC[C@@H](CC)[NH2+][C@H](Cc1ccccn1)C(=O)OCC ZINC001172350172 1049891197 /nfs/dbraw/zinc/89/11/97/1049891197.db2.gz KXPMZGQCGAEZBQ-IEBWSBKVSA-N 1 2 334.504 4.285 20 30 EIEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](CCC#N)CCC(C)C ZINC001180030696 1050860474 /nfs/dbraw/zinc/86/04/74/1050860474.db2.gz OAUZXCYLGHAYGR-UHFFFAOYSA-N 1 2 328.435 4.082 20 30 EIEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](CCC#N)CCC(C)C ZINC001180030696 1050860479 /nfs/dbraw/zinc/86/04/79/1050860479.db2.gz OAUZXCYLGHAYGR-UHFFFAOYSA-N 1 2 328.435 4.082 20 30 EIEDLO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC001189251839 1050939270 /nfs/dbraw/zinc/93/92/70/1050939270.db2.gz GGQNMBLDRPNYOS-UHFFFAOYSA-N 1 2 334.423 4.424 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)o2)c1 ZINC000775338793 1051094813 /nfs/dbraw/zinc/09/48/13/1051094813.db2.gz SDAHHIUEWHMZOX-LSDHHAIUSA-N 1 2 332.407 4.329 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191773011 1051532253 /nfs/dbraw/zinc/53/22/53/1051532253.db2.gz IFAGJELSUSIIMG-OXQOHEQNSA-N 1 2 339.870 4.283 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352853 1051543167 /nfs/dbraw/zinc/54/31/67/1051543167.db2.gz TVQGPNKPJFUNDL-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO Cc1ccc(OCc2ccccc2)c([NH+]=C(NO)c2ccccc2N)c1 ZINC001175719439 1051740677 /nfs/dbraw/zinc/74/06/77/1051740677.db2.gz GXVZFEGOQAVWCE-UHFFFAOYSA-N 1 2 347.418 4.213 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+]2CCc3cc(C(C)C)ccc3C2)c1C#N ZINC001177027144 1052218185 /nfs/dbraw/zinc/21/81/85/1052218185.db2.gz GKELVJOVSBBAJP-UHFFFAOYSA-N 1 2 348.446 4.027 20 30 EIEDLO COC(=O)c1cccc(C[N@H+]2CCc3cc(C(C)C)ccc3C2)c1C#N ZINC001177027144 1052218190 /nfs/dbraw/zinc/21/81/90/1052218190.db2.gz GKELVJOVSBBAJP-UHFFFAOYSA-N 1 2 348.446 4.027 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121938 1052591526 /nfs/dbraw/zinc/59/15/26/1052591526.db2.gz VOKTVTCCJWOURS-UHFFFAOYSA-N 1 2 346.418 4.178 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121938 1052591531 /nfs/dbraw/zinc/59/15/31/1052591531.db2.gz VOKTVTCCJWOURS-UHFFFAOYSA-N 1 2 346.418 4.178 20 30 EIEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000764058447 1053026235 /nfs/dbraw/zinc/02/62/35/1053026235.db2.gz HYHRYARVASEQFN-UHFFFAOYSA-N 1 2 331.843 4.459 20 30 EIEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000764058447 1053026242 /nfs/dbraw/zinc/02/62/42/1053026242.db2.gz HYHRYARVASEQFN-UHFFFAOYSA-N 1 2 331.843 4.459 20 30 EIEDLO CN(C)c1cc(F)ccc1C(=O)/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000764441268 1053105806 /nfs/dbraw/zinc/10/58/06/1053105806.db2.gz FMMCUZVVVHQQCV-FNORWQNLSA-N 1 2 343.789 4.089 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000794649691 1053246505 /nfs/dbraw/zinc/24/65/05/1053246505.db2.gz CXPWGHVRTUIVEP-MRXNPFEDSA-N 1 2 342.508 4.070 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000794649691 1053246526 /nfs/dbraw/zinc/24/65/26/1053246526.db2.gz CXPWGHVRTUIVEP-MRXNPFEDSA-N 1 2 342.508 4.070 20 30 EIEDLO C=CCCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001195115474 1053276632 /nfs/dbraw/zinc/27/66/32/1053276632.db2.gz XFNXEHZXDWKIRN-UHFFFAOYSA-N 1 2 333.391 4.080 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c(F)c1 ZINC000112710264 1053281185 /nfs/dbraw/zinc/28/11/85/1053281185.db2.gz WPKFSUKCKPWZNS-UHFFFAOYSA-N 1 2 340.732 4.242 20 30 EIEDLO Cc1c2ccccc2oc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794698615 1053319779 /nfs/dbraw/zinc/31/97/79/1053319779.db2.gz PKRYOYHVOIXJGW-HJWRWDBZSA-N 1 2 326.421 4.155 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc3c(s2)CCCC3)s1 ZINC000794703280 1053323250 /nfs/dbraw/zinc/32/32/50/1053323250.db2.gz RMXOTONJAWHHGH-FPLPWBNLSA-N 1 2 332.494 4.041 20 30 EIEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NOCC(F)(F)F)CC1 ZINC000764847250 1053330505 /nfs/dbraw/zinc/33/05/05/1053330505.db2.gz WGMNZKSZRPYPCP-UHFFFAOYSA-N 1 2 338.732 4.010 20 30 EIEDLO CCSc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794704056 1053335144 /nfs/dbraw/zinc/33/51/44/1053335144.db2.gz WSABTHQLDUTWNL-MDZDMXLPSA-N 1 2 332.494 4.213 20 30 EIEDLO CSc1ccc2c(c1)CC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708956 1053337023 /nfs/dbraw/zinc/33/70/23/1053337023.db2.gz VXPZRSHKIVZUHE-UKTHLTGXSA-N 1 2 344.505 4.139 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1cccs1 ZINC000764970104 1053401884 /nfs/dbraw/zinc/40/18/84/1053401884.db2.gz IIADFNGQQOVLNW-CQSZACIVSA-N 1 2 346.525 4.160 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1cccs1 ZINC000764970104 1053401898 /nfs/dbraw/zinc/40/18/98/1053401898.db2.gz IIADFNGQQOVLNW-CQSZACIVSA-N 1 2 346.525 4.160 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765054291 1053425636 /nfs/dbraw/zinc/42/56/36/1053425636.db2.gz DTOGTYWALGWDEY-UONOGXRCSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765054291 1053425641 /nfs/dbraw/zinc/42/56/41/1053425641.db2.gz DTOGTYWALGWDEY-UONOGXRCSA-N 1 2 348.541 4.406 20 30 EIEDLO C#CC[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(F)cc1 ZINC000775665183 1053443849 /nfs/dbraw/zinc/44/38/49/1053443849.db2.gz ZXLAYGUGEVUDBN-UHFFFAOYSA-N 1 2 339.439 4.048 20 30 EIEDLO C#CC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(F)cc1 ZINC000775665183 1053443854 /nfs/dbraw/zinc/44/38/54/1053443854.db2.gz ZXLAYGUGEVUDBN-UHFFFAOYSA-N 1 2 339.439 4.048 20 30 EIEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(C(F)F)CC2)c1=S ZINC000765147867 1053451878 /nfs/dbraw/zinc/45/18/78/1053451878.db2.gz AOKUCVYMZXHZOH-UHFFFAOYSA-N 1 2 337.439 4.293 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(OC(F)F)c1 ZINC000866233444 1053658117 /nfs/dbraw/zinc/65/81/17/1053658117.db2.gz SMXFBBGJRNVYLZ-NEPJUHHUSA-N 1 2 332.350 4.277 20 30 EIEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c(Cl)c1 ZINC000853355374 1053671054 /nfs/dbraw/zinc/67/10/54/1053671054.db2.gz MDRKNPBLFFRPNF-UHFFFAOYSA-N 1 2 343.858 4.056 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cn3ncc(Cl)c3C3CC3)CC2)cc1 ZINC000853506205 1053682354 /nfs/dbraw/zinc/68/23/54/1053682354.db2.gz WRDANOFZAJWBFT-UHFFFAOYSA-N 1 2 338.842 4.032 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cn3ncc(Cl)c3C3CC3)CC2)cc1 ZINC000853506205 1053682360 /nfs/dbraw/zinc/68/23/60/1053682360.db2.gz WRDANOFZAJWBFT-UHFFFAOYSA-N 1 2 338.842 4.032 20 30 EIEDLO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866311900 1053686689 /nfs/dbraw/zinc/68/66/89/1053686689.db2.gz WVJYUDGLROUFEL-RZQQEMMASA-N 1 2 336.435 4.082 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218225 1054096851 /nfs/dbraw/zinc/09/68/51/1054096851.db2.gz DWRIFPXLFIBHKH-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218225 1054096859 /nfs/dbraw/zinc/09/68/59/1054096859.db2.gz DWRIFPXLFIBHKH-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000347518790 1054492408 /nfs/dbraw/zinc/49/24/08/1054492408.db2.gz NHTQOEMTRBOTRS-QGZVFWFLSA-N 1 2 341.480 4.174 20 30 EIEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000347518790 1054492427 /nfs/dbraw/zinc/49/24/27/1054492427.db2.gz NHTQOEMTRBOTRS-QGZVFWFLSA-N 1 2 341.480 4.174 20 30 EIEDLO C=C(C)COc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1OC ZINC000873165725 1054497392 /nfs/dbraw/zinc/49/73/92/1054497392.db2.gz NONDGRVIWJXHSY-UHFFFAOYSA-N 1 2 338.860 4.050 20 30 EIEDLO Cc1cc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c(C)s1 ZINC000347565583 1054668771 /nfs/dbraw/zinc/66/87/71/1054668771.db2.gz IJSIINYGOLZLQX-LBPRGKRZSA-N 1 2 338.436 4.137 20 30 EIEDLO CN(C)c1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)c(C(F)(F)F)c1 ZINC000794465462 1055125190 /nfs/dbraw/zinc/12/51/90/1055125190.db2.gz USDAVZWKTLGOAX-UHFFFAOYSA-N 1 2 347.344 4.094 20 30 EIEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921657562 1055501276 /nfs/dbraw/zinc/50/12/76/1055501276.db2.gz VTPZZGCXTYYNDJ-ROUUACIJSA-N 1 2 339.439 4.003 20 30 EIEDLO C=CCc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc(OC)c1OC ZINC000921695136 1055904749 /nfs/dbraw/zinc/90/47/49/1055904749.db2.gz QBLUNSHTMJYEGF-UHFFFAOYSA-N 1 2 344.455 4.008 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c(F)c1 ZINC000737444725 1058350173 /nfs/dbraw/zinc/35/01/73/1058350173.db2.gz STEJNMCDMTZVTC-ZZXKWVIFSA-N 1 2 330.746 4.032 20 30 EIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746033455 1059974899 /nfs/dbraw/zinc/97/48/99/1059974899.db2.gz TUWMQEYCXFQXCS-UHFFFAOYSA-N 1 2 348.425 4.429 20 30 EIEDLO CC(C)[N@H+](Cc1ccccc1F)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746033455 1059974940 /nfs/dbraw/zinc/97/49/40/1059974940.db2.gz TUWMQEYCXFQXCS-UHFFFAOYSA-N 1 2 348.425 4.429 20 30 EIEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC001169382667 1060784029 /nfs/dbraw/zinc/78/40/29/1060784029.db2.gz LKIYZMNCLWLIKI-BPUTZDHNSA-N 1 2 341.373 4.049 20 30 EIEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459378006 1032127500 /nfs/dbraw/zinc/12/75/00/1032127500.db2.gz PCTYKYUQXDUJHJ-INIZCTEOSA-N 1 2 327.409 4.174 20 30 EIEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459378006 1032127505 /nfs/dbraw/zinc/12/75/05/1032127505.db2.gz PCTYKYUQXDUJHJ-INIZCTEOSA-N 1 2 327.409 4.174 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000237501664 1032231917 /nfs/dbraw/zinc/23/19/17/1032231917.db2.gz WEWYAQJASKAOCN-KXBFYZLASA-N 1 2 349.459 4.313 20 30 EIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@@H](C#N)C2CCCCC2)c(C)c1 ZINC000532736748 1032289007 /nfs/dbraw/zinc/28/90/07/1032289007.db2.gz DQWPOJYLRSWOIG-LEWJYISDSA-N 1 2 336.483 4.303 20 30 EIEDLO CC(C)(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000459385609 1032455777 /nfs/dbraw/zinc/45/57/77/1032455777.db2.gz JURAEWCKDJLFRV-SFHVURJKSA-N 1 2 341.386 4.483 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cccc(C#N)c3F)[C@@H](C)CO2)c1 ZINC000512457233 1032819401 /nfs/dbraw/zinc/81/94/01/1032819401.db2.gz REGHRECQWCJJPA-JXFKEZNVSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)[C@@H](C)CO2)c1 ZINC000512457233 1032819403 /nfs/dbraw/zinc/81/94/03/1032819403.db2.gz REGHRECQWCJJPA-JXFKEZNVSA-N 1 2 338.426 4.276 20 30 EIEDLO C=CC[NH+](CC=C)Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001140191360 1021065140 /nfs/dbraw/zinc/06/51/40/1021065140.db2.gz YRMJPOROQMOOFC-UHFFFAOYSA-N 1 2 337.851 4.256 20 30 EIEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)CC2 ZINC000582092330 1021918074 /nfs/dbraw/zinc/91/80/74/1021918074.db2.gz MNEHANOUKMQJRX-MOPGFXCFSA-N 1 2 331.444 4.381 20 30 EIEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2Cn2cc[nH+]c2)n1 ZINC000613410667 1021974643 /nfs/dbraw/zinc/97/46/43/1021974643.db2.gz RRSHUJYNYKLAAK-UHFFFAOYSA-N 1 2 345.450 4.108 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(F)c1 ZINC000050231660 1022024150 /nfs/dbraw/zinc/02/41/50/1022024150.db2.gz ZRPLHMVBBFXPSV-LJQANCHMSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(F)c1 ZINC000050231660 1022024169 /nfs/dbraw/zinc/02/41/69/1022024169.db2.gz ZRPLHMVBBFXPSV-LJQANCHMSA-N 1 2 342.389 4.018 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000613443639 1022045915 /nfs/dbraw/zinc/04/59/15/1022045915.db2.gz WXGUZAQTLNHNLR-UHFFFAOYSA-N 1 2 347.393 4.478 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1ccc(F)c(F)c1 ZINC000187795365 1022393480 /nfs/dbraw/zinc/39/34/80/1022393480.db2.gz LAAIXBREHRHORN-SFHVURJKSA-N 1 2 349.352 4.298 20 30 EIEDLO N#Cc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000378269649 1022605325 /nfs/dbraw/zinc/60/53/25/1022605325.db2.gz IYWLHOIGDKFGKJ-UHFFFAOYSA-N 1 2 326.403 4.086 20 30 EIEDLO Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC001167709477 1023057105 /nfs/dbraw/zinc/05/71/05/1023057105.db2.gz YPYBWOWYGNPUIT-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC001167709477 1023057112 /nfs/dbraw/zinc/05/71/12/1023057112.db2.gz YPYBWOWYGNPUIT-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO C[C@H](Nc1[nH]c2ccc(Br)cc2[nH+]1)c1cccc(C#N)c1 ZINC001167709698 1023061036 /nfs/dbraw/zinc/06/10/36/1023061036.db2.gz BIULDXTVKCAVGZ-JTQLQIEISA-N 1 2 341.212 4.370 20 30 EIEDLO C[C@H](Nc1[nH]c2cc(Br)ccc2[nH+]1)c1cccc(C#N)c1 ZINC001167709698 1023061042 /nfs/dbraw/zinc/06/10/42/1023061042.db2.gz BIULDXTVKCAVGZ-JTQLQIEISA-N 1 2 341.212 4.370 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000276494293 1023593932 /nfs/dbraw/zinc/59/39/32/1023593932.db2.gz VHXVBTKRKBZFCY-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000276494293 1023593938 /nfs/dbraw/zinc/59/39/38/1023593938.db2.gz VHXVBTKRKBZFCY-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(-c2ccncc2)c1 ZINC000255365866 1023618193 /nfs/dbraw/zinc/61/81/93/1023618193.db2.gz QUXXVIONGUKTIL-FPLPWBNLSA-N 1 2 325.371 4.292 20 30 EIEDLO C=CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H](C)COC ZINC000661243341 1024011403 /nfs/dbraw/zinc/01/14/03/1024011403.db2.gz JITPLYVXPBZCBV-CYBMUJFWSA-N 1 2 334.847 4.326 20 30 EIEDLO C=CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H](C)COC ZINC000661243341 1024011417 /nfs/dbraw/zinc/01/14/17/1024011417.db2.gz JITPLYVXPBZCBV-CYBMUJFWSA-N 1 2 334.847 4.326 20 30 EIEDLO Cc1nc(C(F)(F)F)c(C[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000933773579 1024301481 /nfs/dbraw/zinc/30/14/81/1024301481.db2.gz OIAVJOZRVGWDDL-UHFFFAOYSA-N 1 2 331.388 4.036 20 30 EIEDLO Cc1nc(C(F)(F)F)c(C[N@@H+](C)Cc2cc(C#N)cs2)s1 ZINC000933773579 1024301499 /nfs/dbraw/zinc/30/14/99/1024301499.db2.gz OIAVJOZRVGWDDL-UHFFFAOYSA-N 1 2 331.388 4.036 20 30 EIEDLO CCSc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000473137174 1024363331 /nfs/dbraw/zinc/36/33/31/1024363331.db2.gz CSQCVVSYZJZOJO-HXUWFJFHSA-N 1 2 338.476 4.244 20 30 EIEDLO CCSc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000473137174 1024363350 /nfs/dbraw/zinc/36/33/50/1024363350.db2.gz CSQCVVSYZJZOJO-HXUWFJFHSA-N 1 2 338.476 4.244 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000510857927 1024660878 /nfs/dbraw/zinc/66/08/78/1024660878.db2.gz VTTZNRUUAXSSRX-MRXNPFEDSA-N 1 2 328.481 4.178 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000510857927 1024660883 /nfs/dbraw/zinc/66/08/83/1024660883.db2.gz VTTZNRUUAXSSRX-MRXNPFEDSA-N 1 2 328.481 4.178 20 30 EIEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](c2ccco2)C1 ZINC000247700273 1025151954 /nfs/dbraw/zinc/15/19/54/1025151954.db2.gz XSLZDPRFPXWVTO-WMLDXEAASA-N 1 2 348.406 4.174 20 30 EIEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](c2ccco2)C1 ZINC000247700273 1025151963 /nfs/dbraw/zinc/15/19/63/1025151963.db2.gz XSLZDPRFPXWVTO-WMLDXEAASA-N 1 2 348.406 4.174 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1nnc(CC)o1)c1ccc(C(F)(F)F)cc1 ZINC000342227492 1025502547 /nfs/dbraw/zinc/50/25/47/1025502547.db2.gz RIPGETVUZZHBOB-CQSZACIVSA-N 1 2 339.361 4.448 20 30 EIEDLO CCC[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(C#N)cc1 ZINC000132212067 1025827180 /nfs/dbraw/zinc/82/71/80/1025827180.db2.gz NUHHPYBBTUIFCO-UHFFFAOYSA-N 1 2 339.386 4.446 20 30 EIEDLO CCC[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(C#N)cc1 ZINC000132212067 1025827186 /nfs/dbraw/zinc/82/71/86/1025827186.db2.gz NUHHPYBBTUIFCO-UHFFFAOYSA-N 1 2 339.386 4.446 20 30 EIEDLO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625997 1026013704 /nfs/dbraw/zinc/01/37/04/1026013704.db2.gz PYJLOSOXKMYUGW-BFUOFWGJSA-N 1 2 345.849 4.304 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896171 1026182702 /nfs/dbraw/zinc/18/27/02/1026182702.db2.gz DXKGJRDBMKXEOT-UHFFFAOYSA-N 1 2 348.406 4.104 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896171 1026182707 /nfs/dbraw/zinc/18/27/07/1026182707.db2.gz DXKGJRDBMKXEOT-UHFFFAOYSA-N 1 2 348.406 4.104 20 30 EIEDLO C[C@H](c1ccsc1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187724553 1026306624 /nfs/dbraw/zinc/30/66/24/1026306624.db2.gz UYMQXXBUCJWDKH-HZPDHXFCSA-N 1 2 325.481 4.060 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCc3ccc(Br)cc3C2)cc1C#N ZINC001139726667 1026339682 /nfs/dbraw/zinc/33/96/82/1026339682.db2.gz YVSDFZGWHZLJMZ-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1ccc(C[N@H+]2CCc3ccc(Br)cc3C2)cc1C#N ZINC001139726667 1026339695 /nfs/dbraw/zinc/33/96/95/1026339695.db2.gz YVSDFZGWHZLJMZ-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO COc1cccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)c1 ZINC000046517922 1026890536 /nfs/dbraw/zinc/89/05/36/1026890536.db2.gz QENOQOMDVABLRR-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1cccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)c1 ZINC000046517922 1026890538 /nfs/dbraw/zinc/89/05/38/1026890538.db2.gz QENOQOMDVABLRR-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO C[N@H+](Cc1csc(-c2cccs2)n1)Cc1cccc(C#N)c1 ZINC000046517986 1026898397 /nfs/dbraw/zinc/89/83/97/1026898397.db2.gz YSWLBKLZTNIDOP-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1cccc(C#N)c1 ZINC000046517986 1026898404 /nfs/dbraw/zinc/89/84/04/1026898404.db2.gz YSWLBKLZTNIDOP-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(Br)c3)c[nH+]c12 ZINC000303917464 1027700936 /nfs/dbraw/zinc/70/09/36/1027700936.db2.gz SVELTJWZGCHUGE-BQYQJAHWSA-N 1 2 341.208 4.301 20 30 EIEDLO CC(C)(C)c1ncc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000162253037 1027838186 /nfs/dbraw/zinc/83/81/86/1027838186.db2.gz QRSBGPWPNQFHEL-UHFFFAOYSA-N 1 2 330.457 4.130 20 30 EIEDLO COc1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1C#N ZINC000161534338 1028016301 /nfs/dbraw/zinc/01/63/01/1028016301.db2.gz IPJCLGSWKGCLAX-AWEZNQCLSA-N 1 2 333.391 4.073 20 30 EIEDLO CCS[C@H](C)c1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247996120 1028064448 /nfs/dbraw/zinc/06/44/48/1028064448.db2.gz JXJQMEJYQMRJLZ-ZIAGYGMSSA-N 1 2 344.484 4.338 20 30 EIEDLO CCS[C@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247996120 1028064470 /nfs/dbraw/zinc/06/44/70/1028064470.db2.gz JXJQMEJYQMRJLZ-ZIAGYGMSSA-N 1 2 344.484 4.338 20 30 EIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000330249293 1028237818 /nfs/dbraw/zinc/23/78/18/1028237818.db2.gz MPRAHQLEQAKIDK-CJNGLKHVSA-N 1 2 333.819 4.319 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000027775295 1028775755 /nfs/dbraw/zinc/77/57/55/1028775755.db2.gz LKUITMBWJAHKFF-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000027775295 1028775774 /nfs/dbraw/zinc/77/57/74/1028775774.db2.gz LKUITMBWJAHKFF-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO CC(C)[N@@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC000346963838 1028831003 /nfs/dbraw/zinc/83/10/03/1028831003.db2.gz ABQMDIDOTXZCGG-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC000346963838 1028830999 /nfs/dbraw/zinc/83/09/99/1028830999.db2.gz ABQMDIDOTXZCGG-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1c(C)noc1C ZINC000347222853 1028936226 /nfs/dbraw/zinc/93/62/26/1028936226.db2.gz GPYQLQIYVJPZRC-OAHLLOKOSA-N 1 2 348.244 4.167 20 30 EIEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1N1CCCC1 ZINC000343374557 1029095101 /nfs/dbraw/zinc/09/51/01/1029095101.db2.gz HGMCPVKEHJVEAV-UHFFFAOYSA-N 1 2 344.462 4.043 20 30 EIEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1N1CCCC1 ZINC000343374557 1029095123 /nfs/dbraw/zinc/09/51/23/1029095123.db2.gz HGMCPVKEHJVEAV-UHFFFAOYSA-N 1 2 344.462 4.043 20 30 EIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182386428 1029961835 /nfs/dbraw/zinc/96/18/35/1029961835.db2.gz DNOSQIZFDQYQRL-MRXNPFEDSA-N 1 2 340.389 4.409 20 30 EIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182386428 1029961875 /nfs/dbraw/zinc/96/18/75/1029961875.db2.gz DNOSQIZFDQYQRL-MRXNPFEDSA-N 1 2 340.389 4.409 20 30 EIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccoc1C ZINC000187274584 1030355643 /nfs/dbraw/zinc/35/56/43/1030355643.db2.gz SGVJVOBAFLTPHC-UHFFFAOYSA-N 1 2 340.452 4.337 20 30 EIEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CCC(C)C)CC2)c(C#N)c1C ZINC001167688303 1031352305 /nfs/dbraw/zinc/35/23/05/1031352305.db2.gz CQMXIOAKGBRFOB-HNNXBMFYSA-N 1 2 345.487 4.243 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2ccnc2)nc1 ZINC000177232900 1031467121 /nfs/dbraw/zinc/46/71/21/1031467121.db2.gz RFCUMMAORXEZNX-UHFFFAOYSA-N 1 2 344.871 4.170 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2ccnc2)nc1 ZINC000177232900 1031467137 /nfs/dbraw/zinc/46/71/37/1031467137.db2.gz RFCUMMAORXEZNX-UHFFFAOYSA-N 1 2 344.871 4.170 20 30 EIEDLO C=CCN(CC=C)C(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000053098518 1031502096 /nfs/dbraw/zinc/50/20/96/1031502096.db2.gz KPTMKFDJOWKYNX-UHFFFAOYSA-N 1 2 346.521 4.012 20 30 EIEDLO Cc1ccc2sc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)nc2c1 ZINC000528490947 1031581038 /nfs/dbraw/zinc/58/10/38/1031581038.db2.gz HSFJOVFRBIJNSK-UHFFFAOYSA-N 1 2 348.475 4.057 20 30 EIEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127632224 1031702115 /nfs/dbraw/zinc/70/21/15/1031702115.db2.gz IRQZKPVCOOWHBB-CQSZACIVSA-N 1 2 333.357 4.238 20 30 EIEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127632224 1031702131 /nfs/dbraw/zinc/70/21/31/1031702131.db2.gz IRQZKPVCOOWHBB-CQSZACIVSA-N 1 2 333.357 4.238 20 30 EIEDLO CC(C)(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000459345766 1031865330 /nfs/dbraw/zinc/86/53/30/1031865330.db2.gz DAAJZFDSTHMBLW-SFHVURJKSA-N 1 2 341.386 4.483 20 30 EIEDLO CC(C)CCc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433016474 1033658393 /nfs/dbraw/zinc/65/83/93/1033658393.db2.gz RAERJRYUSYLQRF-KRWDZBQOSA-N 1 2 326.444 4.183 20 30 EIEDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000280507149 1035284115 /nfs/dbraw/zinc/28/41/15/1035284115.db2.gz CRFMDIWWELZOFH-INIZCTEOSA-N 1 2 343.496 4.061 20 30 EIEDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000280507149 1035284126 /nfs/dbraw/zinc/28/41/26/1035284126.db2.gz CRFMDIWWELZOFH-INIZCTEOSA-N 1 2 343.496 4.061 20 30 EIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000595092238 1035599097 /nfs/dbraw/zinc/59/90/97/1035599097.db2.gz ZYVRLTLONDJBGQ-ZDUSSCGKSA-N 1 2 330.863 4.351 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000595617352 1035738335 /nfs/dbraw/zinc/73/83/35/1035738335.db2.gz YUEOPSNVFJDHNG-KRWDZBQOSA-N 1 2 325.481 4.054 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000595617352 1035738356 /nfs/dbraw/zinc/73/83/56/1035738356.db2.gz YUEOPSNVFJDHNG-KRWDZBQOSA-N 1 2 325.481 4.054 20 30 EIEDLO CCc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)cc1 ZINC000595641484 1035756933 /nfs/dbraw/zinc/75/69/33/1035756933.db2.gz NRVPPHCGQPJNJF-UHFFFAOYSA-N 1 2 346.434 4.196 20 30 EIEDLO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595711569 1035769396 /nfs/dbraw/zinc/76/93/96/1035769396.db2.gz IJTWCWJNQZDCIN-ZDUSSCGKSA-N 1 2 340.393 4.352 20 30 EIEDLO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595711569 1035769430 /nfs/dbraw/zinc/76/94/30/1035769430.db2.gz IJTWCWJNQZDCIN-ZDUSSCGKSA-N 1 2 340.393 4.352 20 30 EIEDLO CCc1cc(C#N)c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571101768 1035945917 /nfs/dbraw/zinc/94/59/17/1035945917.db2.gz BEWUBJNCDWZOKG-HNNXBMFYSA-N 1 2 347.871 4.077 20 30 EIEDLO N#CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCCC1 ZINC000597009465 1036069524 /nfs/dbraw/zinc/06/95/24/1036069524.db2.gz QZZHYSLDHDUNCL-UHFFFAOYSA-N 1 2 342.830 4.328 20 30 EIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815123 1036732696 /nfs/dbraw/zinc/73/26/96/1036732696.db2.gz JABSBJXVQXNCCB-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815123 1036732711 /nfs/dbraw/zinc/73/27/11/1036732711.db2.gz JABSBJXVQXNCCB-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811379 1036734656 /nfs/dbraw/zinc/73/46/56/1036734656.db2.gz SUAKLBXBGSCTHG-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811379 1036734676 /nfs/dbraw/zinc/73/46/76/1036734676.db2.gz SUAKLBXBGSCTHG-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO N#CCC[C@H]([NH2+]Cc1ncc(Br)cc1F)c1ccccc1 ZINC000598971537 1036835570 /nfs/dbraw/zinc/83/55/70/1036835570.db2.gz VRKUACGFEMHJEA-HNNXBMFYSA-N 1 2 348.219 4.118 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856558 1037050230 /nfs/dbraw/zinc/05/02/30/1037050230.db2.gz DIWUEPCVNXJNNF-HNNXBMFYSA-N 1 2 347.890 4.018 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856558 1037050243 /nfs/dbraw/zinc/05/02/43/1037050243.db2.gz DIWUEPCVNXJNNF-HNNXBMFYSA-N 1 2 347.890 4.018 20 30 EIEDLO CC(C)c1ccc(OC2CC[NH+](Cc3ccncc3C#N)CC2)cc1 ZINC000592060474 1037721957 /nfs/dbraw/zinc/72/19/57/1037721957.db2.gz OJOLTQCSXREQRA-UHFFFAOYSA-N 1 2 335.451 4.120 20 30 EIEDLO N#Cc1cnccc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000592058669 1037730070 /nfs/dbraw/zinc/73/00/70/1037730070.db2.gz KGZUMKMCYITRKU-UHFFFAOYSA-N 1 2 331.341 4.137 20 30 EIEDLO N#Cc1cnccc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000592058669 1037730086 /nfs/dbraw/zinc/73/00/86/1037730086.db2.gz KGZUMKMCYITRKU-UHFFFAOYSA-N 1 2 331.341 4.137 20 30 EIEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1cccs1 ZINC000669730985 1037891433 /nfs/dbraw/zinc/89/14/33/1037891433.db2.gz MBBMSCWLBWHIJH-INIZCTEOSA-N 1 2 340.492 4.104 20 30 EIEDLO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1cccs1 ZINC000669730985 1037891434 /nfs/dbraw/zinc/89/14/34/1037891434.db2.gz MBBMSCWLBWHIJH-INIZCTEOSA-N 1 2 340.492 4.104 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c(OC)c1 ZINC000489565779 1038138920 /nfs/dbraw/zinc/13/89/20/1038138920.db2.gz JZCDUSYFFZHRQP-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c(OC)c1 ZINC000489565779 1038138937 /nfs/dbraw/zinc/13/89/37/1038138937.db2.gz JZCDUSYFFZHRQP-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000489680885 1038206443 /nfs/dbraw/zinc/20/64/43/1038206443.db2.gz SRQZAFDDKGPEMC-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000489680885 1038206466 /nfs/dbraw/zinc/20/64/66/1038206466.db2.gz SRQZAFDDKGPEMC-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccc(C#N)cc1 ZINC000046527370 1038288028 /nfs/dbraw/zinc/28/80/28/1038288028.db2.gz XEARKXIHTIDYIM-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccc(C#N)cc1 ZINC000046527370 1038288038 /nfs/dbraw/zinc/28/80/38/1038288038.db2.gz XEARKXIHTIDYIM-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO N#Cc1ccc(C2([NH2+]Cc3ncc(C(F)(F)F)s3)CCC2)cc1 ZINC000594521990 1038361055 /nfs/dbraw/zinc/36/10/55/1038361055.db2.gz WMLZTNFAJGPTBQ-UHFFFAOYSA-N 1 2 337.370 4.203 20 30 EIEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(C)C ZINC000612404358 1038816163 /nfs/dbraw/zinc/81/61/63/1038816163.db2.gz KAFQYHZQZUYYBA-HXUWFJFHSA-N 1 2 330.472 4.246 20 30 EIEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(C)C ZINC000612404358 1038816164 /nfs/dbraw/zinc/81/61/64/1038816164.db2.gz KAFQYHZQZUYYBA-HXUWFJFHSA-N 1 2 330.472 4.246 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076450 1039126022 /nfs/dbraw/zinc/12/60/22/1039126022.db2.gz OGWRDBIEYUESMB-IRLDBZIGSA-N 1 2 342.446 4.348 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076450 1039126026 /nfs/dbraw/zinc/12/60/26/1039126026.db2.gz OGWRDBIEYUESMB-IRLDBZIGSA-N 1 2 342.446 4.348 20 30 EIEDLO N#Cc1cccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000552213276 1039262052 /nfs/dbraw/zinc/26/20/52/1039262052.db2.gz LOYWKFCBIUQPNG-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cc(C#N)cs3)[C@H](C)CO2)c1 ZINC000537633456 1039305627 /nfs/dbraw/zinc/30/56/27/1039305627.db2.gz PXYZOMGRTBIPCT-BEFAXECRSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cc(C#N)cs3)[C@H](C)CO2)c1 ZINC000537633456 1039305641 /nfs/dbraw/zinc/30/56/41/1039305641.db2.gz PXYZOMGRTBIPCT-BEFAXECRSA-N 1 2 326.465 4.199 20 30 EIEDLO C=CCCCCCN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425224010 1039892353 /nfs/dbraw/zinc/89/23/53/1039892353.db2.gz BTAUYFDTCICLRB-SFHVURJKSA-N 1 2 325.456 4.137 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1cccs1 ZINC000514744955 1040213444 /nfs/dbraw/zinc/21/34/44/1040213444.db2.gz QHKLKYGREUMEPO-HXUWFJFHSA-N 1 2 342.508 4.250 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1cccs1 ZINC000514744955 1040213459 /nfs/dbraw/zinc/21/34/59/1040213459.db2.gz QHKLKYGREUMEPO-HXUWFJFHSA-N 1 2 342.508 4.250 20 30 EIEDLO Cn1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2F)cc1C#N ZINC000483164345 1040752015 /nfs/dbraw/zinc/75/20/15/1040752015.db2.gz ZJDMVVNSRJSGAO-UHFFFAOYSA-N 1 2 333.410 4.238 20 30 EIEDLO Cn1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)cc1C#N ZINC000483164345 1040752029 /nfs/dbraw/zinc/75/20/29/1040752029.db2.gz ZJDMVVNSRJSGAO-UHFFFAOYSA-N 1 2 333.410 4.238 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000539836816 1040831899 /nfs/dbraw/zinc/83/18/99/1040831899.db2.gz HQZPXYVAMSZPEG-HNAYVOBHSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000539836816 1040831903 /nfs/dbraw/zinc/83/19/03/1040831903.db2.gz HQZPXYVAMSZPEG-HNAYVOBHSA-N 1 2 326.465 4.199 20 30 EIEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000462695905 1040844532 /nfs/dbraw/zinc/84/45/32/1040844532.db2.gz PSOSDEGADIXORA-CYBMUJFWSA-N 1 2 331.872 4.156 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1F ZINC000483687266 1040964103 /nfs/dbraw/zinc/96/41/03/1040964103.db2.gz BGDRZLJVVJNIRD-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1F ZINC000483687266 1040964128 /nfs/dbraw/zinc/96/41/28/1040964128.db2.gz BGDRZLJVVJNIRD-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3c(cc1C#N)CCCC3(C)C)CCC2 ZINC000428140208 1043342288 /nfs/dbraw/zinc/34/22/88/1043342288.db2.gz IEXWFQJWPKXJNI-INIZCTEOSA-N 1 2 349.482 4.062 20 30 EIEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1Br ZINC000229747560 1043367323 /nfs/dbraw/zinc/36/73/23/1043367323.db2.gz CDJYVINNBLSDKC-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1Br ZINC000229747560 1043367335 /nfs/dbraw/zinc/36/73/35/1043367335.db2.gz CDJYVINNBLSDKC-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)c(C)o1 ZINC000312333750 1043434525 /nfs/dbraw/zinc/43/45/25/1043434525.db2.gz ACNAZHIMYPLOOA-NSHDSACASA-N 1 2 333.229 4.381 20 30 EIEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC000312360409 1043440339 /nfs/dbraw/zinc/44/03/39/1043440339.db2.gz ZBJCQBVASATTPU-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC000312360409 1043440346 /nfs/dbraw/zinc/44/03/46/1043440346.db2.gz ZBJCQBVASATTPU-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO CCOc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1OCC ZINC000730147650 1043455819 /nfs/dbraw/zinc/45/58/19/1043455819.db2.gz HHEPEMLUPSHCMA-UHFFFAOYSA-N 1 2 349.434 4.290 20 30 EIEDLO Cc1c(C=NNc2cc[nH+]c3ccccc23)sc2nc(C)nc(C)c12 ZINC000730147276 1043457042 /nfs/dbraw/zinc/45/70/42/1043457042.db2.gz AKAKOZQSQFPCOX-UHFFFAOYSA-N 1 2 347.447 4.033 20 30 EIEDLO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000929822495 1043499209 /nfs/dbraw/zinc/49/92/09/1043499209.db2.gz ONQQOTQWXZQEDB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000929822495 1043499224 /nfs/dbraw/zinc/49/92/24/1043499224.db2.gz ONQQOTQWXZQEDB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1cccs1 ZINC000019540449 1043499501 /nfs/dbraw/zinc/49/95/01/1043499501.db2.gz DNBVZZSFXQUWIO-UHFFFAOYSA-N 1 2 328.481 4.300 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1cccs1 ZINC000019540449 1043499507 /nfs/dbraw/zinc/49/95/07/1043499507.db2.gz DNBVZZSFXQUWIO-UHFFFAOYSA-N 1 2 328.481 4.300 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cccs1 ZINC000019540643 1043499545 /nfs/dbraw/zinc/49/95/45/1043499545.db2.gz NAZLVCFYTWHGOB-CQSZACIVSA-N 1 2 348.899 4.267 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cccs1 ZINC000019540643 1043499551 /nfs/dbraw/zinc/49/95/51/1043499551.db2.gz NAZLVCFYTWHGOB-CQSZACIVSA-N 1 2 348.899 4.267 20 30 EIEDLO N#Cc1cccc(Oc2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2)c1 ZINC000521813353 1043988541 /nfs/dbraw/zinc/98/85/41/1043988541.db2.gz IPIFLBLRCQCSOK-UHFFFAOYSA-N 1 2 327.347 4.365 20 30 EIEDLO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cn2ccccc12 ZINC000732989714 1044064684 /nfs/dbraw/zinc/06/46/84/1044064684.db2.gz UHWCYNPYXKVKGW-IBGZPJMESA-N 1 2 337.373 4.426 20 30 EIEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cn2ccccc12 ZINC000732989714 1044064698 /nfs/dbraw/zinc/06/46/98/1044064698.db2.gz UHWCYNPYXKVKGW-IBGZPJMESA-N 1 2 337.373 4.426 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000175027263 1044342840 /nfs/dbraw/zinc/34/28/40/1044342840.db2.gz ZPHMZIVCMQGVCL-NWDGAFQWSA-N 1 2 345.805 4.029 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000499724442 1044372910 /nfs/dbraw/zinc/37/29/10/1044372910.db2.gz JBWXYYLMOYIMTD-LJQANCHMSA-N 1 2 342.508 4.346 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000499724442 1044372922 /nfs/dbraw/zinc/37/29/22/1044372922.db2.gz JBWXYYLMOYIMTD-LJQANCHMSA-N 1 2 342.508 4.346 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000914566871 1044504575 /nfs/dbraw/zinc/50/45/75/1044504575.db2.gz OQXKDXGWVAVGIS-UHFFFAOYSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000914566871 1044504588 /nfs/dbraw/zinc/50/45/88/1044504588.db2.gz OQXKDXGWVAVGIS-UHFFFAOYSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000914567139 1044505759 /nfs/dbraw/zinc/50/57/59/1044505759.db2.gz DLOATQKTCWLXBU-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)CCCC)c1=S ZINC000914567139 1044505774 /nfs/dbraw/zinc/50/57/74/1044505774.db2.gz DLOATQKTCWLXBU-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)o1 ZINC000121133199 1044694376 /nfs/dbraw/zinc/69/43/76/1044694376.db2.gz NVGDSAZESZWRSM-QGZVFWFLSA-N 1 2 326.446 4.422 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)o1 ZINC000121133199 1044694385 /nfs/dbraw/zinc/69/43/85/1044694385.db2.gz NVGDSAZESZWRSM-QGZVFWFLSA-N 1 2 326.446 4.422 20 30 EIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309358 1044796930 /nfs/dbraw/zinc/79/69/30/1044796930.db2.gz DSPSVSMDEQAQIZ-UHFFFAOYSA-N 1 2 342.801 4.017 20 30 EIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309358 1044796949 /nfs/dbraw/zinc/79/69/49/1044796949.db2.gz DSPSVSMDEQAQIZ-UHFFFAOYSA-N 1 2 342.801 4.017 20 30 EIEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000347776100 1045095004 /nfs/dbraw/zinc/09/50/04/1045095004.db2.gz JPWQUVOYCPDMAT-UHFFFAOYSA-N 1 2 336.382 4.181 20 30 EIEDLO COc1ccc2cc(C(=O)/C=C/c3c[nH+]c4ccccn34)ccc2c1 ZINC000740666300 1045207695 /nfs/dbraw/zinc/20/76/95/1045207695.db2.gz PSMWSJBYSKSWSH-CSKARUKUSA-N 1 2 328.371 4.392 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1sccc1Br ZINC000740765196 1045220222 /nfs/dbraw/zinc/22/02/22/1045220222.db2.gz RWAQDVSNNSUCOM-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@@H+]1CCCC[C@H]1C ZINC000915271061 1045227615 /nfs/dbraw/zinc/22/76/15/1045227615.db2.gz IQECHGQCXOEBSM-WGLYJRSMSA-N 1 2 329.271 4.381 20 30 EIEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@H+]1CCCC[C@H]1C ZINC000915271061 1045227627 /nfs/dbraw/zinc/22/76/27/1045227627.db2.gz IQECHGQCXOEBSM-WGLYJRSMSA-N 1 2 329.271 4.381 20 30 EIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000611090269 1045252576 /nfs/dbraw/zinc/25/25/76/1045252576.db2.gz QYPODCWELXGEKF-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611388141 1045295389 /nfs/dbraw/zinc/29/53/89/1045295389.db2.gz XEKOCGDKNKVARU-LSDHHAIUSA-N 1 2 332.407 4.329 20 30 EIEDLO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611386570 1045295495 /nfs/dbraw/zinc/29/54/95/1045295495.db2.gz NRWJJWUVGWHQNW-CQSZACIVSA-N 1 2 333.391 4.073 20 30 EIEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ncc(Br)s1 ZINC000272329374 1045413363 /nfs/dbraw/zinc/41/33/63/1045413363.db2.gz XPQZZKCKXVLWPK-SNVBAGLBSA-N 1 2 348.269 4.117 20 30 EIEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)c(Cl)cc1N ZINC001235662850 1045491956 /nfs/dbraw/zinc/49/19/56/1045491956.db2.gz AAABXDUPPILMQO-UHFFFAOYSA-N 1 2 344.684 4.200 20 30 EIEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)c(Cl)cc1N ZINC001235662850 1045491958 /nfs/dbraw/zinc/49/19/58/1045491958.db2.gz AAABXDUPPILMQO-UHFFFAOYSA-N 1 2 344.684 4.200 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767753569 1045631951 /nfs/dbraw/zinc/63/19/51/1045631951.db2.gz FNKOXQAFJXLUQG-MSOLQXFVSA-N 1 2 348.535 4.306 20 30 EIEDLO CCCCCCCCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767842957 1045655279 /nfs/dbraw/zinc/65/52/79/1045655279.db2.gz KHSONUJWBDUNHY-SFHVURJKSA-N 1 2 348.535 4.450 20 30 EIEDLO CC[N@@H+](Cc1occc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000768513998 1045812964 /nfs/dbraw/zinc/81/29/64/1045812964.db2.gz FIWVYDUGXFYKAS-LBPRGKRZSA-N 1 2 333.229 4.497 20 30 EIEDLO CC[N@H+](Cc1occc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000768513998 1045812954 /nfs/dbraw/zinc/81/29/54/1045812954.db2.gz FIWVYDUGXFYKAS-LBPRGKRZSA-N 1 2 333.229 4.497 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccs1 ZINC000763331879 1045823958 /nfs/dbraw/zinc/82/39/58/1045823958.db2.gz JUSOCYUJTMYEGY-CQSZACIVSA-N 1 2 346.525 4.018 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1cccs1 ZINC000763331879 1045823961 /nfs/dbraw/zinc/82/39/61/1045823961.db2.gz JUSOCYUJTMYEGY-CQSZACIVSA-N 1 2 346.525 4.018 20 30 EIEDLO Cc1cc2ccccc2nc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792635655 1046011133 /nfs/dbraw/zinc/01/11/33/1046011133.db2.gz UXPCTBPBQCIXRX-UHFFFAOYSA-N 1 2 330.435 4.347 20 30 EIEDLO COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c2ccccc12 ZINC000769606234 1046030120 /nfs/dbraw/zinc/03/01/20/1046030120.db2.gz COUVYFJXTRMCCC-LUAWRHEFSA-N 1 2 328.371 4.392 20 30 EIEDLO O=C1c2cc(Cl)cc(Cl)c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000769606006 1046031033 /nfs/dbraw/zinc/03/10/33/1046031033.db2.gz AAJFMEQYPRNIKK-UXBLZVDNSA-N 1 2 345.185 4.300 20 30 EIEDLO CCOc1cccc2cc(C(=O)/C=C/c3cccc4[nH+]ccn43)oc21 ZINC000769606208 1046031078 /nfs/dbraw/zinc/03/10/78/1046031078.db2.gz CFPZGILOWDLNGW-MDZDMXLPSA-N 1 2 332.359 4.375 20 30 EIEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769608598 1046032882 /nfs/dbraw/zinc/03/28/82/1046032882.db2.gz DOMRVWSKCQCJRQ-FMIVXFBMSA-N 1 2 344.292 4.055 20 30 EIEDLO O=C1c2c([nH]c3ccc(F)cc32)CC/C1=C\c1cccc2[nH+]ccn21 ZINC000769608992 1046034027 /nfs/dbraw/zinc/03/40/27/1046034027.db2.gz VZINGWVOSINJDN-ZRDIBKRKSA-N 1 2 331.350 4.167 20 30 EIEDLO CC1(C)Cc2cc(CNc3[nH+]cccc3OCCCC#N)ccc2O1 ZINC000162237341 1046158021 /nfs/dbraw/zinc/15/80/21/1046158021.db2.gz AXNPCRDTQJZTFE-UHFFFAOYSA-N 1 2 337.423 4.090 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Br)s3)n2c1 ZINC000771836191 1046496253 /nfs/dbraw/zinc/49/62/53/1046496253.db2.gz AJAJFVXUUYAGJP-ARJAWSKDSA-N 1 2 347.237 4.363 20 30 EIEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cnn1-c1ccccc1 ZINC000771847229 1046498408 /nfs/dbraw/zinc/49/84/08/1046498408.db2.gz GARNEELDOKQVON-KTKRTIGZSA-N 1 2 342.402 4.033 20 30 EIEDLO COc1ccc(Cl)cc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000771850735 1046513062 /nfs/dbraw/zinc/51/30/62/1046513062.db2.gz PCBSOWNYZTWJOP-WAYWQWQTSA-N 1 2 326.783 4.201 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3sccc3Br)n2c1 ZINC000771860399 1046515681 /nfs/dbraw/zinc/51/56/81/1046515681.db2.gz QRQFGADIYAPIGN-ARJAWSKDSA-N 1 2 347.237 4.363 20 30 EIEDLO CC[C@H]1C[C@@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440852 1046668363 /nfs/dbraw/zinc/66/83/63/1046668363.db2.gz ANMZGVGBEZFMLN-JXFKEZNVSA-N 1 2 335.407 4.190 20 30 EIEDLO C#CC[N@@H+](Cn1ccn(C(C)C)c1=S)[C@@H]1CCc2ccccc21 ZINC000917456936 1046897140 /nfs/dbraw/zinc/89/71/40/1046897140.db2.gz ICGIDPXVYYHSKO-GOSISDBHSA-N 1 2 325.481 4.180 20 30 EIEDLO C#CC[N@H+](Cn1ccn(C(C)C)c1=S)[C@@H]1CCc2ccccc21 ZINC000917456936 1046897145 /nfs/dbraw/zinc/89/71/45/1046897145.db2.gz ICGIDPXVYYHSKO-GOSISDBHSA-N 1 2 325.481 4.180 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746638407 1046913049 /nfs/dbraw/zinc/91/30/49/1046913049.db2.gz WLVCSQLAOVRISM-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746638407 1046913061 /nfs/dbraw/zinc/91/30/61/1046913061.db2.gz WLVCSQLAOVRISM-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)CC1(C#N)CC1)CCO2 ZINC000537250294 1047060431 /nfs/dbraw/zinc/06/04/31/1047060431.db2.gz DASZOKBOMXTZQW-FQEVSTJZSA-N 1 2 348.446 4.325 20 30 EIEDLO COc1ccc2c(c1)[C@@H]([N@@H+](Cc1ccccc1)CC1(C#N)CC1)CCO2 ZINC000537250294 1047060445 /nfs/dbraw/zinc/06/04/45/1047060445.db2.gz DASZOKBOMXTZQW-FQEVSTJZSA-N 1 2 348.446 4.325 20 30 EIEDLO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806145624 1047170532 /nfs/dbraw/zinc/17/05/32/1047170532.db2.gz DULFIGLAAIHQJS-KRWDZBQOSA-N 1 2 329.827 4.299 20 30 EIEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c(Cl)c1 ZINC000788357569 1047174259 /nfs/dbraw/zinc/17/42/59/1047174259.db2.gz AKVXBLZZYVUGOW-HYXAFXHYSA-N 1 2 342.185 4.409 20 30 EIEDLO CC[C@@H](C)N[NH+]=Cc1sc(Nc2ccccc2OC)nc1Cl ZINC000790183078 1047538123 /nfs/dbraw/zinc/53/81/23/1047538123.db2.gz NUPBQNUJZRYPIU-SNVBAGLBSA-N 1 2 338.864 4.271 20 30 EIEDLO COc1ccc(-c2cnc(C[NH2+]C3(c4cccc(C#N)c4)CC3)o2)cc1 ZINC000556511203 1047801522 /nfs/dbraw/zinc/80/15/22/1047801522.db2.gz FCSUQRFUVAUGLH-UHFFFAOYSA-N 1 2 345.402 4.001 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3coc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000556511234 1047801691 /nfs/dbraw/zinc/80/16/91/1047801691.db2.gz SMWWZUCYGLXERT-UHFFFAOYSA-N 1 2 333.366 4.131 20 30 EIEDLO COc1ccc2c(c1)C[N@@H+](Cc1c(Cl)cccc1C#N)CCC2 ZINC001143732774 1048169932 /nfs/dbraw/zinc/16/99/32/1048169932.db2.gz ULTZUQKOJIBDGZ-UHFFFAOYSA-N 1 2 326.827 4.169 20 30 EIEDLO COc1ccc2c(c1)C[N@H+](Cc1c(Cl)cccc1C#N)CCC2 ZINC001143732774 1048169940 /nfs/dbraw/zinc/16/99/40/1048169940.db2.gz ULTZUQKOJIBDGZ-UHFFFAOYSA-N 1 2 326.827 4.169 20 30 EIEDLO CCC(=[NH+]Nc1ccc(F)cc1Br)c1cccc(N)c1 ZINC000814791221 1048171442 /nfs/dbraw/zinc/17/14/42/1048171442.db2.gz CFOXUPMEMCLFOI-UHFFFAOYSA-N 1 2 336.208 4.397 20 30 EIEDLO Cc1c(F)cc(F)cc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001143776365 1048196585 /nfs/dbraw/zinc/19/65/85/1048196585.db2.gz UNSWBIGAZAJZFQ-UHFFFAOYSA-N 1 2 344.380 4.470 20 30 EIEDLO CCC(=[NH+]Nc1ccc(Br)c(F)c1)c1cccc(N)c1 ZINC000814905398 1048228022 /nfs/dbraw/zinc/22/80/22/1048228022.db2.gz WNMWCKSXPBINNP-UHFFFAOYSA-N 1 2 336.208 4.397 20 30 EIEDLO CC(N=Nc1ccc(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814945215 1048263603 /nfs/dbraw/zinc/26/36/03/1048263603.db2.gz QTBQEDXERPQKGR-UHFFFAOYSA-N 1 2 330.313 4.126 20 30 EIEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(F)c1F ZINC001143902704 1048290305 /nfs/dbraw/zinc/29/03/05/1048290305.db2.gz JSELANUARPGEJE-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462804 1048351748 /nfs/dbraw/zinc/35/17/48/1048351748.db2.gz PJWVYVAKOKCEKE-UHFFFAOYSA-N 1 2 334.316 4.495 20 30 EIEDLO C=CCC(C)(C)C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001144076844 1048408068 /nfs/dbraw/zinc/40/80/68/1048408068.db2.gz PZDREJLJCKDILU-UHFFFAOYSA-N 1 2 348.490 4.179 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(Cl)cc1F ZINC000809699060 1048462629 /nfs/dbraw/zinc/46/26/29/1048462629.db2.gz KFWUGOHUIIDGGG-QGZVFWFLSA-N 1 2 347.817 4.351 20 30 EIEDLO CCCCCCCC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001135665992 1048853572 /nfs/dbraw/zinc/85/35/72/1048853572.db2.gz PEBKUFLGNVNZRE-UHFFFAOYSA-N 1 2 346.515 4.008 20 30 EIEDLO N#Cc1c(F)cccc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000609513087 1049126723 /nfs/dbraw/zinc/12/67/23/1049126723.db2.gz SKYRMLLQTRRHFP-ZDUSSCGKSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1c(F)cccc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000609513087 1049126741 /nfs/dbraw/zinc/12/67/41/1049126741.db2.gz SKYRMLLQTRRHFP-ZDUSSCGKSA-N 1 2 345.368 4.052 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1ccc(Cl)cc1 ZINC000811516251 1049128368 /nfs/dbraw/zinc/12/83/68/1049128368.db2.gz HVTGOODBUNPPNR-BFUOFWGJSA-N 1 2 341.838 4.136 20 30 EIEDLO C=CCCC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC001132945803 1049208706 /nfs/dbraw/zinc/20/87/06/1049208706.db2.gz CQJBVSUGBWEZEW-FQEVSTJZSA-N 1 2 347.462 4.399 20 30 EIEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(Cl)cc1 ZINC000811861353 1049302661 /nfs/dbraw/zinc/30/26/61/1049302661.db2.gz CLWXQXOLYWEZSE-OAHLLOKOSA-N 1 2 339.830 4.021 20 30 EIEDLO C=CCCCCCCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000812495974 1049496037 /nfs/dbraw/zinc/49/60/37/1049496037.db2.gz ZTYGOKMXEROSLJ-ROUUACIJSA-N 1 2 332.492 4.002 20 30 EIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001171372605 1049535376 /nfs/dbraw/zinc/53/53/76/1049535376.db2.gz LCDKQXHQHYHRPZ-HNNXBMFYSA-N 1 2 340.423 4.039 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)c(F)c1 ZINC000237712205 1049719738 /nfs/dbraw/zinc/71/97/38/1049719738.db2.gz NWZKTKOBNXDBSK-UHFFFAOYSA-N 1 2 329.425 4.172 20 30 EIEDLO FC(F)(F)Oc1ccc(-c2cc[nH+]c(NCCCS)c2)cc1 ZINC001170999955 1049814959 /nfs/dbraw/zinc/81/49/59/1049814959.db2.gz SZRUQNYYDROXND-UHFFFAOYSA-N 1 2 328.359 4.379 20 30 EIEDLO CC(C)OC(=O)CC[C@@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172772014 1049976280 /nfs/dbraw/zinc/97/62/80/1049976280.db2.gz AVEZKGKWTYWWHU-OAHLLOKOSA-N 1 2 336.863 4.176 20 30 EIEDLO CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172772014 1049976281 /nfs/dbraw/zinc/97/62/81/1049976281.db2.gz AVEZKGKWTYWWHU-OAHLLOKOSA-N 1 2 336.863 4.176 20 30 EIEDLO C#CCOc1cccc(Cl)c1CNc1ccc2c(c1)CCC[N@H+]2C ZINC001178114226 1050377403 /nfs/dbraw/zinc/37/74/03/1050377403.db2.gz GBCKQXIGSYCTMJ-UHFFFAOYSA-N 1 2 340.854 4.347 20 30 EIEDLO C#CCOc1cccc(Cl)c1CNc1ccc2c(c1)CCC[N@@H+]2C ZINC001178114226 1050377409 /nfs/dbraw/zinc/37/74/09/1050377409.db2.gz GBCKQXIGSYCTMJ-UHFFFAOYSA-N 1 2 340.854 4.347 20 30 EIEDLO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000618584739 1050421032 /nfs/dbraw/zinc/42/10/32/1050421032.db2.gz KZTKNZYCBUTJKQ-SFHVURJKSA-N 1 2 345.450 4.268 20 30 EIEDLO O=C1C=C2C[N@H+](C3CCC4(CCc5ccccc54)CC3)CC[C@H]2S1 ZINC001173688495 1050541468 /nfs/dbraw/zinc/54/14/68/1050541468.db2.gz VKTAHBKUAPRQQS-MOMVYJMYSA-N 1 2 339.504 4.087 20 30 EIEDLO O=C1C=C2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)CC[C@H]2S1 ZINC001173688495 1050541478 /nfs/dbraw/zinc/54/14/78/1050541478.db2.gz VKTAHBKUAPRQQS-MOMVYJMYSA-N 1 2 339.504 4.087 20 30 EIEDLO CC(C)[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC001180489324 1051005068 /nfs/dbraw/zinc/00/50/68/1051005068.db2.gz YBDIGKCMGBLUCT-GOTSBHOMSA-N 1 2 347.506 4.136 20 30 EIEDLO CC(C)[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC001180489324 1051005084 /nfs/dbraw/zinc/00/50/84/1051005084.db2.gz YBDIGKCMGBLUCT-GOTSBHOMSA-N 1 2 347.506 4.136 20 30 EIEDLO CC(C)[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC001180489325 1051006076 /nfs/dbraw/zinc/00/60/76/1051006076.db2.gz YBDIGKCMGBLUCT-PKTZIBPZSA-N 1 2 347.506 4.136 20 30 EIEDLO CC(C)[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC001180489325 1051006098 /nfs/dbraw/zinc/00/60/98/1051006098.db2.gz YBDIGKCMGBLUCT-PKTZIBPZSA-N 1 2 347.506 4.136 20 30 EIEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350893 1051209185 /nfs/dbraw/zinc/20/91/85/1051209185.db2.gz VUWSREAUEYUANI-SCZZXKLOSA-N 1 2 345.258 4.497 20 30 EIEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350893 1051209200 /nfs/dbraw/zinc/20/92/00/1051209200.db2.gz VUWSREAUEYUANI-SCZZXKLOSA-N 1 2 345.258 4.497 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000775399657 1051221995 /nfs/dbraw/zinc/22/19/95/1051221995.db2.gz FTIMGUKLNPPJPV-KRWDZBQOSA-N 1 2 337.810 4.244 20 30 EIEDLO C#C[C@H](CC)[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001181578174 1051257264 /nfs/dbraw/zinc/25/72/64/1051257264.db2.gz YBQFIFHLGPFRDE-MRVPVSSYSA-N 1 2 338.142 4.108 20 30 EIEDLO CCCCCCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001191068952 1051339337 /nfs/dbraw/zinc/33/93/37/1051339337.db2.gz BOAPVCSTFJKYRY-UHFFFAOYSA-N 1 2 328.460 4.413 20 30 EIEDLO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccco2)cc1 ZINC001182398346 1051529965 /nfs/dbraw/zinc/52/99/65/1051529965.db2.gz RBLJPCBMZYGBMM-FQEVSTJZSA-N 1 2 336.366 4.178 20 30 EIEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351392 1051543910 /nfs/dbraw/zinc/54/39/10/1051543910.db2.gz KKFZZLADCMEOJW-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1N1CCCCC1 ZINC001175351465 1051544976 /nfs/dbraw/zinc/54/49/76/1051544976.db2.gz MVOCERBVQQXEAP-UHFFFAOYSA-N 1 2 347.466 4.287 20 30 EIEDLO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001182594719 1051649388 /nfs/dbraw/zinc/64/93/88/1051649388.db2.gz LMRJTOKOGWYUHU-UHFFFAOYSA-N 1 2 334.419 4.029 20 30 EIEDLO CC(C)(C)OC(=O)c1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001182594719 1051649396 /nfs/dbraw/zinc/64/93/96/1051649396.db2.gz LMRJTOKOGWYUHU-UHFFFAOYSA-N 1 2 334.419 4.029 20 30 EIEDLO Cc1cc(C#N)cc(Cl)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712487 1051731487 /nfs/dbraw/zinc/73/14/87/1051731487.db2.gz BODVAAXYZIIHFF-UHFFFAOYSA-N 1 2 326.709 4.260 20 30 EIEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775570162 1051865102 /nfs/dbraw/zinc/86/51/02/1051865102.db2.gz KREBTJGXYHLSJI-UHFFFAOYSA-N 1 2 344.462 4.305 20 30 EIEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775570162 1051865103 /nfs/dbraw/zinc/86/51/03/1051865103.db2.gz KREBTJGXYHLSJI-UHFFFAOYSA-N 1 2 344.462 4.305 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c(OC(F)F)c1 ZINC001193827191 1052006821 /nfs/dbraw/zinc/00/68/21/1052006821.db2.gz LEIYHIJKCNIIHJ-IBGZPJMESA-N 1 2 346.352 4.230 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(OC(F)F)c1 ZINC001193827191 1052006832 /nfs/dbraw/zinc/00/68/32/1052006832.db2.gz LEIYHIJKCNIIHJ-IBGZPJMESA-N 1 2 346.352 4.230 20 30 EIEDLO N#Cc1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)c2sccc21 ZINC001184819169 1052111345 /nfs/dbraw/zinc/11/13/45/1052111345.db2.gz AWJPISATDREGLE-UHFFFAOYSA-N 1 2 345.431 4.025 20 30 EIEDLO N#Cc1ccc(-c2ccccc2Nc2ccc[nH+]c2N2CCCC2)nc1 ZINC001185043353 1052161033 /nfs/dbraw/zinc/16/10/33/1052161033.db2.gz LYOAZADEQVPPPU-UHFFFAOYSA-N 1 2 341.418 4.359 20 30 EIEDLO N#Cc1cnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC001185180649 1052187689 /nfs/dbraw/zinc/18/76/89/1052187689.db2.gz PZKHNORZIZEQOF-UHFFFAOYSA-N 1 2 337.383 4.207 20 30 EIEDLO C=CCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000072564078 1052434266 /nfs/dbraw/zinc/43/42/66/1052434266.db2.gz YBSZUMVZMORCID-OAHLLOKOSA-N 1 2 328.485 4.092 20 30 EIEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cscn2)cc1OC ZINC000623563630 1052680982 /nfs/dbraw/zinc/68/09/82/1052680982.db2.gz FEICHCJYGACYJS-NSHDSACASA-N 1 2 338.860 4.221 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1C1CC1 ZINC000073349938 1052871975 /nfs/dbraw/zinc/87/19/75/1052871975.db2.gz DXESTTWGDZAERJ-QGZVFWFLSA-N 1 2 340.496 4.272 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1C1CC1 ZINC000073349938 1052871978 /nfs/dbraw/zinc/87/19/78/1052871978.db2.gz DXESTTWGDZAERJ-QGZVFWFLSA-N 1 2 340.496 4.272 20 30 EIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCCc2cc(C#N)ccc21 ZINC001194691655 1053073746 /nfs/dbraw/zinc/07/37/46/1053073746.db2.gz KFFFTLSEYGIEHC-UHFFFAOYSA-N 1 2 328.419 4.005 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794683930 1053263639 /nfs/dbraw/zinc/26/36/39/1053263639.db2.gz HAVTZKRZFAYFAI-CQSZACIVSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794683930 1053263660 /nfs/dbraw/zinc/26/36/60/1053263660.db2.gz HAVTZKRZFAYFAI-CQSZACIVSA-N 1 2 346.500 4.328 20 30 EIEDLO Cc1ccccc1C(F)(F)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000850561223 1053318168 /nfs/dbraw/zinc/31/81/68/1053318168.db2.gz LSBQTQULGCLZHW-OAHLLOKOSA-N 1 2 330.378 4.340 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794701875 1053321636 /nfs/dbraw/zinc/32/16/36/1053321636.db2.gz XUGNZPPQLIRKMH-FPLPWBNLSA-N 1 2 349.525 4.163 20 30 EIEDLO CCCCc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698196 1053325238 /nfs/dbraw/zinc/32/52/38/1053325238.db2.gz OJZGJJAXBNXUKJ-QXMHVHEDSA-N 1 2 328.481 4.443 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764930445 1053383379 /nfs/dbraw/zinc/38/33/79/1053383379.db2.gz MSIXICHZXIIKHS-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764930445 1053383392 /nfs/dbraw/zinc/38/33/92/1053383392.db2.gz MSIXICHZXIIKHS-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000925487064 1053388428 /nfs/dbraw/zinc/38/84/28/1053388428.db2.gz BGFJASAWPOMABX-OAHLLOKOSA-N 1 2 334.341 4.021 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000764971838 1053395556 /nfs/dbraw/zinc/39/55/56/1053395556.db2.gz LUCNVXOXWZBBNC-QGZVFWFLSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000764971838 1053395573 /nfs/dbraw/zinc/39/55/73/1053395573.db2.gz LUCNVXOXWZBBNC-QGZVFWFLSA-N 1 2 342.512 4.407 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000852330162 1053571042 /nfs/dbraw/zinc/57/10/42/1053571042.db2.gz AXQFGYKYRBJAJL-QUCCMNQESA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000852330162 1053571057 /nfs/dbraw/zinc/57/10/57/1053571057.db2.gz AXQFGYKYRBJAJL-QUCCMNQESA-N 1 2 337.854 4.280 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(OC(F)F)c1 ZINC000866233447 1053658461 /nfs/dbraw/zinc/65/84/61/1053658461.db2.gz SMXFBBGJRNVYLZ-VXGBXAGGSA-N 1 2 332.350 4.277 20 30 EIEDLO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1O ZINC000866267906 1053669522 /nfs/dbraw/zinc/66/95/22/1053669522.db2.gz ILZXEKMPVPKYFS-FOIQADDNSA-N 1 2 336.435 4.082 20 30 EIEDLO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280954 1053676666 /nfs/dbraw/zinc/67/66/66/1053676666.db2.gz GNVOLMATHIRSQA-GFCCVEGCSA-N 1 2 330.428 4.117 20 30 EIEDLO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866280955 1053677071 /nfs/dbraw/zinc/67/70/71/1053677071.db2.gz GNVOLMATHIRSQA-LBPRGKRZSA-N 1 2 330.428 4.117 20 30 EIEDLO CSc1nnc(SC)n1[NH+]=C[C@H](CC(C)C)c1ccccc1 ZINC000872417736 1054444932 /nfs/dbraw/zinc/44/49/32/1054444932.db2.gz MBMZHHOASDLKLW-AWEZNQCLSA-N 1 2 334.514 4.386 20 30 EIEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000347518789 1054492214 /nfs/dbraw/zinc/49/22/14/1054492214.db2.gz NHTQOEMTRBOTRS-KRWDZBQOSA-N 1 2 341.480 4.174 20 30 EIEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000347518789 1054492222 /nfs/dbraw/zinc/49/22/22/1054492222.db2.gz NHTQOEMTRBOTRS-KRWDZBQOSA-N 1 2 341.480 4.174 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1 ZINC000876522853 1054926822 /nfs/dbraw/zinc/92/68/22/1054926822.db2.gz DXVDXTCQOWSWAM-QGZVFWFLSA-N 1 2 326.831 4.119 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c1 ZINC000876522853 1054926836 /nfs/dbraw/zinc/92/68/36/1054926836.db2.gz DXVDXTCQOWSWAM-QGZVFWFLSA-N 1 2 326.831 4.119 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(F)c(F)c1 ZINC001202066208 1055007180 /nfs/dbraw/zinc/00/71/80/1055007180.db2.gz PGMFRJOAKBUKAU-QGZVFWFLSA-N 1 2 330.334 4.219 20 30 EIEDLO N#CCOc1ccc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001137119432 1055044670 /nfs/dbraw/zinc/04/46/70/1055044670.db2.gz NRKACZRIROZFLZ-UHFFFAOYSA-N 1 2 346.352 4.166 20 30 EIEDLO N#CCOc1ccc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001137119432 1055044683 /nfs/dbraw/zinc/04/46/83/1055044683.db2.gz NRKACZRIROZFLZ-UHFFFAOYSA-N 1 2 346.352 4.166 20 30 EIEDLO C=CC[C@H]1N(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1(C)C ZINC001202395478 1055170147 /nfs/dbraw/zinc/17/01/47/1055170147.db2.gz KQQRRCHQXUQJSA-MRXNPFEDSA-N 1 2 330.476 4.055 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815527 1055324498 /nfs/dbraw/zinc/32/44/98/1055324498.db2.gz OMIIEHXTTHOWDZ-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815527 1055324514 /nfs/dbraw/zinc/32/45/14/1055324514.db2.gz OMIIEHXTTHOWDZ-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000153561167 1055533529 /nfs/dbraw/zinc/53/35/29/1055533529.db2.gz LPDXWYOJLXLQLT-AWEZNQCLSA-N 1 2 341.842 4.061 20 30 EIEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000153561167 1055533540 /nfs/dbraw/zinc/53/35/40/1055533540.db2.gz LPDXWYOJLXLQLT-AWEZNQCLSA-N 1 2 341.842 4.061 20 30 EIEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000301158242 1055899680 /nfs/dbraw/zinc/89/96/80/1055899680.db2.gz CVQQLWUCTPECFP-UHFFFAOYSA-N 1 2 346.356 4.053 20 30 EIEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)nc2ccc(Cl)cc12 ZINC000301199126 1055906355 /nfs/dbraw/zinc/90/63/55/1055906355.db2.gz LUFOZBJLJYUABV-UHFFFAOYSA-N 1 2 347.809 4.062 20 30 EIEDLO N#Cc1cc(NCCCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000301797159 1055985796 /nfs/dbraw/zinc/98/57/96/1055985796.db2.gz AOVWZCCJDTUMMH-UHFFFAOYSA-N 1 2 334.345 4.276 20 30 EIEDLO C=CCCCCC[N@@H+](C)Cn1c2ccc(C(=O)C(C)C)cc2oc1=O ZINC000743369974 1058953542 /nfs/dbraw/zinc/95/35/42/1058953542.db2.gz KGGHMMMJTBFXGQ-UHFFFAOYSA-N 1 2 344.455 4.069 20 30 EIEDLO C=CCCCCC[N@H+](C)Cn1c2ccc(C(=O)C(C)C)cc2oc1=O ZINC000743369974 1058953575 /nfs/dbraw/zinc/95/35/75/1058953575.db2.gz KGGHMMMJTBFXGQ-UHFFFAOYSA-N 1 2 344.455 4.069 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000744437371 1059504501 /nfs/dbraw/zinc/50/45/01/1059504501.db2.gz QLQGIQFTQOCPTD-OAHLLOKOSA-N 1 2 346.500 4.186 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000744437371 1059504527 /nfs/dbraw/zinc/50/45/27/1059504527.db2.gz QLQGIQFTQOCPTD-OAHLLOKOSA-N 1 2 346.500 4.186 20 30 EIEDLO COc1ccc(Cl)cc1CNc1[nH+]cccc1OCCCC#N ZINC000767293847 1061182351 /nfs/dbraw/zinc/18/23/51/1061182351.db2.gz NVAZYGFYSATQLJ-UHFFFAOYSA-N 1 2 331.803 4.038 20 30 EIEDLO C=C(C)[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(F)c(F)c1 ZINC000454813762 1032501616 /nfs/dbraw/zinc/50/16/16/1032501616.db2.gz OBCIMMPDGGDBEZ-GOSISDBHSA-N 1 2 345.393 4.093 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270017 1032578187 /nfs/dbraw/zinc/57/81/87/1032578187.db2.gz ZAOVHNQISOJRQN-GFCCVEGCSA-N 1 2 344.871 4.308 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270017 1032578195 /nfs/dbraw/zinc/57/81/95/1032578195.db2.gz ZAOVHNQISOJRQN-GFCCVEGCSA-N 1 2 344.871 4.308 20 30 EIEDLO CC(C)c1ccc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026326587 1032674609 /nfs/dbraw/zinc/67/46/09/1032674609.db2.gz ZINHTRWSGRRODH-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO CC(C)c1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026326587 1032674616 /nfs/dbraw/zinc/67/46/16/1032674616.db2.gz ZINHTRWSGRRODH-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000512420852 1032734123 /nfs/dbraw/zinc/73/41/23/1032734123.db2.gz NTGWVRAGSBWIKQ-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000512420852 1032734138 /nfs/dbraw/zinc/73/41/38/1032734138.db2.gz NTGWVRAGSBWIKQ-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000728915813 1032860080 /nfs/dbraw/zinc/86/00/80/1032860080.db2.gz YJVLVDQTTCJDCG-LQOIVRHRSA-N 1 2 349.478 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000728915813 1032860083 /nfs/dbraw/zinc/86/00/83/1032860083.db2.gz YJVLVDQTTCJDCG-LQOIVRHRSA-N 1 2 349.478 4.032 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2n1C(F)F ZINC000547747505 1019998518 /nfs/dbraw/zinc/99/85/18/1019998518.db2.gz LTDBEDQCDDJNLN-LLVKDONJSA-N 1 2 344.340 4.293 20 30 EIEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(Cl)cc1C#N)CCC2 ZINC000187252616 1020211066 /nfs/dbraw/zinc/21/10/66/1020211066.db2.gz XTHWLJYMBFYSLG-INIZCTEOSA-N 1 2 331.872 4.486 20 30 EIEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(Cl)cc1C#N)CCC2 ZINC000187252616 1020211076 /nfs/dbraw/zinc/21/10/76/1020211076.db2.gz XTHWLJYMBFYSLG-INIZCTEOSA-N 1 2 331.872 4.486 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000175451841 1020313594 /nfs/dbraw/zinc/31/35/94/1020313594.db2.gz OPWRQPNYIKQKET-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000175451841 1020313604 /nfs/dbraw/zinc/31/36/04/1020313604.db2.gz OPWRQPNYIKQKET-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO C=CCCCCCC[N@@H+]1CCc2nc(Br)sc2C1 ZINC001209436177 1020334686 /nfs/dbraw/zinc/33/46/86/1020334686.db2.gz OGJZSUGIKUBLEQ-UHFFFAOYSA-N 1 2 329.307 4.400 20 30 EIEDLO C=CCCCCCC[N@H+]1CCc2nc(Br)sc2C1 ZINC001209436177 1020334692 /nfs/dbraw/zinc/33/46/92/1020334692.db2.gz OGJZSUGIKUBLEQ-UHFFFAOYSA-N 1 2 329.307 4.400 20 30 EIEDLO N#Cc1ccc(Oc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)cc1 ZINC000511427563 1021716516 /nfs/dbraw/zinc/71/65/16/1021716516.db2.gz SUGDPALRCBBJNB-UHFFFAOYSA-N 1 2 327.347 4.365 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000378365800 1022754694 /nfs/dbraw/zinc/75/46/94/1022754694.db2.gz XPDQRBXKOPJTHW-MRXNPFEDSA-N 1 2 327.453 4.059 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000378365800 1022754705 /nfs/dbraw/zinc/75/47/05/1022754705.db2.gz XPDQRBXKOPJTHW-MRXNPFEDSA-N 1 2 327.453 4.059 20 30 EIEDLO N#CC1(c2ccccn2)CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000376468364 1022775788 /nfs/dbraw/zinc/77/57/88/1022775788.db2.gz UDZKOQARMOGGTC-UHFFFAOYSA-N 1 2 348.837 4.345 20 30 EIEDLO COc1cccc([C@@H](C)[NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)c1 ZINC000378435099 1022817023 /nfs/dbraw/zinc/81/70/23/1022817023.db2.gz MJBDOJHYAZKISP-CQSZACIVSA-N 1 2 333.391 4.073 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728748652 1022825692 /nfs/dbraw/zinc/82/56/92/1022825692.db2.gz XMLKELFRFVJOBH-ZWKOTPCHSA-N 1 2 334.508 4.226 20 30 EIEDLO C[C@H](Nc1cc[nH+]c(OCc2ccccn2)c1)c1cccc(C#N)c1 ZINC001167708754 1023042646 /nfs/dbraw/zinc/04/26/46/1023042646.db2.gz FEMYNKNMGWOLJM-HNNXBMFYSA-N 1 2 330.391 4.100 20 30 EIEDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000376812603 1023318991 /nfs/dbraw/zinc/31/89/91/1023318991.db2.gz YSVNSCVFSJDLGW-GOSISDBHSA-N 1 2 332.407 4.191 20 30 EIEDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000376812603 1023318998 /nfs/dbraw/zinc/31/89/98/1023318998.db2.gz YSVNSCVFSJDLGW-GOSISDBHSA-N 1 2 332.407 4.191 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(-c2ccccc2C)n1 ZINC000472771850 1023548326 /nfs/dbraw/zinc/54/83/26/1023548326.db2.gz NKSBSKFQJNGQEO-UHFFFAOYSA-N 1 2 333.435 4.276 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(-c2ccccc2C)n1 ZINC000472771850 1023548337 /nfs/dbraw/zinc/54/83/37/1023548337.db2.gz NKSBSKFQJNGQEO-UHFFFAOYSA-N 1 2 333.435 4.276 20 30 EIEDLO N#Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1 ZINC000891770414 1023967044 /nfs/dbraw/zinc/96/70/44/1023967044.db2.gz JJZNGGOTKZAFJL-NXEZZACHSA-N 1 2 342.308 4.182 20 30 EIEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000651649400 1024088818 /nfs/dbraw/zinc/08/88/18/1024088818.db2.gz DMSHQHRRQZLOMU-QWRGUYRKSA-N 1 2 345.258 4.007 20 30 EIEDLO C=CCc1cccc(C(C)C)c1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651874234 1024134313 /nfs/dbraw/zinc/13/43/13/1024134313.db2.gz QHYVCAJWKGDTKM-UHFFFAOYSA-N 1 2 337.467 4.253 20 30 EIEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2c2nccn2CC)c1 ZINC000430878056 1024164460 /nfs/dbraw/zinc/16/44/60/1024164460.db2.gz GRJGRMKVSIZLKX-IBGZPJMESA-N 1 2 325.456 4.195 20 30 EIEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2nccn2CC)c1 ZINC000430878056 1024164487 /nfs/dbraw/zinc/16/44/87/1024164487.db2.gz GRJGRMKVSIZLKX-IBGZPJMESA-N 1 2 325.456 4.195 20 30 EIEDLO COc1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1C#N ZINC000473122173 1024291139 /nfs/dbraw/zinc/29/11/39/1024291139.db2.gz LFEFXJCVFLMQKU-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO COc1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1C#N ZINC000473122173 1024291171 /nfs/dbraw/zinc/29/11/71/1024291171.db2.gz LFEFXJCVFLMQKU-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(-c2cccnc2)c1 ZINC000162230629 1025114815 /nfs/dbraw/zinc/11/48/15/1025114815.db2.gz IFLIXXOGMGTYHM-UHFFFAOYSA-N 1 2 344.418 4.438 20 30 EIEDLO N#Cc1c(Br)cccc1NCCCCNc1cccc[nH+]1 ZINC000439969884 1025505076 /nfs/dbraw/zinc/50/50/76/1025505076.db2.gz UGUTYFDQRAEFQE-UHFFFAOYSA-N 1 2 345.244 4.020 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c(F)c1 ZINC000585742023 1025814092 /nfs/dbraw/zinc/81/40/92/1025814092.db2.gz QVINAIYPSXJAJT-UHFFFAOYSA-N 1 2 342.267 4.025 20 30 EIEDLO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549626000 1026013534 /nfs/dbraw/zinc/01/35/34/1026013534.db2.gz PYJLOSOXKMYUGW-YJYMSZOUSA-N 1 2 345.849 4.304 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccn1 ZINC000182086585 1026212011 /nfs/dbraw/zinc/21/20/11/1026212011.db2.gz ASGOAUCOFHFCKH-OPAMFIHVSA-N 1 2 343.430 4.402 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1F ZINC000894747511 1026390828 /nfs/dbraw/zinc/39/08/28/1026390828.db2.gz LZJWAOOLUJSTBG-IBGZPJMESA-N 1 2 329.802 4.016 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550239646 1026394387 /nfs/dbraw/zinc/39/43/87/1026394387.db2.gz YXGKOQRTBMWBQF-MLGOLLRUSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550239646 1026394400 /nfs/dbraw/zinc/39/44/00/1026394400.db2.gz YXGKOQRTBMWBQF-MLGOLLRUSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506860040 1026479122 /nfs/dbraw/zinc/47/91/22/1026479122.db2.gz YSEFQSIKZLSTPS-AWEZNQCLSA-N 1 2 343.833 4.234 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1cccs1 ZINC000247856743 1026567927 /nfs/dbraw/zinc/56/79/27/1026567927.db2.gz XTDGRAMAHBXXLI-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1cccs1 ZINC000247856743 1026567939 /nfs/dbraw/zinc/56/79/39/1026567939.db2.gz XTDGRAMAHBXXLI-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(F)ccc1C#N)CCC2 ZINC000152495393 1026613037 /nfs/dbraw/zinc/61/30/37/1026613037.db2.gz QKCZPDCZCWOTEL-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(F)ccc1C#N)CCC2 ZINC000152495393 1026613044 /nfs/dbraw/zinc/61/30/44/1026613044.db2.gz QKCZPDCZCWOTEL-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO CSCc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000507253902 1026717733 /nfs/dbraw/zinc/71/77/33/1026717733.db2.gz SOWKXMQHECNBBP-UHFFFAOYSA-N 1 2 331.510 4.288 20 30 EIEDLO CSCc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000507253902 1026717740 /nfs/dbraw/zinc/71/77/40/1026717740.db2.gz SOWKXMQHECNBBP-UHFFFAOYSA-N 1 2 331.510 4.288 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1csnn1)c1ccc(C(F)(F)F)cc1 ZINC000345028629 1026760425 /nfs/dbraw/zinc/76/04/25/1026760425.db2.gz MRTRCSZPRQIROU-AWEZNQCLSA-N 1 2 327.375 4.354 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000894871129 1026914123 /nfs/dbraw/zinc/91/41/23/1026914123.db2.gz RNVBBOWCMKYKQK-HNNXBMFYSA-N 1 2 347.281 4.247 20 30 EIEDLO CSc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1C#N ZINC000896045810 1027179090 /nfs/dbraw/zinc/17/90/90/1027179090.db2.gz LZFTYVNHUACBOX-UHFFFAOYSA-N 1 2 343.399 4.045 20 30 EIEDLO C=CCCOCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000342838618 1027236110 /nfs/dbraw/zinc/23/61/10/1027236110.db2.gz HMKOGEVLFFIAIG-UHFFFAOYSA-N 1 2 347.846 4.227 20 30 EIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444698315 1027988106 /nfs/dbraw/zinc/98/81/06/1027988106.db2.gz BTOKRXTZLXOODN-QRWLVFNGSA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444698315 1027988119 /nfs/dbraw/zinc/98/81/19/1027988119.db2.gz BTOKRXTZLXOODN-QRWLVFNGSA-N 1 2 340.854 4.368 20 30 EIEDLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000330249296 1028236903 /nfs/dbraw/zinc/23/69/03/1028236903.db2.gz MPRAHQLEQAKIDK-XJKSGUPXSA-N 1 2 333.819 4.319 20 30 EIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1C=CCCC1 ZINC000330263639 1028242258 /nfs/dbraw/zinc/24/22/58/1028242258.db2.gz WUUDCUJQKLZQFX-INIZCTEOSA-N 1 2 336.439 4.321 20 30 EIEDLO C=CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1F ZINC000154949840 1028327470 /nfs/dbraw/zinc/32/74/70/1028327470.db2.gz JNFJZHPRTGSQRZ-UHFFFAOYSA-N 1 2 338.430 4.340 20 30 EIEDLO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1F ZINC000154949840 1028327481 /nfs/dbraw/zinc/32/74/81/1028327481.db2.gz JNFJZHPRTGSQRZ-UHFFFAOYSA-N 1 2 338.430 4.340 20 30 EIEDLO N#Cc1cccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346503700 1028460159 /nfs/dbraw/zinc/46/01/59/1028460159.db2.gz VVRWMWYJJYYONX-HXUWFJFHSA-N 1 2 335.357 4.111 20 30 EIEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330337085 1028546596 /nfs/dbraw/zinc/54/65/96/1028546596.db2.gz SYAPUYCIWOYUGK-JFIYKMOQSA-N 1 2 333.476 4.203 20 30 EIEDLO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccccc1 ZINC000508542219 1028878815 /nfs/dbraw/zinc/87/88/15/1028878815.db2.gz PCNMXZLTNCMTSO-UHFFFAOYSA-N 1 2 340.496 4.411 20 30 EIEDLO C=CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccccc1 ZINC000508542219 1028878819 /nfs/dbraw/zinc/87/88/19/1028878819.db2.gz PCNMXZLTNCMTSO-UHFFFAOYSA-N 1 2 340.496 4.411 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3ccccc3F)n2)C2CC2)cc1 ZINC000445762137 1028881948 /nfs/dbraw/zinc/88/19/48/1028881948.db2.gz WHVLUIAOJDKNQI-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3ccccc3F)n2)C2CC2)cc1 ZINC000445762137 1028881949 /nfs/dbraw/zinc/88/19/49/1028881949.db2.gz WHVLUIAOJDKNQI-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccc(C#N)c1 ZINC000444243426 1029109143 /nfs/dbraw/zinc/10/91/43/1029109143.db2.gz ANBXRWPCQRXVAZ-UHFFFAOYSA-N 1 2 347.462 4.182 20 30 EIEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccc(C#N)c1 ZINC000444243426 1029109150 /nfs/dbraw/zinc/10/91/50/1029109150.db2.gz ANBXRWPCQRXVAZ-UHFFFAOYSA-N 1 2 347.462 4.182 20 30 EIEDLO C=CC[N@@H+](Cc1oc(CCC)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000428454618 1029583711 /nfs/dbraw/zinc/58/37/11/1029583711.db2.gz DBTDIJTYKNHSOU-UHFFFAOYSA-N 1 2 329.400 4.032 20 30 EIEDLO C=CC[N@H+](Cc1oc(CCC)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000428454618 1029583715 /nfs/dbraw/zinc/58/37/15/1029583715.db2.gz DBTDIJTYKNHSOU-UHFFFAOYSA-N 1 2 329.400 4.032 20 30 EIEDLO CC(C)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000475404743 1029614564 /nfs/dbraw/zinc/61/45/64/1029614564.db2.gz MTTAJJNNRZGUPE-MRXNPFEDSA-N 1 2 347.462 4.067 20 30 EIEDLO CC(C)c1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000475404743 1029614577 /nfs/dbraw/zinc/61/45/77/1029614577.db2.gz MTTAJJNNRZGUPE-MRXNPFEDSA-N 1 2 347.462 4.067 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1noc(-c2cncc(C)c2)n1)c1ccccc1 ZINC000450683450 1029896906 /nfs/dbraw/zinc/89/69/06/1029896906.db2.gz SJVOSGBGWONLDT-GOSISDBHSA-N 1 2 334.423 4.237 20 30 EIEDLO FC1(c2ccccn2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000450932123 1030105269 /nfs/dbraw/zinc/10/52/69/1030105269.db2.gz RBKUWDYTATYARC-UHFFFAOYSA-N 1 2 328.818 4.047 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 ZINC000448283215 1030702648 /nfs/dbraw/zinc/70/26/48/1030702648.db2.gz KVOONFDBMONMBA-LNRXMEIDSA-N 1 2 338.495 4.424 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 ZINC000448283215 1030702662 /nfs/dbraw/zinc/70/26/62/1030702662.db2.gz KVOONFDBMONMBA-LNRXMEIDSA-N 1 2 338.495 4.424 20 30 EIEDLO CCOc1cc2[nH+]ccc(N3CCC[C@@](C)(C#N)C3)c2cc1OCC ZINC000612108704 1030880709 /nfs/dbraw/zinc/88/07/09/1030880709.db2.gz QKTPELDPQBOXKV-FQEVSTJZSA-N 1 2 339.439 4.162 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c(F)c1 ZINC000109761143 1030883744 /nfs/dbraw/zinc/88/37/44/1030883744.db2.gz STRQECBQGALAFG-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c(F)c1 ZINC000109761143 1030883746 /nfs/dbraw/zinc/88/37/46/1030883746.db2.gz STRQECBQGALAFG-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO Cc1cccn2cc(CCNc3ccc(C(F)(F)F)cc3C#N)[nH+]c12 ZINC000610716198 1030917738 /nfs/dbraw/zinc/91/77/38/1030917738.db2.gz DROQHIUMJXFRGV-UHFFFAOYSA-N 1 2 344.340 4.188 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406677 1031480391 /nfs/dbraw/zinc/48/03/91/1031480391.db2.gz REWHCVCIYNOGCC-LJQANCHMSA-N 1 2 342.874 4.268 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406677 1031480397 /nfs/dbraw/zinc/48/03/97/1031480397.db2.gz REWHCVCIYNOGCC-LJQANCHMSA-N 1 2 342.874 4.268 20 30 EIEDLO CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673188 1033680243 /nfs/dbraw/zinc/68/02/43/1033680243.db2.gz PGLQWQDYZSGXQR-KBXCAEBGSA-N 1 2 329.419 4.024 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000397791542 1034487632 /nfs/dbraw/zinc/48/76/32/1034487632.db2.gz ZPQSJQMIPDVIRB-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000397791542 1034487649 /nfs/dbraw/zinc/48/76/49/1034487649.db2.gz ZPQSJQMIPDVIRB-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000576409475 1034533233 /nfs/dbraw/zinc/53/32/33/1034533233.db2.gz UWVWHPMBBPOOLA-MRXNPFEDSA-N 1 2 337.423 4.008 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1Cl ZINC000513118148 1034592509 /nfs/dbraw/zinc/59/25/09/1034592509.db2.gz YJMYFEOKLYZDFT-LLVKDONJSA-N 1 2 338.785 4.429 20 30 EIEDLO C#CCOc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000151120178 1035508688 /nfs/dbraw/zinc/50/86/88/1035508688.db2.gz LXQWBDLGICNORB-JOCHJYFZSA-N 1 2 347.414 4.179 20 30 EIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000595092237 1035600790 /nfs/dbraw/zinc/60/07/90/1035600790.db2.gz ZYVRLTLONDJBGQ-CYBMUJFWSA-N 1 2 330.863 4.351 20 30 EIEDLO C#CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000490877050 1035703951 /nfs/dbraw/zinc/70/39/51/1035703951.db2.gz WCBCUDRJJMDUQA-RTBURBONSA-N 1 2 338.476 4.117 20 30 EIEDLO C#CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000490877050 1035703974 /nfs/dbraw/zinc/70/39/74/1035703974.db2.gz WCBCUDRJJMDUQA-RTBURBONSA-N 1 2 338.476 4.117 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595616078 1035750751 /nfs/dbraw/zinc/75/07/51/1035750751.db2.gz OUADKFJXVLJRNG-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595616078 1035750773 /nfs/dbraw/zinc/75/07/73/1035750773.db2.gz OUADKFJXVLJRNG-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000595615323 1035752877 /nfs/dbraw/zinc/75/28/77/1035752877.db2.gz PWAWIOQSEFLEOQ-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000595615323 1035752909 /nfs/dbraw/zinc/75/29/09/1035752909.db2.gz PWAWIOQSEFLEOQ-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674479 1035766575 /nfs/dbraw/zinc/76/65/75/1035766575.db2.gz JRNKDUSNWWXWRF-BEFAXECRSA-N 1 2 349.434 4.096 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674479 1035766586 /nfs/dbraw/zinc/76/65/86/1035766586.db2.gz JRNKDUSNWWXWRF-BEFAXECRSA-N 1 2 349.434 4.096 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1F ZINC000595747429 1035782249 /nfs/dbraw/zinc/78/22/49/1035782249.db2.gz JBKBCGQHIDYQKI-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1F ZINC000595747429 1035782272 /nfs/dbraw/zinc/78/22/72/1035782272.db2.gz JBKBCGQHIDYQKI-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO N#CC[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000596326669 1035852851 /nfs/dbraw/zinc/85/28/51/1035852851.db2.gz YRTRCEOMRMJILC-LLVKDONJSA-N 1 2 348.219 4.266 20 30 EIEDLO N#CC[C@@H]1CCCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000596329973 1035854429 /nfs/dbraw/zinc/85/44/29/1035854429.db2.gz IZNWNVDMKGJSPP-LBPRGKRZSA-N 1 2 330.229 4.127 20 30 EIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)Cc1ccccc1 ZINC000502339260 1036097761 /nfs/dbraw/zinc/09/77/61/1036097761.db2.gz XZFZXTSCHSZPTR-UHFFFAOYSA-N 1 2 333.435 4.487 20 30 EIEDLO C=CC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)Cc1ccccc1 ZINC000502339260 1036097781 /nfs/dbraw/zinc/09/77/81/1036097781.db2.gz XZFZXTSCHSZPTR-UHFFFAOYSA-N 1 2 333.435 4.487 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176494 1036140588 /nfs/dbraw/zinc/14/05/88/1036140588.db2.gz ICNAYIWAFDIERD-LBPRGKRZSA-N 1 2 326.271 4.185 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176494 1036140604 /nfs/dbraw/zinc/14/06/04/1036140604.db2.gz ICNAYIWAFDIERD-LBPRGKRZSA-N 1 2 326.271 4.185 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C#N)CC4CCC3CC4)c2)[nH+]c1C ZINC000906389082 1036259152 /nfs/dbraw/zinc/25/91/52/1036259152.db2.gz KPPYWFLLQVOAEV-GRXDXKALSA-N 1 2 348.450 4.352 20 30 EIEDLO CCOc1c(Cl)cc(C[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000602007773 1036308604 /nfs/dbraw/zinc/30/86/04/1036308604.db2.gz XLZUTVHJCPRIEX-UHFFFAOYSA-N 1 2 348.805 4.048 20 30 EIEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814208 1036733781 /nfs/dbraw/zinc/73/37/81/1036733781.db2.gz FHWDVTHDRHHHKB-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814208 1036733795 /nfs/dbraw/zinc/73/37/95/1036733795.db2.gz FHWDVTHDRHHHKB-OAHLLOKOSA-N 1 2 329.488 4.033 20 30 EIEDLO N#CCC[C@@H]([NH2+]Cc1ncc(Br)cc1F)c1ccccc1 ZINC000598971538 1036835299 /nfs/dbraw/zinc/83/52/99/1036835299.db2.gz VRKUACGFEMHJEA-OAHLLOKOSA-N 1 2 348.219 4.118 20 30 EIEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000486764160 1036844447 /nfs/dbraw/zinc/84/44/47/1036844447.db2.gz SMAPFRRWVUADKC-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO CCCOc1c(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)cc1OC ZINC000272471528 1037196583 /nfs/dbraw/zinc/19/65/83/1037196583.db2.gz ALLRUWARNOPXBO-UHFFFAOYSA-N 1 2 336.863 4.263 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2ccccc2OCc2ccccc2)c1 ZINC000545927606 1037702651 /nfs/dbraw/zinc/70/26/51/1037702651.db2.gz HVBMRKSIIFSSEW-UHFFFAOYSA-N 1 2 329.403 4.339 20 30 EIEDLO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000489570774 1038141464 /nfs/dbraw/zinc/14/14/64/1038141464.db2.gz YKNLKSYDAJXYHV-UHFFFAOYSA-N 1 2 338.426 4.358 20 30 EIEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cn1 ZINC000594015008 1038205406 /nfs/dbraw/zinc/20/54/06/1038205406.db2.gz RVYXJXVKPYGDPS-QGZVFWFLSA-N 1 2 341.842 4.125 20 30 EIEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000594015008 1038205420 /nfs/dbraw/zinc/20/54/20/1038205420.db2.gz RVYXJXVKPYGDPS-QGZVFWFLSA-N 1 2 341.842 4.125 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)Cc1cccc(C#N)c1 ZINC000063300414 1038211812 /nfs/dbraw/zinc/21/18/12/1038211812.db2.gz KAYFCCIIZVTHDJ-UHFFFAOYSA-N 1 2 347.462 4.056 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)Cc1cccc(C#N)c1 ZINC000063300414 1038211832 /nfs/dbraw/zinc/21/18/32/1038211832.db2.gz KAYFCCIIZVTHDJ-UHFFFAOYSA-N 1 2 347.462 4.056 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)o2)c1 ZINC000046518201 1038297425 /nfs/dbraw/zinc/29/74/25/1038297425.db2.gz DUERLZJXVSOUHQ-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)o2)c1 ZINC000046518201 1038297442 /nfs/dbraw/zinc/29/74/42/1038297442.db2.gz DUERLZJXVSOUHQ-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480864545 1038847254 /nfs/dbraw/zinc/84/72/54/1038847254.db2.gz NSMQLSJKNLMPDE-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480864545 1038847258 /nfs/dbraw/zinc/84/72/58/1038847258.db2.gz NSMQLSJKNLMPDE-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907222 1039019564 /nfs/dbraw/zinc/01/95/64/1039019564.db2.gz RNXIHBZOJOENTJ-INIZCTEOSA-N 1 2 349.434 4.041 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000600150220 1039331179 /nfs/dbraw/zinc/33/11/79/1039331179.db2.gz BAPVAXNSYNOUTG-HNNXBMFYSA-N 1 2 338.386 4.048 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000552405770 1039470635 /nfs/dbraw/zinc/47/06/35/1039470635.db2.gz ZHYFLGONEBKXIJ-HNNXBMFYSA-N 1 2 344.480 4.080 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000552405770 1039470646 /nfs/dbraw/zinc/47/06/46/1039470646.db2.gz ZHYFLGONEBKXIJ-HNNXBMFYSA-N 1 2 344.480 4.080 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000093091326 1039626365 /nfs/dbraw/zinc/62/63/65/1039626365.db2.gz HHLSQIRFMGNHLU-UHFFFAOYSA-N 1 2 336.863 4.263 20 30 EIEDLO CCCOc1c(Cl)cc(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000093091326 1039626379 /nfs/dbraw/zinc/62/63/79/1039626379.db2.gz HHLSQIRFMGNHLU-UHFFFAOYSA-N 1 2 336.863 4.263 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000093091297 1039628434 /nfs/dbraw/zinc/62/84/34/1039628434.db2.gz YNNJTVBUXMWSRQ-UHFFFAOYSA-N 1 2 342.874 4.268 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000093091297 1039628461 /nfs/dbraw/zinc/62/84/61/1039628461.db2.gz YNNJTVBUXMWSRQ-UHFFFAOYSA-N 1 2 342.874 4.268 20 30 EIEDLO N#Cc1cc(F)ccc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000550983828 1039854041 /nfs/dbraw/zinc/85/40/41/1039854041.db2.gz XHOOSLHVYYEISJ-UHFFFAOYSA-N 1 2 347.393 4.476 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000539836817 1040831381 /nfs/dbraw/zinc/83/13/81/1040831381.db2.gz HQZPXYVAMSZPEG-KXBFYZLASA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000539836817 1040831384 /nfs/dbraw/zinc/83/13/84/1040831384.db2.gz HQZPXYVAMSZPEG-KXBFYZLASA-N 1 2 326.465 4.199 20 30 EIEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(C)C ZINC000539865482 1040855171 /nfs/dbraw/zinc/85/51/71/1040855171.db2.gz XRAWRRLRTXDOSE-MRXNPFEDSA-N 1 2 330.472 4.244 20 30 EIEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(C)C ZINC000539865482 1040855174 /nfs/dbraw/zinc/85/51/74/1040855174.db2.gz XRAWRRLRTXDOSE-MRXNPFEDSA-N 1 2 330.472 4.244 20 30 EIEDLO C(#Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000483599256 1040906551 /nfs/dbraw/zinc/90/65/51/1040906551.db2.gz HIFOCZKCUXASMP-HXUWFJFHSA-N 1 2 343.430 4.315 20 30 EIEDLO C(#Cc1ccccc1)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000483599256 1040906561 /nfs/dbraw/zinc/90/65/61/1040906561.db2.gz HIFOCZKCUXASMP-HXUWFJFHSA-N 1 2 343.430 4.315 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483931066 1041071133 /nfs/dbraw/zinc/07/11/33/1041071133.db2.gz IVXFQNSLEKDETQ-NRFANRHFSA-N 1 2 329.447 4.245 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483931066 1041071141 /nfs/dbraw/zinc/07/11/41/1041071141.db2.gz IVXFQNSLEKDETQ-NRFANRHFSA-N 1 2 329.447 4.245 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(N(C)C)s1 ZINC000506085087 1041868803 /nfs/dbraw/zinc/86/88/03/1041868803.db2.gz ILXQUPYGGDWVBN-UHFFFAOYSA-N 1 2 327.906 4.112 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(N(C)C)s1 ZINC000506085087 1041868805 /nfs/dbraw/zinc/86/88/05/1041868805.db2.gz ILXQUPYGGDWVBN-UHFFFAOYSA-N 1 2 327.906 4.112 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)nc1 ZINC000517212398 1041898983 /nfs/dbraw/zinc/89/89/83/1041898983.db2.gz MSOUOBGZGMZFOW-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nc1 ZINC000517212398 1041898984 /nfs/dbraw/zinc/89/89/84/1041898984.db2.gz MSOUOBGZGMZFOW-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO Clc1ccc(C#CC[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000426391271 1042635407 /nfs/dbraw/zinc/63/54/07/1042635407.db2.gz SMXKGDOHWORDFQ-NRFANRHFSA-N 1 2 332.834 4.466 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000520558681 1042891319 /nfs/dbraw/zinc/89/13/19/1042891319.db2.gz ZODJGJBBMMIQHD-UHFFFAOYSA-N 1 2 338.373 4.112 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000520558681 1042891321 /nfs/dbraw/zinc/89/13/21/1042891321.db2.gz ZODJGJBBMMIQHD-UHFFFAOYSA-N 1 2 338.373 4.112 20 30 EIEDLO CCCc1csc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000494136836 1043021321 /nfs/dbraw/zinc/02/13/21/1043021321.db2.gz MBUGWQZLSKPUPA-UHFFFAOYSA-N 1 2 338.398 4.256 20 30 EIEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N(C)C)cc1 ZINC000727649439 1043257192 /nfs/dbraw/zinc/25/71/92/1043257192.db2.gz ILSCEHGOGUWZAU-UHFFFAOYSA-N 1 2 332.791 4.150 20 30 EIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000520850111 1043403584 /nfs/dbraw/zinc/40/35/84/1043403584.db2.gz FVZKKTBEVMQTAJ-LLVKDONJSA-N 1 2 346.780 4.338 20 30 EIEDLO CCCCn1nc(C)c(C=NNc2cc[nH+]c3ccccc23)c1Cl ZINC000730148617 1043456354 /nfs/dbraw/zinc/45/63/54/1043456354.db2.gz ZOIXEBKZNIQCQK-UHFFFAOYSA-N 1 2 341.846 4.061 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000731894186 1043842047 /nfs/dbraw/zinc/84/20/47/1043842047.db2.gz XNOUFZPQFHCPPD-DRSNIGMVSA-N 1 2 345.446 4.161 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000731894186 1043842049 /nfs/dbraw/zinc/84/20/49/1043842049.db2.gz XNOUFZPQFHCPPD-DRSNIGMVSA-N 1 2 345.446 4.161 20 30 EIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000521743588 1043953411 /nfs/dbraw/zinc/95/34/11/1043953411.db2.gz SOKBNLOMHVFGGU-FQEVSTJZSA-N 1 2 336.435 4.027 20 30 EIEDLO COc1cccc(C2(F)CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428995777 1044480649 /nfs/dbraw/zinc/48/06/49/1044480649.db2.gz QMQNLMVZLOXLPM-UHFFFAOYSA-N 1 2 342.389 4.167 20 30 EIEDLO C[NH+](C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000914557527 1044482404 /nfs/dbraw/zinc/48/24/04/1044482404.db2.gz HXLPQGUXIVOSAC-ZMNVVMRHSA-N 1 2 343.279 4.482 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)o1 ZINC000466469657 1044567071 /nfs/dbraw/zinc/56/70/71/1044567071.db2.gz WLHGFPDOYIOIGN-OAHLLOKOSA-N 1 2 349.459 4.170 20 30 EIEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000522420772 1044795391 /nfs/dbraw/zinc/79/53/91/1044795391.db2.gz ZBNVVDCDGIAMIH-SFHVURJKSA-N 1 2 346.474 4.258 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000676714519 1044828071 /nfs/dbraw/zinc/82/80/71/1044828071.db2.gz LNLCOEILIMVDGL-HXUWFJFHSA-N 1 2 325.839 4.155 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000676714519 1044828076 /nfs/dbraw/zinc/82/80/76/1044828076.db2.gz LNLCOEILIMVDGL-HXUWFJFHSA-N 1 2 325.839 4.155 20 30 EIEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000735925897 1044879084 /nfs/dbraw/zinc/87/90/84/1044879084.db2.gz YZFGILYQWJIXDH-UHFFFAOYSA-N 1 2 344.673 4.389 20 30 EIEDLO COc1ccc2oc(C(=O)/C=C\c3c[nH+]c4ccccn34)c(C)c2c1 ZINC000740765492 1045218280 /nfs/dbraw/zinc/21/82/80/1045218280.db2.gz DBMIXVLLWJCFTH-VURMDHGXSA-N 1 2 332.359 4.294 20 30 EIEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000740765750 1045220511 /nfs/dbraw/zinc/22/05/11/1045220511.db2.gz RBIITFZKHSECJW-XYOKQWHBSA-N 1 2 344.292 4.055 20 30 EIEDLO COc1cccc(C(F)(F)F)c1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168490843 1045263595 /nfs/dbraw/zinc/26/35/95/1045263595.db2.gz SRRZLPDFZAJRDF-UHFFFAOYSA-N 1 2 347.340 4.276 20 30 EIEDLO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 ZINC000611263697 1045268372 /nfs/dbraw/zinc/26/83/72/1045268372.db2.gz IMVDHESBXVZIJC-RKDXNWHRSA-N 1 2 342.308 4.182 20 30 EIEDLO COc1ccc(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)c(O)c1 ZINC000762600768 1045310572 /nfs/dbraw/zinc/31/05/72/1045310572.db2.gz RDWHVHGVMGJRQF-KTKRTIGZSA-N 1 2 336.391 4.068 20 30 EIEDLO CCCCCCCCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000915647319 1045442066 /nfs/dbraw/zinc/44/20/66/1045442066.db2.gz ZROOEHCRGXOMBR-UHFFFAOYSA-N 1 2 331.504 4.307 20 30 EIEDLO CCO[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000767463784 1045537404 /nfs/dbraw/zinc/53/74/04/1045537404.db2.gz JKUJCIWCKSLNPN-QJMCSQRZSA-N 1 2 346.858 4.126 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c1=S ZINC000763241626 1045791495 /nfs/dbraw/zinc/79/14/95/1045791495.db2.gz OYFTYVAHGBZKMT-GOSISDBHSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c1=S ZINC000763241626 1045791511 /nfs/dbraw/zinc/79/15/11/1045791511.db2.gz OYFTYVAHGBZKMT-GOSISDBHSA-N 1 2 342.512 4.121 20 30 EIEDLO CCC[N@H+](Cc1occc1Br)Cc1ccc(C#N)cc1 ZINC000768485702 1045809815 /nfs/dbraw/zinc/80/98/15/1045809815.db2.gz XLMXKTJCLCDWJC-UHFFFAOYSA-N 1 2 333.229 4.326 20 30 EIEDLO CCC[N@@H+](Cc1occc1Br)Cc1ccc(C#N)cc1 ZINC000768485702 1045809817 /nfs/dbraw/zinc/80/98/17/1045809817.db2.gz XLMXKTJCLCDWJC-UHFFFAOYSA-N 1 2 333.229 4.326 20 30 EIEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000791846272 1045831594 /nfs/dbraw/zinc/83/15/94/1045831594.db2.gz XZIOXLBYHQGOOZ-UHFFFAOYSA-N 1 2 338.455 4.066 20 30 EIEDLO COc1cccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000763358847 1045930730 /nfs/dbraw/zinc/93/07/30/1045930730.db2.gz FZXCPCXVXHDSBL-UHFFFAOYSA-N 1 2 329.831 4.395 20 30 EIEDLO C#CC[N@@H+](Cc1ccoc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000769404027 1045951917 /nfs/dbraw/zinc/95/19/17/1045951917.db2.gz MPRFUKALZIFXCK-INIZCTEOSA-N 1 2 346.224 4.001 20 30 EIEDLO C#CC[N@H+](Cc1ccoc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000769404027 1045951901 /nfs/dbraw/zinc/95/19/01/1045951901.db2.gz MPRFUKALZIFXCK-INIZCTEOSA-N 1 2 346.224 4.001 20 30 EIEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000769396203 1045966496 /nfs/dbraw/zinc/96/64/96/1045966496.db2.gz XXJSSZLBMQIHGM-UHFFFAOYSA-N 1 2 340.492 4.056 20 30 EIEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000769396203 1045966485 /nfs/dbraw/zinc/96/64/85/1045966485.db2.gz XXJSSZLBMQIHGM-UHFFFAOYSA-N 1 2 340.492 4.056 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCCCC2)cc1 ZINC000769606203 1046031657 /nfs/dbraw/zinc/03/16/57/1046031657.db2.gz CDQOTOGBRXJVHY-QXMHVHEDSA-N 1 2 331.419 4.221 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1=S ZINC000793535520 1046273549 /nfs/dbraw/zinc/27/35/49/1046273549.db2.gz XKHXPIBCAAMUIQ-DOTOQJQBSA-N 1 2 349.450 4.293 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1=S ZINC000793535520 1046273568 /nfs/dbraw/zinc/27/35/68/1046273568.db2.gz XKHXPIBCAAMUIQ-DOTOQJQBSA-N 1 2 349.450 4.293 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Br)cc3)n2c1 ZINC000771838210 1046496489 /nfs/dbraw/zinc/49/64/89/1046496489.db2.gz NAZBVZPFMUOQMU-BQYQJAHWSA-N 1 2 341.208 4.301 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(Br)c3)n2c1 ZINC000771837782 1046496890 /nfs/dbraw/zinc/49/68/90/1046496890.db2.gz LJSIEBPVVNUDCC-SREVYHEPSA-N 1 2 341.208 4.301 20 30 EIEDLO C=C(C)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000066316833 1046613056 /nfs/dbraw/zinc/61/30/56/1046613056.db2.gz HTBBAIVHNWXWJK-LBPRGKRZSA-N 1 2 336.892 4.212 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000536677307 1046664579 /nfs/dbraw/zinc/66/45/79/1046664579.db2.gz JSVONJHQDSHEPK-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO CC[C@@H]1CC([NH2+]C2(C#N)CCCC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170469478 1046825290 /nfs/dbraw/zinc/82/52/90/1046825290.db2.gz LDTDIILNQBHLIV-IAGOWNOFSA-N 1 2 349.519 4.369 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000917456191 1046898286 /nfs/dbraw/zinc/89/82/86/1046898286.db2.gz INKRWQGZSXNHNA-UHFFFAOYSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000917456191 1046898289 /nfs/dbraw/zinc/89/82/89/1046898289.db2.gz INKRWQGZSXNHNA-UHFFFAOYSA-N 1 2 346.500 4.328 20 30 EIEDLO N#Cc1ccc(CNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)cc1F ZINC001170096091 1047355185 /nfs/dbraw/zinc/35/51/85/1047355185.db2.gz WATVLXOKANCCNY-UHFFFAOYSA-N 1 2 334.276 4.205 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2[nH+]c3ccccc3n2C2CC2)cc1 ZINC000763427411 1047431573 /nfs/dbraw/zinc/43/15/73/1047431573.db2.gz ZPAQQAYYJIHJRS-UHFFFAOYSA-N 1 2 345.450 4.333 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000807591636 1047477296 /nfs/dbraw/zinc/47/72/96/1047477296.db2.gz HIXUOSJZERGHFO-SFHVURJKSA-N 1 2 332.492 4.146 20 30 EIEDLO N#CCC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000130598307 1047748761 /nfs/dbraw/zinc/74/87/61/1047748761.db2.gz DTYBRCATSMAACC-KRWDZBQOSA-N 1 2 334.448 4.340 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000556511161 1047801680 /nfs/dbraw/zinc/80/16/80/1047801680.db2.gz DDTNDYIKFNYLDL-UHFFFAOYSA-N 1 2 333.366 4.131 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168308256 1047812661 /nfs/dbraw/zinc/81/26/61/1047812661.db2.gz GDKXFMMRAMEMCO-WCBMZHEXSA-N 1 2 327.243 4.071 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168308256 1047812663 /nfs/dbraw/zinc/81/26/63/1047812663.db2.gz GDKXFMMRAMEMCO-WCBMZHEXSA-N 1 2 327.243 4.071 20 30 EIEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H](CCCC#N)c1ccccc1 ZINC000814262997 1047910555 /nfs/dbraw/zinc/91/05/55/1047910555.db2.gz AFKAJBGFCBXNGE-KRWDZBQOSA-N 1 2 348.454 4.428 20 30 EIEDLO C=C(Br)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000919647711 1047920393 /nfs/dbraw/zinc/92/03/93/1047920393.db2.gz JJSSZZSAKLRKBD-UHFFFAOYSA-N 1 2 337.286 4.384 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccccc1 ZINC000499064105 1048156087 /nfs/dbraw/zinc/15/60/87/1048156087.db2.gz GVISJUOVINYJOC-AWEZNQCLSA-N 1 2 348.899 4.094 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccccc1 ZINC000499064105 1048156091 /nfs/dbraw/zinc/15/60/91/1048156091.db2.gz GVISJUOVINYJOC-AWEZNQCLSA-N 1 2 348.899 4.094 20 30 EIEDLO CCC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccc(Cl)c(N)c1 ZINC000814795177 1048172350 /nfs/dbraw/zinc/17/23/50/1048172350.db2.gz SKZJQSZUOMVBBS-UHFFFAOYSA-N 1 2 349.772 4.303 20 30 EIEDLO CC(=[NH+]Nc1ccc(Br)c(C)c1)c1cc(N)ccc1F ZINC000814816408 1048181431 /nfs/dbraw/zinc/18/14/31/1048181431.db2.gz NKNIBSMQUJKVBS-UHFFFAOYSA-N 1 2 336.208 4.315 20 30 EIEDLO CC(=[NH+]Nc1nc2ccccc2cc1C)c1cc(F)c(N)c(F)c1 ZINC000814896049 1048221570 /nfs/dbraw/zinc/22/15/70/1048221570.db2.gz GACAZGMEVAUAIX-UHFFFAOYSA-N 1 2 326.350 4.240 20 30 EIEDLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2Cc1cncc(C#N)c1 ZINC001144083844 1048414564 /nfs/dbraw/zinc/41/45/64/1048414564.db2.gz RWCLDAUUIAEBDV-PKTZIBPZSA-N 1 2 337.426 4.330 20 30 EIEDLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2Cc1cncc(C#N)c1 ZINC001144083844 1048414592 /nfs/dbraw/zinc/41/45/92/1048414592.db2.gz RWCLDAUUIAEBDV-PKTZIBPZSA-N 1 2 337.426 4.330 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698755 1048461336 /nfs/dbraw/zinc/46/13/36/1048461336.db2.gz HXCRDSUEGXKPGU-KRWDZBQOSA-N 1 2 347.817 4.351 20 30 EIEDLO N#CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809973935 1048584077 /nfs/dbraw/zinc/58/40/77/1048584077.db2.gz FYKZVVJUOYTWHW-UHFFFAOYSA-N 1 2 328.199 4.027 20 30 EIEDLO CN(c1ccc(Nc2ccc(C#N)c(C#N)c2)c[nH+]1)C1CCCCC1 ZINC001212614275 1048673769 /nfs/dbraw/zinc/67/37/69/1048673769.db2.gz KNROPVFPXQPFTA-UHFFFAOYSA-N 1 2 331.423 4.337 20 30 EIEDLO [NH2+]=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2cc(O)ccc2c1 ZINC001171183752 1048673898 /nfs/dbraw/zinc/67/38/98/1048673898.db2.gz AKEFIDDKHXKZCL-UHFFFAOYSA-N 1 2 341.754 4.144 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]\CCCCOCc2ccccc2)c1 ZINC000747615538 1048831083 /nfs/dbraw/zinc/83/10/83/1048831083.db2.gz ZBQPEDYAIGPEDX-QNGOZBTKSA-N 1 2 327.424 4.207 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1F ZINC000816608323 1048842123 /nfs/dbraw/zinc/84/21/23/1048842123.db2.gz WEUSUNUKHJIHHK-HNNXBMFYSA-N 1 2 342.172 4.441 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(N(CC)CC)s1)c1ccc(Cl)cc1 ZINC000811516899 1049101581 /nfs/dbraw/zinc/10/15/81/1049101581.db2.gz XIVNOZIJOWWSGJ-MRXNPFEDSA-N 1 2 333.888 4.107 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2cccs2)s1)c1ccc(F)cc1 ZINC000812793190 1049589223 /nfs/dbraw/zinc/58/92/23/1049589223.db2.gz ODJYIPVICHBIQN-OAHLLOKOSA-N 1 2 328.437 4.475 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(Br)cc1OC)c1ccc(F)cc1 ZINC000812792860 1049592689 /nfs/dbraw/zinc/59/26/89/1049592689.db2.gz JEUCJYCPDICKLH-INIZCTEOSA-N 1 2 348.215 4.061 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc(Cl)c(N)c(Cl)c3)n2c1 ZINC000773163717 1049622557 /nfs/dbraw/zinc/62/25/57/1049622557.db2.gz ZATWMKDCOWPHPZ-ONEGZZNKSA-N 1 2 346.217 4.428 20 30 EIEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](Cc1ccccn1)C(=O)OCC ZINC001172350171 1049891373 /nfs/dbraw/zinc/89/13/73/1049891373.db2.gz KXPMZGQCGAEZBQ-HKUYNNGSSA-N 1 2 334.504 4.285 20 30 EIEDLO Cc1cccc(CCCNc2ccc(C#N)c(Br)c2)[nH+]1 ZINC001186387556 1050305671 /nfs/dbraw/zinc/30/56/71/1050305671.db2.gz GPEXUDAIGROAMN-UHFFFAOYSA-N 1 2 330.229 4.069 20 30 EIEDLO CCCCCCCC[C@H](CCC)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001173309985 1050404403 /nfs/dbraw/zinc/40/44/03/1050404403.db2.gz NOUKKMWIMPJLDS-ZWKOTPCHSA-N 1 2 337.508 4.018 20 30 EIEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173787251 1050572636 /nfs/dbraw/zinc/57/26/36/1050572636.db2.gz PJIWVPWLHZNHAY-NLPFYKDJSA-N 1 2 328.456 4.310 20 30 EIEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2Cl)C2CCCC2)nn1 ZINC001180184656 1050897865 /nfs/dbraw/zinc/89/78/65/1050897865.db2.gz RQKARWINFJQYQN-UHFFFAOYSA-N 1 2 344.890 4.452 20 30 EIEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2Cl)C2CCCC2)nn1 ZINC001180184656 1050897870 /nfs/dbraw/zinc/89/78/70/1050897870.db2.gz RQKARWINFJQYQN-UHFFFAOYSA-N 1 2 344.890 4.452 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154334 1051098013 /nfs/dbraw/zinc/09/80/13/1051098013.db2.gz SUUKAWPUJRVMFU-FGZHOGPDSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154334 1051098020 /nfs/dbraw/zinc/09/80/20/1051098020.db2.gz SUUKAWPUJRVMFU-FGZHOGPDSA-N 1 2 342.446 4.144 20 30 EIEDLO Clc1ccccc1C#CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC001190502849 1051196328 /nfs/dbraw/zinc/19/63/28/1051196328.db2.gz FOZXYVXZLIPLSV-UHFFFAOYSA-N 1 2 325.839 4.235 20 30 EIEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001191485428 1051464093 /nfs/dbraw/zinc/46/40/93/1051464093.db2.gz GUNQLWRCPVPSFR-UHFFFAOYSA-N 1 2 347.245 4.302 20 30 EIEDLO N#Cc1ccccc1OCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001191485428 1051464100 /nfs/dbraw/zinc/46/41/00/1051464100.db2.gz GUNQLWRCPVPSFR-UHFFFAOYSA-N 1 2 347.245 4.302 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001191773009 1051533030 /nfs/dbraw/zinc/53/30/30/1051533030.db2.gz IFAGJELSUSIIMG-JXFKEZNVSA-N 1 2 339.870 4.283 20 30 EIEDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C#N ZINC001192081644 1051622098 /nfs/dbraw/zinc/62/20/98/1051622098.db2.gz ZHHCCLVOBIJNOZ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C#N ZINC001192081644 1051622103 /nfs/dbraw/zinc/62/21/03/1051622103.db2.gz ZHHCCLVOBIJNOZ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO N#Cc1cccc2c(Nc3c[nH+]c(N)cc3C(F)(F)F)cccc12 ZINC001175714618 1051733558 /nfs/dbraw/zinc/73/35/58/1051733558.db2.gz SSZLFPNTAWUXTC-UHFFFAOYSA-N 1 2 328.297 4.451 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183311565 1051823279 /nfs/dbraw/zinc/82/32/79/1051823279.db2.gz DQYSJQGDADUBOZ-CJNGLKHVSA-N 1 2 343.389 4.124 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001183311420 1051823356 /nfs/dbraw/zinc/82/33/56/1051823356.db2.gz CSOHEMIALQQOLQ-GDBMZVCRSA-N 1 2 344.282 4.412 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001192944382 1051835208 /nfs/dbraw/zinc/83/52/08/1051835208.db2.gz QALQQWFFHPLZMU-INIZCTEOSA-N 1 2 330.476 4.191 20 30 EIEDLO Cc1ccc(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c(C)[nH+]1 ZINC001176260580 1051986658 /nfs/dbraw/zinc/98/66/58/1051986658.db2.gz MNLDKFFOXQORNN-UHFFFAOYSA-N 1 2 348.468 4.193 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968950 1052136284 /nfs/dbraw/zinc/13/62/84/1052136284.db2.gz QVCIGIDPWKWJLF-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO CCc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC001177009014 1052216202 /nfs/dbraw/zinc/21/62/02/1052216202.db2.gz VMRLRMDDNWRQIF-UHFFFAOYSA-N 1 2 340.854 4.363 20 30 EIEDLO CCc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC001177009014 1052216209 /nfs/dbraw/zinc/21/62/09/1052216209.db2.gz VMRLRMDDNWRQIF-UHFFFAOYSA-N 1 2 340.854 4.363 20 30 EIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000185123456 1052441481 /nfs/dbraw/zinc/44/14/81/1052441481.db2.gz BMEOHIXSBMKOGU-ZDUSSCGKSA-N 1 2 336.258 4.018 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794683928 1053265275 /nfs/dbraw/zinc/26/52/75/1053265275.db2.gz HAVTZKRZFAYFAI-AWEZNQCLSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794683928 1053265287 /nfs/dbraw/zinc/26/52/87/1053265287.db2.gz HAVTZKRZFAYFAI-AWEZNQCLSA-N 1 2 346.500 4.328 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000794692263 1053315613 /nfs/dbraw/zinc/31/56/13/1053315613.db2.gz VHVBZVKOZHBNFJ-WAYWQWQTSA-N 1 2 341.263 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000794692019 1053316137 /nfs/dbraw/zinc/31/61/37/1053316137.db2.gz STQWDPSFVAHVIY-ZHACJKMWSA-N 1 2 328.481 4.398 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000794692945 1053318588 /nfs/dbraw/zinc/31/85/88/1053318588.db2.gz ZXDVDIUXDZUBKK-AATRIKPKSA-N 1 2 341.263 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(C3CCC3)cc2)s1 ZINC000865227289 1053447524 /nfs/dbraw/zinc/44/75/24/1053447524.db2.gz NTEYLIXZZAMWIK-ZHACJKMWSA-N 1 2 326.465 4.368 20 30 EIEDLO CC(C)(C)OC(=O)Nc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000865291986 1053471657 /nfs/dbraw/zinc/47/16/57/1053471657.db2.gz WTLKZZOBAMWYON-UHFFFAOYSA-N 1 2 338.411 4.107 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852318829 1053567769 /nfs/dbraw/zinc/56/77/69/1053567769.db2.gz CEQQBIFDIHVTKG-KRWDZBQOSA-N 1 2 342.874 4.019 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852318829 1053567778 /nfs/dbraw/zinc/56/77/78/1053567778.db2.gz CEQQBIFDIHVTKG-KRWDZBQOSA-N 1 2 342.874 4.019 20 30 EIEDLO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866242522 1053663370 /nfs/dbraw/zinc/66/33/70/1053663370.db2.gz MKJDRMBBUAXMLS-UQASEVPWSA-N 1 2 336.435 4.082 20 30 EIEDLO C=C(Br)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779814 1054109157 /nfs/dbraw/zinc/10/91/57/1054109157.db2.gz ADDTXTVRMYTVPF-SSDOTTSWSA-N 1 2 343.574 4.313 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc(C#N)cc2F)cc[nH+]1 ZINC001201555432 1054840999 /nfs/dbraw/zinc/84/09/99/1054840999.db2.gz CCVSXNJJLGFYAO-UHFFFAOYSA-N 1 2 328.347 4.183 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503864 1055067396 /nfs/dbraw/zinc/06/73/96/1055067396.db2.gz WYHHITRLAGREPH-CYBMUJFWSA-N 1 2 343.780 4.161 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503864 1055067408 /nfs/dbraw/zinc/06/74/08/1055067408.db2.gz WYHHITRLAGREPH-CYBMUJFWSA-N 1 2 343.780 4.161 20 30 EIEDLO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2cc(F)ccc2O1 ZINC000877612972 1055090269 /nfs/dbraw/zinc/09/02/69/1055090269.db2.gz RPSUNNLDGOBQNQ-OAHLLOKOSA-N 1 2 345.805 4.138 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NCCCCNc1cccc[nH+]1 ZINC000301617104 1055957498 /nfs/dbraw/zinc/95/74/98/1055957498.db2.gz KEVCNCWJUYHXGH-UHFFFAOYSA-N 1 2 334.345 4.276 20 30 EIEDLO Cc1cccn2c(/C=C3/COc4ccc(C(C)C)cc4C3=O)c[nH+]c12 ZINC000741467129 1058223248 /nfs/dbraw/zinc/22/32/48/1058223248.db2.gz HDMOLUVTYKLMIK-SXGWCWSVSA-N 1 2 332.403 4.425 20 30 EIEDLO COc1cccc2cc(C(=O)/C=C\c3c[nH+]c4c(C)cccn34)oc21 ZINC000741471441 1058226408 /nfs/dbraw/zinc/22/64/08/1058226408.db2.gz MDALCLPMVSWPMO-HJWRWDBZSA-N 1 2 332.359 4.294 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000743045287 1058849718 /nfs/dbraw/zinc/84/97/18/1058849718.db2.gz DIRYTSJQMJHPBA-GNCZZYFXSA-N 1 2 339.435 4.296 20 30 EIEDLO Brc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000745988778 1059956892 /nfs/dbraw/zinc/95/68/92/1059956892.db2.gz KZULPVDTIASYMS-UHFFFAOYSA-N 1 2 341.212 4.081 20 30 EIEDLO N#Cc1ccc(-c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)o1 ZINC001169003839 1060573704 /nfs/dbraw/zinc/57/37/04/1060573704.db2.gz ITKPMUOJJQGTDH-UHFFFAOYSA-N 1 2 328.375 4.121 20 30 EIEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001169188304 1060678165 /nfs/dbraw/zinc/67/81/65/1060678165.db2.gz RWGMFIVIDZYDSS-ZDUSSCGKSA-N 1 2 346.352 4.360 20 30 EIEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001169188304 1060678172 /nfs/dbraw/zinc/67/81/72/1060678172.db2.gz RWGMFIVIDZYDSS-ZDUSSCGKSA-N 1 2 346.352 4.360 20 30 EIEDLO N#CC1([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CCCCCC1 ZINC001169273935 1060733523 /nfs/dbraw/zinc/73/35/23/1060733523.db2.gz ZWYBYENAPGKXMI-UHFFFAOYSA-N 1 2 340.467 4.361 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103309285 1060868693 /nfs/dbraw/zinc/86/86/93/1060868693.db2.gz XXXMIYUQNMOOMH-KRWDZBQOSA-N 1 2 334.508 4.226 20 30 EIEDLO N#CC12CCC(Nc3[nH]c4ccc(Br)cc4[nH+]3)(CC1)CC2 ZINC001169750574 1060928232 /nfs/dbraw/zinc/92/82/32/1060928232.db2.gz GIUWFPNYGTYDQI-UHFFFAOYSA-N 1 2 345.244 4.354 20 30 EIEDLO N#CC12CCC(Nc3[nH]c4cc(Br)ccc4[nH+]3)(CC1)CC2 ZINC001169750574 1060928247 /nfs/dbraw/zinc/92/82/47/1060928247.db2.gz GIUWFPNYGTYDQI-UHFFFAOYSA-N 1 2 345.244 4.354 20 30 EIEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3ccccc3)c[nH+]c12 ZINC000783697475 1032380674 /nfs/dbraw/zinc/38/06/74/1032380674.db2.gz QXUPGNZFONLPNH-FPLPWBNLSA-N 1 2 341.208 4.301 20 30 EIEDLO N#Cc1ccc2c(c1)CC/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783710121 1032561696 /nfs/dbraw/zinc/56/16/96/1032561696.db2.gz ACLLPBHNBMHUGE-OVCLIPMQSA-N 1 2 331.400 4.018 20 30 EIEDLO C=CCCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000274776672 1019449073 /nfs/dbraw/zinc/44/90/73/1019449073.db2.gz DUKSOTARVAFAKH-UHFFFAOYSA-N 1 2 336.439 4.080 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000127018592 1019568195 /nfs/dbraw/zinc/56/81/95/1019568195.db2.gz GBMFNUKOLZXKQP-GOSISDBHSA-N 1 2 336.464 4.326 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000127018592 1019568210 /nfs/dbraw/zinc/56/82/10/1019568210.db2.gz GBMFNUKOLZXKQP-GOSISDBHSA-N 1 2 336.464 4.326 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)c(Br)c1 ZINC000255117144 1020988717 /nfs/dbraw/zinc/98/87/17/1020988717.db2.gz AEJULDNMCLYBOG-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140794865 1022162584 /nfs/dbraw/zinc/16/25/84/1022162584.db2.gz CZIICOYJVQEMKE-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140794865 1022162611 /nfs/dbraw/zinc/16/26/11/1022162611.db2.gz CZIICOYJVQEMKE-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO COc1cccc(C=C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000472927494 1022215688 /nfs/dbraw/zinc/21/56/88/1022215688.db2.gz MLKDMCJSTZJVSU-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(Br)ccc1F ZINC000180316040 1022520323 /nfs/dbraw/zinc/52/03/23/1022520323.db2.gz YGMCTOUXQFTDAY-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO N#C[C@H]1[N@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925178 1022978421 /nfs/dbraw/zinc/97/84/21/1022978421.db2.gz JCYYCCAOXBLXPL-BHUNQDJPSA-N 1 2 344.421 4.282 20 30 EIEDLO N#C[C@H]1[N@@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925178 1022978448 /nfs/dbraw/zinc/97/84/48/1022978448.db2.gz JCYYCCAOXBLXPL-BHUNQDJPSA-N 1 2 344.421 4.282 20 30 EIEDLO CC1(C#N)CCC(Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000581469117 1023249302 /nfs/dbraw/zinc/24/93/02/1023249302.db2.gz UDDFEQNADGCZQI-UHFFFAOYSA-N 1 2 332.451 4.486 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001167465186 1023265536 /nfs/dbraw/zinc/26/55/36/1023265536.db2.gz VVJJMPJZBVZCAQ-VQTJNVASSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001167465186 1023265552 /nfs/dbraw/zinc/26/55/52/1023265552.db2.gz VVJJMPJZBVZCAQ-VQTJNVASSA-N 1 2 335.838 4.483 20 30 EIEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCC1 ZINC000418143759 1023556680 /nfs/dbraw/zinc/55/66/80/1023556680.db2.gz QXJMEQYVMZGIIO-UHFFFAOYSA-N 1 2 341.842 4.097 20 30 EIEDLO N#Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1 ZINC000891770413 1023966569 /nfs/dbraw/zinc/96/65/69/1023966569.db2.gz JJZNGGOTKZAFJL-AOOOYVTPSA-N 1 2 342.308 4.182 20 30 EIEDLO N#Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1 ZINC000891770413 1023966579 /nfs/dbraw/zinc/96/65/79/1023966579.db2.gz JJZNGGOTKZAFJL-AOOOYVTPSA-N 1 2 342.308 4.182 20 30 EIEDLO C=CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H](C)COC ZINC000661243345 1024011832 /nfs/dbraw/zinc/01/18/32/1024011832.db2.gz JITPLYVXPBZCBV-ZDUSSCGKSA-N 1 2 334.847 4.326 20 30 EIEDLO C=CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H](C)COC ZINC000661243345 1024011851 /nfs/dbraw/zinc/01/18/51/1024011851.db2.gz JITPLYVXPBZCBV-ZDUSSCGKSA-N 1 2 334.847 4.326 20 30 EIEDLO Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c[nH+]1 ZINC000535748490 1024913254 /nfs/dbraw/zinc/91/32/54/1024913254.db2.gz NELXZFNCSHSAHA-UHFFFAOYSA-N 1 2 343.386 4.037 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278866765 1025201833 /nfs/dbraw/zinc/20/18/33/1025201833.db2.gz GVKWWFLVTZSDCE-QMMMGPOBSA-N 1 2 329.322 4.023 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)ccn1 ZINC000610995341 1025244247 /nfs/dbraw/zinc/24/42/47/1025244247.db2.gz VIGUTSPAPSYIOA-GOSISDBHSA-N 1 2 337.473 4.224 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)ccn1 ZINC000610995341 1025244262 /nfs/dbraw/zinc/24/42/62/1025244262.db2.gz VIGUTSPAPSYIOA-GOSISDBHSA-N 1 2 337.473 4.224 20 30 EIEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@H](C)c1ccc(C#N)cc1 ZINC000065228353 1025258020 /nfs/dbraw/zinc/25/80/20/1025258020.db2.gz VGRQNAPSPPRPEV-CQSZACIVSA-N 1 2 345.402 4.456 20 30 EIEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccccc2Br)o1 ZINC000120091133 1026056261 /nfs/dbraw/zinc/05/62/61/1026056261.db2.gz HPFIRKAQYWEAJH-UHFFFAOYSA-N 1 2 333.229 4.278 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550239645 1026393919 /nfs/dbraw/zinc/39/39/19/1026393919.db2.gz YXGKOQRTBMWBQF-LRDDRELGSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550239645 1026393934 /nfs/dbraw/zinc/39/39/34/1026393934.db2.gz YXGKOQRTBMWBQF-LRDDRELGSA-N 1 2 326.362 4.051 20 30 EIEDLO CC(C)c1ncc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000440483478 1026586114 /nfs/dbraw/zinc/58/61/14/1026586114.db2.gz RFZGMWWRUIYDQP-UHFFFAOYSA-N 1 2 347.384 4.102 20 30 EIEDLO CC(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000440483478 1026586122 /nfs/dbraw/zinc/58/61/22/1026586122.db2.gz RFZGMWWRUIYDQP-UHFFFAOYSA-N 1 2 347.384 4.102 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(F)ccc1C#N)CCC2 ZINC000152495313 1026612914 /nfs/dbraw/zinc/61/29/14/1026612914.db2.gz QKCZPDCZCWOTEL-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(F)ccc1C#N)CCC2 ZINC000152495313 1026612919 /nfs/dbraw/zinc/61/29/19/1026612919.db2.gz QKCZPDCZCWOTEL-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO N#CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCCC1 ZINC000277751418 1026870357 /nfs/dbraw/zinc/87/03/57/1026870357.db2.gz RBBDUAHEIHNKAD-UHFFFAOYSA-N 1 2 348.450 4.299 20 30 EIEDLO C=C1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000441310891 1027440833 /nfs/dbraw/zinc/44/08/33/1027440833.db2.gz MBIGFIDKEAYAJH-UHFFFAOYSA-N 1 2 333.229 4.256 20 30 EIEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727883 1027523859 /nfs/dbraw/zinc/52/38/59/1027523859.db2.gz WQPWRXVJFHPKAC-ZIAGYGMSSA-N 1 2 332.407 4.329 20 30 EIEDLO C[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1=O ZINC000328903419 1027822660 /nfs/dbraw/zinc/82/26/60/1027822660.db2.gz HWDZMVAWCSLNHH-VXGBXAGGSA-N 1 2 331.803 4.119 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1C(C)(C)C ZINC000583170850 1028160941 /nfs/dbraw/zinc/16/09/41/1028160941.db2.gz PODUBSSIMWEVPD-UHFFFAOYSA-N 1 2 343.519 4.073 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1C(C)(C)C ZINC000583170850 1028160958 /nfs/dbraw/zinc/16/09/58/1028160958.db2.gz PODUBSSIMWEVPD-UHFFFAOYSA-N 1 2 343.519 4.073 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000330327242 1028458672 /nfs/dbraw/zinc/45/86/72/1028458672.db2.gz KUXXBDOZBQOCHQ-WBVHZDCISA-N 1 2 333.476 4.203 20 30 EIEDLO N#CCCCOc1cccc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155948038 1028592488 /nfs/dbraw/zinc/59/24/88/1028592488.db2.gz UWEFIANBTQRMIZ-UHFFFAOYSA-N 1 2 332.407 4.167 20 30 EIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccccn1 ZINC000444004421 1028725765 /nfs/dbraw/zinc/72/57/65/1028725765.db2.gz XTUIAIWEYHKQMB-QFIPXVFZSA-N 1 2 343.430 4.150 20 30 EIEDLO C=CCC[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343337623 1028989695 /nfs/dbraw/zinc/98/96/95/1028989695.db2.gz ASXLSZGIHWXMGY-IBGZPJMESA-N 1 2 346.434 4.015 20 30 EIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000343338004 1028995309 /nfs/dbraw/zinc/99/53/09/1028995309.db2.gz QMZKYHYXYOVZRS-UHFFFAOYSA-N 1 2 325.460 4.023 20 30 EIEDLO C[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1cc(C#N)ccc1F ZINC000127159102 1029811633 /nfs/dbraw/zinc/81/16/33/1029811633.db2.gz MDBVLPPLNOOKEE-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1cc(C#N)ccc1F ZINC000127159102 1029811634 /nfs/dbraw/zinc/81/16/34/1029811634.db2.gz MDBVLPPLNOOKEE-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447539622 1030144054 /nfs/dbraw/zinc/14/40/54/1030144054.db2.gz HINQZUFJYWRNSE-WOJBJXKFSA-N 1 2 348.425 4.261 20 30 EIEDLO C=CCOc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000121830853 1030450805 /nfs/dbraw/zinc/45/08/05/1030450805.db2.gz SUBDPOZTMIAQEP-UHFFFAOYSA-N 1 2 335.407 4.058 20 30 EIEDLO N#CCCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000399363182 1030747050 /nfs/dbraw/zinc/74/70/50/1030747050.db2.gz QZHGYWAMCWFSCH-UHFFFAOYSA-N 1 2 343.215 4.243 20 30 EIEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CCC(C)C)CC2)c(C#N)c1C ZINC001167688309 1031358253 /nfs/dbraw/zinc/35/82/53/1031358253.db2.gz CQMXIOAKGBRFOB-OAHLLOKOSA-N 1 2 345.487 4.243 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449050055 1031401245 /nfs/dbraw/zinc/40/12/45/1031401245.db2.gz SUKLCDJQZHLUHU-SFTDATJTSA-N 1 2 334.467 4.270 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449050055 1031401257 /nfs/dbraw/zinc/40/12/57/1031401257.db2.gz SUKLCDJQZHLUHU-SFTDATJTSA-N 1 2 334.467 4.270 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000365256389 1031575679 /nfs/dbraw/zinc/57/56/79/1031575679.db2.gz NIBGLSHVKFWLEA-OAQYLSRUSA-N 1 2 349.384 4.453 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000365256389 1031575688 /nfs/dbraw/zinc/57/56/88/1031575688.db2.gz NIBGLSHVKFWLEA-OAQYLSRUSA-N 1 2 349.384 4.453 20 30 EIEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000573532043 1033390114 /nfs/dbraw/zinc/39/01/14/1033390114.db2.gz IWIHRSADUIHTOU-UHFFFAOYSA-N 1 2 349.312 4.117 20 30 EIEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000573532043 1033390130 /nfs/dbraw/zinc/39/01/30/1033390130.db2.gz IWIHRSADUIHTOU-UHFFFAOYSA-N 1 2 349.312 4.117 20 30 EIEDLO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610798 1033493864 /nfs/dbraw/zinc/49/38/64/1033493864.db2.gz FBHRKMQAFCZLDG-KBPBESRZSA-N 1 2 336.414 4.479 20 30 EIEDLO N#Cc1csc(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 ZINC000573769291 1033598321 /nfs/dbraw/zinc/59/83/21/1033598321.db2.gz OZZVGULJKDTWKG-FQEVSTJZSA-N 1 2 345.471 4.357 20 30 EIEDLO N#Cc1csc(C[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 ZINC000573769291 1033598334 /nfs/dbraw/zinc/59/83/34/1033598334.db2.gz OZZVGULJKDTWKG-FQEVSTJZSA-N 1 2 345.471 4.357 20 30 EIEDLO N#CCCC[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000433014351 1033673053 /nfs/dbraw/zinc/67/30/53/1033673053.db2.gz RYVCGAVCRDPPGC-IBGZPJMESA-N 1 2 346.434 4.185 20 30 EIEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC2(C#N)CCCCC2)c(C)c1 ZINC000411187438 1033719517 /nfs/dbraw/zinc/71/95/17/1033719517.db2.gz RXNPTYQXHKPLNA-UHFFFAOYSA-N 1 2 341.499 4.346 20 30 EIEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC2(C#N)CCCCC2)c(C)c1 ZINC000411187438 1033719534 /nfs/dbraw/zinc/71/95/34/1033719534.db2.gz RXNPTYQXHKPLNA-UHFFFAOYSA-N 1 2 341.499 4.346 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000411194011 1033726531 /nfs/dbraw/zinc/72/65/31/1033726531.db2.gz OYEMRBLCEVRWOQ-GOSISDBHSA-N 1 2 347.462 4.190 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000411194011 1033726552 /nfs/dbraw/zinc/72/65/52/1033726552.db2.gz OYEMRBLCEVRWOQ-GOSISDBHSA-N 1 2 347.462 4.190 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](CC)C[C@H](C)C#N)o2)cc1 ZINC000614231874 1033855454 /nfs/dbraw/zinc/85/54/54/1033855454.db2.gz NUUQOFRRWMWYMT-OAHLLOKOSA-N 1 2 340.423 4.105 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CC)C[C@H](C)C#N)o2)cc1 ZINC000614231874 1033855462 /nfs/dbraw/zinc/85/54/62/1033855462.db2.gz NUUQOFRRWMWYMT-OAHLLOKOSA-N 1 2 340.423 4.105 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509798658 1033885350 /nfs/dbraw/zinc/88/53/50/1033885350.db2.gz JCVZKPJQLWOZDT-GOSISDBHSA-N 1 2 344.462 4.439 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509798658 1033885352 /nfs/dbraw/zinc/88/53/52/1033885352.db2.gz JCVZKPJQLWOZDT-GOSISDBHSA-N 1 2 344.462 4.439 20 30 EIEDLO CC(C)(CC#N)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000419342182 1034367686 /nfs/dbraw/zinc/36/76/86/1034367686.db2.gz AHCOJPYMHZGECU-GOSISDBHSA-N 1 2 346.434 4.355 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)cc1 ZINC000614406172 1034553567 /nfs/dbraw/zinc/55/35/67/1034553567.db2.gz UFXGGGOGGBQPFQ-HNNXBMFYSA-N 1 2 346.434 4.330 20 30 EIEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1c(F)cncc1F ZINC000513272263 1034863330 /nfs/dbraw/zinc/86/33/30/1034863330.db2.gz POQQEXNFGVJOHB-NSHDSACASA-N 1 2 340.295 4.081 20 30 EIEDLO C#CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)[C@H]1CCc2ccccc21 ZINC000490877048 1035705737 /nfs/dbraw/zinc/70/57/37/1035705737.db2.gz WCBCUDRJJMDUQA-OALUTQOASA-N 1 2 338.476 4.117 20 30 EIEDLO C#CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)[C@H]1CCc2ccccc21 ZINC000490877048 1035705759 /nfs/dbraw/zinc/70/57/59/1035705759.db2.gz WCBCUDRJJMDUQA-OALUTQOASA-N 1 2 338.476 4.117 20 30 EIEDLO CC(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1F ZINC000595693652 1035765915 /nfs/dbraw/zinc/76/59/15/1035765915.db2.gz RVCOQYYETIHKBI-SFHVURJKSA-N 1 2 327.359 4.092 20 30 EIEDLO CC[N@H+](Cc1nccn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477308 1036135033 /nfs/dbraw/zinc/13/50/33/1036135033.db2.gz JGMMMVCGSGRZAK-GOSISDBHSA-N 1 2 344.462 4.386 20 30 EIEDLO CC[N@@H+](Cc1nccn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477308 1036135053 /nfs/dbraw/zinc/13/50/53/1036135053.db2.gz JGMMMVCGSGRZAK-GOSISDBHSA-N 1 2 344.462 4.386 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602475920 1036454882 /nfs/dbraw/zinc/45/48/82/1036454882.db2.gz TXNJAOVYTICBGQ-FQEVSTJZSA-N 1 2 345.450 4.221 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475920 1036454890 /nfs/dbraw/zinc/45/48/90/1036454890.db2.gz TXNJAOVYTICBGQ-FQEVSTJZSA-N 1 2 345.450 4.221 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)Cc1cccs1 ZINC000060942762 1036684852 /nfs/dbraw/zinc/68/48/52/1036684852.db2.gz FYJXLFSXOZQPTG-MRXNPFEDSA-N 1 2 342.508 4.176 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)Cc1cccs1 ZINC000060942762 1036684861 /nfs/dbraw/zinc/68/48/61/1036684861.db2.gz FYJXLFSXOZQPTG-MRXNPFEDSA-N 1 2 342.508 4.176 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000486776212 1036849102 /nfs/dbraw/zinc/84/91/02/1036849102.db2.gz PHUHEOUKTPWDGC-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000486776212 1036849103 /nfs/dbraw/zinc/84/91/03/1036849103.db2.gz PHUHEOUKTPWDGC-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000589990950 1036927605 /nfs/dbraw/zinc/92/76/05/1036927605.db2.gz TYJWJVXLRLQBIJ-UHFFFAOYSA-N 1 2 345.215 4.239 20 30 EIEDLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272646761 1037259284 /nfs/dbraw/zinc/25/92/84/1037259284.db2.gz YMZLJDQJQZNIAO-LBPRGKRZSA-N 1 2 330.819 4.077 20 30 EIEDLO C=CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000605075864 1037652070 /nfs/dbraw/zinc/65/20/70/1037652070.db2.gz RUSWBQNQTPQVMT-UHFFFAOYSA-N 1 2 342.512 4.312 20 30 EIEDLO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccc(Cl)cc2Cl)nn1 ZINC000424297022 1038774427 /nfs/dbraw/zinc/77/44/27/1038774427.db2.gz POUHNVVZAZMZPY-INIZCTEOSA-N 1 2 339.270 4.402 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](Cc2ccc(C)s2)C(C)C)c1=S ZINC000064028157 1038955980 /nfs/dbraw/zinc/95/59/80/1038955980.db2.gz VAOBIPJBMDBVAW-UHFFFAOYSA-N 1 2 336.530 4.147 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](Cc2ccc(C)s2)C(C)C)c1=S ZINC000064028157 1038955998 /nfs/dbraw/zinc/95/59/98/1038955998.db2.gz VAOBIPJBMDBVAW-UHFFFAOYSA-N 1 2 336.530 4.147 20 30 EIEDLO CC[C@H](CC#N)[NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000600150224 1039331143 /nfs/dbraw/zinc/33/11/43/1039331143.db2.gz BAPVAXNSYNOUTG-OAHLLOKOSA-N 1 2 338.386 4.048 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1C#N ZINC000534473009 1039496674 /nfs/dbraw/zinc/49/66/74/1039496674.db2.gz WKABBPRXJVBRQY-GOSISDBHSA-N 1 2 338.407 4.055 20 30 EIEDLO COC(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)c1C#N ZINC000534473009 1039496706 /nfs/dbraw/zinc/49/67/06/1039496706.db2.gz WKABBPRXJVBRQY-GOSISDBHSA-N 1 2 338.407 4.055 20 30 EIEDLO COc1cccc(C[N@H+](CCC#N)CCC(C)C)c1OC(F)F ZINC000093100857 1039629523 /nfs/dbraw/zinc/62/95/23/1039629523.db2.gz VEXDPCHCJIEJBR-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO COc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1OC(F)F ZINC000093100857 1039629545 /nfs/dbraw/zinc/62/95/45/1039629545.db2.gz VEXDPCHCJIEJBR-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550940058 1039832830 /nfs/dbraw/zinc/83/28/30/1039832830.db2.gz VOHAAEWTTRZSCR-SZMVWBNQSA-N 1 2 339.426 4.351 20 30 EIEDLO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc(OC)c1O ZINC000430107882 1039849272 /nfs/dbraw/zinc/84/92/72/1039849272.db2.gz UZEPFQQKLGHTMJ-HXUWFJFHSA-N 1 2 338.451 4.107 20 30 EIEDLO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc(OC)c1O ZINC000430107882 1039849275 /nfs/dbraw/zinc/84/92/75/1039849275.db2.gz UZEPFQQKLGHTMJ-HXUWFJFHSA-N 1 2 338.451 4.107 20 30 EIEDLO CC(C)[N@H+](CCC#N)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535077241 1039948125 /nfs/dbraw/zinc/94/81/25/1039948125.db2.gz HGMBKCHXLBCNAN-UHFFFAOYSA-N 1 2 325.239 4.393 20 30 EIEDLO CC(C)[N@@H+](CCC#N)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535077241 1039948139 /nfs/dbraw/zinc/94/81/39/1039948139.db2.gz HGMBKCHXLBCNAN-UHFFFAOYSA-N 1 2 325.239 4.393 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1cccs1 ZINC000514744954 1040212800 /nfs/dbraw/zinc/21/28/00/1040212800.db2.gz QHKLKYGREUMEPO-FQEVSTJZSA-N 1 2 342.508 4.250 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1cccs1 ZINC000514744954 1040212806 /nfs/dbraw/zinc/21/28/06/1040212806.db2.gz QHKLKYGREUMEPO-FQEVSTJZSA-N 1 2 342.508 4.250 20 30 EIEDLO CC#CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000462328229 1040481811 /nfs/dbraw/zinc/48/18/11/1040481811.db2.gz RMIWJCMHGJOXFX-MRXNPFEDSA-N 1 2 339.266 4.200 20 30 EIEDLO CC#CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000462328229 1040481816 /nfs/dbraw/zinc/48/18/16/1040481816.db2.gz RMIWJCMHGJOXFX-MRXNPFEDSA-N 1 2 339.266 4.200 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000160788107 1040758134 /nfs/dbraw/zinc/75/81/34/1040758134.db2.gz WNEZNRGEICFQCJ-INIZCTEOSA-N 1 2 346.434 4.418 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000160788107 1040758154 /nfs/dbraw/zinc/75/81/54/1040758154.db2.gz WNEZNRGEICFQCJ-INIZCTEOSA-N 1 2 346.434 4.418 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824154 1040805753 /nfs/dbraw/zinc/80/57/53/1040805753.db2.gz ZPIFYXDSZLMNKQ-OALUTQOASA-N 1 2 335.407 4.175 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824154 1040805763 /nfs/dbraw/zinc/80/57/63/1040805763.db2.gz ZPIFYXDSZLMNKQ-OALUTQOASA-N 1 2 335.407 4.175 20 30 EIEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)[C@H](c1ccccc1)C2 ZINC000539822453 1040817104 /nfs/dbraw/zinc/81/71/04/1040817104.db2.gz CUPLVKDGPDBVHC-QFIPXVFZSA-N 1 2 344.414 4.459 20 30 EIEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)[C@H](c1ccccc1)C2 ZINC000539822453 1040817109 /nfs/dbraw/zinc/81/71/09/1040817109.db2.gz CUPLVKDGPDBVHC-QFIPXVFZSA-N 1 2 344.414 4.459 20 30 EIEDLO C=C(CC)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000540216855 1041280109 /nfs/dbraw/zinc/28/01/09/1041280109.db2.gz JVDCZRGPYQJYFT-CYBMUJFWSA-N 1 2 334.464 4.087 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000480497229 1041335696 /nfs/dbraw/zinc/33/56/96/1041335696.db2.gz FDIXFMLRIYRLFX-KRWDZBQOSA-N 1 2 346.883 4.454 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000480497229 1041335712 /nfs/dbraw/zinc/33/57/12/1041335712.db2.gz FDIXFMLRIYRLFX-KRWDZBQOSA-N 1 2 346.883 4.454 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000437600618 1041855119 /nfs/dbraw/zinc/85/51/19/1041855119.db2.gz DOQKVTSDECFTEA-HXUWFJFHSA-N 1 2 349.865 4.415 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000437600618 1041855124 /nfs/dbraw/zinc/85/51/24/1041855124.db2.gz DOQKVTSDECFTEA-HXUWFJFHSA-N 1 2 349.865 4.415 20 30 EIEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)CCC2 ZINC000366689631 1042104229 /nfs/dbraw/zinc/10/42/29/1042104229.db2.gz RCGROEUTAPCARM-ZDUSSCGKSA-N 1 2 334.345 4.072 20 30 EIEDLO Cc1oc(-c2cccs2)nc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271802485 1042411220 /nfs/dbraw/zinc/41/12/20/1042411220.db2.gz PMDLRJVFHMCMHN-UHFFFAOYSA-N 1 2 335.432 4.362 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000506618201 1042696159 /nfs/dbraw/zinc/69/61/59/1042696159.db2.gz LRGKMDRDYNWMKD-INIZCTEOSA-N 1 2 349.434 4.076 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Br)c(F)c1 ZINC000130220873 1042808081 /nfs/dbraw/zinc/80/80/81/1042808081.db2.gz FEBJXJFDOOJHFT-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)c(C)o1 ZINC000312333749 1043434379 /nfs/dbraw/zinc/43/43/79/1043434379.db2.gz ACNAZHIMYPLOOA-LLVKDONJSA-N 1 2 333.229 4.381 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730147387 1043456447 /nfs/dbraw/zinc/45/64/47/1043456447.db2.gz DBXYDFSGDFJQKH-UHFFFAOYSA-N 1 2 340.770 4.054 20 30 EIEDLO COc1ccc(Cl)cc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000730147480 1043457217 /nfs/dbraw/zinc/45/72/17/1043457217.db2.gz OWMVJSXFZJOZRC-UHFFFAOYSA-N 1 2 325.799 4.155 20 30 EIEDLO CC[N@H+](Cc1nc(CCC(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000068299521 1044208301 /nfs/dbraw/zinc/20/83/01/1044208301.db2.gz BDKGZAQAAVQAFS-OAHLLOKOSA-N 1 2 326.444 4.113 20 30 EIEDLO CC[N@@H+](Cc1nc(CCC(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000068299521 1044208322 /nfs/dbraw/zinc/20/83/22/1044208322.db2.gz BDKGZAQAAVQAFS-OAHLLOKOSA-N 1 2 326.444 4.113 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000347971317 1044334314 /nfs/dbraw/zinc/33/43/14/1044334314.db2.gz GUAIWULFQSVQFC-UHFFFAOYSA-N 1 2 340.430 4.033 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000347971317 1044334332 /nfs/dbraw/zinc/33/43/32/1044334332.db2.gz GUAIWULFQSVQFC-UHFFFAOYSA-N 1 2 340.430 4.033 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000494949012 1044530858 /nfs/dbraw/zinc/53/08/58/1044530858.db2.gz LCRMKCDQDCAQDH-GFCCVEGCSA-N 1 2 348.372 4.220 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000494949012 1044530872 /nfs/dbraw/zinc/53/08/72/1044530872.db2.gz LCRMKCDQDCAQDH-GFCCVEGCSA-N 1 2 348.372 4.220 20 30 EIEDLO Cn1cc(Cl)cc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000466470242 1044562803 /nfs/dbraw/zinc/56/28/03/1044562803.db2.gz HDBRJDMQZUHXFY-UHFFFAOYSA-N 1 2 340.776 4.181 20 30 EIEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000466470242 1044562821 /nfs/dbraw/zinc/56/28/21/1044562821.db2.gz HDBRJDMQZUHXFY-UHFFFAOYSA-N 1 2 340.776 4.181 20 30 EIEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735305671 1044788845 /nfs/dbraw/zinc/78/88/45/1044788845.db2.gz BPELJFUEOSACCA-GFCCVEGCSA-N 1 2 332.856 4.423 20 30 EIEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735305671 1044788857 /nfs/dbraw/zinc/78/88/57/1044788857.db2.gz BPELJFUEOSACCA-GFCCVEGCSA-N 1 2 332.856 4.423 20 30 EIEDLO Cc1cc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccc1C#N ZINC001211884701 1044816022 /nfs/dbraw/zinc/81/60/22/1044816022.db2.gz HHJDEBWEWQZCND-OALUTQOASA-N 1 2 344.418 4.473 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429294266 1044906672 /nfs/dbraw/zinc/90/66/72/1044906672.db2.gz QLFFDJCIXRSNSI-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429294266 1044906690 /nfs/dbraw/zinc/90/66/90/1044906690.db2.gz QLFFDJCIXRSNSI-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331172567 1044934023 /nfs/dbraw/zinc/93/40/23/1044934023.db2.gz OPDVNYQDPFKSST-ZIAGYGMSSA-N 1 2 339.361 4.045 20 30 EIEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331172567 1044934031 /nfs/dbraw/zinc/93/40/31/1044934031.db2.gz OPDVNYQDPFKSST-ZIAGYGMSSA-N 1 2 339.361 4.045 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000428984639 1044957503 /nfs/dbraw/zinc/95/75/03/1044957503.db2.gz YBRMPDDPHMYWGH-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000428984639 1044957517 /nfs/dbraw/zinc/95/75/17/1044957517.db2.gz YBRMPDDPHMYWGH-UHFFFAOYSA-N 1 2 345.421 4.337 20 30 EIEDLO CCOc1cccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443791 1045007094 /nfs/dbraw/zinc/00/70/94/1045007094.db2.gz KWKHIVZFQLNNBX-BQYQJAHWSA-N 1 2 326.783 4.283 20 30 EIEDLO C=CCn1c(=S)n(C[NH+]2CCC3(CCCC3)CC2)nc1C1CC1 ZINC000738282905 1045048056 /nfs/dbraw/zinc/04/80/56/1045048056.db2.gz NFGBAZFMYVNYEW-UHFFFAOYSA-N 1 2 332.517 4.091 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@H](CC)CC2)c1=S ZINC000738253082 1045053523 /nfs/dbraw/zinc/05/35/23/1045053523.db2.gz DEBMDPQNMFOCDG-HNNXBMFYSA-N 1 2 346.500 4.330 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@H](CC)CC2)c1=S ZINC000738253082 1045053534 /nfs/dbraw/zinc/05/35/34/1045053534.db2.gz DEBMDPQNMFOCDG-HNNXBMFYSA-N 1 2 346.500 4.330 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861698 1045231733 /nfs/dbraw/zinc/23/17/33/1045231733.db2.gz XYQHMFIWWSUFMS-ZIAGYGMSSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861698 1045231743 /nfs/dbraw/zinc/23/17/43/1045231743.db2.gz XYQHMFIWWSUFMS-ZIAGYGMSSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861646 1045232604 /nfs/dbraw/zinc/23/26/04/1045232604.db2.gz QNUYGQXDUJTJMP-ZIAGYGMSSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861646 1045232610 /nfs/dbraw/zinc/23/26/10/1045232610.db2.gz QNUYGQXDUJTJMP-ZIAGYGMSSA-N 1 2 346.475 4.094 20 30 EIEDLO CC(=[NH+]Nc1ccc(Cl)cc1)c1c(F)cccc1N1CCOCC1 ZINC000741160359 1045277499 /nfs/dbraw/zinc/27/74/99/1045277499.db2.gz YDUSWIGZJSKOEZ-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)c1=S ZINC000763241627 1045789320 /nfs/dbraw/zinc/78/93/20/1045789320.db2.gz OYFTYVAHGBZKMT-SFHVURJKSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)c1=S ZINC000763241627 1045789335 /nfs/dbraw/zinc/78/93/35/1045789335.db2.gz OYFTYVAHGBZKMT-SFHVURJKSA-N 1 2 342.512 4.121 20 30 EIEDLO C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCCCCC1 ZINC000915979165 1045851976 /nfs/dbraw/zinc/85/19/76/1045851976.db2.gz DHAYLDZJFDTRKM-MKFNJMOCSA-N 1 2 329.271 4.382 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)c(C)c1 ZINC000769189830 1045884059 /nfs/dbraw/zinc/88/40/59/1045884059.db2.gz VUBOLPJNJGXMBS-UHFFFAOYSA-N 1 2 331.803 4.140 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)c(C)c1 ZINC000769189830 1045884048 /nfs/dbraw/zinc/88/40/48/1045884048.db2.gz VUBOLPJNJGXMBS-UHFFFAOYSA-N 1 2 331.803 4.140 20 30 EIEDLO C=C(Cl)COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000769606232 1046031285 /nfs/dbraw/zinc/03/12/85/1046031285.db2.gz COSBYJKCDVVNDW-YFHOEESVSA-N 1 2 338.794 4.362 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(-c2ccncc2)cc1 ZINC000769608561 1046032653 /nfs/dbraw/zinc/03/26/53/1046032653.db2.gz CVXJQSYTIZKDRJ-HJWRWDBZSA-N 1 2 325.371 4.292 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227723 1046175661 /nfs/dbraw/zinc/17/56/61/1046175661.db2.gz VDVZSYCZJGYUHR-UHFFFAOYSA-N 1 2 341.367 4.081 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227723 1046175665 /nfs/dbraw/zinc/17/56/65/1046175665.db2.gz VDVZSYCZJGYUHR-UHFFFAOYSA-N 1 2 341.367 4.081 20 30 EIEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770382514 1046188493 /nfs/dbraw/zinc/18/84/93/1046188493.db2.gz GFBHTXPVIYNRAU-HXUWFJFHSA-N 1 2 340.854 4.402 20 30 EIEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770382514 1046188497 /nfs/dbraw/zinc/18/84/97/1046188497.db2.gz GFBHTXPVIYNRAU-HXUWFJFHSA-N 1 2 340.854 4.402 20 30 EIEDLO C#CCCOc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000770529558 1046220103 /nfs/dbraw/zinc/22/01/03/1046220103.db2.gz PAELQQGFXLPXPD-UHFFFAOYSA-N 1 2 335.382 4.026 20 30 EIEDLO C[C@@H]1C[C@@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000459439633 1046685256 /nfs/dbraw/zinc/68/52/56/1046685256.db2.gz WDLRNSLMXLWDOR-XIKOKIGWSA-N 1 2 341.798 4.145 20 30 EIEDLO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C#N)cc2)c1 ZINC000459475267 1046722827 /nfs/dbraw/zinc/72/28/27/1046722827.db2.gz ZNTZNLMMBOQKCX-OXJNMPFZSA-N 1 2 349.434 4.008 20 30 EIEDLO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592189 1046803623 /nfs/dbraw/zinc/80/36/23/1046803623.db2.gz MTPUSNNADQKWBP-INIZCTEOSA-N 1 2 348.903 4.390 20 30 EIEDLO N#CCSCCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592189 1046803626 /nfs/dbraw/zinc/80/36/26/1046803626.db2.gz MTPUSNNADQKWBP-INIZCTEOSA-N 1 2 348.903 4.390 20 30 EIEDLO Cc1nc(F)ccc1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000787129477 1046921343 /nfs/dbraw/zinc/92/13/43/1046921343.db2.gz SONDAXSHTUVOIS-GHMZBOCLSA-N 1 2 344.274 4.092 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000747453653 1047596244 /nfs/dbraw/zinc/59/62/44/1047596244.db2.gz GTAHABDXTGZZNW-UHFFFAOYSA-N 1 2 340.496 4.197 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000747453653 1047596251 /nfs/dbraw/zinc/59/62/51/1047596251.db2.gz GTAHABDXTGZZNW-UHFFFAOYSA-N 1 2 340.496 4.197 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072700752 1048053044 /nfs/dbraw/zinc/05/30/44/1048053044.db2.gz KAEKGLZBPRMDLN-UHFFFAOYSA-N 1 2 339.464 4.050 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000072700752 1048053063 /nfs/dbraw/zinc/05/30/63/1048053063.db2.gz KAEKGLZBPRMDLN-UHFFFAOYSA-N 1 2 339.464 4.050 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000499047852 1048100838 /nfs/dbraw/zinc/10/08/38/1048100838.db2.gz JYTULWUWYZDQDW-CYBMUJFWSA-N 1 2 334.872 4.417 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000499047852 1048100841 /nfs/dbraw/zinc/10/08/41/1048100841.db2.gz JYTULWUWYZDQDW-CYBMUJFWSA-N 1 2 334.872 4.417 20 30 EIEDLO CC(=[NH+]Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N ZINC000814750856 1048159865 /nfs/dbraw/zinc/15/98/65/1048159865.db2.gz BAPDAOHJDCAOSX-UHFFFAOYSA-N 1 2 339.182 4.320 20 30 EIEDLO CC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1cc(N)ccc1F ZINC000814793063 1048171705 /nfs/dbraw/zinc/17/17/05/1048171705.db2.gz WHKJTAHOUYUCKG-UHFFFAOYSA-N 1 2 327.281 4.143 20 30 EIEDLO CC(=[NH+]Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814882649 1048229925 /nfs/dbraw/zinc/22/99/25/1048229925.db2.gz UMOWLYVVDRJSPW-UHFFFAOYSA-N 1 2 338.289 4.032 20 30 EIEDLO CC(C)[Si](C#C[NH2+][C@@H]1NC(=O)c2ccccc21)(C(C)C)C(C)C ZINC001171125245 1048330986 /nfs/dbraw/zinc/33/09/86/1048330986.db2.gz HCACKLIFRMUEKB-GOSISDBHSA-N 1 2 328.532 4.197 20 30 EIEDLO C=C[C@@H](CC)CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099580 1048421787 /nfs/dbraw/zinc/42/17/87/1048421787.db2.gz YHUYHOPFJHOFCW-HNNXBMFYSA-N 1 2 340.471 4.090 20 30 EIEDLO C=CCc1cc(C)c[nH+]c1N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001171148800 1048490754 /nfs/dbraw/zinc/49/07/54/1048490754.db2.gz LJXFEXOJLAEGJU-MRXNPFEDSA-N 1 2 336.357 4.283 20 30 EIEDLO CN(CCC#N)c1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000809771567 1048503914 /nfs/dbraw/zinc/50/39/14/1048503914.db2.gz MBSOLMMNKQIDNW-UHFFFAOYSA-N 1 2 325.843 4.206 20 30 EIEDLO CN(CCC#N)c1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000809771567 1048503934 /nfs/dbraw/zinc/50/39/34/1048503934.db2.gz MBSOLMMNKQIDNW-UHFFFAOYSA-N 1 2 325.843 4.206 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@H](C)COCc2ccccc2)c1 ZINC000920173269 1048571847 /nfs/dbraw/zinc/57/18/47/1048571847.db2.gz BLFNZGIFSAAANW-JHDSZEHQSA-N 1 2 327.424 4.063 20 30 EIEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000920387140 1048663127 /nfs/dbraw/zinc/66/31/27/1048663127.db2.gz LVSBNCJMNOLWNC-AQWHTGMYSA-N 1 2 339.435 4.378 20 30 EIEDLO [NH2+]=C(Nc1cc(Cl)ncc1Cl)c1ccc2cc(O)ccc2c1 ZINC001171182388 1048673963 /nfs/dbraw/zinc/67/39/63/1048673963.db2.gz LYSZKXOJDPGAFE-UHFFFAOYSA-N 1 2 332.190 4.284 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)cc1 ZINC000542619564 1048734297 /nfs/dbraw/zinc/73/42/97/1048734297.db2.gz HSUBKHIQMJIHDU-HNNXBMFYSA-N 1 2 349.409 4.140 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cc1Br ZINC001144588196 1048741584 /nfs/dbraw/zinc/74/15/84/1048741584.db2.gz LSKSKQIRMZJHHL-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cc1Br ZINC001144588196 1048741598 /nfs/dbraw/zinc/74/15/98/1048741598.db2.gz LSKSKQIRMZJHHL-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO CCOc1ccc(/C=[NH+]\CCCCOCc2ccccc2)c(O)c1 ZINC000747615329 1048829746 /nfs/dbraw/zinc/82/97/46/1048829746.db2.gz TVBSJDFXSWXDES-QNGOZBTKSA-N 1 2 327.424 4.207 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000811516012 1049102495 /nfs/dbraw/zinc/10/24/95/1049102495.db2.gz AOTPDWFYTNVRCM-HNNXBMFYSA-N 1 2 335.190 4.366 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1ccc(Cl)cc1 ZINC000811516254 1049131164 /nfs/dbraw/zinc/13/11/64/1049131164.db2.gz HVTGOODBUNPPNR-YJYMSZOUSA-N 1 2 341.838 4.136 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1Br ZINC000128696990 1049307101 /nfs/dbraw/zinc/30/71/01/1049307101.db2.gz IMNXBFVSNGEWMC-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1Br ZINC000128696990 1049307114 /nfs/dbraw/zinc/30/71/14/1049307114.db2.gz IMNXBFVSNGEWMC-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO N#CC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000610003132 1049473223 /nfs/dbraw/zinc/47/32/23/1049473223.db2.gz DVLFSEOLSSURIN-UHFFFAOYSA-N 1 2 326.362 4.242 20 30 EIEDLO N#CC[N@H+](CCCOc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000610003132 1049473241 /nfs/dbraw/zinc/47/32/41/1049473241.db2.gz DVLFSEOLSSURIN-UHFFFAOYSA-N 1 2 326.362 4.242 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136342767 1049513820 /nfs/dbraw/zinc/51/38/20/1049513820.db2.gz CAQJAAVVGRQRCP-MRXNPFEDSA-N 1 2 343.471 4.304 20 30 EIEDLO COC(=O)[C@H]([NH2+]C1CCC(CC#N)CC1)c1cccc2ccccc21 ZINC001173330964 1050423017 /nfs/dbraw/zinc/42/30/17/1050423017.db2.gz XYEZAIPIRKGMNY-MKJPBZQASA-N 1 2 336.435 4.116 20 30 EIEDLO CCCCCCCCS(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001188012997 1050678056 /nfs/dbraw/zinc/67/80/56/1050678056.db2.gz NETKRTWVDMNBCG-UHFFFAOYSA-N 1 2 349.500 4.034 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590322 1050761999 /nfs/dbraw/zinc/76/19/99/1050761999.db2.gz WFDZYZHYOVHQBK-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590322 1050762015 /nfs/dbraw/zinc/76/20/15/1050762015.db2.gz WFDZYZHYOVHQBK-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1Cl ZINC001179845380 1050798334 /nfs/dbraw/zinc/79/83/34/1050798334.db2.gz RRXARTMGNPCQJU-HXUWFJFHSA-N 1 2 339.870 4.031 20 30 EIEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000619511422 1050800113 /nfs/dbraw/zinc/80/01/13/1050800113.db2.gz VDAPEKPASDQXDN-OAHLLOKOSA-N 1 2 348.475 4.051 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1N(C)C ZINC001180174518 1050893885 /nfs/dbraw/zinc/89/38/85/1050893885.db2.gz NOOZSTOVUIMPHM-UHFFFAOYSA-N 1 2 334.385 4.358 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1N(C)C ZINC001180174518 1050893891 /nfs/dbraw/zinc/89/38/91/1050893891.db2.gz NOOZSTOVUIMPHM-UHFFFAOYSA-N 1 2 334.385 4.358 20 30 EIEDLO COC(=O)c1cc(C#N)cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174385206 1050949862 /nfs/dbraw/zinc/94/98/62/1050949862.db2.gz LQUQFNNWLSULDS-UHFFFAOYSA-N 1 2 334.379 4.019 20 30 EIEDLO N#Cc1oc2ccccc2c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189737481 1051055167 /nfs/dbraw/zinc/05/51/67/1051055167.db2.gz KDTDWSRHGQHKBO-UHFFFAOYSA-N 1 2 349.390 4.136 20 30 EIEDLO N#Cc1c(NC(=O)c2ccccc2-n2cc[nH+]c2)sc2ccccc12 ZINC001190075542 1051119334 /nfs/dbraw/zinc/11/93/34/1051119334.db2.gz WOARCYCBLVVDNK-UHFFFAOYSA-N 1 2 344.399 4.211 20 30 EIEDLO COc1ccc(F)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181211 1051175012 /nfs/dbraw/zinc/17/50/12/1051175012.db2.gz HNGKHRIFVVSCNX-PHIMTYICSA-N 1 2 345.258 4.007 20 30 EIEDLO COc1ccc(F)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181211 1051175019 /nfs/dbraw/zinc/17/50/19/1051175019.db2.gz HNGKHRIFVVSCNX-PHIMTYICSA-N 1 2 345.258 4.007 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000775398806 1051228734 /nfs/dbraw/zinc/22/87/34/1051228734.db2.gz LZKRJKPZMSJREZ-QGZVFWFLSA-N 1 2 337.810 4.244 20 30 EIEDLO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1OCc1ccccc1 ZINC001175299973 1051494460 /nfs/dbraw/zinc/49/44/60/1051494460.db2.gz ACEJDIWWJCTQIJ-UHFFFAOYSA-N 1 2 343.430 4.164 20 30 EIEDLO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1OCc1ccccc1 ZINC001175299973 1051494462 /nfs/dbraw/zinc/49/44/62/1051494462.db2.gz ACEJDIWWJCTQIJ-UHFFFAOYSA-N 1 2 343.430 4.164 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351506 1051544801 /nfs/dbraw/zinc/54/48/01/1051544801.db2.gz OJPQDGXYVSMCEG-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO Cc1cc(C#N)c(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1Cl ZINC001175713307 1051733873 /nfs/dbraw/zinc/73/38/73/1051733873.db2.gz BSGVJLVNKORMGL-UHFFFAOYSA-N 1 2 326.709 4.260 20 30 EIEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969183 1052135750 /nfs/dbraw/zinc/13/57/50/1052135750.db2.gz XEYYFAZZVQACSJ-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623917932 1052837596 /nfs/dbraw/zinc/83/75/96/1052837596.db2.gz CJHCQGPWXYFUNM-CQSZACIVSA-N 1 2 336.382 4.181 20 30 EIEDLO N#Cc1ccc(C=CNc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001203298478 1053133864 /nfs/dbraw/zinc/13/38/64/1053133864.db2.gz NIMUWKHQOUFVBY-BQYQJAHWSA-N 1 2 339.196 4.051 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794686660 1053268431 /nfs/dbraw/zinc/26/84/31/1053268431.db2.gz CWROASKRGMUQBA-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794686660 1053268451 /nfs/dbraw/zinc/26/84/51/1053268451.db2.gz CWROASKRGMUQBA-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000794699701 1053321530 /nfs/dbraw/zinc/32/15/30/1053321530.db2.gz NWYJUYARFRXOMF-BQYQJAHWSA-N 1 2 340.370 4.120 20 30 EIEDLO CSc1ccc2c(c1)CC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708952 1053335942 /nfs/dbraw/zinc/33/59/42/1053335942.db2.gz VXPZRSHKIVZUHE-LCYFTJDESA-N 1 2 344.505 4.139 20 30 EIEDLO COc1c(C)cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1Cl ZINC000794723651 1053337748 /nfs/dbraw/zinc/33/77/48/1053337748.db2.gz KSACZVOWLFUJJY-VOTSOKGWSA-N 1 2 326.783 4.201 20 30 EIEDLO COc1c(C)cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1Cl ZINC000794723650 1053338424 /nfs/dbraw/zinc/33/84/24/1053338424.db2.gz KSACZVOWLFUJJY-SREVYHEPSA-N 1 2 326.783 4.201 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](CC)CCC)c1=S ZINC000764944195 1053392341 /nfs/dbraw/zinc/39/23/41/1053392341.db2.gz CIEQQEIWUAIFAM-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](CC)CCC)c1=S ZINC000764944195 1053392353 /nfs/dbraw/zinc/39/23/53/1053392353.db2.gz CIEQQEIWUAIFAM-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)o2)cc1 ZINC000173552796 1053476429 /nfs/dbraw/zinc/47/64/29/1053476429.db2.gz DESHYPAEEXPVHZ-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)o2)cc1 ZINC000173552796 1053476435 /nfs/dbraw/zinc/47/64/35/1053476435.db2.gz DESHYPAEEXPVHZ-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO COCCCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866352398 1053698838 /nfs/dbraw/zinc/69/88/38/1053698838.db2.gz QBPRICSGHXQZOV-JXFKEZNVSA-N 1 2 338.451 4.472 20 30 EIEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000775805930 1054030340 /nfs/dbraw/zinc/03/03/40/1054030340.db2.gz IGKWNOQGQQEFTE-XOKHGSTOSA-N 1 2 344.842 4.135 20 30 EIEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123743904 1054250258 /nfs/dbraw/zinc/25/02/58/1054250258.db2.gz IJUFGKMZMAZCEZ-UHFFFAOYSA-N 1 2 342.874 4.187 20 30 EIEDLO N#CC1(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000775976084 1054413198 /nfs/dbraw/zinc/41/31/98/1054413198.db2.gz CKXCWVCLYBWSNW-QGZVFWFLSA-N 1 2 328.362 4.271 20 30 EIEDLO Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c(C)s1 ZINC000347565580 1054668269 /nfs/dbraw/zinc/66/82/69/1054668269.db2.gz IJSIINYGOLZLQX-GFCCVEGCSA-N 1 2 338.436 4.137 20 30 EIEDLO C[N@H+](C/C(Br)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC001201455551 1054805493 /nfs/dbraw/zinc/80/54/93/1054805493.db2.gz LLARQONGKBKTEA-WQRHYEAKSA-N 1 2 341.252 4.426 20 30 EIEDLO C[N@@H+](C/C(Br)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC001201455551 1054805502 /nfs/dbraw/zinc/80/55/02/1054805502.db2.gz LLARQONGKBKTEA-WQRHYEAKSA-N 1 2 341.252 4.426 20 30 EIEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N(CC)CC)[nH+]c1 ZINC001201572876 1054853205 /nfs/dbraw/zinc/85/32/05/1054853205.db2.gz FFFQPNUQWWKZFO-UHFFFAOYSA-N 1 2 343.858 4.205 20 30 EIEDLO CCC(C#N)(CC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000860749881 1054858635 /nfs/dbraw/zinc/85/86/35/1054858635.db2.gz VRMPHQGETFLOIO-UHFFFAOYSA-N 1 2 337.423 4.122 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1 ZINC000876522852 1054927968 /nfs/dbraw/zinc/92/79/68/1054927968.db2.gz DXVDXTCQOWSWAM-KRWDZBQOSA-N 1 2 326.831 4.119 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCCC[C@H]2c2ccncc2)c1 ZINC000876522852 1054927980 /nfs/dbraw/zinc/92/79/80/1054927980.db2.gz DXVDXTCQOWSWAM-KRWDZBQOSA-N 1 2 326.831 4.119 20 30 EIEDLO Cc1ccc(Br)c(F)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000877181585 1055033664 /nfs/dbraw/zinc/03/36/64/1055033664.db2.gz DRHPVCXVZCXRCO-UHFFFAOYSA-N 1 2 325.225 4.022 20 30 EIEDLO CCC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCc2cccnc21 ZINC000877412731 1055049672 /nfs/dbraw/zinc/04/96/72/1055049672.db2.gz WXSDTWUZRGNJLI-QGZVFWFLSA-N 1 2 340.858 4.291 20 30 EIEDLO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCc2cccnc21 ZINC000877412731 1055049688 /nfs/dbraw/zinc/04/96/88/1055049688.db2.gz WXSDTWUZRGNJLI-QGZVFWFLSA-N 1 2 340.858 4.291 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166190 1055197501 /nfs/dbraw/zinc/19/75/01/1055197501.db2.gz NXHQPLUEMGAVGR-NHCUHLMSSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166190 1055197505 /nfs/dbraw/zinc/19/75/05/1055197505.db2.gz NXHQPLUEMGAVGR-NHCUHLMSSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166189 1055197574 /nfs/dbraw/zinc/19/75/74/1055197574.db2.gz NXHQPLUEMGAVGR-LEWJYISDSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166189 1055197578 /nfs/dbraw/zinc/19/75/78/1055197578.db2.gz NXHQPLUEMGAVGR-LEWJYISDSA-N 1 2 336.410 4.013 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)[nH+]c1C ZINC000921653275 1055491560 /nfs/dbraw/zinc/49/15/60/1055491560.db2.gz KSFYUWKUFZMVBP-UHFFFAOYSA-N 1 2 336.439 4.496 20 30 EIEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000153561292 1055529234 /nfs/dbraw/zinc/52/92/34/1055529234.db2.gz LPDXWYOJLXLQLT-CQSZACIVSA-N 1 2 341.842 4.061 20 30 EIEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000153561292 1055529256 /nfs/dbraw/zinc/52/92/56/1055529256.db2.gz LPDXWYOJLXLQLT-CQSZACIVSA-N 1 2 341.842 4.061 20 30 EIEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc2n1 ZINC000301353525 1055925159 /nfs/dbraw/zinc/92/51/59/1055925159.db2.gz JORJUQKXZZRFHM-UHFFFAOYSA-N 1 2 343.365 4.043 20 30 EIEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554240940 1056043958 /nfs/dbraw/zinc/04/39/58/1056043958.db2.gz BLOJRCLEQAVMEQ-GFCCVEGCSA-N 1 2 345.240 4.219 20 30 EIEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000554240940 1056043969 /nfs/dbraw/zinc/04/39/69/1056043969.db2.gz BLOJRCLEQAVMEQ-GFCCVEGCSA-N 1 2 345.240 4.219 20 30 EIEDLO COc1ccc(C([NH2+]Cc2ccc(C#N)o2)c2ccc(OC)cc2)cc1 ZINC000742369511 1058596001 /nfs/dbraw/zinc/59/60/01/1058596001.db2.gz ZUOANXIPPXPOGF-UHFFFAOYSA-N 1 2 348.402 4.048 20 30 EIEDLO N#CCc1cc2ccccc2c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169010060 1060576211 /nfs/dbraw/zinc/57/62/11/1060576211.db2.gz ZCFJGUWRGSEMAZ-UHFFFAOYSA-N 1 2 326.403 4.208 20 30 EIEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001169928277 1061036071 /nfs/dbraw/zinc/03/60/71/1061036071.db2.gz LLBHWLGYAJUYEO-INIZCTEOSA-N 1 2 342.845 4.041 20 30 EIEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001169928277 1061036085 /nfs/dbraw/zinc/03/60/85/1061036085.db2.gz LLBHWLGYAJUYEO-INIZCTEOSA-N 1 2 342.845 4.041 20 30 EIEDLO Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC1=CC(=O)CC(C)(C)C1 ZINC001169946568 1061047888 /nfs/dbraw/zinc/04/78/88/1061047888.db2.gz FJWKIGNQCFZPHG-UHFFFAOYSA-N 1 2 329.444 4.060 20 30 EIEDLO CC(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000359955902 201119166 /nfs/dbraw/zinc/11/91/66/201119166.db2.gz CRMORFBSTQLUJY-UHFFFAOYSA-N 1 2 341.480 4.182 20 30 EIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000512380318 1032586873 /nfs/dbraw/zinc/58/68/73/1032586873.db2.gz ZOIZPRWMDMXTIH-UHFFFAOYSA-N 1 2 348.406 4.173 20 30 EIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000512380318 1032586876 /nfs/dbraw/zinc/58/68/76/1032586876.db2.gz ZOIZPRWMDMXTIH-UHFFFAOYSA-N 1 2 348.406 4.173 20 30 EIEDLO Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc[nH+]1 ZINC000097371998 1019273605 /nfs/dbraw/zinc/27/36/05/1019273605.db2.gz AIIMJXKSRVLMJZ-UHFFFAOYSA-N 1 2 343.386 4.093 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000127018356 1019568580 /nfs/dbraw/zinc/56/85/80/1019568580.db2.gz GBMFNUKOLZXKQP-SFHVURJKSA-N 1 2 336.464 4.326 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000127018356 1019568592 /nfs/dbraw/zinc/56/85/92/1019568592.db2.gz GBMFNUKOLZXKQP-SFHVURJKSA-N 1 2 336.464 4.326 20 30 EIEDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000274840927 1019778392 /nfs/dbraw/zinc/77/83/92/1019778392.db2.gz OKZIZVFGTXWNOG-GFCCVEGCSA-N 1 2 330.863 4.322 20 30 EIEDLO N#Cc1csc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000339788029 1019873757 /nfs/dbraw/zinc/87/37/57/1019873757.db2.gz GDSAPXRCJVPLIV-UHFFFAOYSA-N 1 2 332.432 4.147 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000509763699 1032878838 /nfs/dbraw/zinc/87/88/38/1032878838.db2.gz CMHVQJVIKUJAPB-CQSZACIVSA-N 1 2 341.842 4.184 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000509763699 1032878839 /nfs/dbraw/zinc/87/88/39/1032878839.db2.gz CMHVQJVIKUJAPB-CQSZACIVSA-N 1 2 341.842 4.184 20 30 EIEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000471283550 1020537694 /nfs/dbraw/zinc/53/76/94/1020537694.db2.gz SMKVPDAJDSEWID-UHFFFAOYSA-N 1 2 334.423 4.253 20 30 EIEDLO C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)n1cc[nH+]c1 ZINC001125369438 1020861872 /nfs/dbraw/zinc/86/18/72/1020861872.db2.gz XVENSFMDLUKLEV-HNNXBMFYSA-N 1 2 346.390 4.137 20 30 EIEDLO CCCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1Cl ZINC000579061213 1021099577 /nfs/dbraw/zinc/09/95/77/1021099577.db2.gz YUSUDWZNMWNTNK-UHFFFAOYSA-N 1 2 335.860 4.137 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000610343880 1021337543 /nfs/dbraw/zinc/33/75/43/1021337543.db2.gz VQUOXCDCYUKRBF-CABCVRRESA-N 1 2 332.407 4.329 20 30 EIEDLO C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1cccc(C#N)c1 ZINC000610344870 1021341226 /nfs/dbraw/zinc/34/12/26/1021341226.db2.gz JSPPFCWYTDIWHP-HNNXBMFYSA-N 1 2 349.459 4.445 20 30 EIEDLO C=C(C)C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512521416 1032979881 /nfs/dbraw/zinc/97/98/81/1032979881.db2.gz DUPFSRFPFSAHIT-UHFFFAOYSA-N 1 2 325.431 4.033 20 30 EIEDLO C=C(C)C[N@H+](CC#Cc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512521416 1032979893 /nfs/dbraw/zinc/97/98/93/1032979893.db2.gz DUPFSRFPFSAHIT-UHFFFAOYSA-N 1 2 325.431 4.033 20 30 EIEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000613416969 1021992659 /nfs/dbraw/zinc/99/26/59/1021992659.db2.gz IMHJNQPZVXUUDD-UHFFFAOYSA-N 1 2 349.413 4.188 20 30 EIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000510329998 1022055521 /nfs/dbraw/zinc/05/55/21/1022055521.db2.gz TYAZZDCDLNINQT-UHFFFAOYSA-N 1 2 344.418 4.234 20 30 EIEDLO COc1cc(C[N@H+](Cc2ccc(Cl)cc2C#N)C2CC2)ccc1O ZINC000187364902 1022832913 /nfs/dbraw/zinc/83/29/13/1022832913.db2.gz XFFFKTICPYXXLM-UHFFFAOYSA-N 1 2 342.826 4.090 20 30 EIEDLO COc1cc(C[N@@H+](Cc2ccc(Cl)cc2C#N)C2CC2)ccc1O ZINC000187364902 1022832914 /nfs/dbraw/zinc/83/29/14/1022832914.db2.gz XFFFKTICPYXXLM-UHFFFAOYSA-N 1 2 342.826 4.090 20 30 EIEDLO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(C(C)(C)C)no1 ZINC000185211813 1023021155 /nfs/dbraw/zinc/02/11/55/1023021155.db2.gz JKRRTZQIKIZBMA-ZDUSSCGKSA-N 1 2 326.444 4.019 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376817730 1023318880 /nfs/dbraw/zinc/31/88/80/1023318880.db2.gz FDOCHCVIZHSGNT-KBPBESRZSA-N 1 2 334.448 4.489 20 30 EIEDLO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1C(F)(F)F ZINC000136934017 1033131151 /nfs/dbraw/zinc/13/11/51/1033131151.db2.gz ANXSMIKCGOVYNS-UHFFFAOYSA-N 1 2 346.356 4.053 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000053603740 1023662556 /nfs/dbraw/zinc/66/25/56/1023662556.db2.gz RURXXLXJZPANIB-GFCCVEGCSA-N 1 2 333.229 4.443 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000053603740 1023662560 /nfs/dbraw/zinc/66/25/60/1023662560.db2.gz RURXXLXJZPANIB-GFCCVEGCSA-N 1 2 333.229 4.443 20 30 EIEDLO COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(C(F)(F)F)c1 ZINC001143512019 1023880372 /nfs/dbraw/zinc/88/03/72/1023880372.db2.gz RVHDSXNEZGABQH-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(C(F)(F)F)c1 ZINC001143512019 1023880374 /nfs/dbraw/zinc/88/03/74/1023880374.db2.gz RVHDSXNEZGABQH-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933769830 1024282187 /nfs/dbraw/zinc/28/21/87/1024282187.db2.gz GJUDHFCZNIXMJK-LBPRGKRZSA-N 1 2 347.871 4.041 20 30 EIEDLO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769830 1024282216 /nfs/dbraw/zinc/28/22/16/1024282216.db2.gz GJUDHFCZNIXMJK-LBPRGKRZSA-N 1 2 347.871 4.041 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC001140486571 1024466420 /nfs/dbraw/zinc/46/64/20/1024466420.db2.gz WLMLIGAYOZJKAS-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC001140486571 1024466426 /nfs/dbraw/zinc/46/64/26/1024466426.db2.gz WLMLIGAYOZJKAS-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000092504266 1024810885 /nfs/dbraw/zinc/81/08/85/1024810885.db2.gz CYFZVKUGIJVLIU-UHFFFAOYSA-N 1 2 331.341 4.160 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000092504266 1024810886 /nfs/dbraw/zinc/81/08/86/1024810886.db2.gz CYFZVKUGIJVLIU-UHFFFAOYSA-N 1 2 331.341 4.160 20 30 EIEDLO COc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610864019 1025079878 /nfs/dbraw/zinc/07/98/78/1025079878.db2.gz NYIFFKAWMWMCMD-KGLIPLIRSA-N 1 2 348.406 4.029 20 30 EIEDLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610864021 1025079967 /nfs/dbraw/zinc/07/99/67/1025079967.db2.gz NYIFFKAWMWMCMD-ZIAGYGMSSA-N 1 2 348.406 4.029 20 30 EIEDLO COc1ccccc1C[N@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991683 1025214346 /nfs/dbraw/zinc/21/43/46/1025214346.db2.gz MBAXYZMVTDMJOM-UHFFFAOYSA-N 1 2 349.459 4.226 20 30 EIEDLO COc1ccccc1C[N@@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991683 1025214355 /nfs/dbraw/zinc/21/43/55/1025214355.db2.gz MBAXYZMVTDMJOM-UHFFFAOYSA-N 1 2 349.459 4.226 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2Br)ccn1 ZINC000610994630 1025240860 /nfs/dbraw/zinc/24/08/60/1025240860.db2.gz LEEZRQKVJTVLPG-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)ccn1 ZINC000610994630 1025240873 /nfs/dbraw/zinc/24/08/73/1025240873.db2.gz LEEZRQKVJTVLPG-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO Cc1ccc(C#N)c(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000342221050 1025488376 /nfs/dbraw/zinc/48/83/76/1025488376.db2.gz JUGNFDUMTFDDJJ-UHFFFAOYSA-N 1 2 349.463 4.094 20 30 EIEDLO Cc1ccc(C#N)c(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000342221050 1025488394 /nfs/dbraw/zinc/48/83/94/1025488394.db2.gz JUGNFDUMTFDDJJ-UHFFFAOYSA-N 1 2 349.463 4.094 20 30 EIEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517175 1025898578 /nfs/dbraw/zinc/89/85/78/1025898578.db2.gz ODEPHKNITXHYJG-UGSOOPFHSA-N 1 2 339.395 4.341 20 30 EIEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517175 1025898579 /nfs/dbraw/zinc/89/85/79/1025898579.db2.gz ODEPHKNITXHYJG-UGSOOPFHSA-N 1 2 339.395 4.341 20 30 EIEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc(C(F)(F)F)cs1 ZINC000551562794 1026219184 /nfs/dbraw/zinc/21/91/84/1026219184.db2.gz ACNDHOLRZRVCGS-SNVBAGLBSA-N 1 2 337.370 4.373 20 30 EIEDLO N#CC1(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)CC1 ZINC000550158254 1026243950 /nfs/dbraw/zinc/24/39/50/1026243950.db2.gz PJMKEHVDVXXSMK-OAHLLOKOSA-N 1 2 333.273 4.150 20 30 EIEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)CC1 ZINC000550158254 1026243963 /nfs/dbraw/zinc/24/39/63/1026243963.db2.gz PJMKEHVDVXXSMK-OAHLLOKOSA-N 1 2 333.273 4.150 20 30 EIEDLO CC[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000375719896 1026851871 /nfs/dbraw/zinc/85/18/71/1026851871.db2.gz PZSKSHCVDBZXJZ-KBXCAEBGSA-N 1 2 332.407 4.410 20 30 EIEDLO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4ccccc4Cl)CC3)n2c1 ZINC000507692993 1026876756 /nfs/dbraw/zinc/87/67/56/1026876756.db2.gz DYKVZMUAQMNQLK-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4ccccc4Cl)CC3)n2c1 ZINC000507692993 1026876760 /nfs/dbraw/zinc/87/67/60/1026876760.db2.gz DYKVZMUAQMNQLK-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc(Br)cc1 ZINC000894871502 1026915414 /nfs/dbraw/zinc/91/54/14/1026915414.db2.gz WGGUFLODCQRPIS-CQSZACIVSA-N 1 2 347.281 4.247 20 30 EIEDLO C#C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccc(Br)cc1 ZINC000894871501 1026915740 /nfs/dbraw/zinc/91/57/40/1026915740.db2.gz WGGUFLODCQRPIS-AWEZNQCLSA-N 1 2 347.281 4.247 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C2CC2)nc2sccn12 ZINC000342738651 1026924513 /nfs/dbraw/zinc/92/45/13/1026924513.db2.gz JRCVZWQKUDCIRU-UHFFFAOYSA-N 1 2 330.501 4.425 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C2CC2)nc2sccn12 ZINC000342738651 1026924525 /nfs/dbraw/zinc/92/45/25/1026924525.db2.gz JRCVZWQKUDCIRU-UHFFFAOYSA-N 1 2 330.501 4.425 20 30 EIEDLO COCC1(C#N)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000342835385 1027217406 /nfs/dbraw/zinc/21/74/06/1027217406.db2.gz DZPUNMXNBJHHCX-UHFFFAOYSA-N 1 2 346.780 4.111 20 30 EIEDLO Fc1cccc(F)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000237775799 1027554958 /nfs/dbraw/zinc/55/49/58/1027554958.db2.gz QZBCXRLDKIFQQV-UHFFFAOYSA-N 1 2 325.280 4.125 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C(=O)OCC)co1)c1ccc(F)c(F)c1 ZINC000474930489 1027797397 /nfs/dbraw/zinc/79/73/97/1027797397.db2.gz QIVDZZPAAZMXLQ-KRWDZBQOSA-N 1 2 335.350 4.142 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330802196 1027888640 /nfs/dbraw/zinc/88/86/40/1027888640.db2.gz AROUWMUTMLFUNY-YJBOKZPZSA-N 1 2 327.472 4.154 20 30 EIEDLO COc1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1C#N ZINC000161534471 1028019852 /nfs/dbraw/zinc/01/98/52/1028019852.db2.gz IPJCLGSWKGCLAX-CQSZACIVSA-N 1 2 333.391 4.073 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000178944843 1028115033 /nfs/dbraw/zinc/11/50/33/1028115033.db2.gz HNHXCCZCBROLLM-VAWYXSNFSA-N 1 2 342.402 4.033 20 30 EIEDLO Cc1cn2cc(NC(=O)C3CCC(NC(=O)C4CC4)CC3)ccc2[nH+]1 ZINC000330035912 1028188263 /nfs/dbraw/zinc/18/82/63/1028188263.db2.gz XTSHNAFCJYUGDZ-UHFFFAOYSA-N 1 2 340.427 4.156 20 30 EIEDLO C[N@H+](Cc1cc(Br)cs1)Cc1cc(C#N)ccc1F ZINC000047751575 1028194752 /nfs/dbraw/zinc/19/47/52/1028194752.db2.gz ZMQGRXKJOKOSIG-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1cc(Br)cs1)Cc1cc(C#N)ccc1F ZINC000047751575 1028194756 /nfs/dbraw/zinc/19/47/56/1028194756.db2.gz ZMQGRXKJOKOSIG-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO Clc1cccc(C#CC[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000157340386 1028204670 /nfs/dbraw/zinc/20/46/70/1028204670.db2.gz FSEXKXZWCYYROJ-NRFANRHFSA-N 1 2 332.834 4.466 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000187774444 1028205148 /nfs/dbraw/zinc/20/51/48/1028205148.db2.gz UXMFTNQXHGADCY-SFHVURJKSA-N 1 2 348.349 4.289 20 30 EIEDLO C=C(C)C(=O)NCCCNc1cc(C)c2cccc(C(C)C)c2[nH+]1 ZINC001167666313 1028470800 /nfs/dbraw/zinc/47/08/00/1028470800.db2.gz GARZEYVXENOWHT-UHFFFAOYSA-N 1 2 325.456 4.161 20 30 EIEDLO N#Cc1cccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000346502227 1028476762 /nfs/dbraw/zinc/47/67/62/1028476762.db2.gz VVRWMWYJJYYONX-FQEVSTJZSA-N 1 2 335.357 4.111 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccccn1 ZINC000444004420 1028724207 /nfs/dbraw/zinc/72/42/07/1028724207.db2.gz XTUIAIWEYHKQMB-JOCHJYFZSA-N 1 2 343.430 4.150 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccccc1 ZINC000027777107 1028814791 /nfs/dbraw/zinc/81/47/91/1028814791.db2.gz CETCCGHQWLHHPZ-UHFFFAOYSA-N 1 2 326.465 4.035 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccccc1 ZINC000027777107 1028814807 /nfs/dbraw/zinc/81/48/07/1028814807.db2.gz CETCCGHQWLHHPZ-UHFFFAOYSA-N 1 2 326.465 4.035 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548797991 1028834962 /nfs/dbraw/zinc/83/49/62/1028834962.db2.gz FQHLQDCMHJFELC-AWEZNQCLSA-N 1 2 343.833 4.492 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1nccn1-c1ccccc1 ZINC000347158859 1028895486 /nfs/dbraw/zinc/89/54/86/1028895486.db2.gz FJGCZFGVZDVQMI-HUUCEWRRSA-N 1 2 334.398 4.295 20 30 EIEDLO C=CC[C@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1(C)C ZINC000278506832 1029381394 /nfs/dbraw/zinc/38/13/94/1029381394.db2.gz XXELXCAASPTMNA-LJQANCHMSA-N 1 2 337.467 4.138 20 30 EIEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428489644 1030161466 /nfs/dbraw/zinc/16/14/66/1030161466.db2.gz WJZVBEHPCXCLNL-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428489644 1030161479 /nfs/dbraw/zinc/16/14/79/1030161479.db2.gz WJZVBEHPCXCLNL-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000526120151 1030302148 /nfs/dbraw/zinc/30/21/48/1030302148.db2.gz TVUBOGDFEIQIEL-SFHVURJKSA-N 1 2 336.826 4.425 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000526120151 1030302167 /nfs/dbraw/zinc/30/21/67/1030302167.db2.gz TVUBOGDFEIQIEL-SFHVURJKSA-N 1 2 336.826 4.425 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000546634129 1030343384 /nfs/dbraw/zinc/34/33/84/1030343384.db2.gz FMYIZFKRTZOMOY-UHFFFAOYSA-N 1 2 325.721 4.432 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2CCC)C(C)(C)C)cc1 ZINC000447854432 1030380737 /nfs/dbraw/zinc/38/07/37/1030380737.db2.gz MHMWPNXBECAOGP-UHFFFAOYSA-N 1 2 342.487 4.054 20 30 EIEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2CCC)C(C)(C)C)cc1 ZINC000447854432 1030380753 /nfs/dbraw/zinc/38/07/53/1030380753.db2.gz MHMWPNXBECAOGP-UHFFFAOYSA-N 1 2 342.487 4.054 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 ZINC000448283216 1030703514 /nfs/dbraw/zinc/70/35/14/1030703514.db2.gz KVOONFDBMONMBA-LRSLUSHPSA-N 1 2 338.495 4.424 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 ZINC000448283216 1030703528 /nfs/dbraw/zinc/70/35/28/1030703528.db2.gz KVOONFDBMONMBA-LRSLUSHPSA-N 1 2 338.495 4.424 20 30 EIEDLO N#Cc1ccc(CCNc2cc[nH+]c(OCc3ccccc3)c2)cc1 ZINC001167679322 1030732271 /nfs/dbraw/zinc/73/22/71/1030732271.db2.gz QAPUUNPHWGLVLA-UHFFFAOYSA-N 1 2 329.403 4.187 20 30 EIEDLO FC(F)(F)c1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783777404 1030841779 /nfs/dbraw/zinc/84/17/79/1030841779.db2.gz PXWDVAWZJBNRHI-UHFFFAOYSA-N 1 2 336.342 4.399 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161448 1031073514 /nfs/dbraw/zinc/07/35/14/1031073514.db2.gz BQMFRSOBBNCXGM-SJORKVTESA-N 1 2 333.273 4.452 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161448 1031073538 /nfs/dbraw/zinc/07/35/38/1031073538.db2.gz BQMFRSOBBNCXGM-SJORKVTESA-N 1 2 333.273 4.452 20 30 EIEDLO C[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039437 1031375322 /nfs/dbraw/zinc/37/53/22/1031375322.db2.gz CEHAVMZCZDDQLD-VBKZILBWSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039437 1031375332 /nfs/dbraw/zinc/37/53/32/1031375332.db2.gz CEHAVMZCZDDQLD-VBKZILBWSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039436 1031376996 /nfs/dbraw/zinc/37/69/96/1031376996.db2.gz CEHAVMZCZDDQLD-JLTOFOAXSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039436 1031377012 /nfs/dbraw/zinc/37/70/12/1031377012.db2.gz CEHAVMZCZDDQLD-JLTOFOAXSA-N 1 2 342.389 4.013 20 30 EIEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCC ZINC000612404393 1031486558 /nfs/dbraw/zinc/48/65/58/1031486558.db2.gz YBVSFZLOMSTMLJ-FQEVSTJZSA-N 1 2 330.472 4.390 20 30 EIEDLO CCCCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCC ZINC000612404393 1031486568 /nfs/dbraw/zinc/48/65/68/1031486568.db2.gz YBVSFZLOMSTMLJ-FQEVSTJZSA-N 1 2 330.472 4.390 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000612405888 1031488426 /nfs/dbraw/zinc/48/84/26/1031488426.db2.gz DMSVYJYULMOXQV-SFHVURJKSA-N 1 2 341.436 4.449 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000612405888 1031488435 /nfs/dbraw/zinc/48/84/35/1031488435.db2.gz DMSVYJYULMOXQV-SFHVURJKSA-N 1 2 341.436 4.449 20 30 EIEDLO COc1c(F)cc(F)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143552199 1033325154 /nfs/dbraw/zinc/32/51/54/1033325154.db2.gz UREQGTBMTFGYIS-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)cc1F ZINC000512621425 1033509261 /nfs/dbraw/zinc/50/92/61/1033509261.db2.gz XWDSBTSRRKRWOF-JTQLQIEISA-N 1 2 338.304 4.289 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C#N)s1)c1ccccn1 ZINC000183359643 1035739708 /nfs/dbraw/zinc/73/97/08/1035739708.db2.gz OVDMCEXHKMZSJV-JLTOFOAXSA-N 1 2 349.459 4.464 20 30 EIEDLO Cc1nc(N[C@@H](CCC#N)c2ccccc2)c(Br)c(C)[nH+]1 ZINC000596171143 1035834385 /nfs/dbraw/zinc/83/43/85/1035834385.db2.gz HJQGSYRDPFGRLU-AWEZNQCLSA-N 1 2 345.244 4.313 20 30 EIEDLO N#Cc1ccccc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483081 1036133853 /nfs/dbraw/zinc/13/38/53/1036133853.db2.gz NZHLJSUUQDNYQF-UHFFFAOYSA-N 1 2 338.838 4.307 20 30 EIEDLO N#Cc1cccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)n1 ZINC000602638896 1036531246 /nfs/dbraw/zinc/53/12/46/1036531246.db2.gz YJZCPZHYLUKACL-UHFFFAOYSA-N 1 2 332.234 4.429 20 30 EIEDLO N#CCCCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000588874823 1036568993 /nfs/dbraw/zinc/56/89/93/1036568993.db2.gz SQWSVFQOVPERJO-UHFFFAOYSA-N 1 2 336.439 4.299 20 30 EIEDLO CC(C)c1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c2ccccn21 ZINC000593625371 1036800416 /nfs/dbraw/zinc/80/04/16/1036800416.db2.gz ZDMOONZLSRYQLU-UHFFFAOYSA-N 1 2 338.842 4.273 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1Cl ZINC000486880608 1036882458 /nfs/dbraw/zinc/88/24/58/1036882458.db2.gz MQKXARFTCPSGIV-OLZOCXBDSA-N 1 2 348.878 4.387 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000590193155 1037007345 /nfs/dbraw/zinc/00/73/45/1037007345.db2.gz GHSFKOJUARHLHK-BLLLJJGKSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000590193155 1037007368 /nfs/dbraw/zinc/00/73/68/1037007368.db2.gz GHSFKOJUARHLHK-BLLLJJGKSA-N 1 2 326.362 4.051 20 30 EIEDLO CCOc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1 ZINC000272490846 1037203087 /nfs/dbraw/zinc/20/30/87/1037203087.db2.gz CGZJHBJVWNXFRW-UHFFFAOYSA-N 1 2 341.480 4.334 20 30 EIEDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272515669 1037207557 /nfs/dbraw/zinc/20/75/57/1037207557.db2.gz GUPSZULVIWKSOA-FQEVSTJZSA-N 1 2 347.462 4.301 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1C#N ZINC000175020513 1037452412 /nfs/dbraw/zinc/45/24/12/1037452412.db2.gz WRPGDGQMSAGAKR-NWDGAFQWSA-N 1 2 345.805 4.029 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000061779577 1037542906 /nfs/dbraw/zinc/54/29/06/1037542906.db2.gz ZURIKWHLVSDCMM-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000061779577 1037542921 /nfs/dbraw/zinc/54/29/21/1037542921.db2.gz ZURIKWHLVSDCMM-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000489430828 1038044669 /nfs/dbraw/zinc/04/46/69/1038044669.db2.gz DRUXWFCUGSVJQD-CVEARBPZSA-N 1 2 343.496 4.060 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000489430828 1038044689 /nfs/dbraw/zinc/04/46/89/1038044689.db2.gz DRUXWFCUGSVJQD-CVEARBPZSA-N 1 2 343.496 4.060 20 30 EIEDLO Cc1cccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)c1 ZINC000594032987 1038242931 /nfs/dbraw/zinc/24/29/31/1038242931.db2.gz UVXINIHZSUUMSR-UHFFFAOYSA-N 1 2 344.418 4.086 20 30 EIEDLO C=CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000063549565 1038430895 /nfs/dbraw/zinc/43/08/95/1038430895.db2.gz IPGZADJWRIMUOK-UHFFFAOYSA-N 1 2 348.446 4.356 20 30 EIEDLO C=CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000063549565 1038430916 /nfs/dbraw/zinc/43/09/16/1038430916.db2.gz IPGZADJWRIMUOK-UHFFFAOYSA-N 1 2 348.446 4.356 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117647300 1038816347 /nfs/dbraw/zinc/81/63/47/1038816347.db2.gz GNNLCTHYGLBUTP-UHFFFAOYSA-N 1 2 333.391 4.080 20 30 EIEDLO C=CCCc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000505016754 1038887707 /nfs/dbraw/zinc/88/77/07/1038887707.db2.gz LQJFYPMDWBAWEO-UHFFFAOYSA-N 1 2 338.455 4.214 20 30 EIEDLO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000505044611 1038896353 /nfs/dbraw/zinc/89/63/53/1038896353.db2.gz CEGMHUSKFMTTJN-APWZRJJASA-N 1 2 338.455 4.117 20 30 EIEDLO N#CC1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000057880515 1039013596 /nfs/dbraw/zinc/01/35/96/1039013596.db2.gz ILOKFOHXXQTRBQ-OAQYLSRUSA-N 1 2 343.430 4.327 20 30 EIEDLO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C#N)CC2)c1 ZINC000057908035 1039021566 /nfs/dbraw/zinc/02/15/66/1039021566.db2.gz MYMRXJLEHUTSAX-NRFANRHFSA-N 1 2 347.462 4.219 20 30 EIEDLO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C#N)CC2)c1 ZINC000057908031 1039021807 /nfs/dbraw/zinc/02/18/07/1039021807.db2.gz MYMRXJLEHUTSAX-OAQYLSRUSA-N 1 2 347.462 4.219 20 30 EIEDLO C=CCOc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1 ZINC000478012294 1039320848 /nfs/dbraw/zinc/32/08/48/1039320848.db2.gz ZSLMRDAKQGTQCA-UHFFFAOYSA-N 1 2 333.391 4.202 20 30 EIEDLO C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000783871466 1039350077 /nfs/dbraw/zinc/35/00/77/1039350077.db2.gz OPPBOKVSINBQOI-UHFFFAOYSA-N 1 2 347.418 4.022 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)co2)cc1 ZINC000122116923 1039613845 /nfs/dbraw/zinc/61/38/45/1039613845.db2.gz NMRPQDXFNGGLCQ-UHFFFAOYSA-N 1 2 347.418 4.244 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)co2)cc1 ZINC000122116923 1039613858 /nfs/dbraw/zinc/61/38/58/1039613858.db2.gz NMRPQDXFNGGLCQ-UHFFFAOYSA-N 1 2 347.418 4.244 20 30 EIEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC1CC1 ZINC000093091263 1039626547 /nfs/dbraw/zinc/62/65/47/1039626547.db2.gz PNRNIEZBHCKHKB-GOSISDBHSA-N 1 2 348.874 4.023 20 30 EIEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC1CC1 ZINC000093091263 1039626565 /nfs/dbraw/zinc/62/65/65/1039626565.db2.gz PNRNIEZBHCKHKB-GOSISDBHSA-N 1 2 348.874 4.023 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1nc2cccnc2s1)c1ccc(F)c(F)c1 ZINC000481617187 1039633475 /nfs/dbraw/zinc/63/34/75/1039633475.db2.gz ZLBBDPSTYHJGMW-MRXNPFEDSA-N 1 2 331.391 4.377 20 30 EIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768305 1039747077 /nfs/dbraw/zinc/74/70/77/1039747077.db2.gz ZBJYYJZNIPIKAH-IBGZPJMESA-N 1 2 342.464 4.004 20 30 EIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768305 1039747108 /nfs/dbraw/zinc/74/71/08/1039747108.db2.gz ZBJYYJZNIPIKAH-IBGZPJMESA-N 1 2 342.464 4.004 20 30 EIEDLO C=CC[N@@H+](CCC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000430097873 1039842909 /nfs/dbraw/zinc/84/29/09/1039842909.db2.gz ISYTYHBWVWPQLA-UHFFFAOYSA-N 1 2 326.390 4.498 20 30 EIEDLO C=CC[N@H+](CCC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000430097873 1039842914 /nfs/dbraw/zinc/84/29/14/1039842914.db2.gz ISYTYHBWVWPQLA-UHFFFAOYSA-N 1 2 326.390 4.498 20 30 EIEDLO C=CCc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1OC ZINC000097040360 1039861410 /nfs/dbraw/zinc/86/14/10/1039861410.db2.gz IYOWWYDWOYSONK-UHFFFAOYSA-N 1 2 340.423 4.005 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000514827716 1040259124 /nfs/dbraw/zinc/25/91/24/1040259124.db2.gz AWXLGSHAZTYZAR-NRFANRHFSA-N 1 2 349.409 4.060 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000425363827 1040326581 /nfs/dbraw/zinc/32/65/81/1040326581.db2.gz CZEASRPNJXYJCR-SNVBAGLBSA-N 1 2 325.359 4.227 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000425363827 1040326594 /nfs/dbraw/zinc/32/65/94/1040326594.db2.gz CZEASRPNJXYJCR-SNVBAGLBSA-N 1 2 325.359 4.227 20 30 EIEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(Oc2ccccc2)c1 ZINC000515096318 1040479337 /nfs/dbraw/zinc/47/93/37/1040479337.db2.gz ICMZMJSNZCSAJJ-UHFFFAOYSA-N 1 2 335.432 4.405 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000553873778 1040600283 /nfs/dbraw/zinc/60/02/83/1040600283.db2.gz QOPSUHXLJIZMMI-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000553873778 1040600294 /nfs/dbraw/zinc/60/02/94/1040600294.db2.gz QOPSUHXLJIZMMI-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000436173441 1040937505 /nfs/dbraw/zinc/93/75/05/1040937505.db2.gz HDVYBWQBUXNIOB-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000425530605 1041166395 /nfs/dbraw/zinc/16/63/95/1041166395.db2.gz FOQGTVGKXPWWNH-CYBMUJFWSA-N 1 2 340.377 4.496 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000425530605 1041166412 /nfs/dbraw/zinc/16/64/12/1041166412.db2.gz FOQGTVGKXPWWNH-CYBMUJFWSA-N 1 2 340.377 4.496 20 30 EIEDLO COc1cc(C)c(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480505337 1041344258 /nfs/dbraw/zinc/34/42/58/1041344258.db2.gz MCGCQYWUENZJHR-UHFFFAOYSA-N 1 2 344.842 4.169 20 30 EIEDLO COc1cc(C)c(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480505337 1041344263 /nfs/dbraw/zinc/34/42/63/1041344263.db2.gz MCGCQYWUENZJHR-UHFFFAOYSA-N 1 2 344.842 4.169 20 30 EIEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)s1 ZINC000480678740 1041468160 /nfs/dbraw/zinc/46/81/60/1041468160.db2.gz AMIXMPHIQFBJNG-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)s1 ZINC000480678740 1041468166 /nfs/dbraw/zinc/46/81/66/1041468166.db2.gz AMIXMPHIQFBJNG-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO C=CCCCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463705105 1041713514 /nfs/dbraw/zinc/71/35/14/1041713514.db2.gz FGSQRYARSOFJLT-UHFFFAOYSA-N 1 2 338.455 4.364 20 30 EIEDLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000271716707 1042238377 /nfs/dbraw/zinc/23/83/77/1042238377.db2.gz WUJVGDOBEJAMRS-AWEZNQCLSA-N 1 2 332.407 4.021 20 30 EIEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1 ZINC000492026489 1042536694 /nfs/dbraw/zinc/53/66/94/1042536694.db2.gz YZXFXSYOARDTMQ-UHFFFAOYSA-N 1 2 340.345 4.283 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000518655137 1042607982 /nfs/dbraw/zinc/60/79/82/1042607982.db2.gz XFLJTJHXIZRHDB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000518655137 1042607983 /nfs/dbraw/zinc/60/79/83/1042607983.db2.gz XFLJTJHXIZRHDB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000439420478 1042615749 /nfs/dbraw/zinc/61/57/49/1042615749.db2.gz JEVADVBNDIEOQP-UHFFFAOYSA-N 1 2 338.838 4.307 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461637 1042646922 /nfs/dbraw/zinc/64/69/22/1042646922.db2.gz LOBPSBNTYRECPH-UYAOXDASSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461637 1042646930 /nfs/dbraw/zinc/64/69/30/1042646930.db2.gz LOBPSBNTYRECPH-UYAOXDASSA-N 1 2 335.838 4.483 20 30 EIEDLO Cn1c[nH+]cc1-c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000665206226 1043088901 /nfs/dbraw/zinc/08/89/01/1043088901.db2.gz BCUASPJXUAEKDU-UHFFFAOYSA-N 1 2 326.215 4.377 20 30 EIEDLO Cc1ccc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1 ZINC000727259929 1043176060 /nfs/dbraw/zinc/17/60/60/1043176060.db2.gz OXGDFFHAFKOLAC-UHFFFAOYSA-N 1 2 346.837 4.246 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(OC(F)F)c1 ZINC000730147771 1043456121 /nfs/dbraw/zinc/45/61/21/1043456121.db2.gz JSMYWTWEJYRZEG-UHFFFAOYSA-N 1 2 327.334 4.094 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccs1 ZINC000019540378 1043500875 /nfs/dbraw/zinc/50/08/75/1043500875.db2.gz YFQGQUKBSLRRLC-UHFFFAOYSA-N 1 2 338.835 4.167 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccs1 ZINC000019540378 1043500880 /nfs/dbraw/zinc/50/08/80/1043500880.db2.gz YFQGQUKBSLRRLC-UHFFFAOYSA-N 1 2 338.835 4.167 20 30 EIEDLO O=C1c2sc(-c3ccc(Cl)cc3)nc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000731159848 1043705852 /nfs/dbraw/zinc/70/58/52/1043705852.db2.gz YECAQOMTGVUOGW-LUAWRHEFSA-N 1 2 341.823 4.399 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000732183874 1043883426 /nfs/dbraw/zinc/88/34/26/1043883426.db2.gz UKEKWQXQYAGOSJ-CQSZACIVSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000732183874 1043883433 /nfs/dbraw/zinc/88/34/33/1043883433.db2.gz UKEKWQXQYAGOSJ-CQSZACIVSA-N 1 2 348.491 4.342 20 30 EIEDLO COc1cccc(/C=[NH+]/CCCO[C@@H]2CCCc3ccccc32)c1O ZINC000733749970 1044301384 /nfs/dbraw/zinc/30/13/84/1044301384.db2.gz HAQHTYPNDOVAQR-QTCOBDOFSA-N 1 2 339.435 4.304 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761765400 1044477677 /nfs/dbraw/zinc/47/76/77/1044477677.db2.gz LUMZADZLGGTBOZ-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761765400 1044477682 /nfs/dbraw/zinc/47/76/82/1044477682.db2.gz LUMZADZLGGTBOZ-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)o1 ZINC000121133068 1044698579 /nfs/dbraw/zinc/69/85/79/1044698579.db2.gz NVGDSAZESZWRSM-KRWDZBQOSA-N 1 2 326.446 4.422 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)o1 ZINC000121133068 1044698589 /nfs/dbraw/zinc/69/85/89/1044698589.db2.gz NVGDSAZESZWRSM-KRWDZBQOSA-N 1 2 326.446 4.422 20 30 EIEDLO Cc1cc(C)cc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000735972624 1044884335 /nfs/dbraw/zinc/88/43/35/1044884335.db2.gz LDWRLAUVACSSBT-UHFFFAOYSA-N 1 2 334.876 4.460 20 30 EIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000428976278 1044932543 /nfs/dbraw/zinc/93/25/43/1044932543.db2.gz IWNXTZASJWDJGM-UHFFFAOYSA-N 1 2 329.806 4.125 20 30 EIEDLO N#CCOc1ccc(C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000766221538 1044992294 /nfs/dbraw/zinc/99/22/94/1044992294.db2.gz COAOFISXDBQLBA-UHFFFAOYSA-N 1 2 347.245 4.454 20 30 EIEDLO N#CCOc1ccc(C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000766221538 1044992305 /nfs/dbraw/zinc/99/23/05/1044992305.db2.gz COAOFISXDBQLBA-UHFFFAOYSA-N 1 2 347.245 4.454 20 30 EIEDLO CC[C@@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739926328 1045175582 /nfs/dbraw/zinc/17/55/82/1045175582.db2.gz DEWOJOIDEKACDY-CABCVRRESA-N 1 2 341.480 4.127 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000915203193 1045178908 /nfs/dbraw/zinc/17/89/08/1045178908.db2.gz XJJWLIIADHWZSZ-UHFFFAOYSA-N 1 2 344.528 4.270 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)CCCC)c1=S ZINC000915203193 1045178917 /nfs/dbraw/zinc/17/89/17/1045178917.db2.gz XJJWLIIADHWZSZ-UHFFFAOYSA-N 1 2 344.528 4.270 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208951 1045186242 /nfs/dbraw/zinc/18/62/42/1045186242.db2.gz JINWRCWABNFSGE-AWEZNQCLSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208951 1045186246 /nfs/dbraw/zinc/18/62/46/1045186246.db2.gz JINWRCWABNFSGE-AWEZNQCLSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740858013 1045229867 /nfs/dbraw/zinc/22/98/67/1045229867.db2.gz BXSFYPKXCLRMSE-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740858013 1045229876 /nfs/dbraw/zinc/22/98/76/1045229876.db2.gz BXSFYPKXCLRMSE-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1OC(F)F ZINC000611254407 1045266659 /nfs/dbraw/zinc/26/66/59/1045266659.db2.gz PQROWEAYKKBYIE-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1OC(F)F ZINC000611254407 1045266666 /nfs/dbraw/zinc/26/66/66/1045266666.db2.gz PQROWEAYKKBYIE-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO N#Cc1csc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000611263644 1045269081 /nfs/dbraw/zinc/26/90/81/1045269081.db2.gz FRFAWYQYFIBNHR-NXEZZACHSA-N 1 2 342.308 4.182 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1C#N ZINC000611346101 1045287191 /nfs/dbraw/zinc/28/71/91/1045287191.db2.gz OEEGEXSZWNDOKK-OAQYLSRUSA-N 1 2 342.446 4.172 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCc3ccccc32)c1C#N ZINC000611346101 1045287201 /nfs/dbraw/zinc/28/72/01/1045287201.db2.gz OEEGEXSZWNDOKK-OAQYLSRUSA-N 1 2 342.446 4.172 20 30 EIEDLO CCSCC[C@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611347882 1045287798 /nfs/dbraw/zinc/28/77/98/1045287798.db2.gz QZXWBUSJGJXZJG-HNNXBMFYSA-N 1 2 342.512 4.016 20 30 EIEDLO CCSCC[C@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611347882 1045287803 /nfs/dbraw/zinc/28/78/03/1045287803.db2.gz QZXWBUSJGJXZJG-HNNXBMFYSA-N 1 2 342.512 4.016 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(C#N)c1 ZINC000611389169 1045295960 /nfs/dbraw/zinc/29/59/60/1045295960.db2.gz XZMOGHCQWGTQRN-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1noc(-c2ccccc2)n1 ZINC000611393803 1045298668 /nfs/dbraw/zinc/29/86/68/1045298668.db2.gz MFAOTXZGHWKAQY-AUUYWEPGSA-N 1 2 344.418 4.336 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767753580 1045631535 /nfs/dbraw/zinc/63/15/35/1045631535.db2.gz FNKOXQAFJXLUQG-ZWKOTPCHSA-N 1 2 348.535 4.306 20 30 EIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455470212 1045668952 /nfs/dbraw/zinc/66/89/52/1045668952.db2.gz IHSOOAIHCKDPIK-UHFFFAOYSA-N 1 2 336.439 4.323 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069788405 1045763273 /nfs/dbraw/zinc/76/32/73/1045763273.db2.gz XZGSBAGMIRRRSZ-UHFFFAOYSA-N 1 2 337.467 4.140 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N\C1CCN(c2cccc[nH+]2)CC1 ZINC000915978774 1045849292 /nfs/dbraw/zinc/84/92/92/1045849292.db2.gz JOARDSRWTAENHU-HAHDFKILSA-N 1 2 331.419 4.028 20 30 EIEDLO C#CC[N@H+](Cc1ccco1)[C@H]1CCOc2ccc(Br)cc21 ZINC000769402975 1045953369 /nfs/dbraw/zinc/95/33/69/1045953369.db2.gz BENFVRLNZGFKMN-INIZCTEOSA-N 1 2 346.224 4.001 20 30 EIEDLO C#CC[N@@H+](Cc1ccco1)[C@H]1CCOc2ccc(Br)cc21 ZINC000769402975 1045953380 /nfs/dbraw/zinc/95/33/80/1045953380.db2.gz BENFVRLNZGFKMN-INIZCTEOSA-N 1 2 346.224 4.001 20 30 EIEDLO O=C1c2c(Cl)ccc(Cl)c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000769608406 1046030471 /nfs/dbraw/zinc/03/04/71/1046030471.db2.gz BLQTZXWGHKCQKW-CSKARUKUSA-N 1 2 345.185 4.300 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000769608927 1046034502 /nfs/dbraw/zinc/03/45/02/1046034502.db2.gz VTORGVKYJDVWKP-NTMALXAHSA-N 1 2 345.185 4.300 20 30 EIEDLO CC(C)Oc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162249269 1046151174 /nfs/dbraw/zinc/15/11/74/1046151174.db2.gz KIRLQCMPUUAJTE-UHFFFAOYSA-N 1 2 325.412 4.163 20 30 EIEDLO COc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)c2ccccc2)cc1 ZINC000611565617 1046186107 /nfs/dbraw/zinc/18/61/07/1046186107.db2.gz SZLSJASHUJGEQO-QFIPXVFZSA-N 1 2 328.415 4.446 20 30 EIEDLO C(=NN(Cc1ccccc1)c1ccccc1)c1cccc2[nH+]ccn21 ZINC000771098658 1046328358 /nfs/dbraw/zinc/32/83/58/1046328358.db2.gz OIRVXZZLPHNFSO-UHFFFAOYSA-N 1 2 326.403 4.375 20 30 EIEDLO COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668530 1046642259 /nfs/dbraw/zinc/64/22/59/1046642259.db2.gz IQWPUBVYGIBIKX-WLEBJDBUSA-N 1 2 332.447 4.480 20 30 EIEDLO COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668530 1046642268 /nfs/dbraw/zinc/64/22/68/1046642268.db2.gz IQWPUBVYGIBIKX-WLEBJDBUSA-N 1 2 332.447 4.480 20 30 EIEDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459467442 1046704663 /nfs/dbraw/zinc/70/46/63/1046704663.db2.gz KIWJWMFQIDIMLP-CQSZACIVSA-N 1 2 339.395 4.104 20 30 EIEDLO Cc1c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cnn1C(C)(C)C ZINC000787186535 1046937415 /nfs/dbraw/zinc/93/74/15/1046937415.db2.gz KFPZRXCFTPYGHK-WAYWQWQTSA-N 1 2 340.452 4.090 20 30 EIEDLO N#CCC[C@H]([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000130459140 1047713009 /nfs/dbraw/zinc/71/30/09/1047713009.db2.gz BORCBHDPLGBYIQ-KRWDZBQOSA-N 1 2 345.240 4.289 20 30 EIEDLO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ncc(CC)s2)c1O ZINC000747473093 1047856129 /nfs/dbraw/zinc/85/61/29/1047856129.db2.gz YKKWTSZCFOJESA-UHFFFAOYSA-N 1 2 346.496 4.170 20 30 EIEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ncc(CC)s2)c1O ZINC000747473093 1047856137 /nfs/dbraw/zinc/85/61/37/1047856137.db2.gz YKKWTSZCFOJESA-UHFFFAOYSA-N 1 2 346.496 4.170 20 30 EIEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H](CCCC#N)c1ccccc1 ZINC000814262998 1047911163 /nfs/dbraw/zinc/91/11/63/1047911163.db2.gz AFKAJBGFCBXNGE-QGZVFWFLSA-N 1 2 348.454 4.428 20 30 EIEDLO Cc1cc2oc(=O)cc(C[N@H+](C)CC(C)(C)C#N)c2cc1C(C)C ZINC000814667326 1048122669 /nfs/dbraw/zinc/12/26/69/1048122669.db2.gz POGDHYSQNXHCCF-UHFFFAOYSA-N 1 2 326.440 4.206 20 30 EIEDLO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(C)(C)C#N)c2cc1C(C)C ZINC000814667326 1048122676 /nfs/dbraw/zinc/12/26/76/1048122676.db2.gz POGDHYSQNXHCCF-UHFFFAOYSA-N 1 2 326.440 4.206 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001143730838 1048176379 /nfs/dbraw/zinc/17/63/79/1048176379.db2.gz CEFMOJCPFCAPAY-UHFFFAOYSA-N 1 2 343.883 4.363 20 30 EIEDLO CC(C)(C)OC(=O)CC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731257 1048177439 /nfs/dbraw/zinc/17/74/39/1048177439.db2.gz QECXEJKICOKJAU-UHFFFAOYSA-N 1 2 348.874 4.155 20 30 EIEDLO COc1cc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)ccc1Cl ZINC000814919689 1048258959 /nfs/dbraw/zinc/25/89/59/1048258959.db2.gz PBIVHGPHPDVQSD-UHFFFAOYSA-N 1 2 325.746 4.045 20 30 EIEDLO [NH2+]=C(Nc1cc(Cl)cc2oncc21)c1ccc2cc(O)ccc2c1 ZINC001171186029 1048683896 /nfs/dbraw/zinc/68/38/96/1048683896.db2.gz NJUVXZYWZMVPGU-UHFFFAOYSA-N 1 2 337.766 4.377 20 30 EIEDLO C=CCC(F)(F)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000816499538 1048819853 /nfs/dbraw/zinc/81/98/53/1048819853.db2.gz TWDVIGQRJUPEPR-UHFFFAOYSA-N 1 2 331.366 4.036 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000772936840 1048867472 /nfs/dbraw/zinc/86/74/72/1048867472.db2.gz MOPOCSOMULAZJT-UHFFFAOYSA-N 1 2 349.482 4.034 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231004 1048869753 /nfs/dbraw/zinc/86/97/53/1048869753.db2.gz ZPVBQANRMAZJMF-YWZLYKJASA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231004 1048869756 /nfs/dbraw/zinc/86/97/56/1048869756.db2.gz ZPVBQANRMAZJMF-YWZLYKJASA-N 1 2 340.854 4.216 20 30 EIEDLO N#Cc1c(F)cccc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000609513086 1049125570 /nfs/dbraw/zinc/12/55/70/1049125570.db2.gz SKYRMLLQTRRHFP-CYBMUJFWSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1c(F)cccc1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000609513086 1049125596 /nfs/dbraw/zinc/12/55/96/1049125596.db2.gz SKYRMLLQTRRHFP-CYBMUJFWSA-N 1 2 345.368 4.052 20 30 EIEDLO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@](F)(C#N)C2)c1C ZINC000615531299 1049710255 /nfs/dbraw/zinc/71/02/55/1049710255.db2.gz NVYISKZMWNGQJG-INIZCTEOSA-N 1 2 348.219 4.056 20 30 EIEDLO CC(C)CC[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301767 1049873158 /nfs/dbraw/zinc/87/31/58/1049873158.db2.gz WLYOMLFMTSZXHG-APWZRJJASA-N 1 2 344.499 4.225 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Br)cc1F ZINC000180319261 1049880298 /nfs/dbraw/zinc/88/02/98/1049880298.db2.gz HLWALVQGJDNGNW-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO Cc1cc(OC(F)(F)F)ccc1NC(=[NH2+])c1ccc2ccccc2n1 ZINC001171047570 1049901558 /nfs/dbraw/zinc/90/15/58/1049901558.db2.gz ARLQTJVVISSSBH-UHFFFAOYSA-N 1 2 345.324 4.479 20 30 EIEDLO CC(C)OC(=O)CC[C@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172772011 1049976159 /nfs/dbraw/zinc/97/61/59/1049976159.db2.gz AVEZKGKWTYWWHU-HNNXBMFYSA-N 1 2 336.863 4.176 20 30 EIEDLO CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172772011 1049976163 /nfs/dbraw/zinc/97/61/63/1049976163.db2.gz AVEZKGKWTYWWHU-HNNXBMFYSA-N 1 2 336.863 4.176 20 30 EIEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1Cl ZINC001212699168 1050260686 /nfs/dbraw/zinc/26/06/86/1050260686.db2.gz QWAMNCLCZCBQMS-UHFFFAOYSA-N 1 2 326.762 4.339 20 30 EIEDLO COc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(C#N)c1 ZINC001212778809 1050367052 /nfs/dbraw/zinc/36/70/52/1050367052.db2.gz DGHRAQONPRJJAV-UHFFFAOYSA-N 1 2 340.383 4.052 20 30 EIEDLO C=CC[C@@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211769 1050370564 /nfs/dbraw/zinc/37/05/64/1050370564.db2.gz RAUGHHYJAKJDOX-LAUBAEHRSA-N 1 2 337.463 4.304 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680050 1050527181 /nfs/dbraw/zinc/52/71/81/1050527181.db2.gz MHOGFWAAAZWRLM-SPYBWZPUSA-N 1 2 337.508 4.081 20 30 EIEDLO O=C1C=C2C[N@H+](C3CCC4(CCc5ccccc54)CC3)CC[C@@H]2S1 ZINC001173688494 1050540521 /nfs/dbraw/zinc/54/05/21/1050540521.db2.gz VKTAHBKUAPRQQS-BIXGBWIQSA-N 1 2 339.504 4.087 20 30 EIEDLO O=C1C=C2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)CC[C@@H]2S1 ZINC001173688494 1050540533 /nfs/dbraw/zinc/54/05/33/1050540533.db2.gz VKTAHBKUAPRQQS-BIXGBWIQSA-N 1 2 339.504 4.087 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000775162075 1050779404 /nfs/dbraw/zinc/77/94/04/1050779404.db2.gz KUNVVVFVPYEVFL-MRVPVSSYSA-N 1 2 326.268 4.105 20 30 EIEDLO CC(C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(F)F ZINC000619432091 1050784111 /nfs/dbraw/zinc/78/41/11/1050784111.db2.gz RXDAYVIFZNHDRR-UHFFFAOYSA-N 1 2 330.378 4.271 20 30 EIEDLO C=C(C)c1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174435199 1050965045 /nfs/dbraw/zinc/96/50/45/1050965045.db2.gz XTKDWJZSXUIYDT-UHFFFAOYSA-N 1 2 338.451 4.174 20 30 EIEDLO C[C@@H]1CCc2nc(C[NH2+][C@H](CCC#N)c3ccccc3)sc2C1 ZINC000153402392 1051034763 /nfs/dbraw/zinc/03/47/63/1051034763.db2.gz NLBPJTKDLPVGPS-GDBMZVCRSA-N 1 2 325.481 4.403 20 30 EIEDLO CCCCCCCCNC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191068637 1051338835 /nfs/dbraw/zinc/33/88/35/1051338835.db2.gz SAIOXDKWNCNWCJ-UHFFFAOYSA-N 1 2 342.487 4.374 20 30 EIEDLO N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175353248 1051546394 /nfs/dbraw/zinc/54/63/94/1051546394.db2.gz YSLXWMRASRINFK-UHFFFAOYSA-N 1 2 348.328 4.196 20 30 EIEDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)[nH+]c1C ZINC001176079557 1051889901 /nfs/dbraw/zinc/88/99/01/1051889901.db2.gz ZMILWBBGBYXIGH-INIZCTEOSA-N 1 2 348.372 4.254 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586941 1052120584 /nfs/dbraw/zinc/12/05/84/1052120584.db2.gz GRNUSOAANMKSOM-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586941 1052120590 /nfs/dbraw/zinc/12/05/90/1052120590.db2.gz GRNUSOAANMKSOM-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)cc(C(F)(F)F)c1 ZINC001184968498 1052135712 /nfs/dbraw/zinc/13/57/12/1052135712.db2.gz NOODVZLOEHXBNE-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO CCCCc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698197 1053323602 /nfs/dbraw/zinc/32/36/02/1053323602.db2.gz OJZGJJAXBNXUKJ-VAWYXSNFSA-N 1 2 328.481 4.443 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)s1 ZINC000794703667 1053336294 /nfs/dbraw/zinc/33/62/94/1053336294.db2.gz WRACFWMWRISPGS-SREVYHEPSA-N 1 2 349.459 4.163 20 30 EIEDLO Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)O2 ZINC000794716360 1053350349 /nfs/dbraw/zinc/35/03/49/1053350349.db2.gz ZFVKNJVKJQTKLV-OVCLIPMQSA-N 1 2 342.464 4.253 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000765075510 1053432291 /nfs/dbraw/zinc/43/22/91/1053432291.db2.gz GKULWHQJDCMJJM-INIZCTEOSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000765075510 1053432298 /nfs/dbraw/zinc/43/22/98/1053432298.db2.gz GKULWHQJDCMJJM-INIZCTEOSA-N 1 2 342.512 4.265 20 30 EIEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566520 1053436629 /nfs/dbraw/zinc/43/66/29/1053436629.db2.gz JYVUXCAIEFPNHP-SFHVURJKSA-N 1 2 348.446 4.071 20 30 EIEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566520 1053436640 /nfs/dbraw/zinc/43/66/40/1053436640.db2.gz JYVUXCAIEFPNHP-SFHVURJKSA-N 1 2 348.446 4.071 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(C3CCC3)cc2)s1 ZINC000865227287 1053447445 /nfs/dbraw/zinc/44/74/45/1053447445.db2.gz NTEYLIXZZAMWIK-KHPPLWFESA-N 1 2 326.465 4.368 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331922 1053570122 /nfs/dbraw/zinc/57/01/22/1053570122.db2.gz DTQBHOSEOXZGNG-UYAOXDASSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331922 1053570133 /nfs/dbraw/zinc/57/01/33/1053570133.db2.gz DTQBHOSEOXZGNG-UYAOXDASSA-N 1 2 337.854 4.280 20 30 EIEDLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853525666 1053682753 /nfs/dbraw/zinc/68/27/53/1053682753.db2.gz IDAGDKYIUIAIEP-KRWDZBQOSA-N 1 2 340.496 4.208 20 30 EIEDLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853525666 1053682758 /nfs/dbraw/zinc/68/27/58/1053682758.db2.gz IDAGDKYIUIAIEP-KRWDZBQOSA-N 1 2 340.496 4.208 20 30 EIEDLO C[N@H+](CCc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC001196646960 1053710464 /nfs/dbraw/zinc/71/04/64/1053710464.db2.gz VGFDLZIOOZZIBF-IBGZPJMESA-N 1 2 328.406 4.299 20 30 EIEDLO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC001196646960 1053710466 /nfs/dbraw/zinc/71/04/66/1053710466.db2.gz VGFDLZIOOZZIBF-IBGZPJMESA-N 1 2 328.406 4.299 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCC2)nc1-c1ccco1 ZINC000102885844 1053899262 /nfs/dbraw/zinc/89/92/62/1053899262.db2.gz CGARPZIQFIQSOJ-HNNXBMFYSA-N 1 2 344.484 4.082 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCC2)nc1-c1ccco1 ZINC000102885844 1053899263 /nfs/dbraw/zinc/89/92/63/1053899263.db2.gz CGARPZIQFIQSOJ-HNNXBMFYSA-N 1 2 344.484 4.082 20 30 EIEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779185 1054108553 /nfs/dbraw/zinc/10/85/53/1054108553.db2.gz USNLHSZWOXLVMO-JTQLQIEISA-N 1 2 339.748 4.476 20 30 EIEDLO Cc1cc(Br)cc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001168570325 1054117492 /nfs/dbraw/zinc/11/74/92/1054117492.db2.gz MSRWHLKJIFCQGA-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(Br)cc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001168570325 1054117499 /nfs/dbraw/zinc/11/74/99/1054117499.db2.gz MSRWHLKJIFCQGA-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2F)c(C(F)(F)F)c1 ZINC000794489763 1055148027 /nfs/dbraw/zinc/14/80/27/1055148027.db2.gz CNSVCYBATXHPBD-UHFFFAOYSA-N 1 2 325.309 4.357 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000878720476 1055379481 /nfs/dbraw/zinc/37/94/81/1055379481.db2.gz PEYCCBYIHOYQGN-UXHICEINSA-N 1 2 337.467 4.187 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553990865 1055962660 /nfs/dbraw/zinc/96/26/60/1055962660.db2.gz IZGGIGXADMDRBB-GUYCJALGSA-N 1 2 339.464 4.030 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553990865 1055962678 /nfs/dbraw/zinc/96/26/78/1055962678.db2.gz IZGGIGXADMDRBB-GUYCJALGSA-N 1 2 339.464 4.030 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000301830237 1055991368 /nfs/dbraw/zinc/99/13/68/1055991368.db2.gz RPNQLEXOARMJFN-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1O ZINC000743045643 1058849500 /nfs/dbraw/zinc/84/95/00/1058849500.db2.gz RTGFLABQRMPUGF-LYBQEQRRSA-N 1 2 339.435 4.296 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccn(C(C)C)c1=S ZINC000745161810 1059765494 /nfs/dbraw/zinc/76/54/94/1059765494.db2.gz FJFZCJPVRDJSKW-UHFFFAOYSA-N 1 2 326.469 4.117 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccn(C(C)C)c1=S ZINC000745161810 1059765519 /nfs/dbraw/zinc/76/55/19/1059765519.db2.gz FJFZCJPVRDJSKW-UHFFFAOYSA-N 1 2 326.469 4.117 20 30 EIEDLO C=CC[C@@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1ccccc1 ZINC001169157824 1060672854 /nfs/dbraw/zinc/67/28/54/1060672854.db2.gz ABRICHIEXRMZGG-HXUWFJFHSA-N 1 2 345.446 4.026 20 30 EIEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC001169382669 1060783706 /nfs/dbraw/zinc/78/37/06/1060783706.db2.gz LKIYZMNCLWLIKI-IMJJTQAJSA-N 1 2 341.373 4.049 20 30 EIEDLO N#CC1(c2cc[nH+]c(N[C@H](CCO)c3cccc4ccccc43)c2)CC1 ZINC001169422248 1060811358 /nfs/dbraw/zinc/81/13/58/1060811358.db2.gz IWQSQIKKJVSTOE-HXUWFJFHSA-N 1 2 343.430 4.326 20 30 EIEDLO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001169519052 1060842017 /nfs/dbraw/zinc/84/20/17/1060842017.db2.gz LJMKFBSUWUBZQH-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(Br)c2c(c1)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001169519052 1060842025 /nfs/dbraw/zinc/84/20/25/1060842025.db2.gz LJMKFBSUWUBZQH-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000459377499 1032118680 /nfs/dbraw/zinc/11/86/80/1032118680.db2.gz OVALGOZUSRCRIX-QGZVFWFLSA-N 1 2 325.368 4.177 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000459377499 1032118696 /nfs/dbraw/zinc/11/86/96/1032118696.db2.gz OVALGOZUSRCRIX-QGZVFWFLSA-N 1 2 325.368 4.177 20 30 EIEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000532745051 1032283055 /nfs/dbraw/zinc/28/30/55/1032283055.db2.gz VCRKNJNRNZOKPS-MRXNPFEDSA-N 1 2 347.886 4.135 20 30 EIEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000532745051 1032283060 /nfs/dbraw/zinc/28/30/60/1032283060.db2.gz VCRKNJNRNZOKPS-MRXNPFEDSA-N 1 2 347.886 4.135 20 30 EIEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2c(C)cc(Br)cn12 ZINC000783709089 1032526368 /nfs/dbraw/zinc/52/63/68/1032526368.db2.gz JXFLOVWDOSIADI-ARJAWSKDSA-N 1 2 345.196 4.203 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270018 1032575923 /nfs/dbraw/zinc/57/59/23/1032575923.db2.gz ZAOVHNQISOJRQN-LBPRGKRZSA-N 1 2 344.871 4.308 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270018 1032575953 /nfs/dbraw/zinc/57/59/53/1032575953.db2.gz ZAOVHNQISOJRQN-LBPRGKRZSA-N 1 2 344.871 4.308 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cccc(C#N)c3F)[C@H](C)CO2)c1 ZINC000512457235 1032818752 /nfs/dbraw/zinc/81/87/52/1032818752.db2.gz REGHRECQWCJJPA-OXQOHEQNSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cccc(C#N)c3F)[C@H](C)CO2)c1 ZINC000512457235 1032818754 /nfs/dbraw/zinc/81/87/54/1032818754.db2.gz REGHRECQWCJJPA-OXQOHEQNSA-N 1 2 338.426 4.276 20 30 EIEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000109103338 1019530898 /nfs/dbraw/zinc/53/08/98/1019530898.db2.gz RFLGAWNUCQPFAR-UHFFFAOYSA-N 1 2 334.419 4.047 20 30 EIEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000109103338 1019530905 /nfs/dbraw/zinc/53/09/05/1019530905.db2.gz RFLGAWNUCQPFAR-UHFFFAOYSA-N 1 2 334.419 4.047 20 30 EIEDLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1C#N ZINC000127054249 1019589103 /nfs/dbraw/zinc/58/91/03/1019589103.db2.gz BCHRPGZTAQYDPR-UHFFFAOYSA-N 1 2 338.798 4.018 20 30 EIEDLO Cc1[nH+]cc(Nc2cc(Cl)c(Br)cc2C#N)cc1N ZINC001210291692 1021008049 /nfs/dbraw/zinc/00/80/49/1021008049.db2.gz QOCOCJHFNQQORB-UHFFFAOYSA-N 1 2 337.608 4.003 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329607 1021665505 /nfs/dbraw/zinc/66/55/05/1021665505.db2.gz ABLQIZRDNAULPQ-FGZHOGPDSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329607 1021665519 /nfs/dbraw/zinc/66/55/19/1021665519.db2.gz ABLQIZRDNAULPQ-FGZHOGPDSA-N 1 2 342.446 4.144 20 30 EIEDLO CC(C)(C)c1ccc(C#N)c(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000613412119 1021975533 /nfs/dbraw/zinc/97/55/33/1021975533.db2.gz NWKDEHGVOZLYDZ-UHFFFAOYSA-N 1 2 349.482 4.248 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001167421532 1022275600 /nfs/dbraw/zinc/27/56/00/1022275600.db2.gz VYNFQKNIOPEMLJ-LJQANCHMSA-N 1 2 327.880 4.482 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001167421532 1022275617 /nfs/dbraw/zinc/27/56/17/1022275617.db2.gz VYNFQKNIOPEMLJ-LJQANCHMSA-N 1 2 327.880 4.482 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ccccc1OCCOC ZINC000511537256 1022352385 /nfs/dbraw/zinc/35/23/85/1022352385.db2.gz MQTLNTSCHLKFPG-UHFFFAOYSA-N 1 2 329.415 4.039 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ccccc1OCCOC ZINC000511537256 1022352414 /nfs/dbraw/zinc/35/24/14/1022352414.db2.gz MQTLNTSCHLKFPG-UHFFFAOYSA-N 1 2 329.415 4.039 20 30 EIEDLO COc1cccc([C@H](C)[NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)c1 ZINC000378435098 1022816395 /nfs/dbraw/zinc/81/63/95/1022816395.db2.gz MJBDOJHYAZKISP-AWEZNQCLSA-N 1 2 333.391 4.073 20 30 EIEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C)n1cc[nH+]c1 ZINC000584783274 1023315141 /nfs/dbraw/zinc/31/51/41/1023315141.db2.gz AAVRQQSKBJLDPX-XQQFMLRXSA-N 1 2 342.468 4.092 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)c[nH+]c12 ZINC000588421499 1023501739 /nfs/dbraw/zinc/50/17/39/1023501739.db2.gz KBTYQYTYNYYTHY-ALCCZGGFSA-N 1 2 341.754 4.100 20 30 EIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000617042722 1023946966 /nfs/dbraw/zinc/94/69/66/1023946966.db2.gz VGOKKRZNEUGHFF-QYZOEREBSA-N 1 2 337.467 4.183 20 30 EIEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000651748277 1023971230 /nfs/dbraw/zinc/97/12/30/1023971230.db2.gz GKDZJBIXFLQWDK-XOKHGSTOSA-N 1 2 331.847 4.455 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000595621075 1024290150 /nfs/dbraw/zinc/29/01/50/1024290150.db2.gz SDTPTBKBGJEHFG-LBPRGKRZSA-N 1 2 333.407 4.214 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000595621075 1024290173 /nfs/dbraw/zinc/29/01/73/1024290173.db2.gz SDTPTBKBGJEHFG-LBPRGKRZSA-N 1 2 333.407 4.214 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2cccc(C#N)c2)c1 ZINC000178395292 1024653924 /nfs/dbraw/zinc/65/39/24/1024653924.db2.gz ZYIFGLKVHVZSQQ-UHFFFAOYSA-N 1 2 348.475 4.259 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2cccc(C#N)c2)c1 ZINC000178395292 1024653934 /nfs/dbraw/zinc/65/39/34/1024653934.db2.gz ZYIFGLKVHVZSQQ-UHFFFAOYSA-N 1 2 348.475 4.259 20 30 EIEDLO N#CC1(F)CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000510888219 1024747350 /nfs/dbraw/zinc/74/73/50/1024747350.db2.gz VDMKBPXOFSPATH-UHFFFAOYSA-N 1 2 333.259 4.413 20 30 EIEDLO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cc1F ZINC000053899186 1025048099 /nfs/dbraw/zinc/04/80/99/1025048099.db2.gz KPGCGFHPIRAHIJ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cc1F ZINC000053899186 1025048116 /nfs/dbraw/zinc/04/81/16/1025048116.db2.gz KPGCGFHPIRAHIJ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994817 1025241248 /nfs/dbraw/zinc/24/12/48/1025241248.db2.gz NFWGEICKPHJBEM-FQEVSTJZSA-N 1 2 345.450 4.221 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994817 1025241274 /nfs/dbraw/zinc/24/12/74/1025241274.db2.gz NFWGEICKPHJBEM-FQEVSTJZSA-N 1 2 345.450 4.221 20 30 EIEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517173 1025899286 /nfs/dbraw/zinc/89/92/86/1025899286.db2.gz ODEPHKNITXHYJG-FZKQIMNGSA-N 1 2 339.395 4.341 20 30 EIEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517173 1025899292 /nfs/dbraw/zinc/89/92/92/1025899292.db2.gz ODEPHKNITXHYJG-FZKQIMNGSA-N 1 2 339.395 4.341 20 30 EIEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000609513032 1026130764 /nfs/dbraw/zinc/13/07/64/1026130764.db2.gz IMSCVGHBPXKRJI-AWEZNQCLSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(F)c1 ZINC000609513032 1026130773 /nfs/dbraw/zinc/13/07/73/1026130773.db2.gz IMSCVGHBPXKRJI-AWEZNQCLSA-N 1 2 345.368 4.052 20 30 EIEDLO Cc1cc(CO[C@@H](C)C(F)(F)C(F)(F)C(F)(F)F)cc(C)[nH+]1 ZINC001223422544 1026278462 /nfs/dbraw/zinc/27/84/62/1026278462.db2.gz XITYLDRKIRHQDM-VIFPVBQESA-N 1 2 333.247 4.436 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1nc2ccccc2o1 ZINC000512213130 1026475328 /nfs/dbraw/zinc/47/53/28/1026475328.db2.gz QHWRGACZLGVRDQ-AWEZNQCLSA-N 1 2 326.396 4.052 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1nc2ccccc2o1 ZINC000512213130 1026475340 /nfs/dbraw/zinc/47/53/40/1026475340.db2.gz QHWRGACZLGVRDQ-AWEZNQCLSA-N 1 2 326.396 4.052 20 30 EIEDLO Clc1ccccc1C#CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000135168084 1026897735 /nfs/dbraw/zinc/89/77/35/1026897735.db2.gz RZKZVWWVNSODPY-OAQYLSRUSA-N 1 2 332.834 4.466 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc(C)c1OCc1ccccn1 ZINC000896504203 1027526662 /nfs/dbraw/zinc/52/66/62/1027526662.db2.gz CPXLTAGRVCEYII-SFHVURJKSA-N 1 2 335.451 4.013 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc(C)c1OCc1ccccn1 ZINC000896504203 1027526671 /nfs/dbraw/zinc/52/66/71/1027526671.db2.gz CPXLTAGRVCEYII-SFHVURJKSA-N 1 2 335.451 4.013 20 30 EIEDLO CC(C)(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccnc1 ZINC000329122932 1027600797 /nfs/dbraw/zinc/60/07/97/1027600797.db2.gz WXFWEPIMMBIBTC-UHFFFAOYSA-N 1 2 344.484 4.090 20 30 EIEDLO O=C(C[C@H]1CCCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000328755804 1027804127 /nfs/dbraw/zinc/80/41/27/1027804127.db2.gz FLQAWTPJTJAOFD-MRXNPFEDSA-N 1 2 339.439 4.434 20 30 EIEDLO CC(C)(C)[C@H]1CCc2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2C1 ZINC000329481012 1027812601 /nfs/dbraw/zinc/81/26/01/1027812601.db2.gz DFUWXLDFIFJINF-NSHDSACASA-N 1 2 332.473 4.238 20 30 EIEDLO CCS[C@@H](C)c1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247996117 1028066797 /nfs/dbraw/zinc/06/67/97/1028066797.db2.gz JXJQMEJYQMRJLZ-KGLIPLIRSA-N 1 2 344.484 4.338 20 30 EIEDLO CCS[C@@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247996117 1028066822 /nfs/dbraw/zinc/06/68/22/1028066822.db2.gz JXJQMEJYQMRJLZ-KGLIPLIRSA-N 1 2 344.484 4.338 20 30 EIEDLO Cc1cn2cc(NC(=O)c3scnc3C3CCCC3)ccc2[nH+]1 ZINC000329721073 1028077527 /nfs/dbraw/zinc/07/75/27/1028077527.db2.gz APAIGRBAKAONEE-UHFFFAOYSA-N 1 2 326.425 4.393 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000161711808 1028746369 /nfs/dbraw/zinc/74/63/69/1028746369.db2.gz XTOIUQWEKDAJMV-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000161711808 1028746382 /nfs/dbraw/zinc/74/63/82/1028746382.db2.gz XTOIUQWEKDAJMV-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1F ZINC000583657185 1029006620 /nfs/dbraw/zinc/00/66/20/1029006620.db2.gz CLYYCEVHLXHNBC-NSHDSACASA-N 1 2 342.805 4.088 20 30 EIEDLO COc1c(C)c[nH+]c(CN(C)c2cccc(C(F)F)c2C#N)c1C ZINC000583782922 1029171352 /nfs/dbraw/zinc/17/13/52/1029171352.db2.gz ICZDRWUBXOTUPN-UHFFFAOYSA-N 1 2 331.366 4.153 20 30 EIEDLO C=CC[C@H]1N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1(C)C ZINC000278493406 1029348116 /nfs/dbraw/zinc/34/81/16/1029348116.db2.gz WKGDCPFRXKINOS-LJQANCHMSA-N 1 2 337.467 4.138 20 30 EIEDLO CCc1noc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611807432 1029642393 /nfs/dbraw/zinc/64/23/93/1029642393.db2.gz CNNATSDDKRPJMU-CQSZACIVSA-N 1 2 332.407 4.021 20 30 EIEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccccc1Br ZINC000428342458 1029667284 /nfs/dbraw/zinc/66/72/84/1029667284.db2.gz WELZTDVEFILPJY-UHFFFAOYSA-N 1 2 347.231 4.485 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1ccco1 ZINC000159337779 1029691786 /nfs/dbraw/zinc/69/17/86/1029691786.db2.gz BLMRYAFJOCXHQG-GJZGRUSLSA-N 1 2 344.484 4.082 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1ccco1 ZINC000159337779 1029691795 /nfs/dbraw/zinc/69/17/95/1029691795.db2.gz BLMRYAFJOCXHQG-GJZGRUSLSA-N 1 2 344.484 4.082 20 30 EIEDLO C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181628739 1029901762 /nfs/dbraw/zinc/90/17/62/1029901762.db2.gz QOJPVHXSZPAJGE-BEFAXECRSA-N 1 2 349.459 4.486 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000127489030 1030129487 /nfs/dbraw/zinc/12/94/87/1030129487.db2.gz RFKLWJSPRJQVMF-HUUCEWRRSA-N 1 2 332.407 4.329 20 30 EIEDLO C=CCOc1c(Br)cc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1OC ZINC000525996759 1030157682 /nfs/dbraw/zinc/15/76/82/1030157682.db2.gz GCVODGLPAOFBBJ-RYUDHWBXSA-N 1 2 340.261 4.005 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(C)=O)c1 ZINC000450983244 1030157770 /nfs/dbraw/zinc/15/77/70/1030157770.db2.gz PFANJVPVSPJQMJ-UHFFFAOYSA-N 1 2 325.456 4.245 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(C)=O)c1 ZINC000450983244 1030157782 /nfs/dbraw/zinc/15/77/82/1030157782.db2.gz PFANJVPVSPJQMJ-UHFFFAOYSA-N 1 2 325.456 4.245 20 30 EIEDLO N#C[C@@H]1C[N@@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000451059098 1030212256 /nfs/dbraw/zinc/21/22/56/1030212256.db2.gz HUTXGNWQSCQSJL-QUCCMNQESA-N 1 2 336.410 4.028 20 30 EIEDLO N#C[C@@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000451059098 1030212281 /nfs/dbraw/zinc/21/22/81/1030212281.db2.gz HUTXGNWQSCQSJL-QUCCMNQESA-N 1 2 336.410 4.028 20 30 EIEDLO Cc1cc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Br ZINC001140697860 1030291133 /nfs/dbraw/zinc/29/11/33/1030291133.db2.gz JFMWUPGKOCAGHQ-DEZZGGKRSA-N 1 2 337.236 4.163 20 30 EIEDLO Cc1cc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Br ZINC001140697860 1030291149 /nfs/dbraw/zinc/29/11/49/1030291149.db2.gz JFMWUPGKOCAGHQ-DEZZGGKRSA-N 1 2 337.236 4.163 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OC)c1F ZINC000685443166 1030318060 /nfs/dbraw/zinc/31/80/60/1030318060.db2.gz YFIOPFKMAKMGFU-UHFFFAOYSA-N 1 2 331.435 4.190 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OC)c1F ZINC000685443166 1030318078 /nfs/dbraw/zinc/31/80/78/1030318078.db2.gz YFIOPFKMAKMGFU-UHFFFAOYSA-N 1 2 331.435 4.190 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781755 1030335169 /nfs/dbraw/zinc/33/51/69/1030335169.db2.gz GONIMGWQLQEPOF-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329611 1030743656 /nfs/dbraw/zinc/74/36/56/1030743656.db2.gz ABLQIZRDNAULPQ-YADHBBJMSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329611 1030743678 /nfs/dbraw/zinc/74/36/78/1030743678.db2.gz ABLQIZRDNAULPQ-YADHBBJMSA-N 1 2 342.446 4.144 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000612161870 1031069228 /nfs/dbraw/zinc/06/92/28/1031069228.db2.gz WMRZBEZOLDWINC-NRFANRHFSA-N 1 2 330.435 4.127 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000612161870 1031069246 /nfs/dbraw/zinc/06/92/46/1031069246.db2.gz WMRZBEZOLDWINC-NRFANRHFSA-N 1 2 330.435 4.127 20 30 EIEDLO C=CCC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000123079711 1031283023 /nfs/dbraw/zinc/28/30/23/1031283023.db2.gz VUDTZXGAEBMEHE-OAQYLSRUSA-N 1 2 345.446 4.369 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000365256388 1031574857 /nfs/dbraw/zinc/57/48/57/1031574857.db2.gz NIBGLSHVKFWLEA-NRFANRHFSA-N 1 2 349.384 4.453 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000365256388 1031574867 /nfs/dbraw/zinc/57/48/67/1031574867.db2.gz NIBGLSHVKFWLEA-NRFANRHFSA-N 1 2 349.384 4.453 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000132294269 1031913900 /nfs/dbraw/zinc/91/39/00/1031913900.db2.gz LFJARZUXVNWDQN-SECBINFHSA-N 1 2 335.167 4.202 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000132294269 1031913919 /nfs/dbraw/zinc/91/39/19/1031913919.db2.gz LFJARZUXVNWDQN-SECBINFHSA-N 1 2 335.167 4.202 20 30 EIEDLO CC(C)c1nc(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)no1 ZINC000428731101 1033347661 /nfs/dbraw/zinc/34/76/61/1033347661.db2.gz XUMYQSDYSNLGTC-UHFFFAOYSA-N 1 2 343.858 4.078 20 30 EIEDLO C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611128 1033493011 /nfs/dbraw/zinc/49/30/11/1033493011.db2.gz HZPNTGKKPIJCDJ-VQIMIIECSA-N 1 2 337.442 4.013 20 30 EIEDLO C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611128 1033493021 /nfs/dbraw/zinc/49/30/21/1033493021.db2.gz HZPNTGKKPIJCDJ-VQIMIIECSA-N 1 2 337.442 4.013 20 30 EIEDLO N#CCCC[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1ccccc1 ZINC000433017233 1033657970 /nfs/dbraw/zinc/65/79/70/1033657970.db2.gz XPJDZKXFZJGNHC-SFHVURJKSA-N 1 2 332.407 4.261 20 30 EIEDLO COc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1C#N ZINC000151119621 1034658959 /nfs/dbraw/zinc/65/89/59/1034658959.db2.gz GPMKCHMGNIZZNN-NRFANRHFSA-N 1 2 348.402 4.048 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(Br)cc1C(F)(F)F ZINC000353377815 1035445401 /nfs/dbraw/zinc/44/54/01/1035445401.db2.gz FZZFOCRDJMTSBN-UHFFFAOYSA-N 1 2 335.167 4.203 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)cc1C(F)(F)F ZINC000353377815 1035445407 /nfs/dbraw/zinc/44/54/07/1035445407.db2.gz FZZFOCRDJMTSBN-UHFFFAOYSA-N 1 2 335.167 4.203 20 30 EIEDLO C#CCOc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000151120116 1035508918 /nfs/dbraw/zinc/50/89/18/1035508918.db2.gz LXQWBDLGICNORB-QFIPXVFZSA-N 1 2 347.414 4.179 20 30 EIEDLO COc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1OCCCC#N ZINC000595000285 1035524660 /nfs/dbraw/zinc/52/46/60/1035524660.db2.gz JIPYTVVSKNIBLN-UHFFFAOYSA-N 1 2 340.414 4.149 20 30 EIEDLO C#CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)[C@H]1CCc2ccccc21 ZINC000490877049 1035703671 /nfs/dbraw/zinc/70/36/71/1035703671.db2.gz WCBCUDRJJMDUQA-RBUKOAKNSA-N 1 2 338.476 4.117 20 30 EIEDLO C#CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)[C@H]1CCc2ccccc21 ZINC000490877049 1035703695 /nfs/dbraw/zinc/70/36/95/1035703695.db2.gz WCBCUDRJJMDUQA-RBUKOAKNSA-N 1 2 338.476 4.117 20 30 EIEDLO N#CCC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC1 ZINC000596997118 1036073432 /nfs/dbraw/zinc/07/34/32/1036073432.db2.gz YMDRZNDRVCBAJF-UHFFFAOYSA-N 1 2 325.387 4.139 20 30 EIEDLO N#CCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC1 ZINC000596997118 1036073454 /nfs/dbraw/zinc/07/34/54/1036073454.db2.gz YMDRZNDRVCBAJF-UHFFFAOYSA-N 1 2 325.387 4.139 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176488 1036143694 /nfs/dbraw/zinc/14/36/94/1036143694.db2.gz ICNAYIWAFDIERD-GFCCVEGCSA-N 1 2 326.271 4.185 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176488 1036143700 /nfs/dbraw/zinc/14/37/00/1036143700.db2.gz ICNAYIWAFDIERD-GFCCVEGCSA-N 1 2 326.271 4.185 20 30 EIEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814206 1036731388 /nfs/dbraw/zinc/73/13/88/1036731388.db2.gz FHWDVTHDRHHHKB-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814206 1036731414 /nfs/dbraw/zinc/73/14/14/1036731414.db2.gz FHWDVTHDRHHHKB-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815722 1036731819 /nfs/dbraw/zinc/73/18/19/1036731819.db2.gz MKNFPVRIGSPHFP-MGPUTAFESA-N 1 2 329.488 4.033 20 30 EIEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815722 1036731840 /nfs/dbraw/zinc/73/18/40/1036731840.db2.gz MKNFPVRIGSPHFP-MGPUTAFESA-N 1 2 329.488 4.033 20 30 EIEDLO Cc1ccc2sc(C[N@@H+]3CCc4c(CC#N)cccc4C3)nc2c1 ZINC000599677953 1037118991 /nfs/dbraw/zinc/11/89/91/1037118991.db2.gz NRRKDJCMRGWZQA-UHFFFAOYSA-N 1 2 333.460 4.229 20 30 EIEDLO Cc1ccc2sc(C[N@H+]3CCc4c(CC#N)cccc4C3)nc2c1 ZINC000599677953 1037119001 /nfs/dbraw/zinc/11/90/01/1037119001.db2.gz NRRKDJCMRGWZQA-UHFFFAOYSA-N 1 2 333.460 4.229 20 30 EIEDLO N#Cc1ccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)nc1 ZINC000783292379 1037724778 /nfs/dbraw/zinc/72/47/78/1037724778.db2.gz AQWBBJLEUZHFAX-UHFFFAOYSA-N 1 2 335.357 4.111 20 30 EIEDLO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccncc1C#N ZINC000592067961 1037732330 /nfs/dbraw/zinc/73/23/30/1037732330.db2.gz FGKRYICVUJFBEL-UHFFFAOYSA-N 1 2 333.357 4.383 20 30 EIEDLO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccncc1C#N ZINC000592067961 1037732352 /nfs/dbraw/zinc/73/23/52/1037732352.db2.gz FGKRYICVUJFBEL-UHFFFAOYSA-N 1 2 333.357 4.383 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccs1 ZINC000669730960 1037892048 /nfs/dbraw/zinc/89/20/48/1037892048.db2.gz VOUQZUNWWVMEHH-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)Cc1cccs1 ZINC000669730960 1037892054 /nfs/dbraw/zinc/89/20/54/1037892054.db2.gz VOUQZUNWWVMEHH-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO CCO[C@H](C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594031900 1038228305 /nfs/dbraw/zinc/22/83/05/1038228305.db2.gz NQCNDPOLTFAKAF-CQSZACIVSA-N 1 2 341.480 4.281 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000490051070 1038323073 /nfs/dbraw/zinc/32/30/73/1038323073.db2.gz UGFSHBLPUJFBPU-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000490051070 1038323090 /nfs/dbraw/zinc/32/30/90/1038323090.db2.gz UGFSHBLPUJFBPU-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405642 1040267104 /nfs/dbraw/zinc/26/71/04/1040267104.db2.gz WWYAVXBIGMNRHJ-IBGZPJMESA-N 1 2 330.353 4.102 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405642 1040267123 /nfs/dbraw/zinc/26/71/23/1040267123.db2.gz WWYAVXBIGMNRHJ-IBGZPJMESA-N 1 2 330.353 4.102 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(CC)CC ZINC000554243278 1040911587 /nfs/dbraw/zinc/91/15/87/1040911587.db2.gz PTXIMWGJZOXFPV-GFCCVEGCSA-N 1 2 328.909 4.083 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(CC)CC ZINC000554243278 1040911602 /nfs/dbraw/zinc/91/16/02/1040911602.db2.gz PTXIMWGJZOXFPV-GFCCVEGCSA-N 1 2 328.909 4.083 20 30 EIEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000505833446 1041273266 /nfs/dbraw/zinc/27/32/66/1041273266.db2.gz OVAFDYHDBZSMAO-UHFFFAOYSA-N 1 2 346.833 4.496 20 30 EIEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000505833446 1041273279 /nfs/dbraw/zinc/27/32/79/1041273279.db2.gz OVAFDYHDBZSMAO-UHFFFAOYSA-N 1 2 346.833 4.496 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccccc1COC(C)C)c1cccc(C#N)c1O ZINC000924794645 1041321097 /nfs/dbraw/zinc/32/10/97/1041321097.db2.gz GUCOLMBBTROUJD-HXUWFJFHSA-N 1 2 338.451 4.430 20 30 EIEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nccs1 ZINC000437890523 1041950929 /nfs/dbraw/zinc/95/09/29/1041950929.db2.gz PLPBMPQAWBHHMH-MRXNPFEDSA-N 1 2 337.395 4.031 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccccc1 ZINC000437895915 1041955849 /nfs/dbraw/zinc/95/58/49/1041955849.db2.gz MNJSLRCXGQCGOL-UGSOOPFHSA-N 1 2 328.362 4.353 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccccc1 ZINC000437895915 1041955861 /nfs/dbraw/zinc/95/58/61/1041955861.db2.gz MNJSLRCXGQCGOL-UGSOOPFHSA-N 1 2 328.362 4.353 20 30 EIEDLO N#Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(OC(F)F)c1 ZINC000437910453 1041966738 /nfs/dbraw/zinc/96/67/38/1041966738.db2.gz PQKYTZAOYMHZDF-UHFFFAOYSA-N 1 2 349.406 4.175 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000491702403 1042490222 /nfs/dbraw/zinc/49/02/22/1042490222.db2.gz WAUITSZZSHVRKM-JKSUJKDBSA-N 1 2 332.856 4.112 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000439453048 1042637130 /nfs/dbraw/zinc/63/71/30/1042637130.db2.gz NPFITPAAQOJRAW-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000439453048 1042637137 /nfs/dbraw/zinc/63/71/37/1042637137.db2.gz NPFITPAAQOJRAW-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO C=CCCC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456686 1042639018 /nfs/dbraw/zinc/63/90/18/1042639018.db2.gz ZEOFWZZTPLNLRB-WFASDCNBSA-N 1 2 338.377 4.247 20 30 EIEDLO C=CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(Cl)s1 ZINC000350300832 1042964008 /nfs/dbraw/zinc/96/40/08/1042964008.db2.gz LWTAWRJOOUAORY-UHFFFAOYSA-N 1 2 331.819 4.051 20 30 EIEDLO C=CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(Cl)s1 ZINC000350300832 1042964013 /nfs/dbraw/zinc/96/40/13/1042964013.db2.gz LWTAWRJOOUAORY-UHFFFAOYSA-N 1 2 331.819 4.051 20 30 EIEDLO CCC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000076995374 1043196712 /nfs/dbraw/zinc/19/67/12/1043196712.db2.gz SYNZLZKUZBFLRQ-UHFFFAOYSA-N 1 2 344.462 4.215 20 30 EIEDLO CCC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000076995374 1043196726 /nfs/dbraw/zinc/19/67/26/1043196726.db2.gz SYNZLZKUZBFLRQ-UHFFFAOYSA-N 1 2 344.462 4.215 20 30 EIEDLO C=CCC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000428015105 1043298609 /nfs/dbraw/zinc/29/86/09/1043298609.db2.gz REIYKMUUDNFWHN-HXUWFJFHSA-N 1 2 345.446 4.239 20 30 EIEDLO C=CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000186985197 1043321520 /nfs/dbraw/zinc/32/15/20/1043321520.db2.gz IXZPHGVIBAXISK-KRWDZBQOSA-N 1 2 335.382 4.310 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000730148552 1043455697 /nfs/dbraw/zinc/45/56/97/1043455697.db2.gz XDFFHZFPOINQDB-UHFFFAOYSA-N 1 2 327.334 4.094 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ncc(-c3cccs3)o2)C2CC2)cc1 ZINC000171758739 1043671870 /nfs/dbraw/zinc/67/18/70/1043671870.db2.gz XUQRLOGCKUKWDI-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ncc(-c3cccs3)o2)C2CC2)cc1 ZINC000171758739 1043671890 /nfs/dbraw/zinc/67/18/90/1043671890.db2.gz XUQRLOGCKUKWDI-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731159694 1043704287 /nfs/dbraw/zinc/70/42/87/1043704287.db2.gz VBXQUDIXTZTKCA-VOTSOKGWSA-N 1 2 329.812 4.391 20 30 EIEDLO N#Cc1ccc(C2([NH2+]Cc3csc(C(F)(F)F)n3)CCC2)cc1 ZINC000895215724 1044343235 /nfs/dbraw/zinc/34/32/35/1044343235.db2.gz PXYBZCGTWGOCGI-UHFFFAOYSA-N 1 2 337.370 4.203 20 30 EIEDLO C[NH+](C)[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000543391377 1044490330 /nfs/dbraw/zinc/49/03/30/1044490330.db2.gz MTHMCBZNORWJFB-MRXNPFEDSA-N 1 2 348.233 4.106 20 30 EIEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000494936994 1044534839 /nfs/dbraw/zinc/53/48/39/1044534839.db2.gz KJLITRNUCVZAJA-AZUAARDMSA-N 1 2 338.426 4.496 20 30 EIEDLO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000494936994 1044534851 /nfs/dbraw/zinc/53/48/51/1044534851.db2.gz KJLITRNUCVZAJA-AZUAARDMSA-N 1 2 338.426 4.496 20 30 EIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443660286 1044653564 /nfs/dbraw/zinc/65/35/64/1044653564.db2.gz QWMOVVBYKULRQQ-HNNXBMFYSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443660286 1044653570 /nfs/dbraw/zinc/65/35/70/1044653570.db2.gz QWMOVVBYKULRQQ-HNNXBMFYSA-N 1 2 330.790 4.004 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000118397571 1044667963 /nfs/dbraw/zinc/66/79/63/1044667963.db2.gz WLFUJFVERQUSMC-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000118397571 1044667965 /nfs/dbraw/zinc/66/79/65/1044667965.db2.gz WLFUJFVERQUSMC-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO CC(C)COC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000543486679 1044705844 /nfs/dbraw/zinc/70/58/44/1044705844.db2.gz WGLVJKCQOXBUGS-SFHVURJKSA-N 1 2 331.843 4.288 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940987 1044880286 /nfs/dbraw/zinc/88/02/86/1044880286.db2.gz STHQFXSPQOLGDP-OAHLLOKOSA-N 1 2 340.389 4.029 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940987 1044880292 /nfs/dbraw/zinc/88/02/92/1044880292.db2.gz STHQFXSPQOLGDP-OAHLLOKOSA-N 1 2 340.389 4.029 20 30 EIEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000331172564 1044933618 /nfs/dbraw/zinc/93/36/18/1044933618.db2.gz OPDVNYQDPFKSST-KBPBESRZSA-N 1 2 339.361 4.045 20 30 EIEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000331172564 1044933641 /nfs/dbraw/zinc/93/36/41/1044933641.db2.gz OPDVNYQDPFKSST-KBPBESRZSA-N 1 2 339.361 4.045 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861697 1045232230 /nfs/dbraw/zinc/23/22/30/1045232230.db2.gz XYQHMFIWWSUFMS-UONOGXRCSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861697 1045232241 /nfs/dbraw/zinc/23/22/41/1045232241.db2.gz XYQHMFIWWSUFMS-UONOGXRCSA-N 1 2 346.475 4.094 20 30 EIEDLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611388140 1045294259 /nfs/dbraw/zinc/29/42/59/1045294259.db2.gz XEKOCGDKNKVARU-HUUCEWRRSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611388139 1045294855 /nfs/dbraw/zinc/29/48/55/1045294855.db2.gz XEKOCGDKNKVARU-GJZGRUSLSA-N 1 2 332.407 4.329 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(C#N)c1 ZINC000611389411 1045295937 /nfs/dbraw/zinc/29/59/37/1045295937.db2.gz VQTSHSVFNBPCBO-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2OC)cc1 ZINC000130428564 1045660064 /nfs/dbraw/zinc/66/00/64/1045660064.db2.gz DUPQMJJKEWNGHD-OAQYLSRUSA-N 1 2 348.402 4.048 20 30 EIEDLO Cc1cc(C)c(NC(=O)Nc2cccc(OCCCC#N)c2)c(C)[nH+]1 ZINC000455462322 1045661432 /nfs/dbraw/zinc/66/14/32/1045661432.db2.gz BYHCTCPXCAMFHO-UHFFFAOYSA-N 1 2 338.411 4.333 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](CCC#N)CC(C)C ZINC000768153912 1045725925 /nfs/dbraw/zinc/72/59/25/1045725925.db2.gz PNNRUJVADCABOS-UHFFFAOYSA-N 1 2 330.863 4.206 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](CCC#N)CC(C)C ZINC000768153912 1045725940 /nfs/dbraw/zinc/72/59/40/1045725940.db2.gz PNNRUJVADCABOS-UHFFFAOYSA-N 1 2 330.863 4.206 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768168218 1045735176 /nfs/dbraw/zinc/73/51/76/1045735176.db2.gz CKBAGDVYAKIUKO-CYBMUJFWSA-N 1 2 332.806 4.402 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768168218 1045735156 /nfs/dbraw/zinc/73/51/56/1045735156.db2.gz CKBAGDVYAKIUKO-CYBMUJFWSA-N 1 2 332.806 4.402 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000743045288 1045763359 /nfs/dbraw/zinc/76/33/59/1045763359.db2.gz DIRYTSJQMJHPBA-JLBMLGSFSA-N 1 2 339.435 4.296 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1cccs1 ZINC000763331877 1045824031 /nfs/dbraw/zinc/82/40/31/1045824031.db2.gz JUSOCYUJTMYEGY-AWEZNQCLSA-N 1 2 346.525 4.018 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1cccs1 ZINC000763331877 1045824032 /nfs/dbraw/zinc/82/40/32/1045824032.db2.gz JUSOCYUJTMYEGY-AWEZNQCLSA-N 1 2 346.525 4.018 20 30 EIEDLO C=CCOc1cccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000768918047 1045860616 /nfs/dbraw/zinc/86/06/16/1045860616.db2.gz GCKZGZJTYLZBSH-UHFFFAOYSA-N 1 2 333.435 4.069 20 30 EIEDLO C=CCOc1cccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000768918047 1045860613 /nfs/dbraw/zinc/86/06/13/1045860613.db2.gz GCKZGZJTYLZBSH-UHFFFAOYSA-N 1 2 333.435 4.069 20 30 EIEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000916245051 1045967983 /nfs/dbraw/zinc/96/79/83/1045967983.db2.gz QQFCCLSZCCPICA-UHFFFAOYSA-N 1 2 330.413 4.093 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCCCC2)cc1 ZINC000769606205 1046030784 /nfs/dbraw/zinc/03/07/84/1046030784.db2.gz CDQOTOGBRXJVHY-VAWYXSNFSA-N 1 2 331.419 4.221 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(Cl)ccc1OC(F)F ZINC000769610996 1046032376 /nfs/dbraw/zinc/03/23/76/1046032376.db2.gz UTKOEOAVBFEZAB-WAYWQWQTSA-N 1 2 348.736 4.485 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000769608923 1046033383 /nfs/dbraw/zinc/03/33/83/1046033383.db2.gz VTORGVKYJDVWKP-CSKARUKUSA-N 1 2 345.185 4.300 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)cs1 ZINC000769609144 1046033619 /nfs/dbraw/zinc/03/36/19/1046033619.db2.gz GRXMUXGVISTFSW-MDZDMXLPSA-N 1 2 331.400 4.354 20 30 EIEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396787 1046127455 /nfs/dbraw/zinc/12/74/55/1046127455.db2.gz GDHVQAXSTXBBTC-KRWDZBQOSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396787 1046127462 /nfs/dbraw/zinc/12/74/62/1046127462.db2.gz GDHVQAXSTXBBTC-KRWDZBQOSA-N 1 2 335.234 4.030 20 30 EIEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770382509 1046187296 /nfs/dbraw/zinc/18/72/96/1046187296.db2.gz GFBHTXPVIYNRAU-FQEVSTJZSA-N 1 2 340.854 4.402 20 30 EIEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770382509 1046187312 /nfs/dbraw/zinc/18/73/12/1046187312.db2.gz GFBHTXPVIYNRAU-FQEVSTJZSA-N 1 2 340.854 4.402 20 30 EIEDLO C=CCC(CC=C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000125981822 1046401715 /nfs/dbraw/zinc/40/17/15/1046401715.db2.gz IMDBETVIKMMVEL-AWEZNQCLSA-N 1 2 333.501 4.082 20 30 EIEDLO C=CCC(CC=C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000125981822 1046401724 /nfs/dbraw/zinc/40/17/24/1046401724.db2.gz IMDBETVIKMMVEL-AWEZNQCLSA-N 1 2 333.501 4.082 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(Br)c3)n2c1 ZINC000771837787 1046496459 /nfs/dbraw/zinc/49/64/59/1046496459.db2.gz LJSIEBPVVNUDCC-VOTSOKGWSA-N 1 2 341.208 4.301 20 30 EIEDLO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1Br)C2 ZINC001137632695 1046772644 /nfs/dbraw/zinc/77/26/44/1046772644.db2.gz JGMRJMFVJHFFQC-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1Br)C2 ZINC001137632695 1046772654 /nfs/dbraw/zinc/77/26/54/1046772654.db2.gz JGMRJMFVJHFFQC-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1C(F)(F)F ZINC001143636842 1048130103 /nfs/dbraw/zinc/13/01/03/1048130103.db2.gz PXSWOHNJMFILLU-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1C(F)(F)F ZINC001143636842 1048130111 /nfs/dbraw/zinc/13/01/11/1048130111.db2.gz PXSWOHNJMFILLU-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N ZINC000814688763 1048133268 /nfs/dbraw/zinc/13/32/68/1048133268.db2.gz LOCWJEAMJYGROX-UHFFFAOYSA-N 1 2 338.289 4.032 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccccc1 ZINC000499064106 1048157093 /nfs/dbraw/zinc/15/70/93/1048157093.db2.gz GVISJUOVINYJOC-CQSZACIVSA-N 1 2 348.899 4.094 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccccc1 ZINC000499064106 1048157101 /nfs/dbraw/zinc/15/71/01/1048157101.db2.gz GVISJUOVINYJOC-CQSZACIVSA-N 1 2 348.899 4.094 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704776 1048167034 /nfs/dbraw/zinc/16/70/34/1048167034.db2.gz UWPIJHOHJRPCOP-LLVKDONJSA-N 1 2 332.753 4.364 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704776 1048167044 /nfs/dbraw/zinc/16/70/44/1048167044.db2.gz UWPIJHOHJRPCOP-LLVKDONJSA-N 1 2 332.753 4.364 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001143722469 1048174808 /nfs/dbraw/zinc/17/48/08/1048174808.db2.gz AZOYUEIQHSTQHG-KRWDZBQOSA-N 1 2 326.827 4.255 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001143722469 1048174813 /nfs/dbraw/zinc/17/48/13/1048174813.db2.gz AZOYUEIQHSTQHG-KRWDZBQOSA-N 1 2 326.827 4.255 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000844298133 1048281305 /nfs/dbraw/zinc/28/13/05/1048281305.db2.gz XKJUHFUVSXDNIT-QGZVFWFLSA-N 1 2 343.333 4.082 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000844298133 1048281318 /nfs/dbraw/zinc/28/13/18/1048281318.db2.gz XKJUHFUVSXDNIT-QGZVFWFLSA-N 1 2 343.333 4.082 20 30 EIEDLO C#CCC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCCCC1 ZINC000809303365 1048307401 /nfs/dbraw/zinc/30/74/01/1048307401.db2.gz VLTHKLPUQROGFK-UHFFFAOYSA-N 1 2 346.434 4.207 20 30 EIEDLO N#Cc1cncc(C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1 ZINC001144083871 1048414850 /nfs/dbraw/zinc/41/48/50/1048414850.db2.gz UIOGMPOAMYWHLG-UHFFFAOYSA-N 1 2 349.384 4.434 20 30 EIEDLO N#Cc1ccc(C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)nc1 ZINC001144163637 1048457413 /nfs/dbraw/zinc/45/74/13/1048457413.db2.gz OPDUPVMPTLJQHG-UHFFFAOYSA-N 1 2 349.384 4.434 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(OCOCC)cc1)c1ccc(Cl)cc1F ZINC000809699551 1048460890 /nfs/dbraw/zinc/46/08/90/1048460890.db2.gz PSMOAVAUVMXKNX-IBGZPJMESA-N 1 2 347.817 4.316 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(Cl)cc1F ZINC000809699990 1048465165 /nfs/dbraw/zinc/46/51/65/1048465165.db2.gz VONNOHYKXSPTBG-IBGZPJMESA-N 1 2 339.801 4.129 20 30 EIEDLO N#Cc1ccc(CC2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144199760 1048491164 /nfs/dbraw/zinc/49/11/64/1048491164.db2.gz SAWKTACFDHSPIZ-UHFFFAOYSA-N 1 2 348.425 4.028 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H](C)COCc2ccccc2)c1 ZINC000920173274 1048572854 /nfs/dbraw/zinc/57/28/54/1048572854.db2.gz BLFNZGIFSAAANW-WMRWHDLOSA-N 1 2 327.424 4.063 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cc1Br ZINC001144588902 1048741170 /nfs/dbraw/zinc/74/11/70/1048741170.db2.gz UURNRQNYIBUYBY-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cc1Br ZINC001144588902 1048741173 /nfs/dbraw/zinc/74/11/73/1048741173.db2.gz UURNRQNYIBUYBY-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519271 1048824309 /nfs/dbraw/zinc/82/43/09/1048824309.db2.gz DSKHPDRSHHEXKM-QAPCUYQASA-N 1 2 344.817 4.456 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519271 1048824312 /nfs/dbraw/zinc/82/43/12/1048824312.db2.gz DSKHPDRSHHEXKM-QAPCUYQASA-N 1 2 344.817 4.456 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816521956 1048829896 /nfs/dbraw/zinc/82/98/96/1048829896.db2.gz FPTCUMQFHPOXHU-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816521956 1048829900 /nfs/dbraw/zinc/82/99/00/1048829900.db2.gz FPTCUMQFHPOXHU-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCCN(CC)c2ccccc2)c1O ZINC000747713465 1049058692 /nfs/dbraw/zinc/05/86/92/1049058692.db2.gz ZLNUYVUJIQVQAZ-PGMHBOJBSA-N 1 2 326.440 4.126 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1ccc(Cl)cc1 ZINC000811516253 1049130787 /nfs/dbraw/zinc/13/07/87/1049130787.db2.gz HVTGOODBUNPPNR-ORAYPTAESA-N 1 2 341.838 4.136 20 30 EIEDLO C[C@@H](N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C)c1ccncc1 ZINC000819817551 1049373919 /nfs/dbraw/zinc/37/39/19/1049373919.db2.gz APAXQLJCKVHWHA-LLVKDONJSA-N 1 2 337.254 4.139 20 30 EIEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001171371916 1049530364 /nfs/dbraw/zinc/53/03/64/1049530364.db2.gz CDTIQBAWSZQTNB-OAHLLOKOSA-N 1 2 349.438 4.017 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000820659417 1049534058 /nfs/dbraw/zinc/53/40/58/1049534058.db2.gz ZGHVHGXTQUAIPO-HXUWFJFHSA-N 1 2 346.430 4.173 20 30 EIEDLO CC1(C)CCCC[C@H]1N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000773123975 1049594984 /nfs/dbraw/zinc/59/49/84/1049594984.db2.gz DJRHRRJJNRMQMC-CYBMUJFWSA-N 1 2 340.924 4.289 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171843784 1049812517 /nfs/dbraw/zinc/81/25/17/1049812517.db2.gz AQTHUUUODIJFJL-APWZRJJASA-N 1 2 349.519 4.227 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171843785 1049812753 /nfs/dbraw/zinc/81/27/53/1049812753.db2.gz AQTHUUUODIJFJL-LPHOPBHVSA-N 1 2 349.519 4.227 20 30 EIEDLO C=CCC(F)(F)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000823770450 1049876064 /nfs/dbraw/zinc/87/60/64/1049876064.db2.gz VKCPOHIVHCDVSV-UHFFFAOYSA-N 1 2 331.366 4.036 20 30 EIEDLO [NH2+]=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC001171047480 1049901472 /nfs/dbraw/zinc/90/14/72/1049901472.db2.gz FQJULSJABZDGJI-UHFFFAOYSA-N 1 2 345.324 4.213 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1ncc(C(F)(F)F)cc1Br ZINC001236642226 1050057686 /nfs/dbraw/zinc/05/76/86/1050057686.db2.gz LQQMUPUFPDCKSW-UHFFFAOYSA-N 1 2 337.183 4.261 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1ncc(C(F)(F)F)cc1Br ZINC001236642226 1050057692 /nfs/dbraw/zinc/05/76/92/1050057692.db2.gz LQQMUPUFPDCKSW-UHFFFAOYSA-N 1 2 337.183 4.261 20 30 EIEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(c(Br)ccc2F)C1=O ZINC000901491136 1050139574 /nfs/dbraw/zinc/13/95/74/1050139574.db2.gz RXCARYYRBCOIFW-YHYXMXQVSA-N 1 2 349.203 4.188 20 30 EIEDLO CC(C)Oc1ccc[nH+]c1NCc1cc(C#N)ccc1Br ZINC001178504797 1050483388 /nfs/dbraw/zinc/48/33/88/1050483388.db2.gz DYNZCGFXEPSNCB-UHFFFAOYSA-N 1 2 346.228 4.115 20 30 EIEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000618807701 1050537046 /nfs/dbraw/zinc/53/70/46/1050537046.db2.gz VVUYSZNCTNTFFT-MOPGFXCFSA-N 1 2 326.390 4.402 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+]C3(C#N)CCCC3)CC2)cc1 ZINC001173784829 1050569444 /nfs/dbraw/zinc/56/94/44/1050569444.db2.gz VHCGZFJAYITNAI-UHFFFAOYSA-N 1 2 326.440 4.064 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC001179879164 1050814919 /nfs/dbraw/zinc/81/49/19/1050814919.db2.gz XPIGKSFZLUXZKA-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(F)cccc1OCC ZINC001179966824 1050850190 /nfs/dbraw/zinc/85/01/90/1050850190.db2.gz UVIIAWZKANTPIN-UHFFFAOYSA-N 1 2 329.415 4.421 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(F)cccc1OCC ZINC001179966824 1050850195 /nfs/dbraw/zinc/85/01/95/1050850195.db2.gz UVIIAWZKANTPIN-UHFFFAOYSA-N 1 2 329.415 4.421 20 30 EIEDLO COc1cc(C#N)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1OC ZINC001174381981 1050947176 /nfs/dbraw/zinc/94/71/76/1050947176.db2.gz YNGBPAXMSAJWDY-UHFFFAOYSA-N 1 2 336.395 4.250 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000775399825 1051230615 /nfs/dbraw/zinc/23/06/15/1051230615.db2.gz UYPPYANCCHWIEQ-GFCCVEGCSA-N 1 2 325.280 4.236 20 30 EIEDLO CCCC[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190761341 1051262570 /nfs/dbraw/zinc/26/25/70/1051262570.db2.gz OXSBSMAYKKVOCE-UHFFFAOYSA-N 1 2 341.386 4.408 20 30 EIEDLO CCCC[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190761341 1051262581 /nfs/dbraw/zinc/26/25/81/1051262581.db2.gz OXSBSMAYKKVOCE-UHFFFAOYSA-N 1 2 341.386 4.408 20 30 EIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001190792635 1051279076 /nfs/dbraw/zinc/27/90/76/1051279076.db2.gz WJXIDNZZIQOPGG-HXUWFJFHSA-N 1 2 342.389 4.027 20 30 EIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001190792635 1051279088 /nfs/dbraw/zinc/27/90/88/1051279088.db2.gz WJXIDNZZIQOPGG-HXUWFJFHSA-N 1 2 342.389 4.027 20 30 EIEDLO CCCCCCC[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001175004183 1051290279 /nfs/dbraw/zinc/29/02/79/1051290279.db2.gz NPMRLOUTJBPBEE-SFHVURJKSA-N 1 2 325.880 4.374 20 30 EIEDLO C=CCCOCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000155629414 1051440046 /nfs/dbraw/zinc/44/00/46/1051440046.db2.gz VIYXESUCDGDRGI-LJQANCHMSA-N 1 2 349.434 4.008 20 30 EIEDLO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001182854202 1051723948 /nfs/dbraw/zinc/72/39/48/1051723948.db2.gz GNCWTJZYFQXIPE-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001182854202 1051723960 /nfs/dbraw/zinc/72/39/60/1051723960.db2.gz GNCWTJZYFQXIPE-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184093375 1051817994 /nfs/dbraw/zinc/81/79/94/1051817994.db2.gz LJWHDGBQZVEPFD-NSHDSACASA-N 1 2 333.775 4.290 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000774621053 1051832415 /nfs/dbraw/zinc/83/24/15/1051832415.db2.gz FEZYRRMKSREMIS-KBPBESRZSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000774621053 1051832416 /nfs/dbraw/zinc/83/24/16/1051832416.db2.gz FEZYRRMKSREMIS-KBPBESRZSA-N 1 2 348.541 4.406 20 30 EIEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001194020266 1052051217 /nfs/dbraw/zinc/05/12/17/1052051217.db2.gz QSGUQTHQHLNIIX-UHFFFAOYSA-N 1 2 329.444 4.128 20 30 EIEDLO C#CC[N@@H+](Cc1c2ccccc2oc1C(=O)OCC)Cc1ccccc1 ZINC001194165465 1052094333 /nfs/dbraw/zinc/09/43/33/1052094333.db2.gz SRKNJZDFPCTSRP-UHFFFAOYSA-N 1 2 347.414 4.245 20 30 EIEDLO C#CC[N@H+](Cc1c2ccccc2oc1C(=O)OCC)Cc1ccccc1 ZINC001194165465 1052094340 /nfs/dbraw/zinc/09/43/40/1052094340.db2.gz SRKNJZDFPCTSRP-UHFFFAOYSA-N 1 2 347.414 4.245 20 30 EIEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001176832915 1052195723 /nfs/dbraw/zinc/19/57/23/1052195723.db2.gz MJAJGKUTVDTHPU-HNNXBMFYSA-N 1 2 345.240 4.092 20 30 EIEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001176832915 1052195729 /nfs/dbraw/zinc/19/57/29/1052195729.db2.gz MJAJGKUTVDTHPU-HNNXBMFYSA-N 1 2 345.240 4.092 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000075595376 1052356696 /nfs/dbraw/zinc/35/66/96/1052356696.db2.gz DYBCVBWOFDXTJR-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000075595376 1052356698 /nfs/dbraw/zinc/35/66/98/1052356698.db2.gz DYBCVBWOFDXTJR-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000109374437 1053297092 /nfs/dbraw/zinc/29/70/92/1053297092.db2.gz NKLBAOCEGONJIL-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000109374437 1053297114 /nfs/dbraw/zinc/29/71/14/1053297114.db2.gz NKLBAOCEGONJIL-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc3c(s2)CCCC3)s1 ZINC000794703276 1053321940 /nfs/dbraw/zinc/32/19/40/1053321940.db2.gz RMXOTONJAWHHGH-BQYQJAHWSA-N 1 2 332.494 4.041 20 30 EIEDLO CC(C)Cc1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794725220 1053340729 /nfs/dbraw/zinc/34/07/29/1053340729.db2.gz VXIWFFURJGWZIM-HJWRWDBZSA-N 1 2 328.481 4.299 20 30 EIEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C\c1ncc(C[NH+](C)C)s1 ZINC000794711810 1053347265 /nfs/dbraw/zinc/34/72/65/1053347265.db2.gz FCIVYZOYCTXLFP-YZIPPPLESA-N 1 2 326.465 4.224 20 30 EIEDLO Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)O2 ZINC000794716359 1053348989 /nfs/dbraw/zinc/34/89/89/1053348989.db2.gz ZFVKNJVKJQTKLV-NVNXTCNLSA-N 1 2 342.464 4.253 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764887674 1053358458 /nfs/dbraw/zinc/35/84/58/1053358458.db2.gz YJBBVAFNYKBHRG-ZDUSSCGKSA-N 1 2 336.530 4.262 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764887674 1053358474 /nfs/dbraw/zinc/35/84/74/1053358474.db2.gz YJBBVAFNYKBHRG-ZDUSSCGKSA-N 1 2 336.530 4.262 20 30 EIEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)o2)cc1 ZINC000173552811 1053475335 /nfs/dbraw/zinc/47/53/35/1053475335.db2.gz DESHYPAEEXPVHZ-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)o2)cc1 ZINC000173552811 1053475341 /nfs/dbraw/zinc/47/53/41/1053475341.db2.gz DESHYPAEEXPVHZ-GOSISDBHSA-N 1 2 348.381 4.084 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000852330216 1053571014 /nfs/dbraw/zinc/57/10/14/1053571014.db2.gz BZWQPDLMHUVDMX-CTNGQTDRSA-N 1 2 335.426 4.155 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000852330216 1053571027 /nfs/dbraw/zinc/57/10/27/1053571027.db2.gz BZWQPDLMHUVDMX-CTNGQTDRSA-N 1 2 335.426 4.155 20 30 EIEDLO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852711217 1053604241 /nfs/dbraw/zinc/60/42/41/1053604241.db2.gz CXHOWESYPUSDNZ-ZNMIVQPWSA-N 1 2 341.480 4.126 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1cccc(C#N)c1O ZINC000866220282 1053655037 /nfs/dbraw/zinc/65/50/37/1053655037.db2.gz FLZWICWOZPECGB-NWDGAFQWSA-N 1 2 332.350 4.277 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000853334058 1053668331 /nfs/dbraw/zinc/66/83/31/1053668331.db2.gz ZTAAEAQUXKCLAL-GOSISDBHSA-N 1 2 349.434 4.167 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2)n(CC)c1=S ZINC000853599216 1053689662 /nfs/dbraw/zinc/68/96/62/1053689662.db2.gz LNMSQOKEQDUADO-CALCHBBNSA-N 1 2 340.496 4.241 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2)n(CC)c1=S ZINC000853599216 1053689671 /nfs/dbraw/zinc/68/96/71/1053689671.db2.gz LNMSQOKEQDUADO-CALCHBBNSA-N 1 2 340.496 4.241 20 30 EIEDLO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(C#N)c1O ZINC000866337898 1053695929 /nfs/dbraw/zinc/69/59/29/1053695929.db2.gz VAKXPPWMAOELPD-INIZCTEOSA-N 1 2 335.451 4.105 20 30 EIEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(OC)c(OC)c1 ZINC000866357131 1053701939 /nfs/dbraw/zinc/70/19/39/1053701939.db2.gz HAMUGUQPUBULDH-CXAGYDPISA-N 1 2 340.423 4.083 20 30 EIEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(OC)c1OC ZINC000866508965 1053758128 /nfs/dbraw/zinc/75/81/28/1053758128.db2.gz TVNUWGBYDIVGKJ-CXAGYDPISA-N 1 2 340.423 4.083 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779186 1054108805 /nfs/dbraw/zinc/10/88/05/1054108805.db2.gz USNLHSZWOXLVMO-SNVBAGLBSA-N 1 2 339.748 4.476 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C2\C(=O)c3ccccc3SC2(C)C)s1 ZINC000871671258 1054245970 /nfs/dbraw/zinc/24/59/70/1054245970.db2.gz JOMYTZFCSAEMAY-NTEUORMPSA-N 1 2 344.505 4.355 20 30 EIEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050861 1054360880 /nfs/dbraw/zinc/36/08/80/1054360880.db2.gz CZUMPWDELNJCSR-BBRMVZONSA-N 1 2 327.359 4.430 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC001199403173 1054406575 /nfs/dbraw/zinc/40/65/75/1054406575.db2.gz JUMSFSBLCPWCAR-ZFWWWQNUSA-N 1 2 329.827 4.358 20 30 EIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872237964 1054425673 /nfs/dbraw/zinc/42/56/73/1054425673.db2.gz CBHAIYHHQBRJET-KXBFYZLASA-N 1 2 335.455 4.217 20 30 EIEDLO C=CCOc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873175982 1054501284 /nfs/dbraw/zinc/50/12/84/1054501284.db2.gz ZFLLSHWDJSOEDT-UHFFFAOYSA-N 1 2 326.440 4.044 20 30 EIEDLO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000765818456 1055531393 /nfs/dbraw/zinc/53/13/93/1055531393.db2.gz OKEMCZDQAWPRHT-SCLBCKFNSA-N 1 2 326.419 4.203 20 30 EIEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000765818459 1055533260 /nfs/dbraw/zinc/53/32/60/1055533260.db2.gz OKEMCZDQAWPRHT-UGSOOPFHSA-N 1 2 326.419 4.203 20 30 EIEDLO N#Cc1cccc(Cl)c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301379635 1055928769 /nfs/dbraw/zinc/92/87/69/1055928769.db2.gz TWVWGTOTYRBJOU-UHFFFAOYSA-N 1 2 326.762 4.149 20 30 EIEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000301829061 1055988838 /nfs/dbraw/zinc/98/88/38/1055988838.db2.gz QUMRTINIQNREOV-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737442411 1058332160 /nfs/dbraw/zinc/33/21/60/1058332160.db2.gz CXUKVZPFJVXVIL-TWGQIWQCSA-N 1 2 326.783 4.283 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000742382028 1058584194 /nfs/dbraw/zinc/58/41/94/1058584194.db2.gz YCVWMFIGBTWJKW-UHFFFAOYSA-N 1 2 326.343 4.036 20 30 EIEDLO N#CC1(c2cc[nH+]c(N[C@@H](CCO)c3cccc4ccccc43)c2)CC1 ZINC001169422247 1060811538 /nfs/dbraw/zinc/81/15/38/1060811538.db2.gz IWQSQIKKJVSTOE-FQEVSTJZSA-N 1 2 343.430 4.326 20 30 EIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000532961048 1032420962 /nfs/dbraw/zinc/42/09/62/1032420962.db2.gz ZJUXGOWTHRREPU-GOSISDBHSA-N 1 2 334.463 4.256 20 30 EIEDLO C=CC(C)(C)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455275599 1032804232 /nfs/dbraw/zinc/80/42/32/1032804232.db2.gz BALZURNDNZIRRB-UHFFFAOYSA-N 1 2 338.455 4.220 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329603 1021665081 /nfs/dbraw/zinc/66/50/81/1021665081.db2.gz ABLQIZRDNAULPQ-FCHUYYIVSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329603 1021665091 /nfs/dbraw/zinc/66/50/91/1021665091.db2.gz ABLQIZRDNAULPQ-FCHUYYIVSA-N 1 2 342.446 4.144 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Cl)c1 ZINC000341071045 1022019187 /nfs/dbraw/zinc/01/91/87/1022019187.db2.gz JLQVBJYPYBVLTJ-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Br)s1 ZINC000180307721 1022511328 /nfs/dbraw/zinc/51/13/28/1022511328.db2.gz FYXHZRWEEQRABU-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)o1 ZINC000549426329 1022780825 /nfs/dbraw/zinc/78/08/25/1022780825.db2.gz ZZOGBWPMDVAVHD-MRXNPFEDSA-N 1 2 338.304 4.241 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)o1 ZINC000549426329 1022780859 /nfs/dbraw/zinc/78/08/59/1022780859.db2.gz ZZOGBWPMDVAVHD-MRXNPFEDSA-N 1 2 338.304 4.241 20 30 EIEDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330213817 1022893382 /nfs/dbraw/zinc/89/33/82/1022893382.db2.gz FRKFFKNAZGGQJH-ZDUSSCGKSA-N 1 2 348.859 4.073 20 30 EIEDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330213817 1022893383 /nfs/dbraw/zinc/89/33/83/1022893383.db2.gz FRKFFKNAZGGQJH-ZDUSSCGKSA-N 1 2 348.859 4.073 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(F)c(F)c1 ZINC000187782178 1022938947 /nfs/dbraw/zinc/93/89/47/1022938947.db2.gz ZZWHMOZLHIDLFS-LJQANCHMSA-N 1 2 327.378 4.328 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000157345879 1023482951 /nfs/dbraw/zinc/48/29/51/1023482951.db2.gz ORSOHROVQZIJBD-ZDUSSCGKSA-N 1 2 337.448 4.370 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000157345879 1023482960 /nfs/dbraw/zinc/48/29/60/1023482960.db2.gz ORSOHROVQZIJBD-ZDUSSCGKSA-N 1 2 337.448 4.370 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)n2)cc1 ZINC000276733797 1023920379 /nfs/dbraw/zinc/92/03/79/1023920379.db2.gz HSUWQOOCNRGUNZ-GFCCVEGCSA-N 1 2 338.436 4.083 20 30 EIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000617042719 1023947436 /nfs/dbraw/zinc/94/74/36/1023947436.db2.gz VGOKKRZNEUGHFF-CEXWTWQISA-N 1 2 337.467 4.183 20 30 EIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000661421339 1024107684 /nfs/dbraw/zinc/10/76/84/1024107684.db2.gz ULFSAKXVVHEPDL-QZTJIDSGSA-N 1 2 346.519 4.002 20 30 EIEDLO CCCCCCCCOCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000278854501 1024820562 /nfs/dbraw/zinc/82/05/62/1024820562.db2.gz VWFADKQRRAJEPR-LJQANCHMSA-N 1 2 344.503 4.251 20 30 EIEDLO N#Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)ccn1 ZINC000610992268 1025227631 /nfs/dbraw/zinc/22/76/31/1025227631.db2.gz PVLNKNOHEYJCHW-UHFFFAOYSA-N 1 2 331.394 4.295 20 30 EIEDLO N#Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2F)ccn1 ZINC000610992268 1025227646 /nfs/dbraw/zinc/22/76/46/1025227646.db2.gz PVLNKNOHEYJCHW-UHFFFAOYSA-N 1 2 331.394 4.295 20 30 EIEDLO COc1ccc(CSCc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC000538524933 1025451150 /nfs/dbraw/zinc/45/11/50/1025451150.db2.gz IDPYXGLWCBNBJR-UHFFFAOYSA-N 1 2 328.437 4.021 20 30 EIEDLO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625998 1026014335 /nfs/dbraw/zinc/01/43/35/1026014335.db2.gz PYJLOSOXKMYUGW-DJJJIMSYSA-N 1 2 345.849 4.304 20 30 EIEDLO Cc1ccc(-c2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)co2)cc1 ZINC000551226176 1026093853 /nfs/dbraw/zinc/09/38/53/1026093853.db2.gz HPISWDAAVXYLES-UHFFFAOYSA-N 1 2 329.403 4.301 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccc(F)c(F)c1 ZINC000893668516 1026309265 /nfs/dbraw/zinc/30/92/65/1026309265.db2.gz LVZOXQTWHLWOLC-MRXNPFEDSA-N 1 2 325.790 4.067 20 30 EIEDLO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 ZINC000582324387 1026447350 /nfs/dbraw/zinc/44/73/50/1026447350.db2.gz QRVFOKDJRWEVDH-QGZVFWFLSA-N 1 2 335.234 4.342 20 30 EIEDLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000375724276 1026888530 /nfs/dbraw/zinc/88/85/30/1026888530.db2.gz KJRPVWOFUHKWDN-UXHICEINSA-N 1 2 348.425 4.261 20 30 EIEDLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000375724280 1026889206 /nfs/dbraw/zinc/88/92/06/1026889206.db2.gz KJRPVWOFUHKWDN-WOJBJXKFSA-N 1 2 348.425 4.261 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ncc(C)c(OC)c1C)c1ccc(F)c(F)c1 ZINC000187765929 1027058227 /nfs/dbraw/zinc/05/82/27/1027058227.db2.gz ZNKNRQQXSOVMHN-SFHVURJKSA-N 1 2 332.394 4.392 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000255536196 1027108957 /nfs/dbraw/zinc/10/89/57/1027108957.db2.gz IJQXKQMDUIUVJU-QXMHVHEDSA-N 1 2 342.402 4.033 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccccc1 ZINC000441270581 1027400885 /nfs/dbraw/zinc/40/08/85/1027400885.db2.gz VMOUWYCGRNGGED-UHFFFAOYSA-N 1 2 328.481 4.300 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccccc1 ZINC000441270581 1027400891 /nfs/dbraw/zinc/40/08/91/1027400891.db2.gz VMOUWYCGRNGGED-UHFFFAOYSA-N 1 2 328.481 4.300 20 30 EIEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894964857 1027613888 /nfs/dbraw/zinc/61/38/88/1027613888.db2.gz ZSCJSABULMLAPZ-CQSZACIVSA-N 1 2 337.370 4.201 20 30 EIEDLO C=C(C)C[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004048 1027875272 /nfs/dbraw/zinc/87/52/72/1027875272.db2.gz PAMJCVRBVYDGNW-RYRKJORJSA-N 1 2 341.455 4.101 20 30 EIEDLO C=C(C)C[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004048 1027875281 /nfs/dbraw/zinc/87/52/81/1027875281.db2.gz PAMJCVRBVYDGNW-RYRKJORJSA-N 1 2 341.455 4.101 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330802195 1027888222 /nfs/dbraw/zinc/88/82/22/1027888222.db2.gz AROUWMUTMLFUNY-QAPCUYQASA-N 1 2 327.472 4.154 20 30 EIEDLO O=C(NC1CCC2(CCCCC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329831324 1028133602 /nfs/dbraw/zinc/13/36/02/1028133602.db2.gz FOJKWSQOGPGQLA-UHFFFAOYSA-N 1 2 344.503 4.396 20 30 EIEDLO O=C(NC1CCC2(CCCCC2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329831324 1028133619 /nfs/dbraw/zinc/13/36/19/1028133619.db2.gz FOJKWSQOGPGQLA-UHFFFAOYSA-N 1 2 344.503 4.396 20 30 EIEDLO CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237834 1028233074 /nfs/dbraw/zinc/23/30/74/1028233074.db2.gz HSWXGZFTBYBCQO-STQMWFEESA-N 1 2 331.485 4.349 20 30 EIEDLO CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237834 1028233087 /nfs/dbraw/zinc/23/30/87/1028233087.db2.gz HSWXGZFTBYBCQO-STQMWFEESA-N 1 2 331.485 4.349 20 30 EIEDLO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000583506116 1028822432 /nfs/dbraw/zinc/82/24/32/1028822432.db2.gz LYKGVHKXPCEMGB-SFHVURJKSA-N 1 2 337.423 4.227 20 30 EIEDLO N#CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000182444624 1029940710 /nfs/dbraw/zinc/94/07/10/1029940710.db2.gz DDYNXRMVKKYPJO-KRWDZBQOSA-N 1 2 329.787 4.383 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000525948755 1030117635 /nfs/dbraw/zinc/11/76/35/1030117635.db2.gz MTIRVDRAZMQSFD-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000451466040 1030516545 /nfs/dbraw/zinc/51/65/45/1030516545.db2.gz HQXOKNOBRPWUKJ-KRWDZBQOSA-N 1 2 341.499 4.062 20 30 EIEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000191097349 1030603119 /nfs/dbraw/zinc/60/31/19/1030603119.db2.gz VSWZPGIQAYAISA-UHFFFAOYSA-N 1 2 332.488 4.006 20 30 EIEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000191097349 1030603149 /nfs/dbraw/zinc/60/31/49/1030603149.db2.gz VSWZPGIQAYAISA-UHFFFAOYSA-N 1 2 332.488 4.006 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448273268 1030689188 /nfs/dbraw/zinc/68/91/88/1030689188.db2.gz XWPKQPQPNXKXMT-GIVPXCGWSA-N 1 2 326.484 4.183 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448273268 1030689197 /nfs/dbraw/zinc/68/91/97/1030689197.db2.gz XWPKQPQPNXKXMT-GIVPXCGWSA-N 1 2 326.484 4.183 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cnc(-c2ccco2)s1 ZINC000192757266 1030717514 /nfs/dbraw/zinc/71/75/14/1030717514.db2.gz VZVACTYTPAVHKD-UHFFFAOYSA-N 1 2 340.408 4.093 20 30 EIEDLO CC[N@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000127662570 1030885319 /nfs/dbraw/zinc/88/53/19/1030885319.db2.gz ANPLKTCIARTVTN-UHFFFAOYSA-N 1 2 341.842 4.328 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000127662570 1030885320 /nfs/dbraw/zinc/88/53/20/1030885320.db2.gz ANPLKTCIARTVTN-UHFFFAOYSA-N 1 2 341.842 4.328 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000612407130 1031492242 /nfs/dbraw/zinc/49/22/42/1031492242.db2.gz ZGKDRHDTWYPUHQ-JOCHJYFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000612407130 1031492255 /nfs/dbraw/zinc/49/22/55/1031492255.db2.gz ZGKDRHDTWYPUHQ-JOCHJYFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824183 1031542051 /nfs/dbraw/zinc/54/20/51/1031542051.db2.gz BIOKVQJSMQUNOD-HNNXBMFYSA-N 1 2 336.464 4.192 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824183 1031542060 /nfs/dbraw/zinc/54/20/60/1031542060.db2.gz BIOKVQJSMQUNOD-HNNXBMFYSA-N 1 2 336.464 4.192 20 30 EIEDLO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512610799 1033492511 /nfs/dbraw/zinc/49/25/11/1033492511.db2.gz FBHRKMQAFCZLDG-KGLIPLIRSA-N 1 2 336.414 4.479 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000614167317 1033555188 /nfs/dbraw/zinc/55/51/88/1033555188.db2.gz NZJWHRVHCZGHHB-UHFFFAOYSA-N 1 2 344.462 4.413 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000614167317 1033555195 /nfs/dbraw/zinc/55/51/95/1033555195.db2.gz NZJWHRVHCZGHHB-UHFFFAOYSA-N 1 2 344.462 4.413 20 30 EIEDLO CC(C)CCc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433016475 1033660887 /nfs/dbraw/zinc/66/08/87/1033660887.db2.gz RAERJRYUSYLQRF-QGZVFWFLSA-N 1 2 326.444 4.183 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000501241451 1035402787 /nfs/dbraw/zinc/40/27/87/1035402787.db2.gz DJAWPZYQIASZSO-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000501241451 1035402793 /nfs/dbraw/zinc/40/27/93/1035402793.db2.gz DJAWPZYQIASZSO-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO N#CCCC[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000595502366 1035689317 /nfs/dbraw/zinc/68/93/17/1035689317.db2.gz LLAMZOQLYYSQIH-LBPRGKRZSA-N 1 2 340.374 4.082 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001168382737 1036360592 /nfs/dbraw/zinc/36/05/92/1036360592.db2.gz PKYWJOBICGCBJF-NRFANRHFSA-N 1 2 336.435 4.483 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001168382737 1036360612 /nfs/dbraw/zinc/36/06/12/1036360612.db2.gz PKYWJOBICGCBJF-NRFANRHFSA-N 1 2 336.435 4.483 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438579 1036448632 /nfs/dbraw/zinc/44/86/32/1036448632.db2.gz FTYPSTOOXVDFOL-LJQANCHMSA-N 1 2 337.471 4.208 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438579 1036448642 /nfs/dbraw/zinc/44/86/42/1036448642.db2.gz FTYPSTOOXVDFOL-LJQANCHMSA-N 1 2 337.471 4.208 20 30 EIEDLO C=C1CCC(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000907808869 1036743242 /nfs/dbraw/zinc/74/32/42/1036743242.db2.gz HKRZDCBMCCSICM-QGZVFWFLSA-N 1 2 341.499 4.177 20 30 EIEDLO C=C1CCC(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC000907808869 1036743261 /nfs/dbraw/zinc/74/32/61/1036743261.db2.gz HKRZDCBMCCSICM-QGZVFWFLSA-N 1 2 341.499 4.177 20 30 EIEDLO CC[N@H+](Cc1ccncc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000599270419 1036937449 /nfs/dbraw/zinc/93/74/49/1036937449.db2.gz JFKDOZQYPFVKAS-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1ccncc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000599270419 1036937470 /nfs/dbraw/zinc/93/74/70/1036937470.db2.gz JFKDOZQYPFVKAS-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272636180 1037250283 /nfs/dbraw/zinc/25/02/83/1037250283.db2.gz WWNBDZYUUTXQLY-UHFFFAOYSA-N 1 2 342.874 4.019 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000489452900 1038047951 /nfs/dbraw/zinc/04/79/51/1038047951.db2.gz XUOJSXRAHUEMDA-INIZCTEOSA-N 1 2 344.480 4.271 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000489452900 1038047968 /nfs/dbraw/zinc/04/79/68/1038047968.db2.gz XUOJSXRAHUEMDA-INIZCTEOSA-N 1 2 344.480 4.271 20 30 EIEDLO CCOc1ccccc1C1=CC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000489544410 1038101272 /nfs/dbraw/zinc/10/12/72/1038101272.db2.gz CERKXZXFKYOPKL-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO CCOc1ccccc1C1=CC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000489544410 1038101287 /nfs/dbraw/zinc/10/12/87/1038101287.db2.gz CERKXZXFKYOPKL-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1cccs1 ZINC000029067223 1038165761 /nfs/dbraw/zinc/16/57/61/1038165761.db2.gz PCXCMVDGBYJLDX-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1cccs1 ZINC000029067223 1038165776 /nfs/dbraw/zinc/16/57/76/1038165776.db2.gz PCXCMVDGBYJLDX-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cn1 ZINC000594015007 1038207424 /nfs/dbraw/zinc/20/74/24/1038207424.db2.gz RVYXJXVKPYGDPS-KRWDZBQOSA-N 1 2 341.842 4.125 20 30 EIEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000594015007 1038207448 /nfs/dbraw/zinc/20/74/48/1038207448.db2.gz RVYXJXVKPYGDPS-KRWDZBQOSA-N 1 2 341.842 4.125 20 30 EIEDLO C=CCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000606754256 1038239795 /nfs/dbraw/zinc/23/97/95/1038239795.db2.gz COKDQMBMMHFREU-INIZCTEOSA-N 1 2 342.512 4.482 20 30 EIEDLO Fc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000117354446 1038810506 /nfs/dbraw/zinc/81/05/06/1038810506.db2.gz LJGKLNYSQUCZPE-UHFFFAOYSA-N 1 2 333.222 4.282 20 30 EIEDLO Fc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000117354446 1038810510 /nfs/dbraw/zinc/81/05/10/1038810510.db2.gz LJGKLNYSQUCZPE-UHFFFAOYSA-N 1 2 333.222 4.282 20 30 EIEDLO C=CCCc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000505023828 1038891967 /nfs/dbraw/zinc/89/19/67/1038891967.db2.gz OYMLVTKYAKBFFL-UHFFFAOYSA-N 1 2 346.434 4.313 20 30 EIEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907224 1039021095 /nfs/dbraw/zinc/02/10/95/1039021095.db2.gz RNXIHBZOJOENTJ-MRXNPFEDSA-N 1 2 349.434 4.041 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000156911330 1039081463 /nfs/dbraw/zinc/08/14/63/1039081463.db2.gz OXDSNUQGSKLRGN-LBPRGKRZSA-N 1 2 344.871 4.450 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000156911330 1039081481 /nfs/dbraw/zinc/08/14/81/1039081481.db2.gz OXDSNUQGSKLRGN-LBPRGKRZSA-N 1 2 344.871 4.450 20 30 EIEDLO N#CCCCOc1cccc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000120514608 1039146605 /nfs/dbraw/zinc/14/66/05/1039146605.db2.gz QBDCYWANPBCJOP-UHFFFAOYSA-N 1 2 332.407 4.167 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000552389796 1039442821 /nfs/dbraw/zinc/44/28/21/1039442821.db2.gz VTVQXMLHHNKGPR-AWEZNQCLSA-N 1 2 340.920 4.181 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000552389796 1039442844 /nfs/dbraw/zinc/44/28/44/1039442844.db2.gz VTVQXMLHHNKGPR-AWEZNQCLSA-N 1 2 340.920 4.181 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(OC(F)F)c1 ZINC000481728968 1039791996 /nfs/dbraw/zinc/79/19/96/1039791996.db2.gz LWOBNJZDAJASRN-UHFFFAOYSA-N 1 2 340.373 4.207 20 30 EIEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c(OC(F)F)c1 ZINC000481728968 1039792013 /nfs/dbraw/zinc/79/20/13/1039792013.db2.gz LWOBNJZDAJASRN-UHFFFAOYSA-N 1 2 340.373 4.207 20 30 EIEDLO C=CCCCCCN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425224008 1039891468 /nfs/dbraw/zinc/89/14/68/1039891468.db2.gz BTAUYFDTCICLRB-GOSISDBHSA-N 1 2 325.456 4.137 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000535078677 1039947355 /nfs/dbraw/zinc/94/73/55/1039947355.db2.gz CPMRMNYZEIOPCV-GOSISDBHSA-N 1 2 336.464 4.234 20 30 EIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000535078677 1039947379 /nfs/dbraw/zinc/94/73/79/1039947379.db2.gz CPMRMNYZEIOPCV-GOSISDBHSA-N 1 2 336.464 4.234 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551441957 1040297904 /nfs/dbraw/zinc/29/79/04/1040297904.db2.gz LWHVOICKOYNVCJ-JOCHJYFZSA-N 1 2 348.446 4.037 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551441957 1040297913 /nfs/dbraw/zinc/29/79/13/1040297913.db2.gz LWHVOICKOYNVCJ-JOCHJYFZSA-N 1 2 348.446 4.037 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000514895639 1040321088 /nfs/dbraw/zinc/32/10/88/1040321088.db2.gz BJXOAJNJBWEUAL-UHFFFAOYSA-N 1 2 326.271 4.185 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(C)(C)CC ZINC000553892294 1040606837 /nfs/dbraw/zinc/60/68/37/1040606837.db2.gz MEMGECBXHVNBTQ-GFCCVEGCSA-N 1 2 328.909 4.083 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(C)(C)CC ZINC000553892294 1040606845 /nfs/dbraw/zinc/60/68/45/1040606845.db2.gz MEMGECBXHVNBTQ-GFCCVEGCSA-N 1 2 328.909 4.083 20 30 EIEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(O[C@@H](C)CC(C)C)c1 ZINC000515479637 1040800470 /nfs/dbraw/zinc/80/04/70/1040800470.db2.gz YYJHUAVVQKNBPB-HNNXBMFYSA-N 1 2 343.496 4.426 20 30 EIEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)[C@@H](c1ccccc1)C2 ZINC000539822452 1040816322 /nfs/dbraw/zinc/81/63/22/1040816322.db2.gz CUPLVKDGPDBVHC-JOCHJYFZSA-N 1 2 344.414 4.459 20 30 EIEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)[C@@H](c1ccccc1)C2 ZINC000539822452 1040816324 /nfs/dbraw/zinc/81/63/24/1040816324.db2.gz CUPLVKDGPDBVHC-JOCHJYFZSA-N 1 2 344.414 4.459 20 30 EIEDLO Cc1cc(C)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000904112710 1041330105 /nfs/dbraw/zinc/33/01/05/1041330105.db2.gz DPWRSHPHDZQIBG-OAHLLOKOSA-N 1 2 347.340 4.020 20 30 EIEDLO CSc1cc(Br)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000538762150 1041535549 /nfs/dbraw/zinc/53/55/49/1041535549.db2.gz AJZRTEUESFKPCL-LLVKDONJSA-N 1 2 339.302 4.295 20 30 EIEDLO CSc1cc(Br)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000538762150 1041535552 /nfs/dbraw/zinc/53/55/52/1041535552.db2.gz AJZRTEUESFKPCL-LLVKDONJSA-N 1 2 339.302 4.295 20 30 EIEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC ZINC000517037687 1041844695 /nfs/dbraw/zinc/84/46/95/1041844695.db2.gz HWMXXKPDURXUSE-GOSISDBHSA-N 1 2 341.455 4.100 20 30 EIEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1OC ZINC000517037687 1041844699 /nfs/dbraw/zinc/84/46/99/1041844699.db2.gz HWMXXKPDURXUSE-GOSISDBHSA-N 1 2 341.455 4.100 20 30 EIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc2ccccc21 ZINC000491344153 1042427038 /nfs/dbraw/zinc/42/70/38/1042427038.db2.gz WYVXEPLWKBODTF-UHFFFAOYSA-N 1 2 334.419 4.102 20 30 EIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc2ccccc21 ZINC000491344153 1042427043 /nfs/dbraw/zinc/42/70/43/1042427043.db2.gz WYVXEPLWKBODTF-UHFFFAOYSA-N 1 2 334.419 4.102 20 30 EIEDLO CCCCCOc1cc(C)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000518262605 1042448839 /nfs/dbraw/zinc/44/88/39/1042448839.db2.gz QJGLXSQHJAFLKM-UHFFFAOYSA-N 1 2 329.469 4.182 20 30 EIEDLO CCOc1ccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)cc1 ZINC000030537056 1042555514 /nfs/dbraw/zinc/55/55/14/1042555514.db2.gz WMMSLILVMGYNJB-UTKZUKDTSA-N 1 2 333.435 4.208 20 30 EIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439441491 1042626409 /nfs/dbraw/zinc/62/64/09/1042626409.db2.gz KDZZSTDRAALWAH-UHFFFAOYSA-N 1 2 326.827 4.385 20 30 EIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439441491 1042626428 /nfs/dbraw/zinc/62/64/28/1042626428.db2.gz KDZZSTDRAALWAH-UHFFFAOYSA-N 1 2 326.827 4.385 20 30 EIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443592 1042628731 /nfs/dbraw/zinc/62/87/31/1042628731.db2.gz WHNWNRRCNJGZNI-JCQPUDPBSA-N 1 2 346.883 4.142 20 30 EIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443592 1042628748 /nfs/dbraw/zinc/62/87/48/1042628748.db2.gz WHNWNRRCNJGZNI-JCQPUDPBSA-N 1 2 346.883 4.142 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000162561730 1043082544 /nfs/dbraw/zinc/08/25/44/1043082544.db2.gz HXBHSADJSBQUCG-MRXNPFEDSA-N 1 2 336.391 4.366 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2ccncc2)cs1 ZINC000347844021 1043187713 /nfs/dbraw/zinc/18/77/13/1043187713.db2.gz WDESUVNCZADTOM-LBPRGKRZSA-N 1 2 338.411 4.067 20 30 EIEDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1ccccc1C#N ZINC000494242314 1043378881 /nfs/dbraw/zinc/37/88/81/1043378881.db2.gz RLICEXIHCHWXJV-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1ccccc1C#N ZINC000494242314 1043378894 /nfs/dbraw/zinc/37/88/94/1043378894.db2.gz RLICEXIHCHWXJV-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CC[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000609193579 1043447819 /nfs/dbraw/zinc/44/78/19/1043447819.db2.gz NUKFDTQORKIOSY-NRFANRHFSA-N 1 2 339.913 4.197 20 30 EIEDLO C=CC[N@H+](CC[S@](=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000609193579 1043447827 /nfs/dbraw/zinc/44/78/27/1043447827.db2.gz NUKFDTQORKIOSY-NRFANRHFSA-N 1 2 339.913 4.197 20 30 EIEDLO Clc1nc2ccccc2cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148296 1043455589 /nfs/dbraw/zinc/45/55/89/1043455589.db2.gz QCKKYSIQXCTSND-UHFFFAOYSA-N 1 2 332.794 4.304 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(Br)c1 ZINC000730147535 1043457365 /nfs/dbraw/zinc/45/73/65/1043457365.db2.gz PZDGNMZPTXCBIB-UHFFFAOYSA-N 1 2 340.224 4.255 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000171379119 1043547500 /nfs/dbraw/zinc/54/75/00/1043547500.db2.gz JKBZWNNXMUGEIW-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO Fc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000674464250 1043694377 /nfs/dbraw/zinc/69/43/77/1043694377.db2.gz YHROPHZUTLJMHI-IUCAKERBSA-N 1 2 333.222 4.137 20 30 EIEDLO N#Cc1sccc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001128841533 1043888066 /nfs/dbraw/zinc/88/80/66/1043888066.db2.gz MLIUPMTYPJWFHT-UHFFFAOYSA-N 1 2 349.415 4.039 20 30 EIEDLO C[N@H+](Cc1csc(Br)c1)Cc1ccc(C#N)cc1F ZINC000042324929 1044313813 /nfs/dbraw/zinc/31/38/13/1044313813.db2.gz WWTDCHXHJIJKSR-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(C#N)cc1F ZINC000042324929 1044313825 /nfs/dbraw/zinc/31/38/25/1044313825.db2.gz WWTDCHXHJIJKSR-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000734159145 1044505708 /nfs/dbraw/zinc/50/57/08/1044505708.db2.gz IESSUIXYIJJQCO-UHFFFAOYSA-N 1 2 340.473 4.173 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766658 1044510494 /nfs/dbraw/zinc/51/04/94/1044510494.db2.gz TYUBVUWQMKSRIQ-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766658 1044510504 /nfs/dbraw/zinc/51/05/04/1044510504.db2.gz TYUBVUWQMKSRIQ-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)c1ccccc1 ZINC001168722548 1044514795 /nfs/dbraw/zinc/51/47/95/1044514795.db2.gz FRRPXIMILOXNGM-OAHLLOKOSA-N 1 2 349.659 4.352 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1-c1ccc(F)cc1 ZINC000474108439 1044545272 /nfs/dbraw/zinc/54/52/72/1044545272.db2.gz WSSNVEDQWSMDSM-UHFFFAOYSA-N 1 2 327.428 4.261 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1-c1ccc(F)cc1 ZINC000474108439 1044545283 /nfs/dbraw/zinc/54/52/83/1044545283.db2.gz WSSNVEDQWSMDSM-UHFFFAOYSA-N 1 2 327.428 4.261 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)o1 ZINC000466469656 1044568003 /nfs/dbraw/zinc/56/80/03/1044568003.db2.gz WLHGFPDOYIOIGN-HNNXBMFYSA-N 1 2 349.459 4.170 20 30 EIEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000428854792 1044730372 /nfs/dbraw/zinc/73/03/72/1044730372.db2.gz BAHJDPVRRWHVOL-UHFFFAOYSA-N 1 2 349.434 4.209 20 30 EIEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000428854792 1044730387 /nfs/dbraw/zinc/73/03/87/1044730387.db2.gz BAHJDPVRRWHVOL-UHFFFAOYSA-N 1 2 349.434 4.209 20 30 EIEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735320989 1044791038 /nfs/dbraw/zinc/79/10/38/1044791038.db2.gz GJPSCNCEKDFXCY-CYBMUJFWSA-N 1 2 349.228 4.013 20 30 EIEDLO CC[N@H+](Cc1ccc(C#N)o1)Cc1cc(Br)ccc1F ZINC000154676050 1044822970 /nfs/dbraw/zinc/82/29/70/1044822970.db2.gz VSAJBQOWMFTUFJ-UHFFFAOYSA-N 1 2 337.192 4.075 20 30 EIEDLO CC[N@@H+](Cc1ccc(C#N)o1)Cc1cc(Br)ccc1F ZINC000154676050 1044822977 /nfs/dbraw/zinc/82/29/77/1044822977.db2.gz VSAJBQOWMFTUFJ-UHFFFAOYSA-N 1 2 337.192 4.075 20 30 EIEDLO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000429259237 1044858689 /nfs/dbraw/zinc/85/86/89/1044858689.db2.gz SRGYICZHQKCBCT-UHFFFAOYSA-N 1 2 329.787 4.145 20 30 EIEDLO C=C(Cl)C[N@@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000762062410 1044886399 /nfs/dbraw/zinc/88/63/99/1044886399.db2.gz XCUGVWAKRXYBOY-UHFFFAOYSA-N 1 2 327.852 4.065 20 30 EIEDLO C=C(Cl)C[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000762062410 1044886404 /nfs/dbraw/zinc/88/64/04/1044886404.db2.gz XCUGVWAKRXYBOY-UHFFFAOYSA-N 1 2 327.852 4.065 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000428989202 1044958981 /nfs/dbraw/zinc/95/89/81/1044958981.db2.gz DECTZJOSHARCIF-KRWDZBQOSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000428989202 1044958993 /nfs/dbraw/zinc/95/89/93/1044958993.db2.gz DECTZJOSHARCIF-KRWDZBQOSA-N 1 2 342.389 4.018 20 30 EIEDLO COc1ccc2cc(C(=O)/C=C\c3c[nH+]c4ccccn34)ccc2c1 ZINC000740666301 1045208222 /nfs/dbraw/zinc/20/82/22/1045208222.db2.gz PSMWSJBYSKSWSH-NTMALXAHSA-N 1 2 328.371 4.392 20 30 EIEDLO COc1ccc2oc(C(=O)/C=C/c3c[nH+]c4ccccn34)c(C)c2c1 ZINC000740765491 1045218617 /nfs/dbraw/zinc/21/86/17/1045218617.db2.gz DBMIXVLLWJCFTH-SOFGYWHQSA-N 1 2 332.359 4.294 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000762447990 1045239843 /nfs/dbraw/zinc/23/98/43/1045239843.db2.gz GQRBLFZYXWTPGB-UHFFFAOYSA-N 1 2 327.161 4.433 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cccc(C#N)c1 ZINC000611132148 1045255486 /nfs/dbraw/zinc/25/54/86/1045255486.db2.gz OLLHJXQIVAFBNP-ZJUUUORDSA-N 1 2 336.258 4.189 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(C#N)c(F)c1 ZINC000611465875 1045312885 /nfs/dbraw/zinc/31/28/85/1045312885.db2.gz AGSTXLOUBJEFGZ-MRVPVSSYSA-N 1 2 326.268 4.105 20 30 EIEDLO COc1ccc([N@H+](CCCC2(C#N)CCOCC2)[C@H](C)C2CC2)cc1 ZINC000282117036 1045635652 /nfs/dbraw/zinc/63/56/52/1045635652.db2.gz XLBSYWNSVDEDNC-QGZVFWFLSA-N 1 2 342.483 4.401 20 30 EIEDLO COc1ccc([N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)C2CC2)cc1 ZINC000282117036 1045635660 /nfs/dbraw/zinc/63/56/60/1045635660.db2.gz XLBSYWNSVDEDNC-QGZVFWFLSA-N 1 2 342.483 4.401 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000455480034 1045691240 /nfs/dbraw/zinc/69/12/40/1045691240.db2.gz GWUVADCSGMZTOH-RBUKOAKNSA-N 1 2 348.450 4.311 20 30 EIEDLO C(=[NH+]Nc1cccc2ccccc21)c1ccc(N2CCOCC2)s1 ZINC000747060092 1045882202 /nfs/dbraw/zinc/88/22/02/1045882202.db2.gz GVGKVHVRXXZTQQ-UHFFFAOYSA-N 1 2 337.448 4.184 20 30 EIEDLO N#CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076942194 1045917715 /nfs/dbraw/zinc/91/77/15/1045917715.db2.gz OAVRPACKGQAAOX-OAHLLOKOSA-N 1 2 340.254 4.090 20 30 EIEDLO N#CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076942194 1045917728 /nfs/dbraw/zinc/91/77/28/1045917728.db2.gz OAVRPACKGQAAOX-OAHLLOKOSA-N 1 2 340.254 4.090 20 30 EIEDLO O=C1c2c(Cl)ccc(Cl)c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000769608410 1046032069 /nfs/dbraw/zinc/03/20/69/1046032069.db2.gz BLQTZXWGHKCQKW-NTMALXAHSA-N 1 2 345.185 4.300 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769609586 1046033316 /nfs/dbraw/zinc/03/33/16/1046033316.db2.gz JTVHOPIIJBTYRQ-NTMALXAHSA-N 1 2 329.186 4.464 20 30 EIEDLO CCOc1ccc(Cl)cc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000769611459 1046033802 /nfs/dbraw/zinc/03/38/02/1046033802.db2.gz ZVVAUJMDUGAPOL-BQYQJAHWSA-N 1 2 326.783 4.283 20 30 EIEDLO COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C/c1cccc2[nH+]ccn21)CC3 ZINC000769614145 1046033928 /nfs/dbraw/zinc/03/39/28/1046033928.db2.gz HYJKIJHHMJGAIS-ACCUITESSA-N 1 2 343.386 4.037 20 30 EIEDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH2+]CCC#N)CC(C)(C)O2 ZINC000496768709 1046063476 /nfs/dbraw/zinc/06/34/76/1046063476.db2.gz STVLOTGUXOTSJZ-OAHLLOKOSA-N 1 2 345.443 4.139 20 30 EIEDLO Clc1cccc(Cl)c1CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000793117779 1046148778 /nfs/dbraw/zinc/14/87/78/1046148778.db2.gz POKXEXYDZMOLIV-UHFFFAOYSA-N 1 2 349.265 4.112 20 30 EIEDLO CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000793152106 1046158980 /nfs/dbraw/zinc/15/89/80/1046158980.db2.gz CWWHLMOEBVOFEB-UHFFFAOYSA-N 1 2 331.872 4.397 20 30 EIEDLO O=C1c2cc(Cl)ccc2SC/C1=C/c1cccc2[nH+]ccn21 ZINC000771287217 1046359151 /nfs/dbraw/zinc/35/91/51/1046359151.db2.gz QYXIDSWJVKKSIA-FLIBITNWSA-N 1 2 326.808 4.360 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(OC(F)F)c3)n2c1 ZINC000771849914 1046513603 /nfs/dbraw/zinc/51/36/03/1046513603.db2.gz ITFCJOJYEARXGN-VOTSOKGWSA-N 1 2 328.318 4.140 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680558 1046669380 /nfs/dbraw/zinc/66/93/80/1046669380.db2.gz UFIUTCDSFBRYNW-IERDGZPVSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680558 1046669388 /nfs/dbraw/zinc/66/93/88/1046669388.db2.gz UFIUTCDSFBRYNW-IERDGZPVSA-N 1 2 338.426 4.276 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000127662068 1046713666 /nfs/dbraw/zinc/71/36/66/1046713666.db2.gz AUUBJXUCZYXRJW-UHFFFAOYSA-N 1 2 342.414 4.149 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000127662068 1046713681 /nfs/dbraw/zinc/71/36/81/1046713681.db2.gz AUUBJXUCZYXRJW-UHFFFAOYSA-N 1 2 342.414 4.149 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1ccn(C(C)C)c1=S ZINC000917484746 1046907655 /nfs/dbraw/zinc/90/76/55/1046907655.db2.gz CMFUXIVDOITZGW-UHFFFAOYSA-N 1 2 331.485 4.254 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1ccn(C(C)C)c1=S ZINC000917484746 1046907674 /nfs/dbraw/zinc/90/76/74/1046907674.db2.gz CMFUXIVDOITZGW-UHFFFAOYSA-N 1 2 331.485 4.254 20 30 EIEDLO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000806147921 1047172652 /nfs/dbraw/zinc/17/26/52/1047172652.db2.gz OPPZNQBVCSDDFA-KRWDZBQOSA-N 1 2 330.815 4.037 20 30 EIEDLO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1O ZINC000806149506 1047175473 /nfs/dbraw/zinc/17/54/73/1047175473.db2.gz UUCXHQDGFZKNMY-INIZCTEOSA-N 1 2 330.815 4.167 20 30 EIEDLO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)cc(F)c1O ZINC000806177462 1047200921 /nfs/dbraw/zinc/20/09/21/1047200921.db2.gz ARAKZMNIJVSXBK-SNVBAGLBSA-N 1 2 343.240 4.274 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2coc(-c3ccccc3)n2)C2CC2)cc1 ZINC000194538888 1047285642 /nfs/dbraw/zinc/28/56/42/1047285642.db2.gz XYZYKFJVYCJFKI-UHFFFAOYSA-N 1 2 329.403 4.378 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2coc(-c3ccccc3)n2)C2CC2)cc1 ZINC000194538888 1047285671 /nfs/dbraw/zinc/28/56/71/1047285671.db2.gz XYZYKFJVYCJFKI-UHFFFAOYSA-N 1 2 329.403 4.378 20 30 EIEDLO Cc1nc2ccc(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595582 1047332769 /nfs/dbraw/zinc/33/27/69/1047332769.db2.gz COFAXXKHKWZFDH-IBGZPJMESA-N 1 2 349.459 4.050 20 30 EIEDLO Cc1nc2ccc(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595582 1047332786 /nfs/dbraw/zinc/33/27/86/1047332786.db2.gz COFAXXKHKWZFDH-IBGZPJMESA-N 1 2 349.459 4.050 20 30 EIEDLO N#Cc1ccc(CNc2cc[nH+]c(OCc3ccccc3)c2)cc1F ZINC001170094106 1047338033 /nfs/dbraw/zinc/33/80/33/1047338033.db2.gz HYZAWEBJJWXVLF-UHFFFAOYSA-N 1 2 333.366 4.283 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](C)Cc2cccc3ccccc32)c1=S ZINC000054545421 1047351993 /nfs/dbraw/zinc/35/19/93/1047351993.db2.gz MUOYEARWIPYFQO-UHFFFAOYSA-N 1 2 338.480 4.151 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](C)Cc2cccc3ccccc32)c1=S ZINC000054545421 1047352008 /nfs/dbraw/zinc/35/20/08/1047352008.db2.gz MUOYEARWIPYFQO-UHFFFAOYSA-N 1 2 338.480 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000194962464 1047890055 /nfs/dbraw/zinc/89/00/55/1047890055.db2.gz UHCRRTQKASXMPO-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000194962464 1047890059 /nfs/dbraw/zinc/89/00/59/1047890059.db2.gz UHCRRTQKASXMPO-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000072590323 1048007797 /nfs/dbraw/zinc/00/77/97/1048007797.db2.gz WRWMDYJFIFGANN-UHFFFAOYSA-N 1 2 333.646 4.259 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052143 1048124575 /nfs/dbraw/zinc/12/45/75/1048124575.db2.gz AFSRRANDABQTSC-CVEARBPZSA-N 1 2 340.492 4.102 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052143 1048124579 /nfs/dbraw/zinc/12/45/79/1048124579.db2.gz AFSRRANDABQTSC-CVEARBPZSA-N 1 2 340.492 4.102 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001143724031 1048175255 /nfs/dbraw/zinc/17/52/55/1048175255.db2.gz UPGOTEMGWHZFPU-KRWDZBQOSA-N 1 2 326.827 4.003 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001143724031 1048175280 /nfs/dbraw/zinc/17/52/80/1048175280.db2.gz UPGOTEMGWHZFPU-KRWDZBQOSA-N 1 2 326.827 4.003 20 30 EIEDLO CCC(=[NH+]Nc1cnnc2ccccc21)c1ccc(Cl)c(N)c1 ZINC000814849492 1048203864 /nfs/dbraw/zinc/20/38/64/1048203864.db2.gz XPOSHEXOOBETPF-UHFFFAOYSA-N 1 2 325.803 4.092 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000844298132 1048282978 /nfs/dbraw/zinc/28/29/78/1048282978.db2.gz XKJUHFUVSXDNIT-KRWDZBQOSA-N 1 2 343.333 4.082 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000844298132 1048282994 /nfs/dbraw/zinc/28/29/94/1048282994.db2.gz XKJUHFUVSXDNIT-KRWDZBQOSA-N 1 2 343.333 4.082 20 30 EIEDLO CCOc1cccc(/C=[NH+]\C[C@H](C)COCc2ccccc2)c1O ZINC000920173715 1048572960 /nfs/dbraw/zinc/57/29/60/1048572960.db2.gz GHLXVJDPRQOUCD-JHDSZEHQSA-N 1 2 327.424 4.063 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N/Cc1ccccc1-n1cc[nH+]c1 ZINC000920177998 1048575334 /nfs/dbraw/zinc/57/53/34/1048575334.db2.gz NGOJDFUTBSGLOV-OEAKJJBVSA-N 1 2 327.387 4.350 20 30 EIEDLO CC(C)CC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171189418 1048686005 /nfs/dbraw/zinc/68/60/05/1048686005.db2.gz FYLWXOFPXGQSFM-LPHOPBHVSA-N 1 2 344.499 4.225 20 30 EIEDLO CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000747641666 1048879597 /nfs/dbraw/zinc/87/95/97/1048879597.db2.gz CMTFSJCTVIMKEU-UHFFFAOYSA-N 1 2 330.313 4.126 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(Cl)cc1 ZINC000811516930 1049102806 /nfs/dbraw/zinc/10/28/06/1049102806.db2.gz YMNKCWUDVDUITJ-UGSOOPFHSA-N 1 2 341.838 4.136 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000811516426 1049130125 /nfs/dbraw/zinc/13/01/25/1049130125.db2.gz NNVWZCMDALCGAJ-HXUWFJFHSA-N 1 2 335.838 4.049 20 30 EIEDLO C=C[C@H]1C[C@@]1(Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(=O)OCC ZINC001170928076 1049327216 /nfs/dbraw/zinc/32/72/16/1049327216.db2.gz OFMQOOCFENZZBH-BTYIYWSLSA-N 1 2 347.418 4.150 20 30 EIEDLO C=CCCCCCCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000812495973 1049496334 /nfs/dbraw/zinc/49/63/34/1049496334.db2.gz ZTYGOKMXEROSLJ-QZTJIDSGSA-N 1 2 332.492 4.002 20 30 EIEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001171371915 1049530773 /nfs/dbraw/zinc/53/07/73/1049530773.db2.gz CDTIQBAWSZQTNB-HNNXBMFYSA-N 1 2 349.438 4.017 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccc(F)cc1 ZINC000812793512 1049588826 /nfs/dbraw/zinc/58/88/26/1049588826.db2.gz XGZDEBHUSBGVPX-MRXNPFEDSA-N 1 2 348.215 4.061 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000812794221 1049592279 /nfs/dbraw/zinc/59/22/79/1049592279.db2.gz VIGROFVNOTZZFX-INIZCTEOSA-N 1 2 336.179 4.191 20 30 EIEDLO C=CCc1cc(C)c[nH+]c1NCc1ccccc1OC1CCOCC1 ZINC001171387448 1049594879 /nfs/dbraw/zinc/59/48/79/1049594879.db2.gz UFUXDVXSIDKIFF-UHFFFAOYSA-N 1 2 338.451 4.288 20 30 EIEDLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)ccc21 ZINC001171641278 1049779089 /nfs/dbraw/zinc/77/90/89/1049779089.db2.gz JDPGSEJSITYHDT-GJZGRUSLSA-N 1 2 348.450 4.033 20 30 EIEDLO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358570 1049895545 /nfs/dbraw/zinc/89/55/45/1049895545.db2.gz QHUOFOAZFZOIPX-ZDUSSCGKSA-N 1 2 332.414 4.252 20 30 EIEDLO CCCCCCC[C@H](CC)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358570 1049895549 /nfs/dbraw/zinc/89/55/49/1049895549.db2.gz QHUOFOAZFZOIPX-ZDUSSCGKSA-N 1 2 332.414 4.252 20 30 EIEDLO C[C@@H](CCCC#N)[NH2+][C@@H](CCc1ccccc1)C(=O)OC(C)(C)C ZINC001172484994 1049911168 /nfs/dbraw/zinc/91/11/68/1049911168.db2.gz JWPUKYKUFZYDDR-WMZOPIPTSA-N 1 2 330.472 4.001 20 30 EIEDLO N#Cc1c2c(sc1Nc1ccc(Cn3cc[nH+]c3)cc1)CCCC2 ZINC001212692277 1050245054 /nfs/dbraw/zinc/24/50/54/1050245054.db2.gz KYIZAUTVKOTSCY-UHFFFAOYSA-N 1 2 334.448 4.487 20 30 EIEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1N1CCCC1 ZINC001212698034 1050264963 /nfs/dbraw/zinc/26/49/63/1050264963.db2.gz IMDSPMWECCPOEO-UHFFFAOYSA-N 1 2 343.434 4.147 20 30 EIEDLO N#Cc1nc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2s1 ZINC001212697802 1050266669 /nfs/dbraw/zinc/26/66/69/1050266669.db2.gz UMSRPWIOALUOAU-UHFFFAOYSA-N 1 2 331.404 4.156 20 30 EIEDLO CC(C)(C#N)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001178094462 1050384196 /nfs/dbraw/zinc/38/41/96/1050384196.db2.gz HWSBXOQCUBFXKN-UHFFFAOYSA-N 1 2 334.398 4.425 20 30 EIEDLO Cc1c[nH+]c(CCNc2ccc(C#N)c(Br)c2F)c(C)c1 ZINC001186864489 1050439907 /nfs/dbraw/zinc/43/99/07/1050439907.db2.gz IKIUPNSLPUNLHI-UHFFFAOYSA-N 1 2 348.219 4.126 20 30 EIEDLO C=CC[N@H+](Cc1cnc(C2CC2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646401 1050452132 /nfs/dbraw/zinc/45/21/32/1050452132.db2.gz NEWCVGGEDAPZQM-UHFFFAOYSA-N 1 2 329.425 4.117 20 30 EIEDLO C=CC[N@@H+](Cc1cnc(C2CC2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646401 1050452144 /nfs/dbraw/zinc/45/21/44/1050452144.db2.gz NEWCVGGEDAPZQM-UHFFFAOYSA-N 1 2 329.425 4.117 20 30 EIEDLO C#Cc1ccc(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC001178758692 1050547070 /nfs/dbraw/zinc/54/70/70/1050547070.db2.gz FCUIJIOAFIDFGQ-UHFFFAOYSA-N 1 2 348.471 4.302 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+][C@H](C#N)CC(C)C)CC2)cc1 ZINC001173785755 1050571365 /nfs/dbraw/zinc/57/13/65/1050571365.db2.gz LGFCNAPTDHTCGR-KVZIAJEVSA-N 1 2 328.456 4.166 20 30 EIEDLO CCCCCCCCCCCCS(=O)(=O)Nc1c(C)[nH+]cn1C ZINC001187723316 1050609903 /nfs/dbraw/zinc/60/99/03/1050609903.db2.gz ZHIRMOQFAISHGO-UHFFFAOYSA-N 1 2 343.537 4.391 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590302 1050762682 /nfs/dbraw/zinc/76/26/82/1050762682.db2.gz WFDZYZHYOVHQBK-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590302 1050762693 /nfs/dbraw/zinc/76/26/93/1050762693.db2.gz WFDZYZHYOVHQBK-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO Cc1ccc(N2CC[N@H+](Cc3cccc(F)c3C#N)[C@@H](C)C2)cc1C ZINC001180165106 1050907630 /nfs/dbraw/zinc/90/76/30/1050907630.db2.gz DLEIOKBHTFHKGB-KRWDZBQOSA-N 1 2 337.442 4.025 20 30 EIEDLO Cc1ccc(N2CC[N@@H+](Cc3cccc(F)c3C#N)[C@@H](C)C2)cc1C ZINC001180165106 1050907634 /nfs/dbraw/zinc/90/76/34/1050907634.db2.gz DLEIOKBHTFHKGB-KRWDZBQOSA-N 1 2 337.442 4.025 20 30 EIEDLO C[C@H]1CCc2nc(C[NH2+][C@H](CCC#N)c3ccccc3)sc2C1 ZINC000153402494 1051034318 /nfs/dbraw/zinc/03/43/18/1051034318.db2.gz NLBPJTKDLPVGPS-GOEBONIOSA-N 1 2 325.481 4.403 20 30 EIEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525208 1051055967 /nfs/dbraw/zinc/05/59/67/1051055967.db2.gz SGDUCWHMVNGADZ-UHFFFAOYSA-N 1 2 330.794 4.480 20 30 EIEDLO CC#CC[NH+]1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001190751754 1051270118 /nfs/dbraw/zinc/27/01/18/1051270118.db2.gz DJNUFXWSCRJPSW-NRFANRHFSA-N 1 2 338.882 4.070 20 30 EIEDLO CC[NH+](CC)[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1Cl ZINC001182221225 1051437219 /nfs/dbraw/zinc/43/72/19/1051437219.db2.gz HIBGMENULVHPRR-MJGOQNOKSA-N 1 2 349.906 4.167 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C(F)(F)F ZINC001175352306 1051543782 /nfs/dbraw/zinc/54/37/82/1051543782.db2.gz NAMGUHIMRIUHSJ-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272316549 1051565879 /nfs/dbraw/zinc/56/58/79/1051565879.db2.gz XUVAFRBAASAQSI-INIZCTEOSA-N 1 2 336.439 4.147 20 30 EIEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184093398 1051818599 /nfs/dbraw/zinc/81/85/99/1051818599.db2.gz LJWHDGBQZVEPFD-LLVKDONJSA-N 1 2 333.775 4.290 20 30 EIEDLO Cc1c[nH+]c(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c(C)c1 ZINC001176263314 1051987605 /nfs/dbraw/zinc/98/76/05/1051987605.db2.gz MSPKTEOKOQPCPK-UHFFFAOYSA-N 1 2 348.468 4.193 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c(OC(F)F)c1 ZINC001193827195 1052006926 /nfs/dbraw/zinc/00/69/26/1052006926.db2.gz LEIYHIJKCNIIHJ-LJQANCHMSA-N 1 2 346.352 4.230 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(OC(F)F)c1 ZINC001193827195 1052006936 /nfs/dbraw/zinc/00/69/36/1052006936.db2.gz LEIYHIJKCNIIHJ-LJQANCHMSA-N 1 2 346.352 4.230 20 30 EIEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1Br ZINC001184969049 1052136024 /nfs/dbraw/zinc/13/60/24/1052136024.db2.gz VSTWXQKYBUHMJI-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1c(F)cccc1F ZINC000774864295 1052234267 /nfs/dbraw/zinc/23/42/67/1052234267.db2.gz CFGPIWAPCPDECW-LLVKDONJSA-N 1 2 336.769 4.371 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000850351392 1053123405 /nfs/dbraw/zinc/12/34/05/1053123405.db2.gz AXLILUAADXBGSL-QFBILLFUSA-N 1 2 342.487 4.423 20 30 EIEDLO C=CC[C@@H](NC(=O)c1cccc(-c2c[nH+]cn2C)c1)c1ccccc1 ZINC001194927642 1053177203 /nfs/dbraw/zinc/17/72/03/1053177203.db2.gz UTRLWFSPTJNNSL-LJQANCHMSA-N 1 2 331.419 4.134 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000794692946 1053318116 /nfs/dbraw/zinc/31/81/16/1053318116.db2.gz ZXDVDIUXDZUBKK-WAYWQWQTSA-N 1 2 341.263 4.408 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367266 1053384387 /nfs/dbraw/zinc/38/43/87/1053384387.db2.gz HAZGDXWZASWCOU-GFCCVEGCSA-N 1 2 329.787 4.313 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367266 1053384399 /nfs/dbraw/zinc/38/43/99/1053384399.db2.gz HAZGDXWZASWCOU-GFCCVEGCSA-N 1 2 329.787 4.313 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000764944632 1053392062 /nfs/dbraw/zinc/39/20/62/1053392062.db2.gz MUQKBRLVQJJWQB-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000764944632 1053392081 /nfs/dbraw/zinc/39/20/81/1053392081.db2.gz MUQKBRLVQJJWQB-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000764987976 1053404272 /nfs/dbraw/zinc/40/42/72/1053404272.db2.gz DJFAPOFTIUBVIN-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000764987976 1053404284 /nfs/dbraw/zinc/40/42/84/1053404284.db2.gz DJFAPOFTIUBVIN-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331028 1053570784 /nfs/dbraw/zinc/57/07/84/1053570784.db2.gz ITEMXUIZOJHJAO-QFIPXVFZSA-N 1 2 349.478 4.271 20 30 EIEDLO COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331028 1053570797 /nfs/dbraw/zinc/57/07/97/1053570797.db2.gz ITEMXUIZOJHJAO-QFIPXVFZSA-N 1 2 349.478 4.271 20 30 EIEDLO Cc1ccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)cc1F ZINC000853439064 1053676500 /nfs/dbraw/zinc/67/65/00/1053676500.db2.gz ZRPGRAQUGMSKFO-UHFFFAOYSA-N 1 2 338.839 4.290 20 30 EIEDLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853526150 1053683012 /nfs/dbraw/zinc/68/30/12/1053683012.db2.gz NFEKBZXOJCZCAW-QGZVFWFLSA-N 1 2 340.496 4.208 20 30 EIEDLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853526150 1053683018 /nfs/dbraw/zinc/68/30/18/1053683018.db2.gz NFEKBZXOJCZCAW-QGZVFWFLSA-N 1 2 340.496 4.208 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1Cl ZINC001196828505 1053769536 /nfs/dbraw/zinc/76/95/36/1053769536.db2.gz FUGMRTNVYVYABM-CXAGYDPISA-N 1 2 344.842 4.133 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1Cl ZINC001196828505 1053769549 /nfs/dbraw/zinc/76/95/49/1053769549.db2.gz FUGMRTNVYVYABM-CXAGYDPISA-N 1 2 344.842 4.133 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1Cl ZINC001196828507 1053769826 /nfs/dbraw/zinc/76/98/26/1053769826.db2.gz FUGMRTNVYVYABM-GUYCJALGSA-N 1 2 344.842 4.133 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1Cl ZINC001196828507 1053769841 /nfs/dbraw/zinc/76/98/41/1053769841.db2.gz FUGMRTNVYVYABM-GUYCJALGSA-N 1 2 344.842 4.133 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccco1 ZINC000102885843 1053899575 /nfs/dbraw/zinc/89/95/75/1053899575.db2.gz CGARPZIQFIQSOJ-OAHLLOKOSA-N 1 2 344.484 4.082 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccco1 ZINC000102885843 1053899585 /nfs/dbraw/zinc/89/95/85/1053899585.db2.gz CGARPZIQFIQSOJ-OAHLLOKOSA-N 1 2 344.484 4.082 20 30 EIEDLO C=CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC001197988290 1054049915 /nfs/dbraw/zinc/04/99/15/1054049915.db2.gz HUVVRKJGMVFMPB-QGZVFWFLSA-N 1 2 346.272 4.086 20 30 EIEDLO C=CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC001197988290 1054049920 /nfs/dbraw/zinc/04/99/20/1054049920.db2.gz HUVVRKJGMVFMPB-QGZVFWFLSA-N 1 2 346.272 4.086 20 30 EIEDLO N#CC1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000775976082 1054414068 /nfs/dbraw/zinc/41/40/68/1054414068.db2.gz CKXCWVCLYBWSNW-KRWDZBQOSA-N 1 2 328.362 4.271 20 30 EIEDLO C=CCOc1ccc(CNc2ccc([NH+](C)C)c(C)c2)cc1OC ZINC001201759959 1054897890 /nfs/dbraw/zinc/89/78/90/1054897890.db2.gz ANSODOKUHWKOIE-UHFFFAOYSA-N 1 2 326.440 4.247 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1Br ZINC000876582502 1054931219 /nfs/dbraw/zinc/93/12/19/1054931219.db2.gz PUCMCLMHKJUSCK-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1Br ZINC000876582502 1054931227 /nfs/dbraw/zinc/93/12/27/1054931227.db2.gz PUCMCLMHKJUSCK-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CCCCCCCCN1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001201840277 1054933323 /nfs/dbraw/zinc/93/33/23/1054933323.db2.gz RUYLCAWQLAFKBO-NRFANRHFSA-N 1 2 332.532 4.352 20 30 EIEDLO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1OC(F)F ZINC000876908053 1054981871 /nfs/dbraw/zinc/98/18/71/1054981871.db2.gz HGNFUZXFTGAWIJ-SNVBAGLBSA-N 1 2 337.757 4.059 20 30 EIEDLO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccccc3Cl)CCC2)c1 ZINC000877610280 1055092309 /nfs/dbraw/zinc/09/23/09/1055092309.db2.gz RYOPHJBDICVVCA-UHFFFAOYSA-N 1 2 332.234 4.429 20 30 EIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC000301162265 1055902318 /nfs/dbraw/zinc/90/23/18/1055902318.db2.gz FUWWIWXORSFSJY-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943731 1056825034 /nfs/dbraw/zinc/82/50/34/1056825034.db2.gz RENZSOWYVSAJNY-AWEZNQCLSA-N 1 2 344.418 4.336 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(OC(F)F)c3)c[nH+]c12 ZINC000741471878 1058225898 /nfs/dbraw/zinc/22/58/98/1058225898.db2.gz QHCPYPOFTXKRKS-BQYQJAHWSA-N 1 2 328.318 4.140 20 30 EIEDLO Cn1cc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c2ccccc21 ZINC000737444072 1058340915 /nfs/dbraw/zinc/34/09/15/1058340915.db2.gz NVFVKOZURLPELK-FPLPWBNLSA-N 1 2 335.794 4.376 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccc(OC(F)F)c1 ZINC000737444936 1058352063 /nfs/dbraw/zinc/35/20/63/1058352063.db2.gz VUJHEBXALSDVHT-AATRIKPKSA-N 1 2 348.736 4.485 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(OC(F)F)cc1 ZINC000737444939 1058352772 /nfs/dbraw/zinc/35/27/72/1058352772.db2.gz VVKWCKFVMHOBEK-DAXSKMNVSA-N 1 2 348.736 4.485 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000742153978 1058534479 /nfs/dbraw/zinc/53/44/79/1058534479.db2.gz BDMRUQYNBXELCO-HUUCEWRRSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000742153978 1058534496 /nfs/dbraw/zinc/53/44/96/1058534496.db2.gz BDMRUQYNBXELCO-HUUCEWRRSA-N 1 2 346.500 4.328 20 30 EIEDLO C[C@H]1CC(=NNc2cc[nH+]c3ccccc23)c2ccsc2S1 ZINC000743439652 1059007656 /nfs/dbraw/zinc/00/76/56/1059007656.db2.gz FTDUZYFLTVJMTR-NSHDSACASA-N 1 2 325.462 4.419 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151527 1059298949 /nfs/dbraw/zinc/29/89/49/1059298949.db2.gz KIUFMKPRVRSLSU-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000744151527 1059298976 /nfs/dbraw/zinc/29/89/76/1059298976.db2.gz KIUFMKPRVRSLSU-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO C=CC[N@H+](Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(C)C ZINC000744389409 1059445929 /nfs/dbraw/zinc/44/59/29/1059445929.db2.gz SJJRLGQDPZUPCA-UHFFFAOYSA-N 1 2 343.496 4.029 20 30 EIEDLO C=CC[N@@H+](Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(C)C ZINC000744389409 1059445943 /nfs/dbraw/zinc/44/59/43/1059445943.db2.gz SJJRLGQDPZUPCA-UHFFFAOYSA-N 1 2 343.496 4.029 20 30 EIEDLO N#CCc1ccc[nH+]c1NCc1ccccc1OCc1ccccc1 ZINC001168941458 1060537455 /nfs/dbraw/zinc/53/74/55/1060537455.db2.gz JEQLDQCLMRKRRY-UHFFFAOYSA-N 1 2 329.403 4.339 20 30 EIEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC001169072911 1060628223 /nfs/dbraw/zinc/62/82/23/1060628223.db2.gz PITHGLRPHDGDOF-CYBMUJFWSA-N 1 2 334.448 4.236 20 30 EIEDLO N#CC12CCC(Nc3cc[nH+]c(OCc4ccccn4)c3)(CC1)CC2 ZINC001169752058 1060932016 /nfs/dbraw/zinc/93/20/16/1060932016.db2.gz MRCLTGQSAGVXIK-UHFFFAOYSA-N 1 2 334.423 4.084 20 30 EIEDLO N#CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCCC1 ZINC000057388626 1032102640 /nfs/dbraw/zinc/10/26/40/1032102640.db2.gz HUYZLWBFUOCBMR-UHFFFAOYSA-N 1 2 348.450 4.299 20 30 EIEDLO Cc1[nH+]cc(CNc2cccc(OCCCC#N)c2)n1-c1ccccc1 ZINC000174288312 1032389159 /nfs/dbraw/zinc/38/91/59/1032389159.db2.gz VXMUDZJYXMBQKI-UHFFFAOYSA-N 1 2 346.434 4.475 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102408648 1032469516 /nfs/dbraw/zinc/46/95/16/1032469516.db2.gz VLSQUNYZIJEQFY-UHFFFAOYSA-N 1 2 330.453 4.018 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102408648 1032469530 /nfs/dbraw/zinc/46/95/30/1032469530.db2.gz VLSQUNYZIJEQFY-UHFFFAOYSA-N 1 2 330.453 4.018 20 30 EIEDLO C=C1CC[NH+](Cc2csc(-c3ccc(OCC)c(OC)c3)n2)CC1 ZINC000533421333 1032737200 /nfs/dbraw/zinc/73/72/00/1032737200.db2.gz WMQFTPJWLISPEZ-UHFFFAOYSA-N 1 2 344.480 4.369 20 30 EIEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000579700645 1018796152 /nfs/dbraw/zinc/79/61/52/1018796152.db2.gz TYMLTURNPQGWGZ-AYOQOUSVSA-N 1 2 344.418 4.108 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430203422 1019269886 /nfs/dbraw/zinc/26/98/86/1019269886.db2.gz IJFOCVQXXWCMMA-GOSISDBHSA-N 1 2 348.349 4.289 20 30 EIEDLO N#Cc1cccc(Cl)c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541191537 1022257372 /nfs/dbraw/zinc/25/73/72/1022257372.db2.gz CLKDDZWMRBKEFT-UHFFFAOYSA-N 1 2 328.847 4.105 20 30 EIEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181171978 1022893890 /nfs/dbraw/zinc/89/38/90/1022893890.db2.gz QSUUFHFCNQOELZ-LBPRGKRZSA-N 1 2 345.240 4.219 20 30 EIEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181171978 1022893891 /nfs/dbraw/zinc/89/38/91/1022893891.db2.gz QSUUFHFCNQOELZ-LBPRGKRZSA-N 1 2 345.240 4.219 20 30 EIEDLO Cc1cc2c(s1)N(c1cc(C#N)c(C)cn1)c1ccccc1NC2=[NH2+] ZINC001167460950 1023197109 /nfs/dbraw/zinc/19/71/09/1023197109.db2.gz WFHZFSXHEKJKNJ-UHFFFAOYSA-N 1 2 345.431 4.452 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC001137565601 1023378502 /nfs/dbraw/zinc/37/85/02/1023378502.db2.gz VWBZWFLJHBEOME-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC001137565601 1023378510 /nfs/dbraw/zinc/37/85/10/1023378510.db2.gz VWBZWFLJHBEOME-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@@H]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328601074 1023601070 /nfs/dbraw/zinc/60/10/70/1023601070.db2.gz DXOXKBWCEMJTFA-GDBMZVCRSA-N 1 2 336.439 4.116 20 30 EIEDLO N#Cc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000178194259 1023825960 /nfs/dbraw/zinc/82/59/60/1023825960.db2.gz RSACTXVICAQLGZ-UHFFFAOYSA-N 1 2 328.419 4.370 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255390411 1023897504 /nfs/dbraw/zinc/89/75/04/1023897504.db2.gz HNHXCCZCBROLLM-QXMHVHEDSA-N 1 2 342.402 4.033 20 30 EIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000617042720 1023946353 /nfs/dbraw/zinc/94/63/53/1023946353.db2.gz VGOKKRZNEUGHFF-GUDVDZBRSA-N 1 2 337.467 4.183 20 30 EIEDLO Oc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F ZINC000891769997 1023964710 /nfs/dbraw/zinc/96/47/10/1023964710.db2.gz DYIKELZHKIKXSU-NXEZZACHSA-N 1 2 345.258 4.094 20 30 EIEDLO C[NH+](C)[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000022729184 1024532498 /nfs/dbraw/zinc/53/24/98/1024532498.db2.gz LKIRVADZPRJHNM-VFJJTOLMSA-N 1 2 343.279 4.482 20 30 EIEDLO CCCCCCCCOCCC[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000278854498 1024818235 /nfs/dbraw/zinc/81/82/35/1024818235.db2.gz VWFADKQRRAJEPR-IBGZPJMESA-N 1 2 344.503 4.251 20 30 EIEDLO N#CC1(F)CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000510934614 1024851020 /nfs/dbraw/zinc/85/10/20/1024851020.db2.gz HCWQKTXLDOFTKW-UHFFFAOYSA-N 1 2 328.362 4.446 20 30 EIEDLO N#CC1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000165214239 1025058534 /nfs/dbraw/zinc/05/85/34/1025058534.db2.gz VMPOSMWSRYUPEW-UHFFFAOYSA-N 1 2 335.329 4.096 20 30 EIEDLO CCC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Br ZINC000610991918 1025225720 /nfs/dbraw/zinc/22/57/20/1025225720.db2.gz WLZDPEBVFPPCRV-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO CCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Br ZINC000610991918 1025225733 /nfs/dbraw/zinc/22/57/33/1025225733.db2.gz WLZDPEBVFPPCRV-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO C=CCN(Cc1ccccc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342342178 1025898697 /nfs/dbraw/zinc/89/86/97/1025898697.db2.gz RESZUQRYIFZZPQ-FQEVSTJZSA-N 1 2 345.446 4.147 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(F)c(F)c1 ZINC000187760992 1026663640 /nfs/dbraw/zinc/66/36/40/1026663640.db2.gz VBEBKVVCYWTDEP-IBGZPJMESA-N 1 2 327.378 4.328 20 30 EIEDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000375724278 1026889010 /nfs/dbraw/zinc/88/90/10/1026889010.db2.gz KJRPVWOFUHKWDN-VQTJNVASSA-N 1 2 348.425 4.261 20 30 EIEDLO C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(C#N)cc1 ZINC000046529284 1027348048 /nfs/dbraw/zinc/34/80/48/1027348048.db2.gz CGKLEJKKSBAULR-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(C#N)cc1 ZINC000046529284 1027348075 /nfs/dbraw/zinc/34/80/75/1027348075.db2.gz CGKLEJKKSBAULR-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000329576731 1027859359 /nfs/dbraw/zinc/85/93/59/1027859359.db2.gz KCECHGZUNFMODU-QAPCUYQASA-N 1 2 339.439 4.432 20 30 EIEDLO CC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000329576733 1027859970 /nfs/dbraw/zinc/85/99/70/1027859970.db2.gz KCECHGZUNFMODU-YJBOKZPZSA-N 1 2 339.439 4.432 20 30 EIEDLO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004047 1027874810 /nfs/dbraw/zinc/87/48/10/1027874810.db2.gz PAMJCVRBVYDGNW-BQFCYCMXSA-N 1 2 341.455 4.101 20 30 EIEDLO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665004047 1027874813 /nfs/dbraw/zinc/87/48/13/1027874813.db2.gz PAMJCVRBVYDGNW-BQFCYCMXSA-N 1 2 341.455 4.101 20 30 EIEDLO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086726 1027901364 /nfs/dbraw/zinc/90/13/64/1027901364.db2.gz WYFYEZFAOQILSG-UHFFFAOYSA-N 1 2 344.353 4.017 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727941284 1027914145 /nfs/dbraw/zinc/91/41/45/1027914145.db2.gz XJKFFUKFUDBNGO-IRXDYDNUSA-N 1 2 334.508 4.295 20 30 EIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C ZINC000329782725 1028119432 /nfs/dbraw/zinc/11/94/32/1028119432.db2.gz UPBKZLKIBUOLPC-GVDBMIGSSA-N 1 2 345.487 4.022 20 30 EIEDLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329835682 1028135624 /nfs/dbraw/zinc/13/56/24/1028135624.db2.gz UXFHZTVQZPPKSG-HUUCEWRRSA-N 1 2 338.455 4.305 20 30 EIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1C=CCCC1 ZINC000330263640 1028242427 /nfs/dbraw/zinc/24/24/27/1028242427.db2.gz WUUDCUJQKLZQFX-MRXNPFEDSA-N 1 2 336.439 4.321 20 30 EIEDLO COc1ccc2[nH+]c(C)cc(OCCCC3(C#N)CCOCC3)c2c1 ZINC000281079581 1028378948 /nfs/dbraw/zinc/37/89/48/1028378948.db2.gz WGVRFBVDHWPJPU-UHFFFAOYSA-N 1 2 340.423 4.031 20 30 EIEDLO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(Cl)cc2c1OCC2 ZINC000897338281 1028471803 /nfs/dbraw/zinc/47/18/03/1028471803.db2.gz NCAMWEABGSEMGS-SNVBAGLBSA-N 1 2 348.233 4.046 20 30 EIEDLO Cc1cccc(CCCNc2ccc(C#N)cc2Br)[nH+]1 ZINC000343230559 1028739118 /nfs/dbraw/zinc/73/91/18/1028739118.db2.gz VQAXTNRMCJCYSN-UHFFFAOYSA-N 1 2 330.229 4.069 20 30 EIEDLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329791892 1029821284 /nfs/dbraw/zinc/82/12/84/1029821284.db2.gz FBRAIPAIJLXFSJ-KRWDZBQOSA-N 1 2 330.476 4.006 20 30 EIEDLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329791892 1029821287 /nfs/dbraw/zinc/82/12/87/1029821287.db2.gz FBRAIPAIJLXFSJ-KRWDZBQOSA-N 1 2 330.476 4.006 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000525948756 1030116914 /nfs/dbraw/zinc/11/69/14/1030116914.db2.gz MTIRVDRAZMQSFD-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CCC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000448679748 1030919694 /nfs/dbraw/zinc/91/96/94/1030919694.db2.gz FZXSLLVSYWCFMS-UHFFFAOYSA-N 1 2 337.467 4.074 20 30 EIEDLO N#Cc1ccccc1CSCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000531172778 1030941456 /nfs/dbraw/zinc/94/14/56/1030941456.db2.gz NJFCNBYFPDRPPI-UHFFFAOYSA-N 1 2 337.370 4.317 20 30 EIEDLO C=CCC1(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCCCC1 ZINC000448826151 1031127972 /nfs/dbraw/zinc/12/79/72/1031127972.db2.gz XFIPNZTXUZLRGE-UHFFFAOYSA-N 1 2 330.472 4.192 20 30 EIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129845167 1031360137 /nfs/dbraw/zinc/36/01/37/1031360137.db2.gz SZYLXIRNLJYNPG-AUUYWEPGSA-N 1 2 346.434 4.087 20 30 EIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129845167 1031360147 /nfs/dbraw/zinc/36/01/47/1031360147.db2.gz SZYLXIRNLJYNPG-AUUYWEPGSA-N 1 2 346.434 4.087 20 30 EIEDLO Cc1ccc(C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C(C)C)s1 ZINC000459306859 1031765053 /nfs/dbraw/zinc/76/50/53/1031765053.db2.gz QBWJBPWUTYIJBA-UHFFFAOYSA-N 1 2 329.425 4.247 20 30 EIEDLO Cc1ccc(C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C(C)C)s1 ZINC000459306859 1031765068 /nfs/dbraw/zinc/76/50/68/1031765068.db2.gz QBWJBPWUTYIJBA-UHFFFAOYSA-N 1 2 329.425 4.247 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513382417 1034911175 /nfs/dbraw/zinc/91/11/75/1034911175.db2.gz XLBKDYDBKKOVGP-UHFFFAOYSA-N 1 2 343.833 4.063 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513382417 1034911182 /nfs/dbraw/zinc/91/11/82/1034911182.db2.gz XLBKDYDBKKOVGP-UHFFFAOYSA-N 1 2 343.833 4.063 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000513723886 1035723109 /nfs/dbraw/zinc/72/31/09/1035723109.db2.gz BPGDASISEYADHX-UHFFFAOYSA-N 1 2 336.483 4.295 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000513723886 1035723136 /nfs/dbraw/zinc/72/31/36/1035723136.db2.gz BPGDASISEYADHX-UHFFFAOYSA-N 1 2 336.483 4.295 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000029689566 1035735521 /nfs/dbraw/zinc/73/55/21/1035735521.db2.gz JXAZBKGKACJKCR-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000595623599 1035739669 /nfs/dbraw/zinc/73/96/69/1035739669.db2.gz UVLBLHHOLGKPQI-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000595623599 1035739684 /nfs/dbraw/zinc/73/96/84/1035739684.db2.gz UVLBLHHOLGKPQI-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595608985 1035747586 /nfs/dbraw/zinc/74/75/86/1035747586.db2.gz DLFSKJOYEQQXRM-HNNXBMFYSA-N 1 2 341.480 4.334 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595608985 1035747603 /nfs/dbraw/zinc/74/76/03/1035747603.db2.gz DLFSKJOYEQQXRM-HNNXBMFYSA-N 1 2 341.480 4.334 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)cc1F ZINC000595752587 1035786431 /nfs/dbraw/zinc/78/64/31/1035786431.db2.gz NDLDXXYWKHUPDE-QGZVFWFLSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)cc1F ZINC000595752587 1035786452 /nfs/dbraw/zinc/78/64/52/1035786452.db2.gz NDLDXXYWKHUPDE-QGZVFWFLSA-N 1 2 328.362 4.182 20 30 EIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)Cc1ccccc1 ZINC000502329131 1036114241 /nfs/dbraw/zinc/11/42/41/1036114241.db2.gz YRJXIUSBSXRIBV-UHFFFAOYSA-N 1 2 349.434 4.324 20 30 EIEDLO C=CC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)Cc1ccccc1 ZINC000502329131 1036114283 /nfs/dbraw/zinc/11/42/83/1036114283.db2.gz YRJXIUSBSXRIBV-UHFFFAOYSA-N 1 2 349.434 4.324 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000060464610 1036117801 /nfs/dbraw/zinc/11/78/01/1036117801.db2.gz NRBVLXLOAWYHTO-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000597228162 1036162490 /nfs/dbraw/zinc/16/24/90/1036162490.db2.gz AKTYYJCDUJCITF-LJQANCHMSA-N 1 2 342.464 4.071 20 30 EIEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000597228162 1036162503 /nfs/dbraw/zinc/16/25/03/1036162503.db2.gz AKTYYJCDUJCITF-LJQANCHMSA-N 1 2 342.464 4.071 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602495220 1036469491 /nfs/dbraw/zinc/46/94/91/1036469491.db2.gz JRZYSFRHFXUEDS-UHFFFAOYSA-N 1 2 340.496 4.269 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602495220 1036469499 /nfs/dbraw/zinc/46/94/99/1036469499.db2.gz JRZYSFRHFXUEDS-UHFFFAOYSA-N 1 2 340.496 4.269 20 30 EIEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835316 1036636932 /nfs/dbraw/zinc/63/69/32/1036636932.db2.gz ALMQQGVHZDOHBC-CZUORRHYSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835316 1036636937 /nfs/dbraw/zinc/63/69/37/1036636937.db2.gz ALMQQGVHZDOHBC-CZUORRHYSA-N 1 2 338.373 4.161 20 30 EIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000907907769 1036759802 /nfs/dbraw/zinc/75/98/02/1036759802.db2.gz VCERTHDQNCBWHR-QJXPYNDKSA-N 1 2 334.423 4.044 20 30 EIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599262479 1036931265 /nfs/dbraw/zinc/93/12/65/1036931265.db2.gz GHULDBQAWSTWOK-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599262479 1036931284 /nfs/dbraw/zinc/93/12/84/1036931284.db2.gz GHULDBQAWSTWOK-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)n2)cc1 ZINC000599368880 1036979019 /nfs/dbraw/zinc/97/90/19/1036979019.db2.gz BLIGCAQWWOOKMH-HNNXBMFYSA-N 1 2 346.434 4.330 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(F)c1OC(F)F)C2 ZINC000599677637 1037117263 /nfs/dbraw/zinc/11/72/63/1037117263.db2.gz INQDOZFFPOYLNN-UHFFFAOYSA-N 1 2 346.352 4.051 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccc(F)c1OC(F)F)C2 ZINC000599677637 1037117271 /nfs/dbraw/zinc/11/72/71/1037117271.db2.gz INQDOZFFPOYLNN-UHFFFAOYSA-N 1 2 346.352 4.051 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000488421150 1037575095 /nfs/dbraw/zinc/57/50/95/1037575095.db2.gz RSFXHNUIZYOPFB-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000488421150 1037575115 /nfs/dbraw/zinc/57/51/15/1037575115.db2.gz RSFXHNUIZYOPFB-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO Cc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000591853931 1037642519 /nfs/dbraw/zinc/64/25/19/1037642519.db2.gz FEAKGJIDCSQBIE-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000591853931 1037642548 /nfs/dbraw/zinc/64/25/48/1037642548.db2.gz FEAKGJIDCSQBIE-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO CC(C)Oc1ccnc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000593013193 1037891710 /nfs/dbraw/zinc/89/17/10/1037891710.db2.gz IEDBPDFITISYAF-LEWJYISDSA-N 1 2 335.451 4.141 20 30 EIEDLO CC(C)Oc1ccnc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000593013193 1037891711 /nfs/dbraw/zinc/89/17/11/1037891711.db2.gz IEDBPDFITISYAF-LEWJYISDSA-N 1 2 335.451 4.141 20 30 EIEDLO CC(C)Oc1ccnc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000593013195 1037892322 /nfs/dbraw/zinc/89/23/22/1037892322.db2.gz IEDBPDFITISYAF-RTWAWAEBSA-N 1 2 335.451 4.141 20 30 EIEDLO CC(C)Oc1ccnc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000593013195 1037892325 /nfs/dbraw/zinc/89/23/25/1037892325.db2.gz IEDBPDFITISYAF-RTWAWAEBSA-N 1 2 335.451 4.141 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000489425224 1038036641 /nfs/dbraw/zinc/03/66/41/1038036641.db2.gz KBWSYCPTCJCROO-INIZCTEOSA-N 1 2 332.444 4.402 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000489425224 1038036661 /nfs/dbraw/zinc/03/66/61/1038036661.db2.gz KBWSYCPTCJCROO-INIZCTEOSA-N 1 2 332.444 4.402 20 30 EIEDLO CCO[C@@H](C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594031899 1038227738 /nfs/dbraw/zinc/22/77/38/1038227738.db2.gz NQCNDPOLTFAKAF-AWEZNQCLSA-N 1 2 341.480 4.281 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000600121969 1039309260 /nfs/dbraw/zinc/30/92/60/1039309260.db2.gz YYAIDZNBFVUUFR-ZDUSSCGKSA-N 1 2 334.847 4.037 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000600121969 1039309279 /nfs/dbraw/zinc/30/92/79/1039309279.db2.gz YYAIDZNBFVUUFR-ZDUSSCGKSA-N 1 2 334.847 4.037 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000552810023 1039820657 /nfs/dbraw/zinc/82/06/57/1039820657.db2.gz HGKZJJJBILVJJX-OAHLLOKOSA-N 1 2 344.480 4.162 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000552810023 1039820663 /nfs/dbraw/zinc/82/06/63/1039820663.db2.gz HGKZJJJBILVJJX-OAHLLOKOSA-N 1 2 344.480 4.162 20 30 EIEDLO C=CC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000430108313 1039847530 /nfs/dbraw/zinc/84/75/30/1039847530.db2.gz ZTDKGSVSUTVBFZ-UHFFFAOYSA-N 1 2 336.435 4.272 20 30 EIEDLO C=CC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000430108313 1039847537 /nfs/dbraw/zinc/84/75/37/1039847537.db2.gz ZTDKGSVSUTVBFZ-UHFFFAOYSA-N 1 2 336.435 4.272 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405643 1040265418 /nfs/dbraw/zinc/26/54/18/1040265418.db2.gz WWYAVXBIGMNRHJ-LJQANCHMSA-N 1 2 330.353 4.102 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405643 1040265435 /nfs/dbraw/zinc/26/54/35/1040265435.db2.gz WWYAVXBIGMNRHJ-LJQANCHMSA-N 1 2 330.353 4.102 20 30 EIEDLO C=C(C)C[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435337100 1040290894 /nfs/dbraw/zinc/29/08/94/1040290894.db2.gz SFWYVWYWCIDXJZ-MRXNPFEDSA-N 1 2 345.874 4.168 20 30 EIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989627 1040294323 /nfs/dbraw/zinc/29/43/23/1040294323.db2.gz LVSDNIYCBDEBSK-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989627 1040294339 /nfs/dbraw/zinc/29/43/39/1040294339.db2.gz LVSDNIYCBDEBSK-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc(C(F)(F)F)n1 ZINC001204899451 1040549179 /nfs/dbraw/zinc/54/91/79/1040549179.db2.gz QRCWITNWNJMTIJ-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc(C(F)(F)F)n1 ZINC001204899451 1040549198 /nfs/dbraw/zinc/54/91/98/1040549198.db2.gz QRCWITNWNJMTIJ-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)o2)cc1C ZINC000160786475 1040746137 /nfs/dbraw/zinc/74/61/37/1040746137.db2.gz WWWIRRJFBFRWNE-INIZCTEOSA-N 1 2 346.434 4.418 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1C ZINC000160786475 1040746156 /nfs/dbraw/zinc/74/61/56/1040746156.db2.gz WWWIRRJFBFRWNE-INIZCTEOSA-N 1 2 346.434 4.418 20 30 EIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000554265098 1040925620 /nfs/dbraw/zinc/92/56/20/1040925620.db2.gz OSPPCSMKBFGEOE-JTQLQIEISA-N 1 2 347.178 4.095 20 30 EIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000554265098 1040925640 /nfs/dbraw/zinc/92/56/40/1040925640.db2.gz OSPPCSMKBFGEOE-JTQLQIEISA-N 1 2 347.178 4.095 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000516087025 1041386568 /nfs/dbraw/zinc/38/65/68/1041386568.db2.gz ZEFCBMLZASFODH-INIZCTEOSA-N 1 2 337.423 4.008 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1Br ZINC000480704556 1041482130 /nfs/dbraw/zinc/48/21/30/1041482130.db2.gz QMBJTWDEVGQSKK-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1Br ZINC000480704556 1041482133 /nfs/dbraw/zinc/48/21/33/1041482133.db2.gz QMBJTWDEVGQSKK-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO CN(C)c1ccc(C=[NH+]NCc2ccc(C(F)(F)F)cc2)cc1F ZINC000727651122 1043257874 /nfs/dbraw/zinc/25/78/74/1043257874.db2.gz JAONQTMHBBJQNU-UHFFFAOYSA-N 1 2 339.336 4.034 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000731894188 1043842667 /nfs/dbraw/zinc/84/26/67/1043842667.db2.gz XNOUFZPQFHCPPD-JLHGSKIFSA-N 1 2 345.446 4.161 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000731894188 1043842675 /nfs/dbraw/zinc/84/26/75/1043842675.db2.gz XNOUFZPQFHCPPD-JLHGSKIFSA-N 1 2 345.446 4.161 20 30 EIEDLO CC(C)c1ccc(OC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000522138001 1044271030 /nfs/dbraw/zinc/27/10/30/1044271030.db2.gz ZDWJNYREAYBTJS-QGZVFWFLSA-N 1 2 325.456 4.097 20 30 EIEDLO CCCCCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000734144672 1044503297 /nfs/dbraw/zinc/50/32/97/1044503297.db2.gz VQUNUJNGLDGGCS-SFHVURJKSA-N 1 2 331.504 4.037 20 30 EIEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000734159691 1044505017 /nfs/dbraw/zinc/50/50/17/1044505017.db2.gz WBPPJSQXKAZFRE-UHFFFAOYSA-N 1 2 340.473 4.173 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766651 1044509404 /nfs/dbraw/zinc/50/94/04/1044509404.db2.gz TYUBVUWQMKSRIQ-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766651 1044509425 /nfs/dbraw/zinc/50/94/25/1044509425.db2.gz TYUBVUWQMKSRIQ-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccc(F)c1 ZINC000051378492 1044570333 /nfs/dbraw/zinc/57/03/33/1044570333.db2.gz KFJPMMJHCHCKDM-UHFFFAOYSA-N 1 2 345.399 4.262 20 30 EIEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccc(F)c1 ZINC000051378492 1044570347 /nfs/dbraw/zinc/57/03/47/1044570347.db2.gz KFJPMMJHCHCKDM-UHFFFAOYSA-N 1 2 345.399 4.262 20 30 EIEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309307 1044797805 /nfs/dbraw/zinc/79/78/05/1044797805.db2.gz BSEHLEUCSXECNR-AWEZNQCLSA-N 1 2 342.826 4.198 20 30 EIEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309307 1044797824 /nfs/dbraw/zinc/79/78/24/1044797824.db2.gz BSEHLEUCSXECNR-AWEZNQCLSA-N 1 2 342.826 4.198 20 30 EIEDLO CCc1ccccc1N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000735971946 1044884471 /nfs/dbraw/zinc/88/44/71/1044884471.db2.gz DLSIZAGQJOYQDE-UHFFFAOYSA-N 1 2 334.876 4.405 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738055611 1045034705 /nfs/dbraw/zinc/03/47/05/1045034705.db2.gz UFKWNKIXTVAZBH-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738055611 1045034718 /nfs/dbraw/zinc/03/47/18/1045034718.db2.gz UFKWNKIXTVAZBH-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208952 1045186742 /nfs/dbraw/zinc/18/67/42/1045186742.db2.gz JINWRCWABNFSGE-CQSZACIVSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208952 1045186750 /nfs/dbraw/zinc/18/67/50/1045186750.db2.gz JINWRCWABNFSGE-CQSZACIVSA-N 1 2 348.491 4.340 20 30 EIEDLO CC(=[NH+]Nc1cc(C)cc(C)c1)c1c(F)cccc1N1CCOCC1 ZINC000741161744 1045278337 /nfs/dbraw/zinc/27/83/37/1045278337.db2.gz GPFYBQSCATVINT-UHFFFAOYSA-N 1 2 341.430 4.115 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1noc(-c2ccccc2)n1 ZINC000611393804 1045298559 /nfs/dbraw/zinc/29/85/59/1045298559.db2.gz MFAOTXZGHWKAQY-IFXJQAMLSA-N 1 2 344.418 4.336 20 30 EIEDLO C=CCC1(CNC(=O)N(C)CCCc2[nH+]ccn2CCC)CCCC1 ZINC000455483181 1045690941 /nfs/dbraw/zinc/69/09/41/1045690941.db2.gz URUMPGSAEXZEQK-UHFFFAOYSA-N 1 2 346.519 4.004 20 30 EIEDLO CC(C)[N@H+](Cc1occc1Br)Cc1ccc(C#N)cc1 ZINC000768335510 1045790480 /nfs/dbraw/zinc/79/04/80/1045790480.db2.gz WSHJTYUTKLTZCL-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO CC(C)[N@@H+](Cc1occc1Br)Cc1ccc(C#N)cc1 ZINC000768335510 1045790499 /nfs/dbraw/zinc/79/04/99/1045790499.db2.gz WSHJTYUTKLTZCL-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO CCSc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459388547 1045802098 /nfs/dbraw/zinc/80/20/98/1045802098.db2.gz FXMPKYXZMBFTDZ-CYBMUJFWSA-N 1 2 341.436 4.429 20 30 EIEDLO Fc1ccc(F)c(CN[NH+]=Cc2ccc(N3CCCCC3)s2)c1 ZINC000915979123 1045851588 /nfs/dbraw/zinc/85/15/88/1045851588.db2.gz PNCYOLJFZZHYIC-UHFFFAOYSA-N 1 2 335.423 4.140 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(OCC(F)(F)F)cc1 ZINC000769608330 1046031934 /nfs/dbraw/zinc/03/19/34/1046031934.db2.gz SCMPDMONUKIFLY-TWGQIWQCSA-N 1 2 346.308 4.172 20 30 EIEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000769821927 1046069582 /nfs/dbraw/zinc/06/95/82/1046069582.db2.gz KKDWOWAEFKZQOT-UHFFFAOYSA-N 1 2 330.363 4.026 20 30 EIEDLO CCCCCCCOc1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212095475 1046091005 /nfs/dbraw/zinc/09/10/05/1046091005.db2.gz JZZFNQNZWULZCI-UHFFFAOYSA-N 1 2 329.444 4.292 20 30 EIEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000769962115 1046110322 /nfs/dbraw/zinc/11/03/22/1046110322.db2.gz BHZHXMHAHYTNHN-LLVKDONJSA-N 1 2 335.270 4.026 20 30 EIEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000769962115 1046110314 /nfs/dbraw/zinc/11/03/14/1046110314.db2.gz BHZHXMHAHYTNHN-LLVKDONJSA-N 1 2 335.270 4.026 20 30 EIEDLO CCCOc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162248124 1046159217 /nfs/dbraw/zinc/15/92/17/1046159217.db2.gz VSJQOPXGVPJSOY-UHFFFAOYSA-N 1 2 325.412 4.165 20 30 EIEDLO C=C(C)COCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124510269 1046242979 /nfs/dbraw/zinc/24/29/79/1046242979.db2.gz RMOTYFLCWQBADL-IBGZPJMESA-N 1 2 349.434 4.008 20 30 EIEDLO N#CC1(c2cc[nH+]c(NC[C@@H](O)c3c(Cl)cccc3Cl)c2)CC1 ZINC001170032827 1046494993 /nfs/dbraw/zinc/49/49/93/1046494993.db2.gz VRMWJTFCQKVVCP-CQSZACIVSA-N 1 2 348.233 4.089 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Br)cc3)n2c1 ZINC000771838212 1046496757 /nfs/dbraw/zinc/49/67/57/1046496757.db2.gz NAZBVZPFMUOQMU-FPLPWBNLSA-N 1 2 341.208 4.301 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000459407921 1046627247 /nfs/dbraw/zinc/62/72/47/1046627247.db2.gz WAUBLSJTAMZEMG-CQSZACIVSA-N 1 2 335.407 4.196 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000536667368 1046642526 /nfs/dbraw/zinc/64/25/26/1046642526.db2.gz ALVLJHVRYUZTIY-QGZVFWFLSA-N 1 2 345.446 4.261 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000536667368 1046642534 /nfs/dbraw/zinc/64/25/34/1046642534.db2.gz ALVLJHVRYUZTIY-QGZVFWFLSA-N 1 2 345.446 4.261 20 30 EIEDLO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C#N)cc2)c1 ZINC000459475270 1046721655 /nfs/dbraw/zinc/72/16/55/1046721655.db2.gz ZNTZNLMMBOQKCX-OXQOHEQNSA-N 1 2 349.434 4.008 20 30 EIEDLO Cc1cc(CC#N)ccc1NC(=[NH2+])c1ccc(Br)cc1F ZINC001170463187 1046755593 /nfs/dbraw/zinc/75/55/93/1046755593.db2.gz PVEBPJKCYMFZEN-UHFFFAOYSA-N 1 2 346.203 4.400 20 30 EIEDLO [NH2+]=C(Nc1ccc(CS)cc1)c1ccc(Br)cc1F ZINC001170462227 1046761746 /nfs/dbraw/zinc/76/17/46/1046761746.db2.gz FRWPACJDSDZTNR-UHFFFAOYSA-N 1 2 339.233 4.455 20 30 EIEDLO COc1cccc(C=C2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000537048645 1046916188 /nfs/dbraw/zinc/91/61/88/1046916188.db2.gz UZAQCOOBELWRAF-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624736 1047395049 /nfs/dbraw/zinc/39/50/49/1047395049.db2.gz WRUDIQYNYZAFOH-UHFFFAOYSA-N 1 2 342.493 4.147 20 30 EIEDLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624736 1047395061 /nfs/dbraw/zinc/39/50/61/1047395061.db2.gz WRUDIQYNYZAFOH-UHFFFAOYSA-N 1 2 342.493 4.147 20 30 EIEDLO CCCCCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156583 1047526449 /nfs/dbraw/zinc/52/64/49/1047526449.db2.gz FHNSPPZRAMYQCN-UHFFFAOYSA-N 1 2 331.504 4.286 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473918 1048357947 /nfs/dbraw/zinc/35/79/47/1048357947.db2.gz NDOSEZZTAZTSFW-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473918 1048357956 /nfs/dbraw/zinc/35/79/56/1048357956.db2.gz NDOSEZZTAZTSFW-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO C=CCC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144075446 1048407674 /nfs/dbraw/zinc/40/76/74/1048407674.db2.gz ORPJGVTUGTXUCL-OAHLLOKOSA-N 1 2 343.298 4.315 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1ccc(Cl)cc1F ZINC000809698499 1048460015 /nfs/dbraw/zinc/46/00/15/1048460015.db2.gz CAQITYVTJOQVJM-QGZVFWFLSA-N 1 2 347.817 4.269 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1F ZINC000809699850 1048466599 /nfs/dbraw/zinc/46/65/99/1048466599.db2.gz XVTIYBLPYBXJAG-IBGZPJMESA-N 1 2 339.801 4.129 20 30 EIEDLO CC(C)(C)Sc1c(Br)cccc1C[NH2+]CCC#N ZINC000845964632 1048781414 /nfs/dbraw/zinc/78/14/14/1048781414.db2.gz JRLWXDPWXIRXLN-UHFFFAOYSA-N 1 2 327.291 4.343 20 30 EIEDLO C[N@@H+](Cc1csc(Cl)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846006583 1048786745 /nfs/dbraw/zinc/78/67/45/1048786745.db2.gz JLTORNMOXSCWSQ-ZDUSSCGKSA-N 1 2 341.263 4.092 20 30 EIEDLO C[N@H+](Cc1csc(Cl)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846006583 1048786764 /nfs/dbraw/zinc/78/67/64/1048786764.db2.gz JLTORNMOXSCWSQ-ZDUSSCGKSA-N 1 2 341.263 4.092 20 30 EIEDLO C=CCC[C@@H](C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001132621026 1048953119 /nfs/dbraw/zinc/95/31/19/1048953119.db2.gz BVXIUSGSGCGIPX-NHCUHLMSSA-N 1 2 334.463 4.039 20 30 EIEDLO C=CCC[C@@H](C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001132621026 1048953137 /nfs/dbraw/zinc/95/31/37/1048953137.db2.gz BVXIUSGSGCGIPX-NHCUHLMSSA-N 1 2 334.463 4.039 20 30 EIEDLO CN(c1ccc(Nc2ccc(C#N)cc2C#N)c[nH+]1)C1CCCCC1 ZINC001212615334 1049011062 /nfs/dbraw/zinc/01/10/62/1049011062.db2.gz VGANBAHPYNZAFX-UHFFFAOYSA-N 1 2 331.423 4.337 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000811517691 1049101631 /nfs/dbraw/zinc/10/16/31/1049101631.db2.gz ZVHRWEPUQBLONT-LJQANCHMSA-N 1 2 339.801 4.129 20 30 EIEDLO O=C1c2c(cccc2Cl)O/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000811699592 1049240146 /nfs/dbraw/zinc/24/01/46/1049240146.db2.gz UFYMDAMIJNLLKZ-VGOFMYFVSA-N 1 2 328.780 4.203 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(-c2ccccc2F)n1 ZINC000812731335 1049552479 /nfs/dbraw/zinc/55/24/79/1049552479.db2.gz GAKMENOLEJTBBG-GFCCVEGCSA-N 1 2 338.411 4.067 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000812794228 1049592833 /nfs/dbraw/zinc/59/28/33/1049592833.db2.gz VSNHHRUZBOKQST-LJQANCHMSA-N 1 2 339.801 4.129 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1Br ZINC000901440650 1049734447 /nfs/dbraw/zinc/73/44/47/1049734447.db2.gz YFEOBKDQVISYOL-AATRIKPKSA-N 1 2 349.228 4.131 20 30 EIEDLO CC1(C#N)C[NH+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171649945 1049771412 /nfs/dbraw/zinc/77/14/12/1049771412.db2.gz IZYJWMVETJQMGZ-UHFFFAOYSA-N 1 2 333.273 4.321 20 30 EIEDLO C=C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)c1ccccc1 ZINC001136624762 1049792095 /nfs/dbraw/zinc/79/20/95/1049792095.db2.gz ITEYQKADJNTKPN-QGZVFWFLSA-N 1 2 331.419 4.479 20 30 EIEDLO CCCCCCCC[C@@H](CC)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001172505224 1049924597 /nfs/dbraw/zinc/92/45/97/1049924597.db2.gz KHHGIXGGSJYQFP-MSOLQXFVSA-N 1 2 337.508 4.018 20 30 EIEDLO C=CCCC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000617416611 1049989643 /nfs/dbraw/zinc/98/96/43/1049989643.db2.gz YJXIIDLYBVFREO-UHFFFAOYSA-N 1 2 337.467 4.188 20 30 EIEDLO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1Br ZINC000181522128 1050172567 /nfs/dbraw/zinc/17/25/67/1050172567.db2.gz NSFJDGSWQAMLHP-UHFFFAOYSA-N 1 2 347.231 4.485 20 30 EIEDLO C=CCOC(=O)c1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697939 1050267255 /nfs/dbraw/zinc/26/72/55/1050267255.db2.gz COWBHDODTLIORL-UHFFFAOYSA-N 1 2 333.391 4.018 20 30 EIEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)sc1Br ZINC000901506422 1050287904 /nfs/dbraw/zinc/28/79/04/1050287904.db2.gz MCYSYJHGKGLTMW-PLNGDYQASA-N 1 2 339.258 4.493 20 30 EIEDLO C=C1CC=C(F)C=C1[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680302 1050526913 /nfs/dbraw/zinc/52/69/13/1050526913.db2.gz PLAOONOKCDQDJH-ZIAGYGMSSA-N 1 2 336.451 4.450 20 30 EIEDLO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cc(C)c[nH+]c1C ZINC001203668495 1050624266 /nfs/dbraw/zinc/62/42/66/1050624266.db2.gz VROYFUNQPUOPHZ-UHFFFAOYSA-N 1 2 337.423 4.200 20 30 EIEDLO N#Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1Cl ZINC001174401880 1050920422 /nfs/dbraw/zinc/92/04/22/1050920422.db2.gz XSQBZISMPMWLBA-UHFFFAOYSA-N 1 2 347.603 4.365 20 30 EIEDLO C=C(C)Cc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001190224831 1051133486 /nfs/dbraw/zinc/13/34/86/1051133486.db2.gz SKUUDEHWSLMSKU-UHFFFAOYSA-N 1 2 345.446 4.263 20 30 EIEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000154858842 1051343940 /nfs/dbraw/zinc/34/39/40/1051343940.db2.gz WLSBWWBXJMXXAI-UHFFFAOYSA-N 1 2 340.858 4.231 20 30 EIEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000154858842 1051343948 /nfs/dbraw/zinc/34/39/48/1051343948.db2.gz WLSBWWBXJMXXAI-UHFFFAOYSA-N 1 2 340.858 4.231 20 30 EIEDLO N#Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1Br ZINC001175348527 1051516248 /nfs/dbraw/zinc/51/62/48/1051516248.db2.gz FXDCQZCCPTXGIR-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001192943687 1051835406 /nfs/dbraw/zinc/83/54/06/1051835406.db2.gz DMCVOBXSEULOSQ-INIZCTEOSA-N 1 2 330.476 4.191 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1cncc2ccccc21)C(=O)OCC ZINC001183549269 1051863045 /nfs/dbraw/zinc/86/30/45/1051863045.db2.gz AGKAFVRHEDIWHT-JXFKEZNVSA-N 1 2 340.467 4.043 20 30 EIEDLO C[C@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046540 1051946594 /nfs/dbraw/zinc/94/65/94/1051946594.db2.gz XVTXBCBKRQXTMF-JLTOFOAXSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@H](C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046540 1051946607 /nfs/dbraw/zinc/94/66/07/1051946607.db2.gz XVTXBCBKRQXTMF-JLTOFOAXSA-N 1 2 342.389 4.013 20 30 EIEDLO C=CCOC(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001194323852 1052127380 /nfs/dbraw/zinc/12/73/80/1052127380.db2.gz NNEKWPXUVSSPKU-UHFFFAOYSA-N 1 2 335.407 4.497 20 30 EIEDLO C=CCN(CCc1ccccc1)c1nc2ccccc2n2c[nH+]cc12 ZINC001185148945 1052190419 /nfs/dbraw/zinc/19/04/19/1052190419.db2.gz JYKSYDLPEYQRAL-UHFFFAOYSA-N 1 2 328.419 4.118 20 30 EIEDLO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(F)c(C#N)c1 ZINC001176958751 1052210596 /nfs/dbraw/zinc/21/05/96/1052210596.db2.gz IGKZNRWJFRIPJT-ZDUSSCGKSA-N 1 2 343.471 4.301 20 30 EIEDLO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(F)c(C#N)c1 ZINC001176958751 1052210606 /nfs/dbraw/zinc/21/06/06/1052210606.db2.gz IGKZNRWJFRIPJT-ZDUSSCGKSA-N 1 2 343.471 4.301 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)Cc2ccccc2O1 ZINC001194765040 1053099143 /nfs/dbraw/zinc/09/91/43/1053099143.db2.gz UOECVRQBFWBIJW-ZDUSSCGKSA-N 1 2 346.352 4.360 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)Cc2ccccc2O1 ZINC001194765040 1053099159 /nfs/dbraw/zinc/09/91/59/1053099159.db2.gz UOECVRQBFWBIJW-ZDUSSCGKSA-N 1 2 346.352 4.360 20 30 EIEDLO Cc1c2ccccc2oc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794698612 1053319845 /nfs/dbraw/zinc/31/98/45/1053319845.db2.gz PKRYOYHVOIXJGW-CMDGGOBGSA-N 1 2 326.421 4.155 20 30 EIEDLO CC(C)Cc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794695858 1053320812 /nfs/dbraw/zinc/32/08/12/1053320812.db2.gz QCPIZFKHZKSYTO-MDZDMXLPSA-N 1 2 328.481 4.299 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc(Cl)sc2Cl)s1 ZINC000794696653 1053325270 /nfs/dbraw/zinc/32/52/70/1053325270.db2.gz HPLAVFGPLAUEKD-ONEGZZNKSA-N 1 2 347.292 4.469 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000765001958 1053416877 /nfs/dbraw/zinc/41/68/77/1053416877.db2.gz MTXLRIOMFUPPMX-UHFFFAOYSA-N 1 2 334.514 4.160 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000765001958 1053416883 /nfs/dbraw/zinc/41/68/83/1053416883.db2.gz MTXLRIOMFUPPMX-UHFFFAOYSA-N 1 2 334.514 4.160 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765049484 1053429543 /nfs/dbraw/zinc/42/95/43/1053429543.db2.gz QWNNFCCZAAWSLH-HOTGVXAUSA-N 1 2 342.512 4.121 20 30 EIEDLO Cc1cccc(Cl)c1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853355665 1053671199 /nfs/dbraw/zinc/67/11/99/1053671199.db2.gz SFEKYAWILLRSEM-UHFFFAOYSA-N 1 2 343.858 4.056 20 30 EIEDLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)c1OC ZINC000866358358 1053701827 /nfs/dbraw/zinc/70/18/27/1053701827.db2.gz XSGFHJZWCCXRBE-KBPBESRZSA-N 1 2 340.423 4.001 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C#N)c(F)c1 ZINC000776744785 1053819628 /nfs/dbraw/zinc/81/96/28/1053819628.db2.gz BWJIAEZHEHYTPM-LBPRGKRZSA-N 1 2 338.411 4.067 20 30 EIEDLO Cc1cc2ccccc2nc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000776782245 1053873458 /nfs/dbraw/zinc/87/34/58/1053873458.db2.gz GOTUJZYHSOHHAD-UHFFFAOYSA-N 1 2 331.423 4.007 20 30 EIEDLO CCCCCCCCCC[N@@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001201875393 1054940624 /nfs/dbraw/zinc/94/06/24/1054940624.db2.gz XWLKXLBVMRXXSF-UHFFFAOYSA-N 1 2 336.476 4.350 20 30 EIEDLO CCCCCCCCCC[N@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001201875393 1054940634 /nfs/dbraw/zinc/94/06/34/1054940634.db2.gz XWLKXLBVMRXXSF-UHFFFAOYSA-N 1 2 336.476 4.350 20 30 EIEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000876946138 1054986252 /nfs/dbraw/zinc/98/62/52/1054986252.db2.gz GULPVGFUGDHAOG-UHFFFAOYSA-N 1 2 341.842 4.218 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)nc1Cl ZINC000862379104 1055057059 /nfs/dbraw/zinc/05/70/59/1055057059.db2.gz HHLZLKMAXLWTLU-MRVPVSSYSA-N 1 2 329.709 4.069 20 30 EIEDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877534431 1055074207 /nfs/dbraw/zinc/07/42/07/1055074207.db2.gz IHAPGEZYTRXFET-KRWDZBQOSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877534431 1055074221 /nfs/dbraw/zinc/07/42/21/1055074221.db2.gz IHAPGEZYTRXFET-KRWDZBQOSA-N 1 2 329.831 4.198 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Br)s1 ZINC000119107868 1055114073 /nfs/dbraw/zinc/11/40/73/1055114073.db2.gz XSCYRGMBZNBNAN-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO CC[N@H+](Cc1ncccc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991816 1055171408 /nfs/dbraw/zinc/17/14/08/1055171408.db2.gz UGHHFMZCXKQYSS-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1ncccc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991816 1055171411 /nfs/dbraw/zinc/17/14/11/1055171411.db2.gz UGHHFMZCXKQYSS-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO C=CCCOCCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921662758 1055506165 /nfs/dbraw/zinc/50/61/65/1055506165.db2.gz OGJYDQODLXKCCL-UHFFFAOYSA-N 1 2 341.455 4.395 20 30 EIEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)OCC ZINC000921663814 1055509178 /nfs/dbraw/zinc/50/91/78/1055509178.db2.gz QQADNEMVVPNURM-KRWDZBQOSA-N 1 2 327.428 4.003 20 30 EIEDLO N#Cc1ccc(Cl)cc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301256734 1055912792 /nfs/dbraw/zinc/91/27/92/1055912792.db2.gz DMYMPLKVTZSSSN-UHFFFAOYSA-N 1 2 326.831 4.209 20 30 EIEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000301630086 1055961825 /nfs/dbraw/zinc/96/18/25/1055961825.db2.gz ILPCHMVGJYZXJP-HNAYVOBHSA-N 1 2 345.450 4.007 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(-n2cccn2)cc1 ZINC000737442968 1058333922 /nfs/dbraw/zinc/33/39/22/1058333922.db2.gz DHNYEUJUCLIGPS-BQYQJAHWSA-N 1 2 348.793 4.070 20 30 EIEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1[N+](=O)[O-] ZINC000737443154 1058337054 /nfs/dbraw/zinc/33/70/54/1058337054.db2.gz HQAHFHOSOWWUOK-WAYWQWQTSA-N 1 2 341.754 4.100 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCc2nc3ccccc3s2)c1O ZINC000743341097 1058917760 /nfs/dbraw/zinc/91/77/60/1058917760.db2.gz RMCLVAFPOUKIRH-UNOMPAQXSA-N 1 2 326.421 4.062 20 30 EIEDLO C#CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(F)cc1 ZINC000744209002 1059330116 /nfs/dbraw/zinc/33/01/16/1059330116.db2.gz NOQBSJHFTBJXMN-UHFFFAOYSA-N 1 2 338.357 4.255 20 30 EIEDLO C#CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(F)cc1 ZINC000744209002 1059330138 /nfs/dbraw/zinc/33/01/38/1059330138.db2.gz NOQBSJHFTBJXMN-UHFFFAOYSA-N 1 2 338.357 4.255 20 30 EIEDLO C=CCC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000532939829 1032414445 /nfs/dbraw/zinc/41/44/45/1032414445.db2.gz WTNMPYKMDGGRJX-LJQANCHMSA-N 1 2 333.435 4.009 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529612351 1032478155 /nfs/dbraw/zinc/47/81/55/1032478155.db2.gz VCNUJJVZZNDHNR-LLVKDONJSA-N 1 2 348.219 4.048 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529612351 1032478160 /nfs/dbraw/zinc/47/81/60/1032478160.db2.gz VCNUJJVZZNDHNR-LLVKDONJSA-N 1 2 348.219 4.048 20 30 EIEDLO Cn1cc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC000783705695 1032505596 /nfs/dbraw/zinc/50/55/96/1032505596.db2.gz BKNOQCZELJNNGU-VOTSOKGWSA-N 1 2 333.416 4.322 20 30 EIEDLO CCCCCCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001266263321 1018849001 /nfs/dbraw/zinc/84/90/01/1018849001.db2.gz CFJLQFLVNRXTHW-IBGZPJMESA-N 1 2 348.556 4.253 20 30 EIEDLO C#CC[N@@H+](Cc1cnc(Br)s1)[C@@H]1CCc2ccccc21 ZINC001139913444 1019082042 /nfs/dbraw/zinc/08/20/42/1019082042.db2.gz CLKKOTLYJBUCPH-OAHLLOKOSA-N 1 2 347.281 4.028 20 30 EIEDLO C#CC[N@H+](Cc1cnc(Br)s1)[C@@H]1CCc2ccccc21 ZINC001139913444 1019082055 /nfs/dbraw/zinc/08/20/55/1019082055.db2.gz CLKKOTLYJBUCPH-OAHLLOKOSA-N 1 2 347.281 4.028 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000509763698 1032879885 /nfs/dbraw/zinc/87/98/85/1032879885.db2.gz CMHVQJVIKUJAPB-AWEZNQCLSA-N 1 2 341.842 4.184 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000509763698 1032879886 /nfs/dbraw/zinc/87/98/86/1032879886.db2.gz CMHVQJVIKUJAPB-AWEZNQCLSA-N 1 2 341.842 4.184 20 30 EIEDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(Cl)cc1C#N)CCC2 ZINC000187252596 1020211469 /nfs/dbraw/zinc/21/14/69/1020211469.db2.gz XTHWLJYMBFYSLG-MRXNPFEDSA-N 1 2 331.872 4.486 20 30 EIEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(Cl)cc1C#N)CCC2 ZINC000187252596 1020211476 /nfs/dbraw/zinc/21/14/76/1020211476.db2.gz XTHWLJYMBFYSLG-MRXNPFEDSA-N 1 2 331.872 4.486 20 30 EIEDLO C#CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001167178939 1020490143 /nfs/dbraw/zinc/49/01/43/1020490143.db2.gz PSIWREFZXDAXOA-LJQANCHMSA-N 1 2 340.810 4.371 20 30 EIEDLO C#CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001167178939 1020490174 /nfs/dbraw/zinc/49/01/74/1020490174.db2.gz PSIWREFZXDAXOA-LJQANCHMSA-N 1 2 340.810 4.371 20 30 EIEDLO Cc1cc(Nc2cc[nH+]c3cc(Br)ccc23)cnc1C#N ZINC001210202627 1020918405 /nfs/dbraw/zinc/91/84/05/1020918405.db2.gz YIUBIJVMYCOCBP-UHFFFAOYSA-N 1 2 339.196 4.316 20 30 EIEDLO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000185926262 1021669234 /nfs/dbraw/zinc/66/92/34/1021669234.db2.gz SBEASRSFISFLHK-CYBMUJFWSA-N 1 2 342.361 4.393 20 30 EIEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cc2cccc(F)c2o1 ZINC000330036505 1023229289 /nfs/dbraw/zinc/22/92/89/1023229289.db2.gz YHVKCMPWDZXCIG-WCQYABFASA-N 1 2 327.359 4.049 20 30 EIEDLO Cc1noc(C)c1C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376842630 1023322698 /nfs/dbraw/zinc/32/26/98/1023322698.db2.gz MRNAXPKEWMPRLA-LBPRGKRZSA-N 1 2 338.436 4.137 20 30 EIEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc(Br)s1 ZINC000891501183 1023713954 /nfs/dbraw/zinc/71/39/54/1023713954.db2.gz ITSPSPYVTHHRED-UHFFFAOYSA-N 1 2 327.272 4.076 20 30 EIEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccc(Br)s1 ZINC000891501183 1023713964 /nfs/dbraw/zinc/71/39/64/1023713964.db2.gz ITSPSPYVTHHRED-UHFFFAOYSA-N 1 2 327.272 4.076 20 30 EIEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000500401611 1023798089 /nfs/dbraw/zinc/79/80/89/1023798089.db2.gz JENYIMKNJTYFBE-GOSISDBHSA-N 1 2 347.384 4.018 20 30 EIEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000500401611 1023798100 /nfs/dbraw/zinc/79/81/00/1023798100.db2.gz JENYIMKNJTYFBE-GOSISDBHSA-N 1 2 347.384 4.018 20 30 EIEDLO COc1ccc(F)c(F)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143403798 1023860894 /nfs/dbraw/zinc/86/08/94/1023860894.db2.gz HOWWMXPAKMWSNI-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO Oc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000891769998 1023963201 /nfs/dbraw/zinc/96/32/01/1023963201.db2.gz DYIKELZHKIKXSU-UWVGGRQHSA-N 1 2 345.258 4.094 20 30 EIEDLO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000510639537 1024141141 /nfs/dbraw/zinc/14/11/41/1024141141.db2.gz FJZPUPPBIKXAAZ-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000510639537 1024141163 /nfs/dbraw/zinc/14/11/63/1024141163.db2.gz FJZPUPPBIKXAAZ-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO C=CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(OC)cc1 ZINC000510639537 1024141182 /nfs/dbraw/zinc/14/11/82/1024141182.db2.gz FJZPUPPBIKXAAZ-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(OC)cc1 ZINC000510639537 1024141190 /nfs/dbraw/zinc/14/11/90/1024141190.db2.gz FJZPUPPBIKXAAZ-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510916214 1024804655 /nfs/dbraw/zinc/80/46/55/1024804655.db2.gz LBVPBLVJOPJNLT-AWEZNQCLSA-N 1 2 325.225 4.228 20 30 EIEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C2CCCCCCC2)s1 ZINC001140523046 1025327761 /nfs/dbraw/zinc/32/77/61/1025327761.db2.gz DMLZCHGIKUJOHG-UHFFFAOYSA-N 1 2 334.485 4.363 20 30 EIEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C2CCCCCCC2)s1 ZINC001140523046 1025327776 /nfs/dbraw/zinc/32/77/76/1025327776.db2.gz DMLZCHGIKUJOHG-UHFFFAOYSA-N 1 2 334.485 4.363 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccccc2)no1 ZINC000512185570 1026287276 /nfs/dbraw/zinc/28/72/76/1026287276.db2.gz KERZADTWNSZRSR-UHFFFAOYSA-N 1 2 338.407 4.005 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccccc2)no1 ZINC000512185570 1026287288 /nfs/dbraw/zinc/28/72/88/1026287288.db2.gz KERZADTWNSZRSR-UHFFFAOYSA-N 1 2 338.407 4.005 20 30 EIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370899898 1026489411 /nfs/dbraw/zinc/48/94/11/1026489411.db2.gz RNMVYBMPSSGAKV-ZWKOTPCHSA-N 1 2 338.455 4.006 20 30 EIEDLO C=C(C)CCc1noc([C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)n1 ZINC000375714683 1026792375 /nfs/dbraw/zinc/79/23/75/1026792375.db2.gz PYSRPTASYRIURI-INIZCTEOSA-N 1 2 334.423 4.172 20 30 EIEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H](CCC#N)c1ccccc1 ZINC000301930321 1027153151 /nfs/dbraw/zinc/15/31/51/1027153151.db2.gz OGOZFQGBAGZWGY-MRXNPFEDSA-N 1 2 334.427 4.038 20 30 EIEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H](CCC#N)c1ccccc1 ZINC000301930320 1027154303 /nfs/dbraw/zinc/15/43/03/1027154303.db2.gz OGOZFQGBAGZWGY-INIZCTEOSA-N 1 2 334.427 4.038 20 30 EIEDLO N#Cc1cccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885976 1027171951 /nfs/dbraw/zinc/17/19/51/1027171951.db2.gz WJVZWQRMNFRPGE-MSOLQXFVSA-N 1 2 330.391 4.164 20 30 EIEDLO C=C(C)[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000302390018 1027302732 /nfs/dbraw/zinc/30/27/32/1027302732.db2.gz JGNAQWWNUKPABL-INIZCTEOSA-N 1 2 326.350 4.220 20 30 EIEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)cc1OC ZINC000896505965 1027528443 /nfs/dbraw/zinc/52/84/43/1027528443.db2.gz RBJLGVIAOSSUCX-INIZCTEOSA-N 1 2 336.435 4.106 20 30 EIEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)cc1OC ZINC000896505965 1027528455 /nfs/dbraw/zinc/52/84/55/1027528455.db2.gz RBJLGVIAOSSUCX-INIZCTEOSA-N 1 2 336.435 4.106 20 30 EIEDLO O=C(C[C@@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329106323 1027595019 /nfs/dbraw/zinc/59/50/19/1027595019.db2.gz OSNGIHODUGIVQT-HNNXBMFYSA-N 1 2 325.412 4.044 20 30 EIEDLO C[N@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)c1F ZINC000223521305 1027619185 /nfs/dbraw/zinc/61/91/85/1027619185.db2.gz RQGZSIKRCXVPHU-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)c1F ZINC000223521305 1027619210 /nfs/dbraw/zinc/61/92/10/1027619210.db2.gz RQGZSIKRCXVPHU-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444698312 1027988238 /nfs/dbraw/zinc/98/82/38/1027988238.db2.gz BTOKRXTZLXOODN-FOIQADDNSA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444698312 1027988260 /nfs/dbraw/zinc/98/82/60/1027988260.db2.gz BTOKRXTZLXOODN-FOIQADDNSA-N 1 2 340.854 4.368 20 30 EIEDLO CC[C@@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329793792 1028124186 /nfs/dbraw/zinc/12/41/86/1028124186.db2.gz FUARBBGQLWEXGD-QGZVFWFLSA-N 1 2 338.455 4.306 20 30 EIEDLO O=C(NC1CCC2(CCCCC2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329823857 1028129751 /nfs/dbraw/zinc/12/97/51/1028129751.db2.gz BHADZMLSTQLWGN-MRXNPFEDSA-N 1 2 344.503 4.396 20 30 EIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC2(CCCCC2)CC1 ZINC000329873398 1028145850 /nfs/dbraw/zinc/14/58/50/1028145850.db2.gz DUIDWQBEVSWGKS-UHFFFAOYSA-N 1 2 344.503 4.070 20 30 EIEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc2cccc(F)c2o1 ZINC000330006827 1028181166 /nfs/dbraw/zinc/18/11/66/1028181166.db2.gz DDOHMTMALKADJH-WCQYABFASA-N 1 2 327.359 4.049 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000052580700 1029171417 /nfs/dbraw/zinc/17/14/17/1029171417.db2.gz FALXFGDOUXYSQF-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000052580700 1029171428 /nfs/dbraw/zinc/17/14/28/1029171428.db2.gz FALXFGDOUXYSQF-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO C=CC[C@@H]1N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1(C)C ZINC000278506827 1029380038 /nfs/dbraw/zinc/38/00/38/1029380038.db2.gz XXELXCAASPTMNA-IBGZPJMESA-N 1 2 337.467 4.138 20 30 EIEDLO CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C[C@H](C)C#N ZINC000151678296 1029655452 /nfs/dbraw/zinc/65/54/52/1029655452.db2.gz SAZXYZWHRQRYGI-CYBMUJFWSA-N 1 2 328.847 4.087 20 30 EIEDLO CC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C[C@H](C)C#N ZINC000151678296 1029655457 /nfs/dbraw/zinc/65/54/57/1029655457.db2.gz SAZXYZWHRQRYGI-CYBMUJFWSA-N 1 2 328.847 4.087 20 30 EIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC2(C1)CCCCCC2 ZINC000329797944 1029825151 /nfs/dbraw/zinc/82/51/51/1029825151.db2.gz GADQGSBAMGKOHZ-UHFFFAOYSA-N 1 2 344.503 4.070 20 30 EIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000189935190 1030524461 /nfs/dbraw/zinc/52/44/61/1030524461.db2.gz ASFNBIDAFWDKIO-KRWDZBQOSA-N 1 2 344.480 4.362 20 30 EIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000189935190 1030524474 /nfs/dbraw/zinc/52/44/74/1030524474.db2.gz ASFNBIDAFWDKIO-KRWDZBQOSA-N 1 2 344.480 4.362 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000448283214 1030704230 /nfs/dbraw/zinc/70/42/30/1030704230.db2.gz KVOONFDBMONMBA-CMOCDZPBSA-N 1 2 338.495 4.424 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000448283214 1030704253 /nfs/dbraw/zinc/70/42/53/1030704253.db2.gz KVOONFDBMONMBA-CMOCDZPBSA-N 1 2 338.495 4.424 20 30 EIEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1cnn(-c2ccccc2)c1 ZINC000448456949 1030814505 /nfs/dbraw/zinc/81/45/05/1030814505.db2.gz NUVVSHOUPCHQQG-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1cnn(-c2ccccc2)c1 ZINC000448456949 1030814512 /nfs/dbraw/zinc/81/45/12/1030814512.db2.gz NUVVSHOUPCHQQG-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO C=CCCC1(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000658097990 1030822726 /nfs/dbraw/zinc/82/27/26/1030822726.db2.gz KYKJPLXAWQMJES-KRWDZBQOSA-N 1 2 328.435 4.149 20 30 EIEDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2C#N)ccc1SC ZINC000103141847 1030849969 /nfs/dbraw/zinc/84/99/69/1030849969.db2.gz PQBZTEWUNSZGNV-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)ccc1SC ZINC000103141847 1030849972 /nfs/dbraw/zinc/84/99/72/1030849972.db2.gz PQBZTEWUNSZGNV-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129845371 1031358785 /nfs/dbraw/zinc/35/87/85/1031358785.db2.gz SZYLXIRNLJYNPG-IFXJQAMLSA-N 1 2 346.434 4.087 20 30 EIEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129845371 1031358802 /nfs/dbraw/zinc/35/88/02/1031358802.db2.gz SZYLXIRNLJYNPG-IFXJQAMLSA-N 1 2 346.434 4.087 20 30 EIEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235453 1031564310 /nfs/dbraw/zinc/56/43/10/1031564310.db2.gz VYBIFFGUQCDEAH-KRWDZBQOSA-N 1 2 336.464 4.234 20 30 EIEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235453 1031564318 /nfs/dbraw/zinc/56/43/18/1031564318.db2.gz VYBIFFGUQCDEAH-KRWDZBQOSA-N 1 2 336.464 4.234 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365291217 1031606710 /nfs/dbraw/zinc/60/67/10/1031606710.db2.gz OLYHKCYGRABXTQ-LBPRGKRZSA-N 1 2 338.411 4.067 20 30 EIEDLO CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000509781202 1033876342 /nfs/dbraw/zinc/87/63/42/1033876342.db2.gz GJJJMVZMIMSOIN-SNVBAGLBSA-N 1 2 349.194 4.449 20 30 EIEDLO CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000509781202 1033876343 /nfs/dbraw/zinc/87/63/43/1033876343.db2.gz GJJJMVZMIMSOIN-SNVBAGLBSA-N 1 2 349.194 4.449 20 30 EIEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000433316439 1034215003 /nfs/dbraw/zinc/21/50/03/1034215003.db2.gz AIAJBGUORXHFLU-UHFFFAOYSA-N 1 2 328.847 4.087 20 30 EIEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000433316439 1034215023 /nfs/dbraw/zinc/21/50/23/1034215023.db2.gz AIAJBGUORXHFLU-UHFFFAOYSA-N 1 2 328.847 4.087 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000614405826 1034554498 /nfs/dbraw/zinc/55/44/98/1034554498.db2.gz IKWOQLOCIBEHBN-LJQANCHMSA-N 1 2 326.827 4.094 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000614405826 1034554505 /nfs/dbraw/zinc/55/45/05/1034554505.db2.gz IKWOQLOCIBEHBN-LJQANCHMSA-N 1 2 326.827 4.094 20 30 EIEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181897 1034637746 /nfs/dbraw/zinc/63/77/46/1034637746.db2.gz UVXCBJGITZHMLQ-VXGBXAGGSA-N 1 2 332.835 4.369 20 30 EIEDLO C=CCOc1ccccc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430036667 1035419544 /nfs/dbraw/zinc/41/95/44/1035419544.db2.gz PRCXYEFUCSNADL-UHFFFAOYSA-N 1 2 325.305 4.098 20 30 EIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000513729904 1035837729 /nfs/dbraw/zinc/83/77/29/1035837729.db2.gz SPEQJRIGSSLZSK-UHFFFAOYSA-N 1 2 328.378 4.389 20 30 EIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000513729904 1035837730 /nfs/dbraw/zinc/83/77/30/1035837730.db2.gz SPEQJRIGSSLZSK-UHFFFAOYSA-N 1 2 328.378 4.389 20 30 EIEDLO N#CC[C@H]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000596325941 1035852447 /nfs/dbraw/zinc/85/24/47/1035852447.db2.gz PYQNSXDVXANILF-LLVKDONJSA-N 1 2 348.219 4.266 20 30 EIEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000597230667 1036162824 /nfs/dbraw/zinc/16/28/24/1036162824.db2.gz SZSOYUIFMFNOGI-NRFANRHFSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000597230667 1036162831 /nfs/dbraw/zinc/16/28/31/1036162831.db2.gz SZSOYUIFMFNOGI-NRFANRHFSA-N 1 2 336.435 4.010 20 30 EIEDLO N#CCCCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000588162448 1036233838 /nfs/dbraw/zinc/23/38/38/1036233838.db2.gz MOMUYLWOGJTYFK-UHFFFAOYSA-N 1 2 334.423 4.014 20 30 EIEDLO CCOc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1OC(F)F ZINC000513750654 1036440433 /nfs/dbraw/zinc/44/04/33/1036440433.db2.gz MAMMFAKWJXHVIM-UHFFFAOYSA-N 1 2 340.414 4.448 20 30 EIEDLO CCOc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1OC(F)F ZINC000513750654 1036440440 /nfs/dbraw/zinc/44/04/40/1036440440.db2.gz MAMMFAKWJXHVIM-UHFFFAOYSA-N 1 2 340.414 4.448 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000588928641 1036606881 /nfs/dbraw/zinc/60/68/81/1036606881.db2.gz KZPIORGTFFQXGL-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000588928641 1036606895 /nfs/dbraw/zinc/60/68/95/1036606895.db2.gz KZPIORGTFFQXGL-UHFFFAOYSA-N 1 2 332.494 4.097 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602884527 1036661371 /nfs/dbraw/zinc/66/13/71/1036661371.db2.gz NSKXYHYVRMHROA-CYBMUJFWSA-N 1 2 349.356 4.486 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602884527 1036661379 /nfs/dbraw/zinc/66/13/79/1036661379.db2.gz NSKXYHYVRMHROA-CYBMUJFWSA-N 1 2 349.356 4.486 20 30 EIEDLO C=C1CCC(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000907808866 1036744063 /nfs/dbraw/zinc/74/40/63/1036744063.db2.gz HKRZDCBMCCSICM-KRWDZBQOSA-N 1 2 341.499 4.177 20 30 EIEDLO C=C1CCC(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC000907808866 1036744080 /nfs/dbraw/zinc/74/40/80/1036744080.db2.gz HKRZDCBMCCSICM-KRWDZBQOSA-N 1 2 341.499 4.177 20 30 EIEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678991 1037131728 /nfs/dbraw/zinc/13/17/28/1037131728.db2.gz NJGNPZITWAMOCS-UHFFFAOYSA-N 1 2 343.430 4.274 20 30 EIEDLO Cc1ccccc1-c1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678991 1037131744 /nfs/dbraw/zinc/13/17/44/1037131744.db2.gz NJGNPZITWAMOCS-UHFFFAOYSA-N 1 2 343.430 4.274 20 30 EIEDLO COc1cccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000669709210 1037178584 /nfs/dbraw/zinc/17/85/84/1037178584.db2.gz RKVMTXQOHYRZKO-NXEZZACHSA-N 1 2 345.258 4.007 20 30 EIEDLO CCc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1 ZINC000272645475 1037258561 /nfs/dbraw/zinc/25/85/61/1037258561.db2.gz YIBQPRJXZWZZFM-UHFFFAOYSA-N 1 2 325.481 4.498 20 30 EIEDLO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001232471226 1037475442 /nfs/dbraw/zinc/47/54/42/1037475442.db2.gz OBSBIPMEEPHGGU-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001232471226 1037475444 /nfs/dbraw/zinc/47/54/44/1037475444.db2.gz OBSBIPMEEPHGGU-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000488434165 1037591386 /nfs/dbraw/zinc/59/13/86/1037591386.db2.gz KALBJTRSFCAZFG-UHFFFAOYSA-N 1 2 334.316 4.495 20 30 EIEDLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1ccncc1C#N ZINC000592103176 1037729614 /nfs/dbraw/zinc/72/96/14/1037729614.db2.gz DCMIFRPBRUNOPU-SFHVURJKSA-N 1 2 343.858 4.492 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176983 1037887653 /nfs/dbraw/zinc/88/76/53/1037887653.db2.gz SWFLTRWUVNTYQS-LBPRGKRZSA-N 1 2 329.787 4.313 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176983 1037887662 /nfs/dbraw/zinc/88/76/62/1037887662.db2.gz SWFLTRWUVNTYQS-LBPRGKRZSA-N 1 2 329.787 4.313 20 30 EIEDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000489576962 1038120436 /nfs/dbraw/zinc/12/04/36/1038120436.db2.gz JPZMPLJUCJITOI-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000489576962 1038120464 /nfs/dbraw/zinc/12/04/64/1038120464.db2.gz JPZMPLJUCJITOI-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000912787307 1038299277 /nfs/dbraw/zinc/29/92/77/1038299277.db2.gz DGWULCZMQYISDY-UHFFFAOYSA-N 1 2 346.500 4.330 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000912787307 1038299294 /nfs/dbraw/zinc/29/92/94/1038299294.db2.gz DGWULCZMQYISDY-UHFFFAOYSA-N 1 2 346.500 4.330 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000490064215 1038327855 /nfs/dbraw/zinc/32/78/55/1038327855.db2.gz HGHOPSDONSDZGJ-QMMMGPOBSA-N 1 2 329.322 4.023 20 30 EIEDLO N#CC1(c2ccc(CNc3cc[nH+]c(OCC(F)(F)F)c3)cc2)CC1 ZINC000594735817 1038396141 /nfs/dbraw/zinc/39/61/41/1038396141.db2.gz SUUUOVOLUZNVBQ-UHFFFAOYSA-N 1 2 347.340 4.190 20 30 EIEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Cl)cc2Cl)nn1 ZINC000424135434 1038629773 /nfs/dbraw/zinc/62/97/73/1038629773.db2.gz JLMNWUNVDSYBFQ-HNNXBMFYSA-N 1 2 325.243 4.012 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[NH+](CCC)CCC)c1=S ZINC000913058193 1038659294 /nfs/dbraw/zinc/65/92/94/1038659294.db2.gz SKEDTAXISQWCBD-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000552137361 1039172786 /nfs/dbraw/zinc/17/27/86/1039172786.db2.gz PXBCRPHIRDEUJI-AWEZNQCLSA-N 1 2 332.444 4.211 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000552137361 1039172800 /nfs/dbraw/zinc/17/28/00/1039172800.db2.gz PXBCRPHIRDEUJI-AWEZNQCLSA-N 1 2 332.444 4.211 20 30 EIEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1ccccc1 ZINC000093090808 1039630454 /nfs/dbraw/zinc/63/04/54/1039630454.db2.gz VIRSTFFXHUFGOS-KRWDZBQOSA-N 1 2 338.451 4.398 20 30 EIEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1ccccc1 ZINC000093090808 1039630464 /nfs/dbraw/zinc/63/04/64/1039630464.db2.gz VIRSTFFXHUFGOS-KRWDZBQOSA-N 1 2 338.451 4.398 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000535078689 1039948493 /nfs/dbraw/zinc/94/84/93/1039948493.db2.gz CPMRMNYZEIOPCV-SFHVURJKSA-N 1 2 336.464 4.234 20 30 EIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000535078689 1039948516 /nfs/dbraw/zinc/94/85/16/1039948516.db2.gz CPMRMNYZEIOPCV-SFHVURJKSA-N 1 2 336.464 4.234 20 30 EIEDLO C=C(C)[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000553500268 1040275537 /nfs/dbraw/zinc/27/55/37/1040275537.db2.gz QDTDCCCMLCVFMY-SFHVURJKSA-N 1 2 330.382 4.084 20 30 EIEDLO C=C(C)[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000553500268 1040275552 /nfs/dbraw/zinc/27/55/52/1040275552.db2.gz QDTDCCCMLCVFMY-SFHVURJKSA-N 1 2 330.382 4.084 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553990866 1040680990 /nfs/dbraw/zinc/68/09/90/1040680990.db2.gz IZGGIGXADMDRBB-SUMWQHHRSA-N 1 2 339.464 4.030 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553990866 1040681007 /nfs/dbraw/zinc/68/10/07/1040681007.db2.gz IZGGIGXADMDRBB-SUMWQHHRSA-N 1 2 339.464 4.030 20 30 EIEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)s1 ZINC000539831308 1040826647 /nfs/dbraw/zinc/82/66/47/1040826647.db2.gz IOTRPQHIFNJACX-UHFFFAOYSA-N 1 2 347.871 4.124 20 30 EIEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)s1 ZINC000539831308 1040826652 /nfs/dbraw/zinc/82/66/52/1040826652.db2.gz IOTRPQHIFNJACX-UHFFFAOYSA-N 1 2 347.871 4.124 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000539924173 1040909372 /nfs/dbraw/zinc/90/93/72/1040909372.db2.gz USELCQTZKSWILN-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000539924173 1040909380 /nfs/dbraw/zinc/90/93/80/1040909380.db2.gz USELCQTZKSWILN-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000538752934 1041530009 /nfs/dbraw/zinc/53/00/09/1041530009.db2.gz XWIAFZWOWOULKX-DNVCBOLYSA-N 1 2 329.465 4.275 20 30 EIEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000538752934 1041530021 /nfs/dbraw/zinc/53/00/21/1041530021.db2.gz XWIAFZWOWOULKX-DNVCBOLYSA-N 1 2 329.465 4.275 20 30 EIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000518161020 1042378455 /nfs/dbraw/zinc/37/84/55/1042378455.db2.gz GTLQLBWDVROICU-NSHDSACASA-N 1 2 346.780 4.338 20 30 EIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000491395544 1042438496 /nfs/dbraw/zinc/43/84/96/1042438496.db2.gz JELGSMPUHUAYIX-UHFFFAOYSA-N 1 2 346.858 4.219 20 30 EIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000491395544 1042438498 /nfs/dbraw/zinc/43/84/98/1042438498.db2.gz JELGSMPUHUAYIX-UHFFFAOYSA-N 1 2 346.858 4.219 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1SC)c1ccc(F)cc1 ZINC000491710867 1042491354 /nfs/dbraw/zinc/49/13/54/1042491354.db2.gz TYELGBASLLLPPY-MRXNPFEDSA-N 1 2 345.439 4.029 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(Cl)c1 ZINC000439453583 1042637841 /nfs/dbraw/zinc/63/78/41/1042637841.db2.gz LISDHCJFMXTWJR-FQEVSTJZSA-N 1 2 333.822 4.486 20 30 EIEDLO Cc1nc2ccc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2s1 ZINC000426419380 1042682404 /nfs/dbraw/zinc/68/24/04/1042682404.db2.gz LFTWPRSLTWQEGS-LJQANCHMSA-N 1 2 349.459 4.050 20 30 EIEDLO Cc1nc2ccc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2s1 ZINC000426419380 1042682412 /nfs/dbraw/zinc/68/24/12/1042682412.db2.gz LFTWPRSLTWQEGS-LJQANCHMSA-N 1 2 349.459 4.050 20 30 EIEDLO CC(C)[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Br ZINC000492566392 1042700063 /nfs/dbraw/zinc/70/00/63/1042700063.db2.gz ZBYWWYMIINWIJV-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Br ZINC000492566392 1042700075 /nfs/dbraw/zinc/70/00/75/1042700075.db2.gz ZBYWWYMIINWIJV-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000492657401 1042713714 /nfs/dbraw/zinc/71/37/14/1042713714.db2.gz SJVCWHDUTZXJAB-KRWDZBQOSA-N 1 2 327.225 4.268 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000492657401 1042713719 /nfs/dbraw/zinc/71/37/19/1042713719.db2.gz SJVCWHDUTZXJAB-KRWDZBQOSA-N 1 2 327.225 4.268 20 30 EIEDLO Cc1cccc(Oc2ccccc2C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000519036600 1042798593 /nfs/dbraw/zinc/79/85/93/1042798593.db2.gz BTNIKMHDELQWTM-UHFFFAOYSA-N 1 2 335.432 4.405 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007497329 1042940056 /nfs/dbraw/zinc/94/00/56/1042940056.db2.gz UJQVLKXXMXUXPA-GFCCVEGCSA-N 1 2 333.229 4.301 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007497329 1042940059 /nfs/dbraw/zinc/94/00/59/1042940059.db2.gz UJQVLKXXMXUXPA-GFCCVEGCSA-N 1 2 333.229 4.301 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000494008702 1043007826 /nfs/dbraw/zinc/00/78/26/1043007826.db2.gz KSWFLNAUYAWVKL-AWEZNQCLSA-N 1 2 329.444 4.158 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000494008702 1043007833 /nfs/dbraw/zinc/00/78/33/1043007833.db2.gz KSWFLNAUYAWVKL-AWEZNQCLSA-N 1 2 329.444 4.158 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(Br)c2C1 ZINC001307580596 1043089222 /nfs/dbraw/zinc/08/92/22/1043089222.db2.gz ZIWCILZUBQXYJF-ZDUSSCGKSA-N 1 2 341.252 4.440 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(Br)c2C1 ZINC001307580596 1043089235 /nfs/dbraw/zinc/08/92/35/1043089235.db2.gz ZIWCILZUBQXYJF-ZDUSSCGKSA-N 1 2 341.252 4.440 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727825268 1043316723 /nfs/dbraw/zinc/31/67/23/1043316723.db2.gz XMSPZZJUAKBMBN-INIZCTEOSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727825268 1043316735 /nfs/dbraw/zinc/31/67/35/1043316735.db2.gz XMSPZZJUAKBMBN-INIZCTEOSA-N 1 2 346.475 4.238 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000187369901 1043345340 /nfs/dbraw/zinc/34/53/40/1043345340.db2.gz HSVVLIQKODXIHO-IBGZPJMESA-N 1 2 327.378 4.259 20 30 EIEDLO C=CC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000188797257 1043368029 /nfs/dbraw/zinc/36/80/29/1043368029.db2.gz CBQUYUHFGVUZLZ-SFHVURJKSA-N 1 2 338.451 4.025 20 30 EIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000520850116 1043403713 /nfs/dbraw/zinc/40/37/13/1043403713.db2.gz FVZKKTBEVMQTAJ-NSHDSACASA-N 1 2 346.780 4.338 20 30 EIEDLO CC(=[NH+]Nc1ccnc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000730147644 1043455968 /nfs/dbraw/zinc/45/59/68/1043455968.db2.gz HBYZUHYQVWZKPA-UHFFFAOYSA-N 1 2 344.462 4.483 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000521440503 1043761087 /nfs/dbraw/zinc/76/10/87/1043761087.db2.gz JLOKQGFIOVEBBM-LJQANCHMSA-N 1 2 344.418 4.335 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000521440503 1043761115 /nfs/dbraw/zinc/76/11/15/1043761115.db2.gz JLOKQGFIOVEBBM-LJQANCHMSA-N 1 2 344.418 4.335 20 30 EIEDLO C=CC[N@H+](CC1CCCCC1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000732668779 1043982445 /nfs/dbraw/zinc/98/24/45/1043982445.db2.gz GBEPLJSGWVNFNZ-HNNXBMFYSA-N 1 2 334.529 4.060 20 30 EIEDLO C=CC[N@@H+](CC1CCCCC1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000732668779 1043982452 /nfs/dbraw/zinc/98/24/52/1043982452.db2.gz GBEPLJSGWVNFNZ-HNNXBMFYSA-N 1 2 334.529 4.060 20 30 EIEDLO CCCCCCCOc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC001212536438 1044191523 /nfs/dbraw/zinc/19/15/23/1044191523.db2.gz GOVPVOSTWLSSAR-UHFFFAOYSA-N 1 2 340.427 4.331 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174332835 1044261632 /nfs/dbraw/zinc/26/16/32/1044261632.db2.gz CYVVGAXVLPSQKU-CHWSQXEVSA-N 1 2 336.370 4.159 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761765399 1044478818 /nfs/dbraw/zinc/47/88/18/1044478818.db2.gz LUMZADZLGGTBOZ-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761765399 1044478833 /nfs/dbraw/zinc/47/88/33/1044478833.db2.gz LUMZADZLGGTBOZ-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c2ccccc12 ZINC000740765349 1045218908 /nfs/dbraw/zinc/21/89/08/1045218908.db2.gz XKCDJSDFDVNUEG-LUAWRHEFSA-N 1 2 328.371 4.392 20 30 EIEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000740765749 1045220418 /nfs/dbraw/zinc/22/04/18/1045220418.db2.gz RBIITFZKHSECJW-WQLSENKSSA-N 1 2 344.292 4.055 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861694 1045232720 /nfs/dbraw/zinc/23/27/20/1045232720.db2.gz XYQHMFIWWSUFMS-KBPBESRZSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861694 1045232730 /nfs/dbraw/zinc/23/27/30/1045232730.db2.gz XYQHMFIWWSUFMS-KBPBESRZSA-N 1 2 346.475 4.094 20 30 EIEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000611263696 1045269634 /nfs/dbraw/zinc/26/96/34/1045269634.db2.gz IMVDHESBXVZIJC-IUCAKERBSA-N 1 2 342.308 4.182 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCc3ccccc32)c1C#N ZINC000611346100 1045286798 /nfs/dbraw/zinc/28/67/98/1045286798.db2.gz OEEGEXSZWNDOKK-NRFANRHFSA-N 1 2 342.446 4.172 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCc3ccccc32)c1C#N ZINC000611346100 1045286808 /nfs/dbraw/zinc/28/68/08/1045286808.db2.gz OEEGEXSZWNDOKK-NRFANRHFSA-N 1 2 342.446 4.172 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767753577 1045631682 /nfs/dbraw/zinc/63/16/82/1045631682.db2.gz FNKOXQAFJXLUQG-ROUUACIJSA-N 1 2 348.535 4.306 20 30 EIEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000768153907 1045727039 /nfs/dbraw/zinc/72/70/39/1045727039.db2.gz PHCJLGTWJPUVHR-UHFFFAOYSA-N 1 2 338.499 4.228 20 30 EIEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000768153907 1045727054 /nfs/dbraw/zinc/72/70/54/1045727054.db2.gz PHCJLGTWJPUVHR-UHFFFAOYSA-N 1 2 338.499 4.228 20 30 EIEDLO Fc1ccc(CN[NH+]=Cc2c(Cl)cccc2N2CCCC2)c(F)c1 ZINC000763364451 1045958151 /nfs/dbraw/zinc/95/81/51/1045958151.db2.gz XNYHQJDSIJCQSY-UHFFFAOYSA-N 1 2 349.812 4.342 20 30 EIEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001170379083 1046033840 /nfs/dbraw/zinc/03/38/40/1046033840.db2.gz PSBUNZVUXJKIKI-WWDZGPRUSA-N 1 2 336.401 4.317 20 30 EIEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001170379083 1046033856 /nfs/dbraw/zinc/03/38/56/1046033856.db2.gz PSBUNZVUXJKIKI-WWDZGPRUSA-N 1 2 336.401 4.317 20 30 EIEDLO O=C1c2c([nH]c3ccc(F)cc32)CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769608986 1046034461 /nfs/dbraw/zinc/03/44/61/1046034461.db2.gz VZINGWVOSINJDN-BENRWUELSA-N 1 2 331.350 4.167 20 30 EIEDLO CCCCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770103119 1046144990 /nfs/dbraw/zinc/14/49/90/1046144990.db2.gz OAGKIOGUESDJRK-QGZVFWFLSA-N 1 2 334.508 4.060 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000770384775 1046188561 /nfs/dbraw/zinc/18/85/61/1046188561.db2.gz OBMLCINLKSSACR-QFIPXVFZSA-N 1 2 344.414 4.392 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000770384775 1046188558 /nfs/dbraw/zinc/18/85/58/1046188558.db2.gz OBMLCINLKSSACR-QFIPXVFZSA-N 1 2 344.414 4.392 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300688 1046226829 /nfs/dbraw/zinc/22/68/29/1046226829.db2.gz KQTSTDSWQCACNU-UHFFFAOYSA-N 1 2 347.462 4.110 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300688 1046226842 /nfs/dbraw/zinc/22/68/42/1046226842.db2.gz KQTSTDSWQCACNU-UHFFFAOYSA-N 1 2 347.462 4.110 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(OC(F)F)c3)n2c1 ZINC000771849913 1046513356 /nfs/dbraw/zinc/51/33/56/1046513356.db2.gz ITFCJOJYEARXGN-SREVYHEPSA-N 1 2 328.318 4.140 20 30 EIEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000459506795 1046731136 /nfs/dbraw/zinc/73/11/36/1046731136.db2.gz UMMIGAAQWARJCI-HIFRSBDPSA-N 1 2 341.333 4.019 20 30 EIEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000459506795 1046731149 /nfs/dbraw/zinc/73/11/49/1046731149.db2.gz UMMIGAAQWARJCI-HIFRSBDPSA-N 1 2 341.333 4.019 20 30 EIEDLO COc1cc(N=NC(C)C[NH+]2Cc3ccccc3C2)ccc1Cl ZINC000788472007 1047196232 /nfs/dbraw/zinc/19/62/32/1047196232.db2.gz NNIJZEWASBSSBX-UHFFFAOYSA-N 1 2 329.831 4.152 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000746889645 1047550188 /nfs/dbraw/zinc/55/01/88/1047550188.db2.gz BRRSHRUNOFMJOD-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000746889645 1047550173 /nfs/dbraw/zinc/55/01/73/1047550173.db2.gz BRRSHRUNOFMJOD-GOSISDBHSA-N 1 2 328.362 4.182 20 30 EIEDLO C=CC[N@@H+](Cc1csc(COc2ccc(OC)cc2)n1)C(C)C ZINC000919806743 1048084172 /nfs/dbraw/zinc/08/41/72/1048084172.db2.gz FDOLITQYBXJTJV-UHFFFAOYSA-N 1 2 332.469 4.127 20 30 EIEDLO C=CC[N@H+](Cc1csc(COc2ccc(OC)cc2)n1)C(C)C ZINC000919806743 1048084187 /nfs/dbraw/zinc/08/41/87/1048084187.db2.gz FDOLITQYBXJTJV-UHFFFAOYSA-N 1 2 332.469 4.127 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052146 1048124045 /nfs/dbraw/zinc/12/40/45/1048124045.db2.gz AFSRRANDABQTSC-HOTGVXAUSA-N 1 2 340.492 4.102 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052146 1048124051 /nfs/dbraw/zinc/12/40/51/1048124051.db2.gz AFSRRANDABQTSC-HOTGVXAUSA-N 1 2 340.492 4.102 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001143716822 1048163684 /nfs/dbraw/zinc/16/36/84/1048163684.db2.gz WXJRQZZPOLJLFE-UHFFFAOYSA-N 1 2 326.827 4.255 20 30 EIEDLO C[N@H+](Cc1sc2ccccc2c1Cl)Cc1cncc(C#N)c1 ZINC001144079591 1048410353 /nfs/dbraw/zinc/41/03/53/1048410353.db2.gz VWMMVPYJQVXXAM-UHFFFAOYSA-N 1 2 327.840 4.453 20 30 EIEDLO C[N@@H+](Cc1sc2ccccc2c1Cl)Cc1cncc(C#N)c1 ZINC001144079591 1048410360 /nfs/dbraw/zinc/41/03/60/1048410360.db2.gz VWMMVPYJQVXXAM-UHFFFAOYSA-N 1 2 327.840 4.453 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(OCOCC)cc1)c1ccc(Cl)cc1F ZINC000809699561 1048463688 /nfs/dbraw/zinc/46/36/88/1048463688.db2.gz PSMOAVAUVMXKNX-LJQANCHMSA-N 1 2 347.817 4.316 20 30 EIEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000920387143 1048663766 /nfs/dbraw/zinc/66/37/66/1048663766.db2.gz LVSBNCJMNOLWNC-WDFHVHJUSA-N 1 2 339.435 4.378 20 30 EIEDLO CCOc1ccc(/C=[NH+]/CCCCOCc2ccccc2)c(O)c1 ZINC000747615330 1048829825 /nfs/dbraw/zinc/82/98/25/1048829825.db2.gz TVBSJDFXSWXDES-RCCKNPSSSA-N 1 2 327.424 4.207 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231003 1048869666 /nfs/dbraw/zinc/86/96/66/1048869666.db2.gz ZPVBQANRMAZJMF-QRWLVFNGSA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231003 1048869668 /nfs/dbraw/zinc/86/96/68/1048869668.db2.gz ZPVBQANRMAZJMF-QRWLVFNGSA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001171230693 1048869848 /nfs/dbraw/zinc/86/98/48/1048869848.db2.gz GCAYSIJQBRTYEI-QRWLVFNGSA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001171230693 1048869849 /nfs/dbraw/zinc/86/98/49/1048869849.db2.gz GCAYSIJQBRTYEI-QRWLVFNGSA-N 1 2 340.854 4.216 20 30 EIEDLO C=CCC[C@@H](C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001132621027 1048953709 /nfs/dbraw/zinc/95/37/09/1048953709.db2.gz BVXIUSGSGCGIPX-RTWAWAEBSA-N 1 2 334.463 4.039 20 30 EIEDLO C=CCC[C@@H](C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001132621027 1048953722 /nfs/dbraw/zinc/95/37/22/1048953722.db2.gz BVXIUSGSGCGIPX-RTWAWAEBSA-N 1 2 334.463 4.039 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000846992077 1048970737 /nfs/dbraw/zinc/97/07/37/1048970737.db2.gz KCHXCEITJHLFIT-HNNXBMFYSA-N 1 2 335.411 4.322 20 30 EIEDLO C#C[C@H]([NH2+]Cc1c(C)nn(C(C)(C)C)c1C)c1ccc(Cl)cc1 ZINC000811516095 1049103251 /nfs/dbraw/zinc/10/32/51/1049103251.db2.gz FDALTDSIVYNSLD-SFHVURJKSA-N 1 2 329.875 4.372 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c(F)c1 ZINC000105642740 1049402964 /nfs/dbraw/zinc/40/29/64/1049402964.db2.gz GRUMDNRTXYRJFZ-UHFFFAOYSA-N 1 2 341.386 4.250 20 30 EIEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC001136337034 1049507452 /nfs/dbraw/zinc/50/74/52/1049507452.db2.gz QWWQGAOMOGSEFI-NRFANRHFSA-N 1 2 348.446 4.132 20 30 EIEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC001136337034 1049507466 /nfs/dbraw/zinc/50/74/66/1049507466.db2.gz QWWQGAOMOGSEFI-NRFANRHFSA-N 1 2 348.446 4.132 20 30 EIEDLO CC[C@@H]1C[C@H]([NH2+]C2(C#N)CCCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817799 1049801626 /nfs/dbraw/zinc/80/16/26/1049801626.db2.gz LDTDIILNQBHLIV-BJWYYQGGSA-N 1 2 349.519 4.369 20 30 EIEDLO C=CCC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000615962108 1049821965 /nfs/dbraw/zinc/82/19/65/1049821965.db2.gz WMHJDYSUXSMATD-GOSISDBHSA-N 1 2 337.467 4.327 20 30 EIEDLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C#N)CCCCC1)C2 ZINC001172083620 1049847100 /nfs/dbraw/zinc/84/71/00/1049847100.db2.gz QGPKJSUQDSWZQQ-BJWYYQGGSA-N 1 2 347.503 4.123 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358558 1049895668 /nfs/dbraw/zinc/89/56/68/1049895668.db2.gz QHUOFOAZFZOIPX-CYBMUJFWSA-N 1 2 332.414 4.252 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358558 1049895673 /nfs/dbraw/zinc/89/56/73/1049895673.db2.gz QHUOFOAZFZOIPX-CYBMUJFWSA-N 1 2 332.414 4.252 20 30 EIEDLO C[C@H](CCCC#N)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172493690 1049921736 /nfs/dbraw/zinc/92/17/36/1049921736.db2.gz BZQYZRJYNJQDPS-IAGOWNOFSA-N 1 2 344.503 4.049 20 30 EIEDLO C[C@H](CCCC#N)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172493690 1049921743 /nfs/dbraw/zinc/92/17/43/1049921743.db2.gz BZQYZRJYNJQDPS-IAGOWNOFSA-N 1 2 344.503 4.049 20 30 EIEDLO N#CCC[C@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccccc1 ZINC001185865742 1050181534 /nfs/dbraw/zinc/18/15/34/1050181534.db2.gz NPMREEDOEUZXCU-INIZCTEOSA-N 1 2 327.391 4.339 20 30 EIEDLO N#CC1(c2ccccc2F)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC001204234112 1050594611 /nfs/dbraw/zinc/59/46/11/1050594611.db2.gz WUJGHBBSPVPDPS-UHFFFAOYSA-N 1 2 330.353 4.161 20 30 EIEDLO CCCCCCCCS(=O)(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001188012887 1050678376 /nfs/dbraw/zinc/67/83/76/1050678376.db2.gz IEZVUOKQORJRIH-UHFFFAOYSA-N 1 2 349.500 4.034 20 30 EIEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1Cl ZINC001179845379 1050796774 /nfs/dbraw/zinc/79/67/74/1050796774.db2.gz RRXARTMGNPCQJU-FQEVSTJZSA-N 1 2 339.870 4.031 20 30 EIEDLO N#Cc1cc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000619784384 1050899864 /nfs/dbraw/zinc/89/98/64/1050899864.db2.gz FYKGFOHHLAFARW-QGZVFWFLSA-N 1 2 349.331 4.043 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000619784384 1050899869 /nfs/dbraw/zinc/89/98/69/1050899869.db2.gz FYKGFOHHLAFARW-QGZVFWFLSA-N 1 2 349.331 4.043 20 30 EIEDLO C[C@H]1CCc2nc(C[NH2+][C@@H](CCC#N)c3ccccc3)sc2C1 ZINC000153402287 1051035530 /nfs/dbraw/zinc/03/55/30/1051035530.db2.gz NLBPJTKDLPVGPS-HOCLYGCPSA-N 1 2 325.481 4.403 20 30 EIEDLO C=C(C)Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001190224150 1051132798 /nfs/dbraw/zinc/13/27/98/1051132798.db2.gz GQBNINFKRFCYGX-UHFFFAOYSA-N 1 2 331.419 4.302 20 30 EIEDLO C=CCC[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001181827686 1051322852 /nfs/dbraw/zinc/32/28/52/1051322852.db2.gz NOFLIXLKEPXBPU-CZUORRHYSA-N 1 2 343.389 4.296 20 30 EIEDLO CCCCCCCCNC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001191069660 1051339617 /nfs/dbraw/zinc/33/96/17/1051339617.db2.gz ODUUQDMJVKWVBF-UHFFFAOYSA-N 1 2 347.503 4.001 20 30 EIEDLO N#Cc1cnccc1C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001192348073 1051698452 /nfs/dbraw/zinc/69/84/52/1051698452.db2.gz HRSAZDQEOJTXFV-JOCHJYFZSA-N 1 2 325.415 4.253 20 30 EIEDLO N#Cc1cnccc1C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001192348073 1051698458 /nfs/dbraw/zinc/69/84/58/1051698458.db2.gz HRSAZDQEOJTXFV-JOCHJYFZSA-N 1 2 325.415 4.253 20 30 EIEDLO N#Cc1cc(F)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c(Cl)c1 ZINC001175716773 1051736590 /nfs/dbraw/zinc/73/65/90/1051736590.db2.gz YMGDAHWMUAODMO-UHFFFAOYSA-N 1 2 330.672 4.090 20 30 EIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000184080834 1051825302 /nfs/dbraw/zinc/82/53/02/1051825302.db2.gz TUCWZVWVLUVPTF-GFCCVEGCSA-N 1 2 347.203 4.141 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000184080816 1051825759 /nfs/dbraw/zinc/82/57/59/1051825759.db2.gz TUCWZVWVLUVPTF-LBPRGKRZSA-N 1 2 347.203 4.141 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1cncc2ccccc21)C(=O)OCC ZINC001183549271 1051862607 /nfs/dbraw/zinc/86/26/07/1051862607.db2.gz AGKAFVRHEDIWHT-OXQOHEQNSA-N 1 2 340.467 4.043 20 30 EIEDLO C#CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176453015 1052075338 /nfs/dbraw/zinc/07/53/38/1052075338.db2.gz PKCKYZGLSDNECM-HXUWFJFHSA-N 1 2 338.382 4.247 20 30 EIEDLO C#CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176453015 1052075349 /nfs/dbraw/zinc/07/53/49/1052075349.db2.gz PKCKYZGLSDNECM-HXUWFJFHSA-N 1 2 338.382 4.247 20 30 EIEDLO C#CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccccc1 ZINC001194161710 1052092565 /nfs/dbraw/zinc/09/25/65/1052092565.db2.gz CGAMQUVQUDIDIB-UHFFFAOYSA-N 1 2 344.336 4.482 20 30 EIEDLO C#CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccccc1 ZINC001194161710 1052092576 /nfs/dbraw/zinc/09/25/76/1052092576.db2.gz CGAMQUVQUDIDIB-UHFFFAOYSA-N 1 2 344.336 4.482 20 30 EIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC001176748966 1052178937 /nfs/dbraw/zinc/17/89/37/1052178937.db2.gz LRAKFARMVHIFPK-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000185123470 1052441641 /nfs/dbraw/zinc/44/16/41/1052441641.db2.gz BMEOHIXSBMKOGU-CYBMUJFWSA-N 1 2 336.258 4.018 20 30 EIEDLO Cc1cc2oc(=O)cc(C[N@@H+](CCC#N)CCC(C)C)c2cc1C ZINC000072691981 1052568391 /nfs/dbraw/zinc/56/83/91/1052568391.db2.gz DLFGMJWEBIBNMC-UHFFFAOYSA-N 1 2 326.440 4.172 20 30 EIEDLO Cc1cc2oc(=O)cc(C[N@H+](CCC#N)CCC(C)C)c2cc1C ZINC000072691981 1052568404 /nfs/dbraw/zinc/56/84/04/1052568404.db2.gz DLFGMJWEBIBNMC-UHFFFAOYSA-N 1 2 326.440 4.172 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000794562777 1053081650 /nfs/dbraw/zinc/08/16/50/1053081650.db2.gz AXWHGLHHISAREI-FCHUYYIVSA-N 1 2 346.405 4.262 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000794649689 1053247963 /nfs/dbraw/zinc/24/79/63/1053247963.db2.gz CXPWGHVRTUIVEP-INIZCTEOSA-N 1 2 342.508 4.070 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000794649689 1053247984 /nfs/dbraw/zinc/24/79/84/1053247984.db2.gz CXPWGHVRTUIVEP-INIZCTEOSA-N 1 2 342.508 4.070 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C2/CCc3ccc(Cl)cc3C2=O)s1 ZINC000794699141 1053319161 /nfs/dbraw/zinc/31/91/61/1053319161.db2.gz ANXMOWZMUYUWFE-GHXNOFRVSA-N 1 2 332.856 4.071 20 30 EIEDLO CCCCOc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794713379 1053347335 /nfs/dbraw/zinc/34/73/35/1053347335.db2.gz NDSRNTZBMWZRBI-KHPPLWFESA-N 1 2 344.480 4.280 20 30 EIEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)sc1Br ZINC000794733801 1053354301 /nfs/dbraw/zinc/35/43/01/1053354301.db2.gz SOPIWXLYSZHTJK-AATRIKPKSA-N 1 2 347.237 4.363 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764930441 1053383562 /nfs/dbraw/zinc/38/35/62/1053383562.db2.gz MPDQZBHBIPSOPX-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764930441 1053383574 /nfs/dbraw/zinc/38/35/74/1053383574.db2.gz MPDQZBHBIPSOPX-UHFFFAOYSA-N 1 2 330.501 4.121 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764961649 1053398925 /nfs/dbraw/zinc/39/89/25/1053398925.db2.gz DVLAHJPWGIHGQU-CYBMUJFWSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764961649 1053398937 /nfs/dbraw/zinc/39/89/37/1053398937.db2.gz DVLAHJPWGIHGQU-CYBMUJFWSA-N 1 2 348.903 4.220 20 30 EIEDLO CCc1ccc2c(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)oc2c1 ZINC000109812025 1053432831 /nfs/dbraw/zinc/43/28/31/1053432831.db2.gz RLXSANRNXIBAMC-UHFFFAOYSA-N 1 2 326.440 4.117 20 30 EIEDLO CCc1ccc2c(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)oc2c1 ZINC000109812025 1053432840 /nfs/dbraw/zinc/43/28/40/1053432840.db2.gz RLXSANRNXIBAMC-UHFFFAOYSA-N 1 2 326.440 4.117 20 30 EIEDLO N#Cc1cccc(C[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)c1 ZINC001195810511 1053495579 /nfs/dbraw/zinc/49/55/79/1053495579.db2.gz SMNWXUBLXHVUQQ-UHFFFAOYSA-N 1 2 346.261 4.187 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)nc(Cl)c1 ZINC000797590162 1053563305 /nfs/dbraw/zinc/56/33/05/1053563305.db2.gz MCIALHYBPGTEJC-UHFFFAOYSA-N 1 2 331.803 4.140 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)nc(Cl)c1 ZINC000797590162 1053563318 /nfs/dbraw/zinc/56/33/18/1053563318.db2.gz MCIALHYBPGTEJC-UHFFFAOYSA-N 1 2 331.803 4.140 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000853481602 1053681287 /nfs/dbraw/zinc/68/12/87/1053681287.db2.gz XCDXFXTYLAIGER-AZUAARDMSA-N 1 2 336.435 4.206 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000853481605 1053681318 /nfs/dbraw/zinc/68/13/18/1053681318.db2.gz XCDXFXTYLAIGER-QUCCMNQESA-N 1 2 336.435 4.206 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc(C(F)(F)F)cs1 ZINC000866348979 1053699597 /nfs/dbraw/zinc/69/95/97/1053699597.db2.gz FJVRUYZMKBIUFF-DTWKUNHWSA-N 1 2 341.358 4.151 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3nc[nH]c3C23CCCCC3)c1 ZINC001197752025 1053990564 /nfs/dbraw/zinc/99/05/64/1053990564.db2.gz VWZSINFFDOLTEA-UHFFFAOYSA-N 1 2 340.858 4.152 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCc3nc[nH]c3C23CCCCC3)c1 ZINC001197752025 1053990572 /nfs/dbraw/zinc/99/05/72/1053990572.db2.gz VWZSINFFDOLTEA-UHFFFAOYSA-N 1 2 340.858 4.152 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc1C1CC1 ZINC000114445162 1054091527 /nfs/dbraw/zinc/09/15/27/1054091527.db2.gz XCSJRYJZIWIRNJ-IBGZPJMESA-N 1 2 344.528 4.257 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)nc1C1CC1 ZINC000114445162 1054091541 /nfs/dbraw/zinc/09/15/41/1054091541.db2.gz XCSJRYJZIWIRNJ-IBGZPJMESA-N 1 2 344.528 4.257 20 30 EIEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)c(Br)c1 ZINC001198194234 1054102151 /nfs/dbraw/zinc/10/21/51/1054102151.db2.gz AZQOJBOCZOWOIN-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(Br)c1 ZINC001198194234 1054102156 /nfs/dbraw/zinc/10/21/56/1054102156.db2.gz AZQOJBOCZOWOIN-UHFFFAOYSA-N 1 2 335.270 4.323 20 30 EIEDLO CCCCCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000858113880 1054418214 /nfs/dbraw/zinc/41/82/14/1054418214.db2.gz ZNSDDRDYVMDWDZ-KRWDZBQOSA-N 1 2 346.519 4.079 20 30 EIEDLO COc1ccc(C#N)cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001201575773 1054854849 /nfs/dbraw/zinc/85/48/49/1054854849.db2.gz WYIFBFQVEKAXQP-UHFFFAOYSA-N 1 2 340.383 4.052 20 30 EIEDLO CCCCCCCCCCS(=O)(=O)NCc1c[nH+]cn1C(C)C ZINC001201837231 1054929011 /nfs/dbraw/zinc/92/90/11/1054929011.db2.gz RGEIEOKVJAMAAT-UHFFFAOYSA-N 1 2 343.537 4.024 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)nc1Cl ZINC000862379105 1055057730 /nfs/dbraw/zinc/05/77/30/1055057730.db2.gz HHLZLKMAXLWTLU-QMMMGPOBSA-N 1 2 329.709 4.069 20 30 EIEDLO CN(C)c1ccc(C=[NH+]Nc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000794495435 1055154850 /nfs/dbraw/zinc/15/48/50/1055154850.db2.gz AIVJMTNRGQMQIL-UHFFFAOYSA-N 1 2 325.309 4.357 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000022758260 1055333368 /nfs/dbraw/zinc/33/33/68/1055333368.db2.gz QCQPDZDZNJWFMS-QGZVFWFLSA-N 1 2 340.496 4.054 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000022758260 1055333383 /nfs/dbraw/zinc/33/33/83/1055333383.db2.gz QCQPDZDZNJWFMS-QGZVFWFLSA-N 1 2 340.496 4.054 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878687746 1055373904 /nfs/dbraw/zinc/37/39/04/1055373904.db2.gz SRMMUOOPKCHRRH-RBUKOAKNSA-N 1 2 337.467 4.256 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@]3(C#N)CC4CCC3CC4)cc2)[nH+]c1C ZINC000921667181 1055520836 /nfs/dbraw/zinc/52/08/36/1055520836.db2.gz DAKRBCBIFHJKNZ-GRXDXKALSA-N 1 2 348.450 4.352 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(C#N)c3)n2)cc1 ZINC000273295636 1055630370 /nfs/dbraw/zinc/63/03/70/1055630370.db2.gz JMICLOZXDBQYJO-AWEZNQCLSA-N 1 2 332.407 4.021 20 30 EIEDLO Cc1cccn2c(/C=C3/COc4c(C)cc(Cl)cc4C3=O)c[nH+]c12 ZINC000741467465 1058227104 /nfs/dbraw/zinc/22/71/04/1058227104.db2.gz OIRWRPXHKZOCBK-QPEQYQDCSA-N 1 2 338.794 4.263 20 30 EIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1F ZINC000741847391 1058394488 /nfs/dbraw/zinc/39/44/88/1058394488.db2.gz OCEJJAVNVHLYRJ-VOTSOKGWSA-N 1 2 326.396 4.400 20 30 EIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1F ZINC000741847389 1058395674 /nfs/dbraw/zinc/39/56/74/1058395674.db2.gz OCEJJAVNVHLYRJ-SREVYHEPSA-N 1 2 326.396 4.400 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000742170775 1058531484 /nfs/dbraw/zinc/53/14/84/1058531484.db2.gz BCLQKRPUHRBTBR-UHFFFAOYSA-N 1 2 344.528 4.084 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c1=S ZINC000742170775 1058531504 /nfs/dbraw/zinc/53/15/04/1058531504.db2.gz BCLQKRPUHRBTBR-UHFFFAOYSA-N 1 2 344.528 4.084 20 30 EIEDLO CCCCCCCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000742858451 1058806080 /nfs/dbraw/zinc/80/60/80/1058806080.db2.gz LIZNDSZPZFMHFD-GOSISDBHSA-N 1 2 327.472 4.181 20 30 EIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000744405912 1059468516 /nfs/dbraw/zinc/46/85/16/1059468516.db2.gz YCYAXACYSJLAJE-UHFFFAOYSA-N 1 2 338.451 4.043 20 30 EIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000744405912 1059468537 /nfs/dbraw/zinc/46/85/37/1059468537.db2.gz YCYAXACYSJLAJE-UHFFFAOYSA-N 1 2 338.451 4.043 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291892 1060748597 /nfs/dbraw/zinc/74/85/97/1060748597.db2.gz CETQKMJZFDYVJX-AFMYVXGZSA-N 1 2 328.456 4.073 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCCc3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC001169347795 1060767854 /nfs/dbraw/zinc/76/78/54/1060767854.db2.gz JCZNBVXMDKLDMN-UHFFFAOYSA-N 1 2 347.340 4.190 20 30 EIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@H](C#N)C2CCCCC2)c(C)c1 ZINC000532736749 1032288078 /nfs/dbraw/zinc/28/80/78/1032288078.db2.gz DQWPOJYLRSWOIG-NHCUHLMSSA-N 1 2 336.483 4.303 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000533140324 1032510867 /nfs/dbraw/zinc/51/08/67/1032510867.db2.gz SQFCGNIQCIUNCY-INIZCTEOSA-N 1 2 330.435 4.125 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000533140324 1032510872 /nfs/dbraw/zinc/51/08/72/1032510872.db2.gz SQFCGNIQCIUNCY-INIZCTEOSA-N 1 2 330.435 4.125 20 30 EIEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000579700646 1018796557 /nfs/dbraw/zinc/79/65/57/1018796557.db2.gz TYMLTURNPQGWGZ-MNEFBYGVSA-N 1 2 344.418 4.108 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000006976644 1020548834 /nfs/dbraw/zinc/54/88/34/1020548834.db2.gz PBZCKNHJNLIKRV-UHFFFAOYSA-N 1 2 344.455 4.174 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000006976644 1020548860 /nfs/dbraw/zinc/54/88/60/1020548860.db2.gz PBZCKNHJNLIKRV-UHFFFAOYSA-N 1 2 344.455 4.174 20 30 EIEDLO C=C1CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001167329950 1021158983 /nfs/dbraw/zinc/15/89/83/1021158983.db2.gz PSPJYRCVBBXMKL-SFHVURJKSA-N 1 2 332.463 4.071 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000180029575 1021378641 /nfs/dbraw/zinc/37/86/41/1021378641.db2.gz GQFSESSWIUHCSM-UHFFFAOYSA-N 1 2 328.419 4.113 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000180029575 1021378664 /nfs/dbraw/zinc/37/86/64/1021378664.db2.gz GQFSESSWIUHCSM-UHFFFAOYSA-N 1 2 328.419 4.113 20 30 EIEDLO Cc1cn2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)ccc2[nH+]1 ZINC000432864911 1032986258 /nfs/dbraw/zinc/98/62/58/1032986258.db2.gz IZAQCULNSQWHQJ-GOSISDBHSA-N 1 2 347.422 4.199 20 30 EIEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000050231605 1022025321 /nfs/dbraw/zinc/02/53/21/1022025321.db2.gz VMDISMOIZUCCFI-IBGZPJMESA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000050231605 1022025336 /nfs/dbraw/zinc/02/53/36/1022025336.db2.gz VMDISMOIZUCCFI-IBGZPJMESA-N 1 2 342.389 4.018 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(F)c(F)c1 ZINC000187782196 1022938908 /nfs/dbraw/zinc/93/89/08/1022938908.db2.gz ZZWHMOZLHIDLFS-IBGZPJMESA-N 1 2 327.378 4.328 20 30 EIEDLO C=CC[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000584727598 1023244894 /nfs/dbraw/zinc/24/48/94/1023244894.db2.gz NYXGUTBVWRQMHK-UFYCRDLUSA-N 1 2 349.478 4.281 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376817732 1023318966 /nfs/dbraw/zinc/31/89/66/1023318966.db2.gz FDOCHCVIZHSGNT-UONOGXRCSA-N 1 2 334.448 4.489 20 30 EIEDLO C[C@@H]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328601075 1023602115 /nfs/dbraw/zinc/60/21/15/1023602115.db2.gz DXOXKBWCEMJTFA-ZBFHGGJFSA-N 1 2 336.439 4.116 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000377706231 1023700109 /nfs/dbraw/zinc/70/01/09/1023700109.db2.gz YNZBMGKCTSUYEA-CQSZACIVSA-N 1 2 335.382 4.016 20 30 EIEDLO N#CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCC1 ZINC000156601532 1023782381 /nfs/dbraw/zinc/78/23/81/1023782381.db2.gz SYHUTQRZKGVYSL-UHFFFAOYSA-N 1 2 347.462 4.450 20 30 EIEDLO N#CC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCC1 ZINC000156601532 1023782385 /nfs/dbraw/zinc/78/23/85/1023782385.db2.gz SYHUTQRZKGVYSL-UHFFFAOYSA-N 1 2 347.462 4.450 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(Br)cs1 ZINC000195341124 1023817515 /nfs/dbraw/zinc/81/75/15/1023817515.db2.gz XRPKSFQFBKRSDE-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1Cl ZINC000660539324 1023898291 /nfs/dbraw/zinc/89/82/91/1023898291.db2.gz UEDBZJIRBOITLI-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC)c1Cl ZINC000660539324 1023898293 /nfs/dbraw/zinc/89/82/93/1023898293.db2.gz UEDBZJIRBOITLI-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)COCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756761867 1024466869 /nfs/dbraw/zinc/46/68/69/1024466869.db2.gz UUQUEIXVSFYBHP-SNVBAGLBSA-N 1 2 348.668 4.051 20 30 EIEDLO COc1sc(C[N@H+](CCC#N)CC(C)(C)C)cc1Br ZINC000093101134 1024821159 /nfs/dbraw/zinc/82/11/59/1024821159.db2.gz SGBSWUWWWLEVJU-UHFFFAOYSA-N 1 2 345.306 4.281 20 30 EIEDLO COc1sc(C[N@@H+](CCC#N)CC(C)(C)C)cc1Br ZINC000093101134 1024821162 /nfs/dbraw/zinc/82/11/62/1024821162.db2.gz SGBSWUWWWLEVJU-UHFFFAOYSA-N 1 2 345.306 4.281 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)ccn1 ZINC000610991498 1025217605 /nfs/dbraw/zinc/21/76/05/1025217605.db2.gz LWPJBRSUCRPGIE-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)ccn1 ZINC000610991498 1025217622 /nfs/dbraw/zinc/21/76/22/1025217622.db2.gz LWPJBRSUCRPGIE-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1nnc(CC)o1)c1ccc(C(F)(F)F)cc1 ZINC000342227490 1025501791 /nfs/dbraw/zinc/50/17/91/1025501791.db2.gz RIPGETVUZZHBOB-AWEZNQCLSA-N 1 2 339.361 4.448 20 30 EIEDLO C=CCN(Cc1ccccc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342342179 1025899392 /nfs/dbraw/zinc/89/93/92/1025899392.db2.gz RESZUQRYIFZZPQ-HXUWFJFHSA-N 1 2 345.446 4.147 20 30 EIEDLO FC(F)(F)Oc1cc(Cl)ccc1C[NH+]1CCC(S)CC1 ZINC001143432698 1025906339 /nfs/dbraw/zinc/90/63/39/1025906339.db2.gz HFYGGETURMOKMM-UHFFFAOYSA-N 1 2 325.783 4.133 20 30 EIEDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Br ZINC000582038741 1026007073 /nfs/dbraw/zinc/00/70/73/1026007073.db2.gz AEJVFFSHBULRBD-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Br ZINC000582038741 1026007093 /nfs/dbraw/zinc/00/70/93/1026007093.db2.gz AEJVFFSHBULRBD-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO COc1ccc[nH+]c1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000551888430 1026288346 /nfs/dbraw/zinc/28/83/46/1026288346.db2.gz JXOZLTNJRWKFRL-UHFFFAOYSA-N 1 2 345.402 4.153 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000127750628 1026708775 /nfs/dbraw/zinc/70/87/75/1026708775.db2.gz RWCCYGAUMGTYAI-UHFFFAOYSA-N 1 2 346.356 4.053 20 30 EIEDLO N#Cc1c(F)cccc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000427530402 1026883173 /nfs/dbraw/zinc/88/31/73/1026883173.db2.gz IKGUWCGSQNQPNW-UHFFFAOYSA-N 1 2 347.393 4.476 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1cccc(C#N)c1 ZINC000046517936 1026892933 /nfs/dbraw/zinc/89/29/33/1026892933.db2.gz WJMJBHSAKPUVDD-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1cccc(C#N)c1 ZINC000046517936 1026892938 /nfs/dbraw/zinc/89/29/38/1026892938.db2.gz WJMJBHSAKPUVDD-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCCO1 ZINC000329433827 1027781682 /nfs/dbraw/zinc/78/16/82/1027781682.db2.gz IIMSYTQTFLLJPQ-QGZVFWFLSA-N 1 2 325.412 4.044 20 30 EIEDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000328845118 1027819034 /nfs/dbraw/zinc/81/90/34/1027819034.db2.gz RLQNRMWJDVQHIY-UHFFFAOYSA-N 1 2 331.460 4.053 20 30 EIEDLO C=C(C)C[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011217 1027898470 /nfs/dbraw/zinc/89/84/70/1027898470.db2.gz PAMJCVRBVYDGNW-NUJGCVRESA-N 1 2 341.455 4.101 20 30 EIEDLO C=C(C)C[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011217 1027898476 /nfs/dbraw/zinc/89/84/76/1027898476.db2.gz PAMJCVRBVYDGNW-NUJGCVRESA-N 1 2 341.455 4.101 20 30 EIEDLO C=CC[C@H]1N(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCC1(C)C ZINC000444893771 1028178066 /nfs/dbraw/zinc/17/80/66/1028178066.db2.gz HPEMCXSKQIIYDM-MRXNPFEDSA-N 1 2 326.444 4.241 20 30 EIEDLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447539620 1030145681 /nfs/dbraw/zinc/14/56/81/1030145681.db2.gz HINQZUFJYWRNSE-UXHICEINSA-N 1 2 348.425 4.261 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OCC2CC2)cc1 ZINC000191570609 1030641811 /nfs/dbraw/zinc/64/18/11/1030641811.db2.gz LCFAJLXHFXUNFP-UHFFFAOYSA-N 1 2 337.423 4.165 20 30 EIEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000532537073 1031254840 /nfs/dbraw/zinc/25/48/40/1031254840.db2.gz SMCHPTHLLNTKCE-KRWDZBQOSA-N 1 2 343.377 4.200 20 30 EIEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000532537073 1031254855 /nfs/dbraw/zinc/25/48/55/1031254855.db2.gz SMCHPTHLLNTKCE-KRWDZBQOSA-N 1 2 343.377 4.200 20 30 EIEDLO COc1cc(F)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000449032414 1031365310 /nfs/dbraw/zinc/36/53/10/1031365310.db2.gz YJYWMKUOFBHIPQ-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO COc1cc(F)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000449032414 1031365321 /nfs/dbraw/zinc/36/53/21/1031365321.db2.gz YJYWMKUOFBHIPQ-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO COc1ccc2[nH]cc(C(=O)/C=C\c3c[nH+]c4ccc(C)cn34)c2c1 ZINC000255867408 1031567991 /nfs/dbraw/zinc/56/79/91/1031567991.db2.gz NSXPYFLEQSVROV-DAXSKMNVSA-N 1 2 331.375 4.029 20 30 EIEDLO N#Cc1c(F)ccc(C[NH2+]Cc2ncoc2-c2ccccc2)c1Cl ZINC000365431184 1031670058 /nfs/dbraw/zinc/67/00/58/1031670058.db2.gz ZVFPQDNUOFPJBP-UHFFFAOYSA-N 1 2 341.773 4.296 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000614166777 1033550441 /nfs/dbraw/zinc/55/04/41/1033550441.db2.gz OLMUECGRTNNQQP-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000614166777 1033550451 /nfs/dbraw/zinc/55/04/51/1033550451.db2.gz OLMUECGRTNNQQP-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613605 1035748451 /nfs/dbraw/zinc/74/84/51/1035748451.db2.gz FROUILHRDDKONE-DZGCQCFKSA-N 1 2 344.846 4.000 20 30 EIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613605 1035748471 /nfs/dbraw/zinc/74/84/71/1035748471.db2.gz FROUILHRDDKONE-DZGCQCFKSA-N 1 2 344.846 4.000 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595608986 1035748939 /nfs/dbraw/zinc/74/89/39/1035748939.db2.gz DLFSKJOYEQQXRM-OAHLLOKOSA-N 1 2 341.480 4.334 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595608986 1035748964 /nfs/dbraw/zinc/74/89/64/1035748964.db2.gz DLFSKJOYEQQXRM-OAHLLOKOSA-N 1 2 341.480 4.334 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889135 1035803092 /nfs/dbraw/zinc/80/30/92/1035803092.db2.gz HMSDTPVZAAZVRP-DZGCQCFKSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889135 1035803096 /nfs/dbraw/zinc/80/30/96/1035803096.db2.gz HMSDTPVZAAZVRP-DZGCQCFKSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889539 1035803298 /nfs/dbraw/zinc/80/32/98/1035803298.db2.gz JFKRUDKWQNRBMB-BBRMVZONSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889539 1035803299 /nfs/dbraw/zinc/80/32/99/1035803299.db2.gz JFKRUDKWQNRBMB-BBRMVZONSA-N 1 2 340.389 4.029 20 30 EIEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000596326658 1035852532 /nfs/dbraw/zinc/85/25/32/1035852532.db2.gz YHKCTIPMSHESQW-LBPRGKRZSA-N 1 2 330.229 4.127 20 30 EIEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OCc1ccccc1 ZINC000597192844 1036138435 /nfs/dbraw/zinc/13/84/35/1036138435.db2.gz OPYLHKHKIGHTQK-UHFFFAOYSA-N 1 2 336.435 4.010 20 30 EIEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522527 1036291090 /nfs/dbraw/zinc/29/10/90/1036291090.db2.gz LBYHKDMUYJCZFC-AWEZNQCLSA-N 1 2 336.439 4.089 20 30 EIEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522527 1036291121 /nfs/dbraw/zinc/29/11/21/1036291121.db2.gz LBYHKDMUYJCZFC-AWEZNQCLSA-N 1 2 336.439 4.089 20 30 EIEDLO CC(C)C[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000602162569 1036346342 /nfs/dbraw/zinc/34/63/42/1036346342.db2.gz YMNGURUZZAUEQC-OALUTQOASA-N 1 2 338.455 4.022 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458520 1036457001 /nfs/dbraw/zinc/45/70/01/1036457001.db2.gz NCEVEZWOWCWODC-MLGOLLRUSA-N 1 2 327.255 4.307 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458520 1036457006 /nfs/dbraw/zinc/45/70/06/1036457006.db2.gz NCEVEZWOWCWODC-MLGOLLRUSA-N 1 2 327.255 4.307 20 30 EIEDLO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000598679343 1036742561 /nfs/dbraw/zinc/74/25/61/1036742561.db2.gz GZQVUBBTBAUNPA-BPNCWPANSA-N 1 2 343.215 4.427 20 30 EIEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000272563910 1037228117 /nfs/dbraw/zinc/22/81/17/1037228117.db2.gz MDIYWUJBHZQUQL-UHFFFAOYSA-N 1 2 329.831 4.429 20 30 EIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272599362 1037235802 /nfs/dbraw/zinc/23/58/02/1037235802.db2.gz QSCPXJDEOJGVLM-CVEARBPZSA-N 1 2 327.472 4.153 20 30 EIEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000591373850 1037396860 /nfs/dbraw/zinc/39/68/60/1037396860.db2.gz DVOZDFICGGHAES-OAHLLOKOSA-N 1 2 334.891 4.290 20 30 EIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000591373850 1037396873 /nfs/dbraw/zinc/39/68/73/1037396873.db2.gz DVOZDFICGGHAES-OAHLLOKOSA-N 1 2 334.891 4.290 20 30 EIEDLO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001232471223 1037471228 /nfs/dbraw/zinc/47/12/28/1037471228.db2.gz OBSBIPMEEPHGGU-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(Br)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001232471223 1037471238 /nfs/dbraw/zinc/47/12/38/1037471238.db2.gz OBSBIPMEEPHGGU-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000591662374 1037531336 /nfs/dbraw/zinc/53/13/36/1037531336.db2.gz QXLJGEYYNXOPEU-ZDUSSCGKSA-N 1 2 325.362 4.282 20 30 EIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000591662374 1037531361 /nfs/dbraw/zinc/53/13/61/1037531361.db2.gz QXLJGEYYNXOPEU-ZDUSSCGKSA-N 1 2 325.362 4.282 20 30 EIEDLO N#Cc1cnccc1C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000592127178 1037734863 /nfs/dbraw/zinc/73/48/63/1037734863.db2.gz UZESJBOPHUOMGW-UHFFFAOYSA-N 1 2 343.833 4.153 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000489473344 1038066125 /nfs/dbraw/zinc/06/61/25/1038066125.db2.gz DQCZUZXGUNXAAM-GFCCVEGCSA-N 1 2 346.780 4.338 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000489473344 1038066147 /nfs/dbraw/zinc/06/61/47/1038066147.db2.gz DQCZUZXGUNXAAM-GFCCVEGCSA-N 1 2 346.780 4.338 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000489473348 1038067724 /nfs/dbraw/zinc/06/77/24/1038067724.db2.gz DQCZUZXGUNXAAM-LBPRGKRZSA-N 1 2 346.780 4.338 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000489473348 1038067749 /nfs/dbraw/zinc/06/77/49/1038067749.db2.gz DQCZUZXGUNXAAM-LBPRGKRZSA-N 1 2 346.780 4.338 20 30 EIEDLO C=CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1cccc(C#N)c1 ZINC000063300770 1038191732 /nfs/dbraw/zinc/19/17/32/1038191732.db2.gz UMNXWBWOPIELNT-UHFFFAOYSA-N 1 2 343.430 4.219 20 30 EIEDLO C=CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1cccc(C#N)c1 ZINC000063300770 1038191738 /nfs/dbraw/zinc/19/17/38/1038191738.db2.gz UMNXWBWOPIELNT-UHFFFAOYSA-N 1 2 343.430 4.219 20 30 EIEDLO Cc1ccccc1-c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594033242 1038231905 /nfs/dbraw/zinc/23/19/05/1038231905.db2.gz YCOATEDZWUVDKC-UHFFFAOYSA-N 1 2 344.418 4.086 20 30 EIEDLO Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)o2)cc1 ZINC000594032948 1038242760 /nfs/dbraw/zinc/24/27/60/1038242760.db2.gz SIPPQLRCJPKQRU-UHFFFAOYSA-N 1 2 344.418 4.086 20 30 EIEDLO C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccc(C#N)cc1 ZINC000046528749 1038290283 /nfs/dbraw/zinc/29/02/83/1038290283.db2.gz FPNKMJYZTYBZEY-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccc(C#N)cc1 ZINC000046528749 1038290296 /nfs/dbraw/zinc/29/02/96/1038290296.db2.gz FPNKMJYZTYBZEY-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO CCCc1c(NCc2c[nH+]cn2C(C)C)cnn1-c1cccc(C#N)c1 ZINC000424171114 1038716101 /nfs/dbraw/zinc/71/61/01/1038716101.db2.gz BVUQTKZGAKBITO-UHFFFAOYSA-N 1 2 348.454 4.086 20 30 EIEDLO C=CCC[N@@H+](Cc1nc(Br)cs1)Cc1ccccc1 ZINC001137780085 1038898960 /nfs/dbraw/zinc/89/89/60/1038898960.db2.gz VPRXKYRWTQXYOS-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO C=CCC[N@H+](Cc1nc(Br)cs1)Cc1ccccc1 ZINC001137780085 1038898965 /nfs/dbraw/zinc/89/89/65/1038898965.db2.gz VPRXKYRWTQXYOS-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO CSc1cc(Br)ccc1C[N@H+](CCC#N)C(C)C ZINC000535077095 1039950017 /nfs/dbraw/zinc/95/00/17/1039950017.db2.gz FTIIXHXFHCTOTD-UHFFFAOYSA-N 1 2 327.291 4.295 20 30 EIEDLO CSc1cc(Br)ccc1C[N@@H+](CCC#N)C(C)C ZINC000535077095 1039950036 /nfs/dbraw/zinc/95/00/36/1039950036.db2.gz FTIIXHXFHCTOTD-UHFFFAOYSA-N 1 2 327.291 4.295 20 30 EIEDLO COc1c(Br)cccc1C[N@H+](CCC#N)CCC(C)C ZINC000481996001 1039957117 /nfs/dbraw/zinc/95/71/17/1039957117.db2.gz ZCSZXTSHNLHXDB-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO COc1c(Br)cccc1C[N@@H+](CCC#N)CCC(C)C ZINC000481996001 1039957133 /nfs/dbraw/zinc/95/71/33/1039957133.db2.gz ZCSZXTSHNLHXDB-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2o1 ZINC000153868163 1040245389 /nfs/dbraw/zinc/24/53/89/1040245389.db2.gz GNYKJEDARCNYHS-UHFFFAOYSA-N 1 2 344.336 4.330 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2o1 ZINC000153868163 1040245404 /nfs/dbraw/zinc/24/54/04/1040245404.db2.gz GNYKJEDARCNYHS-UHFFFAOYSA-N 1 2 344.336 4.330 20 30 EIEDLO C=CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000435281518 1040246744 /nfs/dbraw/zinc/24/67/44/1040246744.db2.gz QAHJBIFUELMSMN-FQEVSTJZSA-N 1 2 331.419 4.310 20 30 EIEDLO N#CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000346745245 1040273827 /nfs/dbraw/zinc/27/38/27/1040273827.db2.gz FGWMFIISAKONPR-UHFFFAOYSA-N 1 2 348.233 4.249 20 30 EIEDLO N#Cc1cc(Cl)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000514884275 1040322877 /nfs/dbraw/zinc/32/28/77/1040322877.db2.gz JFKJHZXTPILJDQ-UHFFFAOYSA-N 1 2 328.847 4.105 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4ccccc4F)o3)CC2)c1 ZINC000551712500 1040527493 /nfs/dbraw/zinc/52/74/93/1040527493.db2.gz GJFQUAPAQFMUMM-UHFFFAOYSA-N 1 2 333.366 4.131 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)[C@H](C)CO2)c1 ZINC000483948895 1041077231 /nfs/dbraw/zinc/07/72/31/1041077231.db2.gz BSTBWTKNBDXQKV-IIBYNOLFSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)[C@H](C)CO2)c1 ZINC000483948895 1041077246 /nfs/dbraw/zinc/07/72/46/1041077246.db2.gz BSTBWTKNBDXQKV-IIBYNOLFSA-N 1 2 338.426 4.276 20 30 EIEDLO C=C(CC)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000540216857 1041279628 /nfs/dbraw/zinc/27/96/28/1041279628.db2.gz JVDCZRGPYQJYFT-ZDUSSCGKSA-N 1 2 334.464 4.087 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000480573354 1041403840 /nfs/dbraw/zinc/40/38/40/1041403840.db2.gz BVQVJUHWENOYGB-UHFFFAOYSA-N 1 2 332.875 4.383 20 30 EIEDLO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1F ZINC000480685574 1041471645 /nfs/dbraw/zinc/47/16/45/1041471645.db2.gz AJCUOZHUPGPJPS-LLVKDONJSA-N 1 2 342.805 4.088 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)nc1 ZINC000517212397 1041898792 /nfs/dbraw/zinc/89/87/92/1041898792.db2.gz MSOUOBGZGMZFOW-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nc1 ZINC000517212397 1041898795 /nfs/dbraw/zinc/89/87/95/1041898795.db2.gz MSOUOBGZGMZFOW-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO CC(C)COC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000541627359 1042045031 /nfs/dbraw/zinc/04/50/31/1042045031.db2.gz VPSMNKOCMWVYES-GOSISDBHSA-N 1 2 331.843 4.288 20 30 EIEDLO CC(C)CCc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000271839778 1042434379 /nfs/dbraw/zinc/43/43/79/1042434379.db2.gz VTTUXQCASHMIKM-UHFFFAOYSA-N 1 2 325.481 4.382 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000506465348 1042466122 /nfs/dbraw/zinc/46/61/22/1042466122.db2.gz IINWRDHMQCZDHS-UHFFFAOYSA-N 1 2 333.229 4.445 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000506465348 1042466126 /nfs/dbraw/zinc/46/61/26/1042466126.db2.gz IINWRDHMQCZDHS-UHFFFAOYSA-N 1 2 333.229 4.445 20 30 EIEDLO CCCn1c2ccccc2nc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506539059 1042577304 /nfs/dbraw/zinc/57/73/04/1042577304.db2.gz IIQOXWKMXVJKQC-UHFFFAOYSA-N 1 2 344.462 4.483 20 30 EIEDLO CCCn1c2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506539059 1042577313 /nfs/dbraw/zinc/57/73/13/1042577313.db2.gz IIQOXWKMXVJKQC-UHFFFAOYSA-N 1 2 344.462 4.483 20 30 EIEDLO CC(C)COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439437896 1042623772 /nfs/dbraw/zinc/62/37/72/1042623772.db2.gz KYDBKNNEIMFBRK-QGZVFWFLSA-N 1 2 332.831 4.308 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c(Cl)c1 ZINC000439453584 1042637852 /nfs/dbraw/zinc/63/78/52/1042637852.db2.gz LISDHCJFMXTWJR-HXUWFJFHSA-N 1 2 333.822 4.486 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461635 1042648094 /nfs/dbraw/zinc/64/80/94/1042648094.db2.gz LOBPSBNTYRECPH-ICSRJNTNSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461635 1042648104 /nfs/dbraw/zinc/64/81/04/1042648104.db2.gz LOBPSBNTYRECPH-ICSRJNTNSA-N 1 2 335.838 4.483 20 30 EIEDLO CC(C)[N@H+](Cc1ccco1)Cc1cc(C#N)ccc1Br ZINC000492606720 1042707400 /nfs/dbraw/zinc/70/74/00/1042707400.db2.gz LMCFMADIASSNHT-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc(C#N)ccc1Br ZINC000492606720 1042707406 /nfs/dbraw/zinc/70/74/06/1042707406.db2.gz LMCFMADIASSNHT-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1 ZINC000438623144 1042989683 /nfs/dbraw/zinc/98/96/83/1042989683.db2.gz CQBLPCIJSSOROL-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2cc(Br)c(Cl)s2)c1 ZINC000520684890 1043003502 /nfs/dbraw/zinc/00/35/02/1043003502.db2.gz MNQWGXCSBSUHLJ-UHFFFAOYSA-N 1 2 342.649 4.237 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](CC)CCC)c1=S ZINC000727821728 1043314813 /nfs/dbraw/zinc/31/48/13/1043314813.db2.gz PFWVNZIXTRASAF-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](CC)CCC)c1=S ZINC000727821728 1043314822 /nfs/dbraw/zinc/31/48/22/1043314822.db2.gz PFWVNZIXTRASAF-UHFFFAOYSA-N 1 2 330.501 4.265 20 30 EIEDLO Fc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674464251 1043695239 /nfs/dbraw/zinc/69/52/39/1043695239.db2.gz YHROPHZUTLJMHI-RKDXNWHRSA-N 1 2 333.222 4.137 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(C#N)cc1 ZINC000174332807 1044261732 /nfs/dbraw/zinc/26/17/32/1044261732.db2.gz CYVVGAXVLPSQKU-OLZOCXBDSA-N 1 2 336.370 4.159 20 30 EIEDLO CCCCCCCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000734144055 1044503132 /nfs/dbraw/zinc/50/31/32/1044503132.db2.gz NWQFUUUVLUPNMX-IBGZPJMESA-N 1 2 345.531 4.428 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000118397573 1044666874 /nfs/dbraw/zinc/66/68/74/1044666874.db2.gz WLFUJFVERQUSMC-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000118397573 1044666885 /nfs/dbraw/zinc/66/68/85/1044666885.db2.gz WLFUJFVERQUSMC-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000092755886 1044797039 /nfs/dbraw/zinc/79/70/39/1044797039.db2.gz YKQQPDLEAFDODK-GOSISDBHSA-N 1 2 336.464 4.326 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092755886 1044797057 /nfs/dbraw/zinc/79/70/57/1044797057.db2.gz YKQQPDLEAFDODK-GOSISDBHSA-N 1 2 336.464 4.326 20 30 EIEDLO Cc1cc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)ccc1C#N ZINC001211884702 1044815610 /nfs/dbraw/zinc/81/56/10/1044815610.db2.gz HHJDEBWEWQZCND-RBUKOAKNSA-N 1 2 344.418 4.473 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000735490345 1044826619 /nfs/dbraw/zinc/82/66/19/1044826619.db2.gz HEPFUYATVDHSCD-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000735490345 1044826621 /nfs/dbraw/zinc/82/66/21/1044826621.db2.gz HEPFUYATVDHSCD-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO N#Cc1csc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000347754207 1044996830 /nfs/dbraw/zinc/99/68/30/1044996830.db2.gz QRBPIRUPNCPWHM-LJQANCHMSA-N 1 2 347.443 4.089 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738091056 1045034107 /nfs/dbraw/zinc/03/41/07/1045034107.db2.gz SOISAOJVVVNWAC-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738091056 1045034120 /nfs/dbraw/zinc/03/41/20/1045034120.db2.gz SOISAOJVVVNWAC-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO CCCCCCCCCN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762399051 1045216399 /nfs/dbraw/zinc/21/63/99/1045216399.db2.gz QASOOPINQSMUGN-UHFFFAOYSA-N 1 2 330.476 4.226 20 30 EIEDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611390547 1045302243 /nfs/dbraw/zinc/30/22/43/1045302243.db2.gz GWUCDKUJVIVNDO-NHCUHLMSSA-N 1 2 342.446 4.048 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(Br)c1 ZINC000611500626 1045318626 /nfs/dbraw/zinc/31/86/26/1045318626.db2.gz DVIVSIXVJXZIKB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(Br)c1 ZINC000611500626 1045318636 /nfs/dbraw/zinc/31/86/36/1045318636.db2.gz DVIVSIXVJXZIKB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO CCSc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459388548 1045802905 /nfs/dbraw/zinc/80/29/05/1045802905.db2.gz FXMPKYXZMBFTDZ-ZDUSSCGKSA-N 1 2 341.436 4.429 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769609453 1046032334 /nfs/dbraw/zinc/03/23/34/1046032334.db2.gz JTVHOPIIJBTYRQ-CSKARUKUSA-N 1 2 329.186 4.464 20 30 EIEDLO O=C1c2cccc(Cl)c2SC/C1=C\c1cccc2[nH+]ccn21 ZINC000769611031 1046034061 /nfs/dbraw/zinc/03/40/61/1046034061.db2.gz UZJOQCAFCKKHMY-PKNBQFBNSA-N 1 2 326.808 4.360 20 30 EIEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396788 1046127151 /nfs/dbraw/zinc/12/71/51/1046127151.db2.gz GDHVQAXSTXBBTC-QGZVFWFLSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396788 1046127153 /nfs/dbraw/zinc/12/71/53/1046127153.db2.gz GDHVQAXSTXBBTC-QGZVFWFLSA-N 1 2 335.234 4.030 20 30 EIEDLO Cc1cc([C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000459391747 1046216382 /nfs/dbraw/zinc/21/63/82/1046216382.db2.gz CYYLNXFCWJTLRD-IBGZPJMESA-N 1 2 339.370 4.155 20 30 EIEDLO COc1ccc2cc(C(=O)/C=C\c3cccc4[nH+]ccn43)ccc2c1 ZINC000771281236 1046357654 /nfs/dbraw/zinc/35/76/54/1046357654.db2.gz LLQMKNMPWVVGOT-NTMALXAHSA-N 1 2 328.371 4.392 20 30 EIEDLO C=CCC(CC=C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000125981607 1046402518 /nfs/dbraw/zinc/40/25/18/1046402518.db2.gz IMDBETVIKMMVEL-CQSZACIVSA-N 1 2 333.501 4.082 20 30 EIEDLO C=CCC(CC=C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000125981607 1046402553 /nfs/dbraw/zinc/40/25/53/1046402553.db2.gz IMDBETVIKMMVEL-CQSZACIVSA-N 1 2 333.501 4.082 20 30 EIEDLO N#CC1(c2cc[nH+]c(NC[C@H](O)c3c(Cl)cccc3Cl)c2)CC1 ZINC001170032824 1046494288 /nfs/dbraw/zinc/49/42/88/1046494288.db2.gz VRMWJTFCQKVVCP-AWEZNQCLSA-N 1 2 348.233 4.089 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000459465086 1046705144 /nfs/dbraw/zinc/70/51/44/1046705144.db2.gz IORWQIXGJOWJLY-GOSISDBHSA-N 1 2 341.798 4.361 20 30 EIEDLO NC(=[NH+]OCc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1 ZINC000917394389 1046861545 /nfs/dbraw/zinc/86/15/45/1046861545.db2.gz OGAHTWMWRXCPFP-UHFFFAOYSA-N 1 2 346.217 4.379 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000537202849 1047038156 /nfs/dbraw/zinc/03/81/56/1047038156.db2.gz BAYQJDKTWJYIIP-JTQLQIEISA-N 1 2 327.653 4.227 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000537202849 1047038172 /nfs/dbraw/zinc/03/81/72/1047038172.db2.gz BAYQJDKTWJYIIP-JTQLQIEISA-N 1 2 327.653 4.227 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068607889 1047093296 /nfs/dbraw/zinc/09/32/96/1047093296.db2.gz QBJWNYUWJKDJLK-QGZVFWFLSA-N 1 2 330.435 4.273 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068607889 1047093312 /nfs/dbraw/zinc/09/33/12/1047093312.db2.gz QBJWNYUWJKDJLK-QGZVFWFLSA-N 1 2 330.435 4.273 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCc3ccccc3-c3cccnc3)c2)CC1 ZINC001170114125 1047455512 /nfs/dbraw/zinc/45/55/12/1047455512.db2.gz CCKYGQFXTZLWMI-UHFFFAOYSA-N 1 2 326.403 4.311 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000807592824 1047478849 /nfs/dbraw/zinc/47/88/49/1047478849.db2.gz UMIWOFRBVPOGNU-RTBURBONSA-N 1 2 346.519 4.392 20 30 EIEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)cs1 ZINC000898130019 1047551581 /nfs/dbraw/zinc/55/15/81/1047551581.db2.gz YWOPITYXLMQDOP-UHFFFAOYSA-N 1 2 344.867 4.368 20 30 EIEDLO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2cc(Cl)ccc2OC)nn1 ZINC000424292947 1047673222 /nfs/dbraw/zinc/67/32/22/1047673222.db2.gz HTQIDKUWGCQHTQ-KRWDZBQOSA-N 1 2 348.878 4.003 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000083113409 1047812908 /nfs/dbraw/zinc/81/29/08/1047812908.db2.gz YDBYAKVFBZKSMM-CXAGYDPISA-N 1 2 346.475 4.088 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000083113409 1047812912 /nfs/dbraw/zinc/81/29/12/1047812912.db2.gz YDBYAKVFBZKSMM-CXAGYDPISA-N 1 2 346.475 4.088 20 30 EIEDLO Cc1cccn2c(CN(CCC#N)Cc3ccc(Cl)cc3)c[nH+]c12 ZINC001136965107 1047996726 /nfs/dbraw/zinc/99/67/26/1047996726.db2.gz DOXYXXCUMUKXFI-UHFFFAOYSA-N 1 2 338.842 4.212 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000499055030 1048131774 /nfs/dbraw/zinc/13/17/74/1048131774.db2.gz LTKQYVUNYVEKNT-HNNXBMFYSA-N 1 2 328.481 4.326 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000499055030 1048131784 /nfs/dbraw/zinc/13/17/84/1048131784.db2.gz LTKQYVUNYVEKNT-HNNXBMFYSA-N 1 2 328.481 4.326 20 30 EIEDLO Cc1ccccc1O[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143723425 1048174424 /nfs/dbraw/zinc/17/44/24/1048174424.db2.gz PHLFQXTXZLRHKH-INIZCTEOSA-N 1 2 326.827 4.173 20 30 EIEDLO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143723425 1048174434 /nfs/dbraw/zinc/17/44/34/1048174434.db2.gz PHLFQXTXZLRHKH-INIZCTEOSA-N 1 2 326.827 4.173 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001143724033 1048174594 /nfs/dbraw/zinc/17/45/94/1048174594.db2.gz UPGOTEMGWHZFPU-QGZVFWFLSA-N 1 2 326.827 4.003 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001143724033 1048174603 /nfs/dbraw/zinc/17/46/03/1048174603.db2.gz UPGOTEMGWHZFPU-QGZVFWFLSA-N 1 2 326.827 4.003 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1ccc(Cl)cc1F ZINC000809698498 1048458683 /nfs/dbraw/zinc/45/86/83/1048458683.db2.gz CAQITYVTJOQVJM-KRWDZBQOSA-N 1 2 347.817 4.269 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1F ZINC000809699420 1048462841 /nfs/dbraw/zinc/46/28/41/1048462841.db2.gz OCCCONBKEAVFJO-LJQANCHMSA-N 1 2 339.801 4.129 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(Cl)c1O ZINC000809705176 1048487538 /nfs/dbraw/zinc/48/75/38/1048487538.db2.gz PHWZPICCMKTBPM-UHFFFAOYSA-N 1 2 333.863 4.401 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(Cl)c1O ZINC000809705176 1048487552 /nfs/dbraw/zinc/48/75/52/1048487552.db2.gz PHWZPICCMKTBPM-UHFFFAOYSA-N 1 2 333.863 4.401 20 30 EIEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC000920387077 1048664191 /nfs/dbraw/zinc/66/41/91/1048664191.db2.gz KPRQUAPFLZWPAB-OGTJOQQYSA-N 1 2 339.435 4.378 20 30 EIEDLO Cc1c(F)c(F)cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1F ZINC001171182960 1048674436 /nfs/dbraw/zinc/67/44/36/1048674436.db2.gz XVWNEMAYKFFJQL-UHFFFAOYSA-N 1 2 330.309 4.308 20 30 EIEDLO C=CCC(F)(F)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000816079467 1048696673 /nfs/dbraw/zinc/69/66/73/1048696673.db2.gz LEVURKQHCWWKIH-UHFFFAOYSA-N 1 2 332.350 4.003 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1cnsn1)c1ccc(C(F)(F)F)cc1 ZINC000846846204 1048927504 /nfs/dbraw/zinc/92/75/04/1048927504.db2.gz FHBPDPONKCSEFB-CQSZACIVSA-N 1 2 327.375 4.354 20 30 EIEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001147171951 1049099625 /nfs/dbraw/zinc/09/96/25/1049099625.db2.gz BWBHVSQBPPAVBB-LPHOPBHVSA-N 1 2 348.918 4.413 20 30 EIEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001147171951 1049099640 /nfs/dbraw/zinc/09/96/40/1049099640.db2.gz BWBHVSQBPPAVBB-LPHOPBHVSA-N 1 2 348.918 4.413 20 30 EIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819033013 1049246207 /nfs/dbraw/zinc/24/62/07/1049246207.db2.gz FPIYKAVNXSDMCS-VGSWGCGISA-N 1 2 345.446 4.134 20 30 EIEDLO CCc1ccc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610003372 1049471311 /nfs/dbraw/zinc/47/13/11/1049471311.db2.gz XPVJJJCEBQJZRE-MRXNPFEDSA-N 1 2 339.508 4.061 20 30 EIEDLO Brc1ccccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000812462848 1049484184 /nfs/dbraw/zinc/48/41/84/1049484184.db2.gz WFHKHYAGEKQNBP-UHFFFAOYSA-N 1 2 341.212 4.081 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1ccc(F)cc1 ZINC000812793919 1049593097 /nfs/dbraw/zinc/59/30/97/1049593097.db2.gz KEKCDJDEDFADJK-NRFANRHFSA-N 1 2 334.369 4.491 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1nc(Cl)ccc1Br)c1ccccc1 ZINC000821221364 1049615324 /nfs/dbraw/zinc/61/53/24/1049615324.db2.gz VASFFQMSCXTMDQ-AWEZNQCLSA-N 1 2 349.659 4.352 20 30 EIEDLO C=CC[N@@H+](CCOc1ccccc1C(C)=O)Cc1ccccc1F ZINC000615353504 1049647013 /nfs/dbraw/zinc/64/70/13/1049647013.db2.gz AVPKYWBCPDOHEE-UHFFFAOYSA-N 1 2 327.399 4.095 20 30 EIEDLO C=CC[N@H+](CCOc1ccccc1C(C)=O)Cc1ccccc1F ZINC000615353504 1049647016 /nfs/dbraw/zinc/64/70/16/1049647016.db2.gz AVPKYWBCPDOHEE-UHFFFAOYSA-N 1 2 327.399 4.095 20 30 EIEDLO N#CCOc1ccc(Cl)cc1COc1ccccc1-n1cc[nH+]c1 ZINC000747858819 1049800597 /nfs/dbraw/zinc/80/05/97/1049800597.db2.gz VOERUCJQEQXNKU-UHFFFAOYSA-N 1 2 339.782 4.007 20 30 EIEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)c1 ZINC001136643694 1049806905 /nfs/dbraw/zinc/80/69/05/1049806905.db2.gz SWXYPRHZRJFSCN-KDURUIRLSA-N 1 2 347.462 4.087 20 30 EIEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001171968706 1049831103 /nfs/dbraw/zinc/83/11/03/1049831103.db2.gz HXWJPUILEGNUQR-HNNXBMFYSA-N 1 2 347.384 4.447 20 30 EIEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001171968706 1049831104 /nfs/dbraw/zinc/83/11/04/1049831104.db2.gz HXWJPUILEGNUQR-HNNXBMFYSA-N 1 2 347.384 4.447 20 30 EIEDLO C[C@H]1CN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 ZINC000823539399 1049855619 /nfs/dbraw/zinc/85/56/19/1049855619.db2.gz YJNRSVREBPGWDE-MQFISKJYSA-N 1 2 327.472 4.185 20 30 EIEDLO C=CC[C@@](C)([NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172571364 1049939143 /nfs/dbraw/zinc/93/91/43/1049939143.db2.gz NFQZPJKQEMCWIU-PIGZYNQJSA-N 1 2 345.817 4.037 20 30 EIEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708788 1049971227 /nfs/dbraw/zinc/97/12/27/1049971227.db2.gz NAIDHNRGCZBKHQ-JTQLQIEISA-N 1 2 349.677 4.230 20 30 EIEDLO C[Si](C)(C)C#Cc1ncccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693461 1050235658 /nfs/dbraw/zinc/23/56/58/1050235658.db2.gz XZAXTAZSSKDYSS-UHFFFAOYSA-N 1 2 346.510 4.299 20 30 EIEDLO C#C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccc(Cl)cc1 ZINC001186639933 1050379376 /nfs/dbraw/zinc/37/93/76/1050379376.db2.gz UBOAZJSQHKIKKD-HNNXBMFYSA-N 1 2 332.794 4.322 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCCC[C@@H]3C#N)CC2)cc1 ZINC001173788755 1050572534 /nfs/dbraw/zinc/57/25/34/1050572534.db2.gz ABQFBAOLFCWGJM-NKELODKYSA-N 1 2 326.440 4.016 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([N@H+]3CCCC[C@@H]3C#N)CC2)cc1 ZINC001173788755 1050572553 /nfs/dbraw/zinc/57/25/53/1050572553.db2.gz ABQFBAOLFCWGJM-NKELODKYSA-N 1 2 326.440 4.016 20 30 EIEDLO CC(C)n1c[nH+]c2cc(Nc3nc4ncccc4cc3C#N)ccc21 ZINC001174380895 1050943894 /nfs/dbraw/zinc/94/38/94/1050943894.db2.gz OPSBJPILDYISGY-UHFFFAOYSA-N 1 2 328.379 4.176 20 30 EIEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174383786 1050945942 /nfs/dbraw/zinc/94/59/42/1050945942.db2.gz UJYPHDBQFQLSCH-UHFFFAOYSA-N 1 2 334.379 4.019 20 30 EIEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350895 1051210182 /nfs/dbraw/zinc/21/01/82/1051210182.db2.gz VUWSREAUEYUANI-WCBMZHEXSA-N 1 2 345.258 4.497 20 30 EIEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350895 1051210190 /nfs/dbraw/zinc/21/01/90/1051210190.db2.gz VUWSREAUEYUANI-WCBMZHEXSA-N 1 2 345.258 4.497 20 30 EIEDLO CC[NH+](CC)[C@@H](C(=O)Nc1ccsc1C#N)c1ccccc1Cl ZINC001182219662 1051437277 /nfs/dbraw/zinc/43/72/77/1051437277.db2.gz YCEUQRLKEURTAW-MRXNPFEDSA-N 1 2 347.871 4.295 20 30 EIEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1Br ZINC001175351529 1051544512 /nfs/dbraw/zinc/54/45/12/1051544512.db2.gz HOIMJQCIZPDDEO-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000775564517 1051868859 /nfs/dbraw/zinc/86/88/59/1051868859.db2.gz XXZAETQHVYVBEG-HXUWFJFHSA-N 1 2 340.854 4.157 20 30 EIEDLO NC(Cc1ccccc1)=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000072001924 1051895656 /nfs/dbraw/zinc/89/56/56/1051895656.db2.gz PKFBWKNGXUESLB-UHFFFAOYSA-N 1 2 341.798 4.027 20 30 EIEDLO C[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046541 1051947212 /nfs/dbraw/zinc/94/72/12/1051947212.db2.gz XVTXBCBKRQXTMF-VBKZILBWSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@@H](C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046541 1051947216 /nfs/dbraw/zinc/94/72/16/1051947216.db2.gz XVTXBCBKRQXTMF-VBKZILBWSA-N 1 2 342.389 4.013 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001194632642 1052181210 /nfs/dbraw/zinc/18/12/10/1052181210.db2.gz BQNMLCGSKYKJMG-GOSISDBHSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001194632642 1052181218 /nfs/dbraw/zinc/18/12/18/1052181218.db2.gz BQNMLCGSKYKJMG-GOSISDBHSA-N 1 2 330.790 4.004 20 30 EIEDLO CCCC[N@H+](CCC#N)Cc1cc(C)cc(Br)c1OC ZINC001238323984 1052686713 /nfs/dbraw/zinc/68/67/13/1052686713.db2.gz OKHZNECNSAOYTD-UHFFFAOYSA-N 1 2 339.277 4.282 20 30 EIEDLO CCCC[N@@H+](CCC#N)Cc1cc(C)cc(Br)c1OC ZINC001238323984 1052686716 /nfs/dbraw/zinc/68/67/16/1052686716.db2.gz OKHZNECNSAOYTD-UHFFFAOYSA-N 1 2 339.277 4.282 20 30 EIEDLO CCCCCCCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000109340170 1053220023 /nfs/dbraw/zinc/22/00/23/1053220023.db2.gz OGUGBZYYASEDTD-UHFFFAOYSA-N 1 2 332.488 4.208 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000794692261 1053315501 /nfs/dbraw/zinc/31/55/01/1053315501.db2.gz VHVBZVKOZHBNFJ-AATRIKPKSA-N 1 2 341.263 4.408 20 30 EIEDLO Cc1ccc2cc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)oc2c1 ZINC000794711991 1053345957 /nfs/dbraw/zinc/34/59/57/1053345957.db2.gz HOIRGMXPUMUODR-VOTSOKGWSA-N 1 2 326.421 4.155 20 30 EIEDLO CCCCOc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794713381 1053347054 /nfs/dbraw/zinc/34/70/54/1053347054.db2.gz NDSRNTZBMWZRBI-ZHACJKMWSA-N 1 2 344.480 4.280 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000764974181 1053396925 /nfs/dbraw/zinc/39/69/25/1053396925.db2.gz XRVXXAMQZUBCLA-INIZCTEOSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000764974181 1053396935 /nfs/dbraw/zinc/39/69/35/1053396935.db2.gz XRVXXAMQZUBCLA-INIZCTEOSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764961650 1053398794 /nfs/dbraw/zinc/39/87/94/1053398794.db2.gz DVLAHJPWGIHGQU-ZDUSSCGKSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764961650 1053398812 /nfs/dbraw/zinc/39/88/12/1053398812.db2.gz DVLAHJPWGIHGQU-ZDUSSCGKSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000764991673 1053404315 /nfs/dbraw/zinc/40/43/15/1053404315.db2.gz UVRSBHDABWCAFJ-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000764991673 1053404330 /nfs/dbraw/zinc/40/43/30/1053404330.db2.gz UVRSBHDABWCAFJ-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765054298 1053425405 /nfs/dbraw/zinc/42/54/05/1053425405.db2.gz DTOGTYWALGWDEY-ZIAGYGMSSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765054298 1053425410 /nfs/dbraw/zinc/42/54/10/1053425410.db2.gz DTOGTYWALGWDEY-ZIAGYGMSSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(F)c1O ZINC000775661555 1053430068 /nfs/dbraw/zinc/43/00/68/1053430068.db2.gz MHBBAHBFRKIXCS-UHFFFAOYSA-N 1 2 330.790 4.245 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(F)c1O ZINC000775661555 1053430076 /nfs/dbraw/zinc/43/00/76/1053430076.db2.gz MHBBAHBFRKIXCS-UHFFFAOYSA-N 1 2 330.790 4.245 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765049486 1053430674 /nfs/dbraw/zinc/43/06/74/1053430674.db2.gz QWNNFCCZAAWSLH-IYBDPMFKSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765049486 1053430677 /nfs/dbraw/zinc/43/06/77/1053430677.db2.gz QWNNFCCZAAWSLH-IYBDPMFKSA-N 1 2 342.512 4.121 20 30 EIEDLO Cc1ccnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1Br ZINC000865624750 1053562467 /nfs/dbraw/zinc/56/24/67/1053562467.db2.gz YJOKIOCXYMEINV-UHFFFAOYSA-N 1 2 344.256 4.049 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000853598515 1053688592 /nfs/dbraw/zinc/68/85/92/1053688592.db2.gz BWVHDRZYGSTHCN-CALCHBBNSA-N 1 2 340.496 4.067 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000853598515 1053688597 /nfs/dbraw/zinc/68/85/97/1053688597.db2.gz BWVHDRZYGSTHCN-CALCHBBNSA-N 1 2 340.496 4.067 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000853598509 1053689708 /nfs/dbraw/zinc/68/97/08/1053689708.db2.gz BSRSIZKYOSJJJO-CALCHBBNSA-N 1 2 340.496 4.067 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000853598509 1053689711 /nfs/dbraw/zinc/68/97/11/1053689711.db2.gz BSRSIZKYOSJJJO-CALCHBBNSA-N 1 2 340.496 4.067 20 30 EIEDLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)c1OC ZINC000866358367 1053701688 /nfs/dbraw/zinc/70/16/88/1053701688.db2.gz XSGFHJZWCCXRBE-ZIAGYGMSSA-N 1 2 340.423 4.001 20 30 EIEDLO C=CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC001197988289 1054050034 /nfs/dbraw/zinc/05/00/34/1054050034.db2.gz HUVVRKJGMVFMPB-KRWDZBQOSA-N 1 2 346.272 4.086 20 30 EIEDLO C=CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC001197988289 1054050046 /nfs/dbraw/zinc/05/00/46/1054050046.db2.gz HUVVRKJGMVFMPB-KRWDZBQOSA-N 1 2 346.272 4.086 20 30 EIEDLO CCCCCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000858113539 1054418232 /nfs/dbraw/zinc/41/82/32/1054418232.db2.gz UAQQWZCRTSYSIU-UHFFFAOYSA-N 1 2 346.519 4.079 20 30 EIEDLO CCCCCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000858112065 1054418485 /nfs/dbraw/zinc/41/84/85/1054418485.db2.gz DLBXNBSBRNCYJO-UHFFFAOYSA-N 1 2 334.508 4.055 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000858245281 1054447357 /nfs/dbraw/zinc/44/73/57/1054447357.db2.gz GDOLGDIJBDTQMC-HNAYVOBHSA-N 1 2 344.405 4.334 20 30 EIEDLO N#CC1CC[NH+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000859106230 1054623341 /nfs/dbraw/zinc/62/33/41/1054623341.db2.gz VEXOTTAWOGMLDJ-UHFFFAOYSA-N 1 2 336.222 4.384 20 30 EIEDLO CC[N@H+](Cc1cccnc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597030 1054935021 /nfs/dbraw/zinc/93/50/21/1054935021.db2.gz BCTNYLGYHSOVES-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1cccnc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597030 1054935029 /nfs/dbraw/zinc/93/50/29/1054935029.db2.gz BCTNYLGYHSOVES-ZDUSSCGKSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@H+](Cc1cccnc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000876597026 1054935620 /nfs/dbraw/zinc/93/56/20/1054935620.db2.gz BCTNYLGYHSOVES-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1cccnc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000876597026 1054935633 /nfs/dbraw/zinc/93/56/33/1054935633.db2.gz BCTNYLGYHSOVES-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877534432 1055074746 /nfs/dbraw/zinc/07/47/46/1055074746.db2.gz IHAPGEZYTRXFET-QGZVFWFLSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877534432 1055074757 /nfs/dbraw/zinc/07/47/57/1055074757.db2.gz IHAPGEZYTRXFET-QGZVFWFLSA-N 1 2 329.831 4.198 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccccc1 ZINC000878362691 1055265700 /nfs/dbraw/zinc/26/57/00/1055265700.db2.gz DWKCDCQGEOYNGZ-CYBMUJFWSA-N 1 2 335.270 4.068 20 30 EIEDLO N#Cc1cc(Cl)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301216874 1055909097 /nfs/dbraw/zinc/90/90/97/1055909097.db2.gz ZAFMXYFKJAAXKZ-UHFFFAOYSA-N 1 2 326.831 4.209 20 30 EIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCCCCNc1cccc[nH+]1 ZINC000301442989 1055937918 /nfs/dbraw/zinc/93/79/18/1055937918.db2.gz YMYJGCIDSPAVNR-UHFFFAOYSA-N 1 2 349.413 4.253 20 30 EIEDLO CCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737442408 1058332038 /nfs/dbraw/zinc/33/20/38/1058332038.db2.gz CXUKVZPFJVXVIL-RMKNXTFCSA-N 1 2 326.783 4.283 20 30 EIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000742149734 1058534881 /nfs/dbraw/zinc/53/48/81/1058534881.db2.gz PKQMSKLZTFWNTP-UHFFFAOYSA-N 1 2 329.878 4.443 20 30 EIEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccc(Cl)s2)oc1=S ZINC000742149734 1058534897 /nfs/dbraw/zinc/53/48/97/1058534897.db2.gz PKQMSKLZTFWNTP-UHFFFAOYSA-N 1 2 329.878 4.443 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000742153979 1058538497 /nfs/dbraw/zinc/53/84/97/1058538497.db2.gz BDMRUQYNBXELCO-LSDHHAIUSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000742153979 1058538515 /nfs/dbraw/zinc/53/85/15/1058538515.db2.gz BDMRUQYNBXELCO-LSDHHAIUSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CC[N@H+](CC1CCCCC1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000743363497 1058952001 /nfs/dbraw/zinc/95/20/01/1058952001.db2.gz JBAYDFJNMJMAJL-UHFFFAOYSA-N 1 2 345.512 4.101 20 30 EIEDLO C=CC[N@@H+](CC1CCCCC1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000743363497 1058952023 /nfs/dbraw/zinc/95/20/23/1058952023.db2.gz JBAYDFJNMJMAJL-UHFFFAOYSA-N 1 2 345.512 4.101 20 30 EIEDLO CCc1ccc2c(C[N@H+](CCC#N)CCC(C)C)cc(=O)oc2c1 ZINC000744405120 1059469686 /nfs/dbraw/zinc/46/96/86/1059469686.db2.gz BGKGHCOOAUISBV-UHFFFAOYSA-N 1 2 326.440 4.117 20 30 EIEDLO CCc1ccc2c(C[N@@H+](CCC#N)CCC(C)C)cc(=O)oc2c1 ZINC000744405120 1059469724 /nfs/dbraw/zinc/46/97/24/1059469724.db2.gz BGKGHCOOAUISBV-UHFFFAOYSA-N 1 2 326.440 4.117 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1cccs1 ZINC000078955469 217157530 /nfs/dbraw/zinc/15/75/30/217157530.db2.gz RBVJCEZZSOTETI-UHFFFAOYSA-N 1 2 342.508 4.500 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1cccs1 ZINC000078955469 217157532 /nfs/dbraw/zinc/15/75/32/217157532.db2.gz RBVJCEZZSOTETI-UHFFFAOYSA-N 1 2 342.508 4.500 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c(F)c1 ZINC000532987684 1032427747 /nfs/dbraw/zinc/42/77/47/1032427747.db2.gz LRCXHVXUEOFSDE-AWEZNQCLSA-N 1 2 337.181 4.227 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000533140325 1032510176 /nfs/dbraw/zinc/51/01/76/1032510176.db2.gz SQFCGNIQCIUNCY-MRXNPFEDSA-N 1 2 330.435 4.125 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000533140325 1032510181 /nfs/dbraw/zinc/51/01/81/1032510181.db2.gz SQFCGNIQCIUNCY-MRXNPFEDSA-N 1 2 330.435 4.125 20 30 EIEDLO C=CC[N@@H+](Cc1cnc(C(C)C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379903 1032587370 /nfs/dbraw/zinc/58/73/70/1032587370.db2.gz RLZDEPVUWJQCHF-UHFFFAOYSA-N 1 2 331.441 4.363 20 30 EIEDLO C=CC[N@H+](Cc1cnc(C(C)C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379903 1032587400 /nfs/dbraw/zinc/58/74/00/1032587400.db2.gz RLZDEPVUWJQCHF-UHFFFAOYSA-N 1 2 331.441 4.363 20 30 EIEDLO C=CC[N@@H+](Cc1nc2ccc(F)cc2s1)Cc1cccc(C#N)c1 ZINC000432742159 1032646469 /nfs/dbraw/zinc/64/64/69/1032646469.db2.gz QRQRJZDBLPHEMX-UHFFFAOYSA-N 1 2 337.423 4.495 20 30 EIEDLO C=CC[N@H+](Cc1nc2ccc(F)cc2s1)Cc1cccc(C#N)c1 ZINC000432742159 1032646481 /nfs/dbraw/zinc/64/64/81/1032646481.db2.gz QRQRJZDBLPHEMX-UHFFFAOYSA-N 1 2 337.423 4.495 20 30 EIEDLO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(F)ccc1C#N ZINC000229956092 1019830049 /nfs/dbraw/zinc/83/00/49/1019830049.db2.gz JWCMNKDJYQNRCA-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(F)ccc1C#N ZINC000229956092 1019830059 /nfs/dbraw/zinc/83/00/59/1019830059.db2.gz JWCMNKDJYQNRCA-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc2ccccc2n1C(F)F ZINC000547747331 1019998483 /nfs/dbraw/zinc/99/84/83/1019998483.db2.gz ZJLKFFVWBWWDCR-LLVKDONJSA-N 1 2 344.340 4.293 20 30 EIEDLO COc1ccc(-c2cc(C[N@H+](CCC#N)CCC(C)C)on2)cc1 ZINC000610392362 1021716328 /nfs/dbraw/zinc/71/63/28/1021716328.db2.gz MRKJBGNEDUUUJE-UHFFFAOYSA-N 1 2 327.428 4.112 20 30 EIEDLO COc1ccc(-c2cc(C[N@@H+](CCC#N)CCC(C)C)on2)cc1 ZINC000610392362 1021716345 /nfs/dbraw/zinc/71/63/45/1021716345.db2.gz MRKJBGNEDUUUJE-UHFFFAOYSA-N 1 2 327.428 4.112 20 30 EIEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)CC2 ZINC000582092331 1021916573 /nfs/dbraw/zinc/91/65/73/1021916573.db2.gz MNEHANOUKMQJRX-OALUTQOASA-N 1 2 331.444 4.381 20 30 EIEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)CC2 ZINC000582092333 1021918729 /nfs/dbraw/zinc/91/87/29/1021918729.db2.gz MNEHANOUKMQJRX-RTBURBONSA-N 1 2 331.444 4.381 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccncc2)c2cc(F)ccc2F)s1 ZINC000377986665 1022188832 /nfs/dbraw/zinc/18/88/32/1022188832.db2.gz APMUCXNTHBREJY-SFHVURJKSA-N 1 2 341.386 4.172 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000160787942 1022854472 /nfs/dbraw/zinc/85/44/72/1022854472.db2.gz WNEZNRGEICFQCJ-MRXNPFEDSA-N 1 2 346.434 4.418 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000160787942 1022854474 /nfs/dbraw/zinc/85/44/74/1022854474.db2.gz WNEZNRGEICFQCJ-MRXNPFEDSA-N 1 2 346.434 4.418 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(C(C)(C)C)s1 ZINC000581421975 1023175386 /nfs/dbraw/zinc/17/53/86/1023175386.db2.gz NIUPEJCNSAEANM-UHFFFAOYSA-N 1 2 334.485 4.104 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(C(C)(C)C)s1 ZINC000581421975 1023175399 /nfs/dbraw/zinc/17/53/99/1023175399.db2.gz NIUPEJCNSAEANM-UHFFFAOYSA-N 1 2 334.485 4.104 20 30 EIEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)CCC2 ZINC000376636601 1023247089 /nfs/dbraw/zinc/24/70/89/1023247089.db2.gz JPTWGUOIAMSAPI-ZDUSSCGKSA-N 1 2 334.345 4.072 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376817733 1023318587 /nfs/dbraw/zinc/31/85/87/1023318587.db2.gz FDOCHCVIZHSGNT-ZIAGYGMSSA-N 1 2 334.448 4.489 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC001137565602 1023378913 /nfs/dbraw/zinc/37/89/13/1023378913.db2.gz VWBZWFLJHBEOME-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC001137565602 1023378918 /nfs/dbraw/zinc/37/89/18/1023378918.db2.gz VWBZWFLJHBEOME-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc([S@](C)=O)cc1 ZINC000162791782 1023826787 /nfs/dbraw/zinc/82/67/87/1023826787.db2.gz IVWFSCVWYUEAJV-OAQYLSRUSA-N 1 2 339.913 4.327 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc([S@](C)=O)cc1 ZINC000162791782 1023826790 /nfs/dbraw/zinc/82/67/90/1023826790.db2.gz IVWFSCVWYUEAJV-OAQYLSRUSA-N 1 2 339.913 4.327 20 30 EIEDLO COc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(C(F)(F)F)c1 ZINC001143511788 1023868452 /nfs/dbraw/zinc/86/84/52/1023868452.db2.gz KQNOPJKFDRNTCA-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(C(F)(F)F)c1 ZINC001143511788 1023868453 /nfs/dbraw/zinc/86/84/53/1023868453.db2.gz KQNOPJKFDRNTCA-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276690396 1023869712 /nfs/dbraw/zinc/86/97/12/1023869712.db2.gz MUDMXBBOAFIWFJ-MRXNPFEDSA-N 1 2 330.476 4.015 20 30 EIEDLO CCn1nc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137362 1024365792 /nfs/dbraw/zinc/36/57/92/1024365792.db2.gz HMMFTCJCQXLGDF-TZIWHRDSSA-N 1 2 344.462 4.328 20 30 EIEDLO CCn1nc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137362 1024365811 /nfs/dbraw/zinc/36/58/11/1024365811.db2.gz HMMFTCJCQXLGDF-TZIWHRDSSA-N 1 2 344.462 4.328 20 30 EIEDLO COc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610864018 1025079426 /nfs/dbraw/zinc/07/94/26/1025079426.db2.gz NYIFFKAWMWMCMD-KBPBESRZSA-N 1 2 348.406 4.029 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1nc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000342189608 1025412437 /nfs/dbraw/zinc/41/24/37/1025412437.db2.gz GOVZLQAHSYFSMV-AWEZNQCLSA-N 1 2 325.334 4.194 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1nc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000342189610 1025413291 /nfs/dbraw/zinc/41/32/91/1025413291.db2.gz GOVZLQAHSYFSMV-CQSZACIVSA-N 1 2 325.334 4.194 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)cn1 ZINC001140540337 1025877911 /nfs/dbraw/zinc/87/79/11/1025877911.db2.gz RYNRSRLWEJHVDS-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)cn1 ZINC001140540337 1025877929 /nfs/dbraw/zinc/87/79/29/1025877929.db2.gz RYNRSRLWEJHVDS-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CCC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000302862890 1027417242 /nfs/dbraw/zinc/41/72/42/1027417242.db2.gz WIQKKOJCEXTAMK-KRWDZBQOSA-N 1 2 340.496 4.149 20 30 EIEDLO C=CCC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000302862890 1027417252 /nfs/dbraw/zinc/41/72/52/1027417252.db2.gz WIQKKOJCEXTAMK-KRWDZBQOSA-N 1 2 340.496 4.149 20 30 EIEDLO C=CCCc1ccccc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001625945548 1027456126 /nfs/dbraw/zinc/45/61/26/1027456126.db2.gz WUWLTXZWSDWNAV-UHFFFAOYSA-N 1 2 331.419 4.172 20 30 EIEDLO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CCC1(F)F ZINC001141894611 1027492649 /nfs/dbraw/zinc/49/26/49/1027492649.db2.gz OCBPPTCZHQDWKA-NSHDSACASA-N 1 2 343.215 4.188 20 30 EIEDLO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CCC1(F)F ZINC001141894611 1027492655 /nfs/dbraw/zinc/49/26/55/1027492655.db2.gz OCBPPTCZHQDWKA-NSHDSACASA-N 1 2 343.215 4.188 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1C#N ZINC001141894762 1027516586 /nfs/dbraw/zinc/51/65/86/1027516586.db2.gz SVXGLFUMSRISQD-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1C#N ZINC001141894762 1027516603 /nfs/dbraw/zinc/51/66/03/1027516603.db2.gz SVXGLFUMSRISQD-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO N#Cc1ccccc1CNc1[nH+]cccc1OCc1ccccc1F ZINC001167636252 1027629424 /nfs/dbraw/zinc/62/94/24/1027629424.db2.gz ZHSUNSRYIBKHGC-UHFFFAOYSA-N 1 2 333.366 4.283 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000154097709 1028106734 /nfs/dbraw/zinc/10/67/34/1028106734.db2.gz BFBDLWOCYSWFKM-UHFFFAOYSA-N 1 2 326.419 4.044 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000154097709 1028106743 /nfs/dbraw/zinc/10/67/43/1028106743.db2.gz BFBDLWOCYSWFKM-UHFFFAOYSA-N 1 2 326.419 4.044 20 30 EIEDLO Cc1oc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2c1C ZINC000330141527 1028214795 /nfs/dbraw/zinc/21/47/95/1028214795.db2.gz JRDOPQUDTXBQLK-UHFFFAOYSA-N 1 2 338.411 4.198 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)c1ccc(F)c(F)c1 ZINC000647300270 1028903389 /nfs/dbraw/zinc/90/33/89/1028903389.db2.gz AJBKIJQKDWQKBJ-YJYMSZOUSA-N 1 2 331.410 4.466 20 30 EIEDLO Cc1ccc(CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000584382617 1029803271 /nfs/dbraw/zinc/80/32/71/1029803271.db2.gz DTBNIHYGPHZDSP-UHFFFAOYSA-N 1 2 325.481 4.168 20 30 EIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001125712865 1030035043 /nfs/dbraw/zinc/03/50/43/1030035043.db2.gz IVSBRTAPCQSMAX-MRXNPFEDSA-N 1 2 349.459 4.110 20 30 EIEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000451820737 1030725768 /nfs/dbraw/zinc/72/57/68/1030725768.db2.gz YZJGBSLJSBGIQP-KRWDZBQOSA-N 1 2 333.460 4.473 20 30 EIEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000191146472 1030800562 /nfs/dbraw/zinc/80/05/62/1030800562.db2.gz QKTCIOYAAGKOJB-AWEZNQCLSA-N 1 2 334.847 4.499 20 30 EIEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000191146472 1030800571 /nfs/dbraw/zinc/80/05/71/1030800571.db2.gz QKTCIOYAAGKOJB-AWEZNQCLSA-N 1 2 334.847 4.499 20 30 EIEDLO CCOc1cccc(/C=[NH+]/CCc2nc(C(C)(C)C)cs2)c1O ZINC000729641619 1031834021 /nfs/dbraw/zinc/83/40/21/1031834021.db2.gz PTHMBWONRFVBQS-YBFXNURJSA-N 1 2 332.469 4.207 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509798659 1033886239 /nfs/dbraw/zinc/88/62/39/1033886239.db2.gz JCVZKPJQLWOZDT-SFHVURJKSA-N 1 2 344.462 4.439 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509798659 1033886240 /nfs/dbraw/zinc/88/62/40/1033886240.db2.gz JCVZKPJQLWOZDT-SFHVURJKSA-N 1 2 344.462 4.439 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000509814901 1034045356 /nfs/dbraw/zinc/04/53/56/1034045356.db2.gz WWRNBIWLZGUHJM-GFCCVEGCSA-N 1 2 333.229 4.301 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000509814901 1034045371 /nfs/dbraw/zinc/04/53/71/1034045371.db2.gz WWRNBIWLZGUHJM-GFCCVEGCSA-N 1 2 333.229 4.301 20 30 EIEDLO C=CCc1cc(C[NH2+]C2(C(F)F)CCCCC2)cc(OC)c1O ZINC000512891988 1034138727 /nfs/dbraw/zinc/13/87/27/1034138727.db2.gz SFTWSGBQLWIWBV-UHFFFAOYSA-N 1 2 325.399 4.187 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1OC(F)(F)F ZINC000574993001 1035649964 /nfs/dbraw/zinc/64/99/64/1035649964.db2.gz COFIFDCMTUGXON-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1OC(F)(F)F ZINC000574993001 1035649983 /nfs/dbraw/zinc/64/99/83/1035649983.db2.gz COFIFDCMTUGXON-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000029689562 1035737149 /nfs/dbraw/zinc/73/71/49/1035737149.db2.gz JXAZBKGKACJKCR-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000595623356 1035737945 /nfs/dbraw/zinc/73/79/45/1035737945.db2.gz NUGFJCLFFJPYGI-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000595623356 1035737964 /nfs/dbraw/zinc/73/79/64/1035737964.db2.gz NUGFJCLFFJPYGI-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO CC(C)C[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000602162568 1036345715 /nfs/dbraw/zinc/34/57/15/1036345715.db2.gz YMNGURUZZAUEQC-MOPGFXCFSA-N 1 2 338.455 4.022 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602475921 1036453839 /nfs/dbraw/zinc/45/38/39/1036453839.db2.gz TXNJAOVYTICBGQ-HXUWFJFHSA-N 1 2 345.450 4.221 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475921 1036453855 /nfs/dbraw/zinc/45/38/55/1036453855.db2.gz TXNJAOVYTICBGQ-HXUWFJFHSA-N 1 2 345.450 4.221 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000602807933 1036630941 /nfs/dbraw/zinc/63/09/41/1036630941.db2.gz VEHQZBCSQAHGHI-UHFFFAOYSA-N 1 2 349.356 4.486 20 30 EIEDLO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980612 1036689858 /nfs/dbraw/zinc/68/98/58/1036689858.db2.gz SHDYZJYLVGAOEM-UYAOXDASSA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980612 1036689869 /nfs/dbraw/zinc/68/98/69/1036689869.db2.gz SHDYZJYLVGAOEM-UYAOXDASSA-N 1 2 333.435 4.063 20 30 EIEDLO C#CCCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816854 1036733251 /nfs/dbraw/zinc/73/32/51/1036733251.db2.gz XWCBZLBWLKVDJB-KRWDZBQOSA-N 1 2 341.499 4.015 20 30 EIEDLO C#CCCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816854 1036733273 /nfs/dbraw/zinc/73/32/73/1036733273.db2.gz XWCBZLBWLKVDJB-KRWDZBQOSA-N 1 2 341.499 4.015 20 30 EIEDLO C#CCCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816855 1036736448 /nfs/dbraw/zinc/73/64/48/1036736448.db2.gz XWCBZLBWLKVDJB-QGZVFWFLSA-N 1 2 341.499 4.015 20 30 EIEDLO C#CCCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816855 1036736465 /nfs/dbraw/zinc/73/64/65/1036736465.db2.gz XWCBZLBWLKVDJB-QGZVFWFLSA-N 1 2 341.499 4.015 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000590014329 1036919700 /nfs/dbraw/zinc/91/97/00/1036919700.db2.gz FJFGVPAZFYWORH-OAHLLOKOSA-N 1 2 340.389 4.029 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000590014329 1036919719 /nfs/dbraw/zinc/91/97/19/1036919719.db2.gz FJFGVPAZFYWORH-OAHLLOKOSA-N 1 2 340.389 4.029 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000590014328 1036920979 /nfs/dbraw/zinc/92/09/79/1036920979.db2.gz FJFGVPAZFYWORH-HNNXBMFYSA-N 1 2 340.389 4.029 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000590014328 1036920990 /nfs/dbraw/zinc/92/09/90/1036920990.db2.gz FJFGVPAZFYWORH-HNNXBMFYSA-N 1 2 340.389 4.029 20 30 EIEDLO CC[N@H+](Cc1ccncc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000599270418 1036936951 /nfs/dbraw/zinc/93/69/51/1036936951.db2.gz JFKDOZQYPFVKAS-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[N@@H+](Cc1ccncc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000599270418 1036936963 /nfs/dbraw/zinc/93/69/63/1036936963.db2.gz JFKDOZQYPFVKAS-CYBMUJFWSA-N 1 2 344.256 4.299 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000272638863 1037254490 /nfs/dbraw/zinc/25/44/90/1037254490.db2.gz XFQAIALNVWKOGW-UHFFFAOYSA-N 1 2 349.356 4.486 20 30 EIEDLO N#CCCCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000591856709 1037640640 /nfs/dbraw/zinc/64/06/40/1037640640.db2.gz CQPBVZOCBBASET-UHFFFAOYSA-N 1 2 336.439 4.299 20 30 EIEDLO CC(C)Oc1ccnc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000593013196 1037891990 /nfs/dbraw/zinc/89/19/90/1037891990.db2.gz IEDBPDFITISYAF-SFTDATJTSA-N 1 2 335.451 4.141 20 30 EIEDLO CC(C)Oc1ccnc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000593013196 1037891998 /nfs/dbraw/zinc/89/19/98/1037891998.db2.gz IEDBPDFITISYAF-SFTDATJTSA-N 1 2 335.451 4.141 20 30 EIEDLO N#CCCC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000593036314 1037906227 /nfs/dbraw/zinc/90/62/27/1037906227.db2.gz YMAWAUMBZSDYPX-UHFFFAOYSA-N 1 2 343.215 4.243 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172965362 1038028475 /nfs/dbraw/zinc/02/84/75/1038028475.db2.gz BOFIGNLCZJNUDM-CXAGYDPISA-N 1 2 346.475 4.088 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172965362 1038028494 /nfs/dbraw/zinc/02/84/94/1038028494.db2.gz BOFIGNLCZJNUDM-CXAGYDPISA-N 1 2 346.475 4.088 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000489472181 1038062972 /nfs/dbraw/zinc/06/29/72/1038062972.db2.gz FTSHMMOGZWXKAO-CQSZACIVSA-N 1 2 329.469 4.217 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000489472181 1038062985 /nfs/dbraw/zinc/06/29/85/1038062985.db2.gz FTSHMMOGZWXKAO-CQSZACIVSA-N 1 2 329.469 4.217 20 30 EIEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606568865 1038173846 /nfs/dbraw/zinc/17/38/46/1038173846.db2.gz DAXPCBGPXDSBRO-UHFFFAOYSA-N 1 2 338.386 4.002 20 30 EIEDLO CC(C)(C#N)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000593945529 1038203338 /nfs/dbraw/zinc/20/33/38/1038203338.db2.gz YGVZLMRHBPSXIW-UHFFFAOYSA-N 1 2 334.423 4.177 20 30 EIEDLO C=C1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000607731303 1038274926 /nfs/dbraw/zinc/27/49/26/1038274926.db2.gz GGYADIHRLJOUIJ-UHFFFAOYSA-N 1 2 333.229 4.256 20 30 EIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000046528077 1038290097 /nfs/dbraw/zinc/29/00/97/1038290097.db2.gz WUSUBHDJRZYOJF-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000046528077 1038290111 /nfs/dbraw/zinc/29/01/11/1038290111.db2.gz WUSUBHDJRZYOJF-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO CC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1O ZINC000924969093 1038770506 /nfs/dbraw/zinc/77/05/06/1038770506.db2.gz HIAOSSRYTDTUBJ-AWEZNQCLSA-N 1 2 329.469 4.259 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)c(Br)c2)c1 ZINC000547341343 1039096815 /nfs/dbraw/zinc/09/68/15/1039096815.db2.gz KCFJXGMWFLENHG-UHFFFAOYSA-N 1 2 336.620 4.176 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc3ccc(F)cc3s1)C2 ZINC000600212925 1039374279 /nfs/dbraw/zinc/37/42/79/1039374279.db2.gz LDUWIPWTNXBVPS-UHFFFAOYSA-N 1 2 337.423 4.060 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc3ccc(F)cc3s1)C2 ZINC000600212925 1039374291 /nfs/dbraw/zinc/37/42/91/1039374291.db2.gz LDUWIPWTNXBVPS-UHFFFAOYSA-N 1 2 337.423 4.060 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481704575 1039769691 /nfs/dbraw/zinc/76/96/91/1039769691.db2.gz OUAIGHOCNMQAQA-HXUWFJFHSA-N 1 2 338.838 4.233 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481704575 1039769716 /nfs/dbraw/zinc/76/97/16/1039769716.db2.gz OUAIGHOCNMQAQA-HXUWFJFHSA-N 1 2 338.838 4.233 20 30 EIEDLO Cc1ccc(Sc2ccc(C[NH2+]CCC#N)cc2[N+](=O)[O-])cc1 ZINC000346743406 1040274575 /nfs/dbraw/zinc/27/45/75/1040274575.db2.gz WARGHINIXWNYMP-UHFFFAOYSA-N 1 2 327.409 4.058 20 30 EIEDLO C[C@@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000479517157 1040436831 /nfs/dbraw/zinc/43/68/31/1040436831.db2.gz WCDCXODRQHWDCE-BZNIZROVSA-N 1 2 335.234 4.249 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553990864 1040679958 /nfs/dbraw/zinc/67/99/58/1040679958.db2.gz IZGGIGXADMDRBB-DYVFJYSZSA-N 1 2 339.464 4.030 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553990864 1040679963 /nfs/dbraw/zinc/67/99/63/1040679963.db2.gz IZGGIGXADMDRBB-DYVFJYSZSA-N 1 2 339.464 4.030 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1Cl ZINC000483434492 1040859803 /nfs/dbraw/zinc/85/98/03/1040859803.db2.gz DHAYUFWPCMVOSD-UHFFFAOYSA-N 1 2 339.620 4.199 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1Cl ZINC000483434492 1040859805 /nfs/dbraw/zinc/85/98/05/1040859805.db2.gz DHAYUFWPCMVOSD-UHFFFAOYSA-N 1 2 339.620 4.199 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000425530606 1041165738 /nfs/dbraw/zinc/16/57/38/1041165738.db2.gz FOQGTVGKXPWWNH-ZDUSSCGKSA-N 1 2 340.377 4.496 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000425530606 1041165748 /nfs/dbraw/zinc/16/57/48/1041165748.db2.gz FOQGTVGKXPWWNH-ZDUSSCGKSA-N 1 2 340.377 4.496 20 30 EIEDLO Cc1cc(F)ccc1N(CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000540551121 1041536930 /nfs/dbraw/zinc/53/69/30/1041536930.db2.gz CANFOMOBWTZOMF-UHFFFAOYSA-N 1 2 348.425 4.299 20 30 EIEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000540663787 1041593024 /nfs/dbraw/zinc/59/30/24/1041593024.db2.gz CQYYXIJNCLJXMJ-OAHLLOKOSA-N 1 2 326.362 4.019 20 30 EIEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000540663787 1041593028 /nfs/dbraw/zinc/59/30/28/1041593028.db2.gz CQYYXIJNCLJXMJ-OAHLLOKOSA-N 1 2 326.362 4.019 20 30 EIEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463714345 1041715178 /nfs/dbraw/zinc/71/51/78/1041715178.db2.gz VVSOHJNFFKZQNJ-MRXNPFEDSA-N 1 2 338.455 4.363 20 30 EIEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782344 1041751170 /nfs/dbraw/zinc/75/11/70/1041751170.db2.gz OLTJDGLZWQDKRD-CVEARBPZSA-N 1 2 337.423 4.088 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438096403 1042043061 /nfs/dbraw/zinc/04/30/61/1042043061.db2.gz OPAFHEUITYYNKZ-UHFFFAOYSA-N 1 2 342.462 4.222 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438096403 1042043065 /nfs/dbraw/zinc/04/30/65/1042043065.db2.gz OPAFHEUITYYNKZ-UHFFFAOYSA-N 1 2 342.462 4.222 20 30 EIEDLO N#CCCCOc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438307404 1042129746 /nfs/dbraw/zinc/12/97/46/1042129746.db2.gz UWNVMEQPVNXMAC-UHFFFAOYSA-N 1 2 346.434 4.226 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccccc1 ZINC000437895912 1042558418 /nfs/dbraw/zinc/55/84/18/1042558418.db2.gz MNJSLRCXGQCGOL-ACJLOTCBSA-N 1 2 328.362 4.353 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccccc1 ZINC000437895912 1042558419 /nfs/dbraw/zinc/55/84/19/1042558419.db2.gz MNJSLRCXGQCGOL-ACJLOTCBSA-N 1 2 328.362 4.353 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000439435638 1042623878 /nfs/dbraw/zinc/62/38/78/1042623878.db2.gz DZOSINCFBRUNJX-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000439435638 1042623887 /nfs/dbraw/zinc/62/38/87/1042623887.db2.gz DZOSINCFBRUNJX-UHFFFAOYSA-N 1 2 341.798 4.284 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)CCC)c1=S ZINC000727820581 1043313771 /nfs/dbraw/zinc/31/37/71/1043313771.db2.gz AEGWITVVOSHCGZ-UHFFFAOYSA-N 1 2 334.464 4.096 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)CCC)c1=S ZINC000727820581 1043313780 /nfs/dbraw/zinc/31/37/80/1043313780.db2.gz AEGWITVVOSHCGZ-UHFFFAOYSA-N 1 2 334.464 4.096 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000508225006 1043318875 /nfs/dbraw/zinc/31/88/75/1043318875.db2.gz SDYWCMPCSZTSKZ-UHFFFAOYSA-N 1 2 325.456 4.417 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000508225006 1043318888 /nfs/dbraw/zinc/31/88/88/1043318888.db2.gz SDYWCMPCSZTSKZ-UHFFFAOYSA-N 1 2 325.456 4.417 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000731894187 1043841767 /nfs/dbraw/zinc/84/17/67/1043841767.db2.gz XNOUFZPQFHCPPD-HYFFOGBASA-N 1 2 345.446 4.161 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000731894187 1043841769 /nfs/dbraw/zinc/84/17/69/1043841769.db2.gz XNOUFZPQFHCPPD-HYFFOGBASA-N 1 2 345.446 4.161 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000732183940 1043882470 /nfs/dbraw/zinc/88/24/70/1043882470.db2.gz VWLWZTWVLJTBAL-CQSZACIVSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000732183940 1043882472 /nfs/dbraw/zinc/88/24/72/1043882472.db2.gz VWLWZTWVLJTBAL-CQSZACIVSA-N 1 2 348.491 4.342 20 30 EIEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001141720936 1044315736 /nfs/dbraw/zinc/31/57/36/1044315736.db2.gz ANQFSJUHYWDQFE-KRWDZBQOSA-N 1 2 329.241 4.338 20 30 EIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001141720936 1044315739 /nfs/dbraw/zinc/31/57/39/1044315739.db2.gz ANQFSJUHYWDQFE-KRWDZBQOSA-N 1 2 329.241 4.338 20 30 EIEDLO CCCCCCCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000734144061 1044501447 /nfs/dbraw/zinc/50/14/47/1044501447.db2.gz NWQFUUUVLUPNMX-LJQANCHMSA-N 1 2 345.531 4.428 20 30 EIEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000522420771 1044796024 /nfs/dbraw/zinc/79/60/24/1044796024.db2.gz ZBNVVDCDGIAMIH-GOSISDBHSA-N 1 2 346.474 4.258 20 30 EIEDLO N#Cc1ccc(F)c(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884709 1044817558 /nfs/dbraw/zinc/81/75/58/1044817558.db2.gz HHSTZFSTBDFXIJ-ROUUACIJSA-N 1 2 348.381 4.303 20 30 EIEDLO C=CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739930390 1045175527 /nfs/dbraw/zinc/17/55/27/1045175527.db2.gz LHPYYUJSWVMNIW-OAHLLOKOSA-N 1 2 341.480 4.151 20 30 EIEDLO C=CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739930390 1045175529 /nfs/dbraw/zinc/17/55/29/1045175529.db2.gz LHPYYUJSWVMNIW-OAHLLOKOSA-N 1 2 341.480 4.151 20 30 EIEDLO CC[C@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739926335 1045176288 /nfs/dbraw/zinc/17/62/88/1045176288.db2.gz DEWOJOIDEKACDY-LSDHHAIUSA-N 1 2 341.480 4.127 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(N2CCCCC2)c(F)c1 ZINC000740763708 1045218593 /nfs/dbraw/zinc/21/85/93/1045218593.db2.gz GLNYHWPWAXDEEK-NTMALXAHSA-N 1 2 349.409 4.360 20 30 EIEDLO COc1ccc(O)c(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)c1 ZINC000762600386 1045308908 /nfs/dbraw/zinc/30/89/08/1045308908.db2.gz NZGDMYHFRQJBCW-CSKARUKUSA-N 1 2 336.391 4.068 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1C#N ZINC000611522428 1045320685 /nfs/dbraw/zinc/32/06/85/1045320685.db2.gz JNDZEGMGFBZTGG-SFHVURJKSA-N 1 2 348.475 4.451 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2c2cccs2)c1C#N ZINC000611522428 1045320690 /nfs/dbraw/zinc/32/06/90/1045320690.db2.gz JNDZEGMGFBZTGG-SFHVURJKSA-N 1 2 348.475 4.451 20 30 EIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769334776 1045926182 /nfs/dbraw/zinc/92/61/82/1045926182.db2.gz GYDLAKNFQRMAJU-UHFFFAOYSA-N 1 2 346.475 4.190 20 30 EIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769334776 1045926191 /nfs/dbraw/zinc/92/61/91/1045926191.db2.gz GYDLAKNFQRMAJU-UHFFFAOYSA-N 1 2 346.475 4.190 20 30 EIEDLO COc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)cc1Cl ZINC000792641129 1046018224 /nfs/dbraw/zinc/01/82/24/1046018224.db2.gz HOWJPGJVXIERGW-UHFFFAOYSA-N 1 2 329.831 4.152 20 30 EIEDLO CCC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N(C)C)cc1 ZINC000769809346 1046080711 /nfs/dbraw/zinc/08/07/11/1046080711.db2.gz BEUKYGAYKORGEC-UHFFFAOYSA-N 1 2 347.260 4.136 20 30 EIEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769975367 1046117923 /nfs/dbraw/zinc/11/79/23/1046117923.db2.gz DSVRGOKBZCNVNM-NSHDSACASA-N 1 2 335.270 4.026 20 30 EIEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769975367 1046117931 /nfs/dbraw/zinc/11/79/31/1046117931.db2.gz DSVRGOKBZCNVNM-NSHDSACASA-N 1 2 335.270 4.026 20 30 EIEDLO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2C)c(C(F)(F)F)c1 ZINC000793098307 1046143748 /nfs/dbraw/zinc/14/37/48/1046143748.db2.gz KZKLABHMBPBZBC-UHFFFAOYSA-N 1 2 337.345 4.441 20 30 EIEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cnn1-c1ccccc1 ZINC000771847230 1046498463 /nfs/dbraw/zinc/49/84/63/1046498463.db2.gz GARNEELDOKQVON-MDZDMXLPSA-N 1 2 342.402 4.033 20 30 EIEDLO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(OCc2ccccc2)n1 ZINC000459480283 1046706123 /nfs/dbraw/zinc/70/61/23/1046706123.db2.gz OXZYUBHVUOBVFZ-UYAOXDASSA-N 1 2 335.451 4.059 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000459472949 1046719855 /nfs/dbraw/zinc/71/98/55/1046719855.db2.gz XFZMSUYMHZJUJJ-TWOQFEAHSA-N 1 2 349.434 4.088 20 30 EIEDLO C=C(Br)C[N@H+](CC)Cc1cccc(Br)c1 ZINC000746650626 1046931991 /nfs/dbraw/zinc/93/19/91/1046931991.db2.gz CVYRZGOVSOTOKJ-UHFFFAOYSA-N 1 2 333.067 4.180 20 30 EIEDLO C=C(Br)C[N@@H+](CC)Cc1cccc(Br)c1 ZINC000746650626 1046931975 /nfs/dbraw/zinc/93/19/75/1046931975.db2.gz CVYRZGOVSOTOKJ-UHFFFAOYSA-N 1 2 333.067 4.180 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000824502106 1047882724 /nfs/dbraw/zinc/88/27/24/1047882724.db2.gz FUXLFTBBJHWTLB-UHFFFAOYSA-N 1 2 327.403 4.385 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000824502106 1047882728 /nfs/dbraw/zinc/88/27/28/1047882728.db2.gz FUXLFTBBJHWTLB-UHFFFAOYSA-N 1 2 327.403 4.385 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000814294735 1047922376 /nfs/dbraw/zinc/92/23/76/1047922376.db2.gz SSVPOMGXNCHAMD-UHFFFAOYSA-N 1 2 339.395 4.126 20 30 EIEDLO CCC[N@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000155110437 1048166305 /nfs/dbraw/zinc/16/63/05/1048166305.db2.gz FGXNSPFVCBRDQR-UHFFFAOYSA-N 1 2 348.475 4.489 20 30 EIEDLO CCC[N@@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000155110437 1048166309 /nfs/dbraw/zinc/16/63/09/1048166309.db2.gz FGXNSPFVCBRDQR-UHFFFAOYSA-N 1 2 348.475 4.489 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001143731314 1048176141 /nfs/dbraw/zinc/17/61/41/1048176141.db2.gz SFGIKPJWSRUTEK-GOSISDBHSA-N 1 2 340.854 4.393 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001143731314 1048176155 /nfs/dbraw/zinc/17/61/55/1048176155.db2.gz SFGIKPJWSRUTEK-GOSISDBHSA-N 1 2 340.854 4.393 20 30 EIEDLO COc1ccc2nc(N[NH+]=C3CCCc4ccc(N)cc43)c(C)cc2c1 ZINC000814899396 1048223844 /nfs/dbraw/zinc/22/38/44/1048223844.db2.gz URPTWDCNXIWCRC-UHFFFAOYSA-N 1 2 346.434 4.287 20 30 EIEDLO N#CC(CC[N@@H+]1Cc2ccncc2C1)(c1ccccc1)c1ccccc1 ZINC000809565660 1048403992 /nfs/dbraw/zinc/40/39/92/1048403992.db2.gz NQCCVNSPCZPYGJ-UHFFFAOYSA-N 1 2 339.442 4.297 20 30 EIEDLO N#CC(CC[N@H+]1Cc2ccncc2C1)(c1ccccc1)c1ccccc1 ZINC000809565660 1048404007 /nfs/dbraw/zinc/40/40/07/1048404007.db2.gz NQCCVNSPCZPYGJ-UHFFFAOYSA-N 1 2 339.442 4.297 20 30 EIEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000920387141 1048663967 /nfs/dbraw/zinc/66/39/67/1048663967.db2.gz LVSBNCJMNOLWNC-OGTJOQQYSA-N 1 2 339.435 4.378 20 30 EIEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1Br ZINC001144590454 1048741118 /nfs/dbraw/zinc/74/11/18/1048741118.db2.gz ISQCAPSCMLODGL-DEZZGGKRSA-N 1 2 337.236 4.163 20 30 EIEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1Br ZINC001144590454 1048741131 /nfs/dbraw/zinc/74/11/31/1048741131.db2.gz ISQCAPSCMLODGL-DEZZGGKRSA-N 1 2 337.236 4.163 20 30 EIEDLO C=CCCCCCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001144798327 1048860021 /nfs/dbraw/zinc/86/00/21/1048860021.db2.gz LHCJCQRBXBXQCI-GOSISDBHSA-N 1 2 329.488 4.083 20 30 EIEDLO C=CCC[C@H](C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001132621025 1048953630 /nfs/dbraw/zinc/95/36/30/1048953630.db2.gz BVXIUSGSGCGIPX-LEWJYISDSA-N 1 2 334.463 4.039 20 30 EIEDLO C=CCC[C@H](C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001132621025 1048953645 /nfs/dbraw/zinc/95/36/45/1048953645.db2.gz BVXIUSGSGCGIPX-LEWJYISDSA-N 1 2 334.463 4.039 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccnc(Cl)c2Cl)C2CC2)cc1 ZINC000811453708 1049069728 /nfs/dbraw/zinc/06/97/28/1049069728.db2.gz AZTQPZFJCGQMFY-UHFFFAOYSA-N 1 2 332.234 4.425 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccnc(Cl)c2Cl)C2CC2)cc1 ZINC000811453708 1049069745 /nfs/dbraw/zinc/06/97/45/1049069745.db2.gz AZTQPZFJCGQMFY-UHFFFAOYSA-N 1 2 332.234 4.425 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccc(Cl)cc1 ZINC000811516808 1049103032 /nfs/dbraw/zinc/10/30/32/1049103032.db2.gz VLPBZEKVUXZYQL-GOSISDBHSA-N 1 2 336.822 4.361 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136342766 1049513037 /nfs/dbraw/zinc/51/30/37/1049513037.db2.gz CAQJAAVVGRQRCP-INIZCTEOSA-N 1 2 343.471 4.304 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000812794222 1049592881 /nfs/dbraw/zinc/59/28/81/1049592881.db2.gz VIGROFVNOTZZFX-MRXNPFEDSA-N 1 2 336.179 4.191 20 30 EIEDLO C[C@@H]1CN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 ZINC000823539394 1049855691 /nfs/dbraw/zinc/85/56/91/1049855691.db2.gz YJNRSVREBPGWDE-KLHFOMLHSA-N 1 2 327.472 4.185 20 30 EIEDLO CCCCCCC[C@@H](CCC)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001172509058 1049925132 /nfs/dbraw/zinc/92/51/32/1049925132.db2.gz RTZBPZQVDZNJAJ-RTBURBONSA-N 1 2 334.504 4.285 20 30 EIEDLO CCCC[C@@H]1C[C@H]([NH2+]C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001172627859 1049953474 /nfs/dbraw/zinc/95/34/74/1049953474.db2.gz RLOVVICIMRLKRQ-IAGOWNOFSA-N 1 2 349.519 4.371 20 30 EIEDLO Fc1ccccc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618449641 1050386494 /nfs/dbraw/zinc/38/64/94/1050386494.db2.gz TYQDEOKLLIIVQR-QWRGUYRKSA-N 1 2 329.259 4.388 20 30 EIEDLO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000618584737 1050420718 /nfs/dbraw/zinc/42/07/18/1050420718.db2.gz KZTKNZYCBUTJKQ-GOSISDBHSA-N 1 2 345.450 4.268 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182615185 1050767154 /nfs/dbraw/zinc/76/71/54/1050767154.db2.gz YIQIYLHUHDKNOC-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182615185 1050767164 /nfs/dbraw/zinc/76/71/64/1050767164.db2.gz YIQIYLHUHDKNOC-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccc4)c[nH]3)CC2)cc1 ZINC001180133179 1050881910 /nfs/dbraw/zinc/88/19/10/1050881910.db2.gz QUGOUGHUMJPLOI-UHFFFAOYSA-N 1 2 340.430 4.238 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)CC2)cc1 ZINC001180133179 1050881926 /nfs/dbraw/zinc/88/19/26/1050881926.db2.gz QUGOUGHUMJPLOI-UHFFFAOYSA-N 1 2 340.430 4.238 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@H+](CCOC)Cc1ccccc1 ZINC001180496995 1051021132 /nfs/dbraw/zinc/02/11/32/1051021132.db2.gz AISIROICYKVOGR-UHFFFAOYSA-N 1 2 343.854 4.001 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@@H+](CCOC)Cc1ccccc1 ZINC001180496995 1051021142 /nfs/dbraw/zinc/02/11/42/1051021142.db2.gz AISIROICYKVOGR-UHFFFAOYSA-N 1 2 343.854 4.001 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc(CC)cc2)no1)c1ccccc1 ZINC000775401387 1051237967 /nfs/dbraw/zinc/23/79/67/1051237967.db2.gz ZRJQDTPHFMTNOW-IBGZPJMESA-N 1 2 331.419 4.153 20 30 EIEDLO C#CC[N@@H+](Cc1c(C)nc2scc(C3CC3)n12)Cc1ccccc1 ZINC001181638938 1051261712 /nfs/dbraw/zinc/26/17/12/1051261712.db2.gz XFDHSQBENYCQIZ-UHFFFAOYSA-N 1 2 335.476 4.217 20 30 EIEDLO C#CC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)Cc1ccccc1 ZINC001181638938 1051261726 /nfs/dbraw/zinc/26/17/26/1051261726.db2.gz XFDHSQBENYCQIZ-UHFFFAOYSA-N 1 2 335.476 4.217 20 30 EIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001190792634 1051280075 /nfs/dbraw/zinc/28/00/75/1051280075.db2.gz WJXIDNZZIQOPGG-FQEVSTJZSA-N 1 2 342.389 4.027 20 30 EIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001190792634 1051280087 /nfs/dbraw/zinc/28/00/87/1051280087.db2.gz WJXIDNZZIQOPGG-FQEVSTJZSA-N 1 2 342.389 4.027 20 30 EIEDLO CCc1ccc(N2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC001191349631 1051425122 /nfs/dbraw/zinc/42/51/22/1051425122.db2.gz DCWNVPRILUTPPC-UHFFFAOYSA-N 1 2 339.870 4.096 20 30 EIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775460009 1051470408 /nfs/dbraw/zinc/47/04/08/1051470408.db2.gz RFKJUMQTMRQRHI-GFCCVEGCSA-N 1 2 348.805 4.241 20 30 EIEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccco2)cc1 ZINC001182398347 1051529383 /nfs/dbraw/zinc/52/93/83/1051529383.db2.gz RBLJPCBMZYGBMM-HXUWFJFHSA-N 1 2 336.366 4.178 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352865 1051543850 /nfs/dbraw/zinc/54/38/50/1051543850.db2.gz UPIBDKQSCPVIDW-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c2ccccc12 ZINC001175712845 1051732392 /nfs/dbraw/zinc/73/23/92/1051732392.db2.gz UJFDFUQOHSGCNF-UHFFFAOYSA-N 1 2 328.297 4.451 20 30 EIEDLO N#Cc1ccc2ccccc2c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713069 1051734547 /nfs/dbraw/zinc/73/45/47/1051734547.db2.gz ZQTIWDSZPSTUDC-UHFFFAOYSA-N 1 2 328.297 4.451 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183311566 1051822877 /nfs/dbraw/zinc/82/28/77/1051822877.db2.gz DQYSJQGDADUBOZ-CZUORRHYSA-N 1 2 343.389 4.124 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000774621061 1051832464 /nfs/dbraw/zinc/83/24/64/1051832464.db2.gz FEZYRRMKSREMIS-KGLIPLIRSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000774621061 1051832467 /nfs/dbraw/zinc/83/24/67/1051832467.db2.gz FEZYRRMKSREMIS-KGLIPLIRSA-N 1 2 348.541 4.406 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001192952993 1051836896 /nfs/dbraw/zinc/83/68/96/1051836896.db2.gz FEEDFGGTLKFVLC-AWEZNQCLSA-N 1 2 334.439 4.022 20 30 EIEDLO Cc1ccccc1C([NH2+]Cc1ccncc1C#N)c1ccccc1C ZINC001193142219 1051879925 /nfs/dbraw/zinc/87/99/25/1051879925.db2.gz SSXLCVAHYBSQGZ-UHFFFAOYSA-N 1 2 327.431 4.449 20 30 EIEDLO COc1ccc(Br)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001203779105 1051926701 /nfs/dbraw/zinc/92/67/01/1051926701.db2.gz MYQDPEGGPVJFOC-UHFFFAOYSA-N 1 2 337.261 4.116 20 30 EIEDLO COc1ccc(Br)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001203779105 1051926709 /nfs/dbraw/zinc/92/67/09/1051926709.db2.gz MYQDPEGGPVJFOC-UHFFFAOYSA-N 1 2 337.261 4.116 20 30 EIEDLO C=CCCCCC[N@@H+](CC(=O)OC)Cc1ccc(C(F)(F)F)cc1 ZINC001193625560 1051957303 /nfs/dbraw/zinc/95/73/03/1051957303.db2.gz ASJOAMPBDLNGDJ-UHFFFAOYSA-N 1 2 343.389 4.427 20 30 EIEDLO C=CCCCCC[N@H+](CC(=O)OC)Cc1ccc(C(F)(F)F)cc1 ZINC001193625560 1051957311 /nfs/dbraw/zinc/95/73/11/1051957311.db2.gz ASJOAMPBDLNGDJ-UHFFFAOYSA-N 1 2 343.389 4.427 20 30 EIEDLO CCC#C[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001194212682 1052105598 /nfs/dbraw/zinc/10/55/98/1052105598.db2.gz FEEAGNDUQGDJCC-CYBMUJFWSA-N 1 2 344.808 4.283 20 30 EIEDLO N#Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1Br ZINC001184965521 1052134557 /nfs/dbraw/zinc/13/45/57/1052134557.db2.gz WTJHVLQVGNYUQZ-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc(F)c(C#N)c2)cc[nH+]1 ZINC001176610874 1052138025 /nfs/dbraw/zinc/13/80/25/1052138025.db2.gz LTJZGSIJCYKGSH-UHFFFAOYSA-N 1 2 328.347 4.183 20 30 EIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C(F)(F)F)c1 ZINC001176750393 1052181295 /nfs/dbraw/zinc/18/12/95/1052181295.db2.gz FKUNEMAJPXXUIB-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000185085009 1053013117 /nfs/dbraw/zinc/01/31/17/1053013117.db2.gz IMYHBJWFAOQRMB-ZDUSSCGKSA-N 1 2 347.509 4.101 20 30 EIEDLO CC(C)[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)[NH+]1CCCCC1 ZINC000797570643 1053346362 /nfs/dbraw/zinc/34/63/62/1053346362.db2.gz IRNDFOQQJDRKFT-GDBMZVCRSA-N 1 2 347.528 4.127 20 30 EIEDLO Cc1ccc(C)c2c1CC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794715904 1053350041 /nfs/dbraw/zinc/35/00/41/1053350041.db2.gz ZKFFAJQICPMOIA-ZROIWOOFSA-N 1 2 326.465 4.034 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000764879180 1053354456 /nfs/dbraw/zinc/35/44/56/1053354456.db2.gz OQRMDOJHWCXSGH-UHFFFAOYSA-N 1 2 336.530 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)CCCC)c1=S ZINC000764879180 1053354474 /nfs/dbraw/zinc/35/44/74/1053354474.db2.gz OQRMDOJHWCXSGH-UHFFFAOYSA-N 1 2 336.530 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914448 1053369869 /nfs/dbraw/zinc/36/98/69/1053369869.db2.gz HXAHMAAWYCPINK-CQSZACIVSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764914448 1053369889 /nfs/dbraw/zinc/36/98/89/1053369889.db2.gz HXAHMAAWYCPINK-CQSZACIVSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765027297 1053418475 /nfs/dbraw/zinc/41/84/75/1053418475.db2.gz GZTWCGACDIGJEU-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765027297 1053418481 /nfs/dbraw/zinc/41/84/81/1053418481.db2.gz GZTWCGACDIGJEU-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000852101831 1053547900 /nfs/dbraw/zinc/54/79/00/1053547900.db2.gz UUZFYHQGJVHYQN-IBGZPJMESA-N 1 2 341.480 4.028 20 30 EIEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000852101832 1053551453 /nfs/dbraw/zinc/55/14/53/1053551453.db2.gz UUZFYHQGJVHYQN-LJQANCHMSA-N 1 2 341.480 4.028 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852318830 1053567679 /nfs/dbraw/zinc/56/76/79/1053567679.db2.gz CEQQBIFDIHVTKG-QGZVFWFLSA-N 1 2 342.874 4.019 20 30 EIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852318830 1053567688 /nfs/dbraw/zinc/56/76/88/1053567688.db2.gz CEQQBIFDIHVTKG-QGZVFWFLSA-N 1 2 342.874 4.019 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331917 1053570022 /nfs/dbraw/zinc/57/00/22/1053570022.db2.gz DTQBHOSEOXZGNG-AZUAARDMSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852331917 1053570034 /nfs/dbraw/zinc/57/00/34/1053570034.db2.gz DTQBHOSEOXZGNG-AZUAARDMSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000852330217 1053570087 /nfs/dbraw/zinc/57/00/87/1053570087.db2.gz BZWQPDLMHUVDMX-FPOVZHCZSA-N 1 2 335.426 4.155 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000852330217 1053570095 /nfs/dbraw/zinc/57/00/95/1053570095.db2.gz BZWQPDLMHUVDMX-FPOVZHCZSA-N 1 2 335.426 4.155 20 30 EIEDLO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852711215 1053604365 /nfs/dbraw/zinc/60/43/65/1053604365.db2.gz CXHOWESYPUSDNZ-RRFJBIMHSA-N 1 2 341.480 4.126 20 30 EIEDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001196166022 1053606048 /nfs/dbraw/zinc/60/60/48/1053606048.db2.gz IOGVLRRUXCVTPF-UHFFFAOYSA-N 1 2 327.359 4.018 20 30 EIEDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001196166022 1053606057 /nfs/dbraw/zinc/60/60/57/1053606057.db2.gz IOGVLRRUXCVTPF-UHFFFAOYSA-N 1 2 327.359 4.018 20 30 EIEDLO C[C@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1O ZINC000866254152 1053665529 /nfs/dbraw/zinc/66/55/29/1053665529.db2.gz MNJDRKHQBIVAKK-HNNXBMFYSA-N 1 2 338.451 4.430 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2OC)oc1=S ZINC000853599898 1053689228 /nfs/dbraw/zinc/68/92/28/1053689228.db2.gz XZOBXTVDHLMQMP-OKILXGFUSA-N 1 2 343.452 4.022 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2OC)oc1=S ZINC000853599898 1053689232 /nfs/dbraw/zinc/68/92/32/1053689232.db2.gz XZOBXTVDHLMQMP-OKILXGFUSA-N 1 2 343.452 4.022 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001196622968 1053715138 /nfs/dbraw/zinc/71/51/38/1053715138.db2.gz MZKIRMPDVJDXCY-UHFFFAOYSA-N 1 2 347.393 4.105 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001196622968 1053715151 /nfs/dbraw/zinc/71/51/51/1053715151.db2.gz MZKIRMPDVJDXCY-UHFFFAOYSA-N 1 2 347.393 4.105 20 30 EIEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)ccc1F ZINC000765615478 1053814262 /nfs/dbraw/zinc/81/42/62/1053814262.db2.gz GGVKZNWXRVBWEA-GQCTYLIASA-N 1 2 330.746 4.032 20 30 EIEDLO C=CCSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000776798145 1053885814 /nfs/dbraw/zinc/88/58/14/1053885814.db2.gz GWCOVCFEOAEGGU-UHFFFAOYSA-N 1 2 349.459 4.080 20 30 EIEDLO CC#CC[N@H+](C)[C@H](c1ccccc1)c1ccccc1Br ZINC001197532088 1053924258 /nfs/dbraw/zinc/92/42/58/1053924258.db2.gz JKARETFXJMKFOM-GOSISDBHSA-N 1 2 328.253 4.494 20 30 EIEDLO CC#CC[N@@H+](C)[C@H](c1ccccc1)c1ccccc1Br ZINC001197532088 1053924267 /nfs/dbraw/zinc/92/42/67/1053924267.db2.gz JKARETFXJMKFOM-GOSISDBHSA-N 1 2 328.253 4.494 20 30 EIEDLO C[C@@H]1Cc2[nH]ncc2C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785139 1053994892 /nfs/dbraw/zinc/99/48/92/1053994892.db2.gz BDMJMIQORWKTMT-MRXNPFEDSA-N 1 2 342.446 4.143 20 30 EIEDLO COc1cc(C)[nH+]c(CSCc2cc(Cl)ccc2OCC#N)c1 ZINC000776892868 1054097575 /nfs/dbraw/zinc/09/75/75/1054097575.db2.gz ITDQRMIKPODOQA-UHFFFAOYSA-N 1 2 348.855 4.388 20 30 EIEDLO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(C#N)c(F)c1 ZINC001198742606 1054239962 /nfs/dbraw/zinc/23/99/62/1054239962.db2.gz OBGZJTMHHJPWCW-ZDUSSCGKSA-N 1 2 343.471 4.301 20 30 EIEDLO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(C#N)c(F)c1 ZINC001198742606 1054239975 /nfs/dbraw/zinc/23/99/75/1054239975.db2.gz OBGZJTMHHJPWCW-ZDUSSCGKSA-N 1 2 343.471 4.301 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC001199403171 1054406474 /nfs/dbraw/zinc/40/64/74/1054406474.db2.gz JUMSFSBLCPWCAR-HIFRSBDPSA-N 1 2 329.827 4.358 20 30 EIEDLO COc1c(C)c[nH+]c(CNc2cccc(OCCCC#N)c2)c1C ZINC000876822994 1054967106 /nfs/dbraw/zinc/96/71/06/1054967106.db2.gz UJYLFAILZRUBHS-UHFFFAOYSA-N 1 2 325.412 4.002 20 30 EIEDLO Cc1c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccnc1F ZINC000862231250 1055031819 /nfs/dbraw/zinc/03/18/19/1055031819.db2.gz RXXVGKPRMRXIJL-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO Cc1c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccnc1F ZINC000862231250 1055031834 /nfs/dbraw/zinc/03/18/34/1055031834.db2.gz RXXVGKPRMRXIJL-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Br ZINC000878005714 1055172917 /nfs/dbraw/zinc/17/29/17/1055172917.db2.gz UYTUEPNHWYDVEH-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Br ZINC000878005714 1055172919 /nfs/dbraw/zinc/17/29/19/1055172919.db2.gz UYTUEPNHWYDVEH-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000091334081 1056026325 /nfs/dbraw/zinc/02/63/25/1056026325.db2.gz QXFKTHOQMWERTE-NSHDSACASA-N 1 2 342.805 4.088 20 30 EIEDLO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000921806425 1056603177 /nfs/dbraw/zinc/60/31/77/1056603177.db2.gz FDPOPRADLWRFBZ-SNVBAGLBSA-N 1 2 331.388 4.336 20 30 EIEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1[N+](=O)[O-] ZINC000737443151 1058335496 /nfs/dbraw/zinc/33/54/96/1058335496.db2.gz HQAHFHOSOWWUOK-AATRIKPKSA-N 1 2 341.754 4.100 20 30 EIEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1O ZINC000743045644 1058849287 /nfs/dbraw/zinc/84/92/87/1058849287.db2.gz RTGFLABQRMPUGF-ZGYKXIANSA-N 1 2 339.435 4.296 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291899 1060749569 /nfs/dbraw/zinc/74/95/69/1060749569.db2.gz CETQKMJZFDYVJX-QLOJAFMTSA-N 1 2 328.456 4.073 20 30 EIEDLO COc1ccc(C(N)=[NH+]OCc2nc(C3CCCCC3)cs2)cc1 ZINC000766691297 1060812627 /nfs/dbraw/zinc/81/26/27/1060812627.db2.gz KYWSDFOIULVQCR-UHFFFAOYSA-N 1 2 345.468 4.037 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000098068880 219077485 /nfs/dbraw/zinc/07/74/85/219077485.db2.gz XLQMXROKLDBJPU-UHFFFAOYSA-N 1 2 339.464 4.050 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000098068880 219077487 /nfs/dbraw/zinc/07/74/87/219077487.db2.gz XLQMXROKLDBJPU-UHFFFAOYSA-N 1 2 339.464 4.050 20 30 EIEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000057875321 1032108668 /nfs/dbraw/zinc/10/86/68/1032108668.db2.gz DDGVYOSDMMVZAL-UHFFFAOYSA-N 1 2 341.842 4.050 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c(F)c1 ZINC000532987696 1032427030 /nfs/dbraw/zinc/42/70/30/1032427030.db2.gz LRCXHVXUEOFSDE-CQSZACIVSA-N 1 2 337.181 4.227 20 30 EIEDLO C#CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001167178938 1020489154 /nfs/dbraw/zinc/48/91/54/1020489154.db2.gz PSIWREFZXDAXOA-IBGZPJMESA-N 1 2 340.810 4.371 20 30 EIEDLO C#CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001167178938 1020489161 /nfs/dbraw/zinc/48/91/61/1020489161.db2.gz PSIWREFZXDAXOA-IBGZPJMESA-N 1 2 340.810 4.371 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2c1 ZINC000255169683 1021659870 /nfs/dbraw/zinc/65/98/70/1021659870.db2.gz VUENBAVQLSFGJI-XQRVVYSFSA-N 1 2 341.754 4.100 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)c(F)c(F)c1 ZINC000580740487 1022441161 /nfs/dbraw/zinc/44/11/61/1022441161.db2.gz QLLRHFAYQBRCKW-UHFFFAOYSA-N 1 2 337.389 4.460 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)c(F)c(F)c1 ZINC000580740487 1022441171 /nfs/dbraw/zinc/44/11/71/1022441171.db2.gz QLLRHFAYQBRCKW-UHFFFAOYSA-N 1 2 337.389 4.460 20 30 EIEDLO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(C(F)(F)F)c1 ZINC001143473294 1022730192 /nfs/dbraw/zinc/73/01/92/1022730192.db2.gz MBEYOYXCLCBQRD-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C(F)(F)F)c1 ZINC001143473294 1022730215 /nfs/dbraw/zinc/73/02/15/1022730215.db2.gz MBEYOYXCLCBQRD-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)c1 ZINC000378504074 1022846987 /nfs/dbraw/zinc/84/69/87/1022846987.db2.gz BBWQOMZPXKDAGJ-LSDHHAIUSA-N 1 2 332.407 4.329 20 30 EIEDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000376812605 1023318324 /nfs/dbraw/zinc/31/83/24/1023318324.db2.gz YSVNSCVFSJDLGW-SFHVURJKSA-N 1 2 332.407 4.191 20 30 EIEDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000376812605 1023318333 /nfs/dbraw/zinc/31/83/33/1023318333.db2.gz YSVNSCVFSJDLGW-SFHVURJKSA-N 1 2 332.407 4.191 20 30 EIEDLO C=C(Cl)C[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000728686944 1023383490 /nfs/dbraw/zinc/38/34/90/1023383490.db2.gz YYZFWYPLJGCMEB-UHFFFAOYSA-N 1 2 331.843 4.459 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2c1 ZINC000588421536 1023501521 /nfs/dbraw/zinc/50/15/21/1023501521.db2.gz STVVIVBERIEPIZ-XQRVVYSFSA-N 1 2 341.754 4.100 20 30 EIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000418144749 1023564677 /nfs/dbraw/zinc/56/46/77/1023564677.db2.gz VFBDKIWZWFGCMX-UHFFFAOYSA-N 1 2 345.786 4.292 20 30 EIEDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnc1F ZINC000891770713 1023967320 /nfs/dbraw/zinc/96/73/20/1023967320.db2.gz MQIWMNNDTGHQHJ-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnc1F ZINC000891770713 1023967332 /nfs/dbraw/zinc/96/73/32/1023967332.db2.gz MQIWMNNDTGHQHJ-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO CC1CCC(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000342013768 1025037043 /nfs/dbraw/zinc/03/70/43/1025037043.db2.gz UMNTYGPMDGXCEM-UHFFFAOYSA-N 1 2 330.447 4.257 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000535840826 1025106106 /nfs/dbraw/zinc/10/61/06/1025106106.db2.gz BOVXPWGSXZBZTN-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000535840826 1025106109 /nfs/dbraw/zinc/10/61/09/1025106109.db2.gz BOVXPWGSXZBZTN-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994818 1025242031 /nfs/dbraw/zinc/24/20/31/1025242031.db2.gz NFWGEICKPHJBEM-HXUWFJFHSA-N 1 2 345.450 4.221 20 30 EIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994818 1025242049 /nfs/dbraw/zinc/24/20/49/1025242049.db2.gz NFWGEICKPHJBEM-HXUWFJFHSA-N 1 2 345.450 4.221 20 30 EIEDLO N#Cc1sccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001270613535 1025830022 /nfs/dbraw/zinc/83/00/22/1025830022.db2.gz QZWQWHFNSSLMKO-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432425834 1025921729 /nfs/dbraw/zinc/92/17/29/1025921729.db2.gz OCCVXSACSFWNJJ-UHFFFAOYSA-N 1 2 344.777 4.040 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1OC ZINC000512191840 1026322668 /nfs/dbraw/zinc/32/26/68/1026322668.db2.gz BALTVBYBITXNBN-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1OC ZINC000512191840 1026322680 /nfs/dbraw/zinc/32/26/80/1026322680.db2.gz BALTVBYBITXNBN-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550239648 1026394013 /nfs/dbraw/zinc/39/40/13/1026394013.db2.gz YXGKOQRTBMWBQF-WBMJQRKESA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550239648 1026394029 /nfs/dbraw/zinc/39/40/29/1026394029.db2.gz YXGKOQRTBMWBQF-WBMJQRKESA-N 1 2 326.362 4.051 20 30 EIEDLO C=C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000638746860 1026516054 /nfs/dbraw/zinc/51/60/54/1026516054.db2.gz DMQAMIKJTRYJOA-CQSZACIVSA-N 1 2 329.469 4.109 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1Br ZINC000507247605 1026721492 /nfs/dbraw/zinc/72/14/92/1026721492.db2.gz PHANGTAKYSZDGS-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1Br ZINC000507247605 1026721501 /nfs/dbraw/zinc/72/15/01/1026721501.db2.gz PHANGTAKYSZDGS-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000479517159 1026829541 /nfs/dbraw/zinc/82/95/41/1026829541.db2.gz WCDCXODRQHWDCE-MEDUHNTESA-N 1 2 335.234 4.249 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)o1 ZINC000158634160 1026861911 /nfs/dbraw/zinc/86/19/11/1026861911.db2.gz FKIGRADYLISIHY-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)o1 ZINC000158634160 1026861913 /nfs/dbraw/zinc/86/19/13/1026861913.db2.gz FKIGRADYLISIHY-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1cccc(C#N)c1 ZINC000046518027 1026902546 /nfs/dbraw/zinc/90/25/46/1026902546.db2.gz GGMKWMSDCQWKJU-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1cccc(C#N)c1 ZINC000046518027 1026902556 /nfs/dbraw/zinc/90/25/56/1026902556.db2.gz GGMKWMSDCQWKJU-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000441191042 1027339733 /nfs/dbraw/zinc/33/97/33/1027339733.db2.gz UOHMZBBLDUVSGK-UHFFFAOYSA-N 1 2 333.229 4.278 20 30 EIEDLO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CCC1(F)F ZINC001141894609 1027493230 /nfs/dbraw/zinc/49/32/30/1027493230.db2.gz OCBPPTCZHQDWKA-LLVKDONJSA-N 1 2 343.215 4.188 20 30 EIEDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CCC1(F)F ZINC001141894609 1027493236 /nfs/dbraw/zinc/49/32/36/1027493236.db2.gz OCBPPTCZHQDWKA-LLVKDONJSA-N 1 2 343.215 4.188 20 30 EIEDLO Cc1cc(C)c(NC(=O)N[C@H](c2ncccc2C)C(C)C)c(C)[nH+]1 ZINC000331244623 1027946287 /nfs/dbraw/zinc/94/62/87/1027946287.db2.gz SWPBEMIHBHTTJX-INIZCTEOSA-N 1 2 326.444 4.433 20 30 EIEDLO Cc1c(N[NH+]=Cc2c(F)cccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000727973355 1027963829 /nfs/dbraw/zinc/96/38/29/1027963829.db2.gz YQTBVTCCHCWEMK-UHFFFAOYSA-N 1 2 342.374 4.089 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000523638869 1028291099 /nfs/dbraw/zinc/29/10/99/1028291099.db2.gz IXPLCAFUBGIHPJ-AUUYWEPGSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000523638869 1028291119 /nfs/dbraw/zinc/29/11/19/1028291119.db2.gz IXPLCAFUBGIHPJ-AUUYWEPGSA-N 1 2 326.827 4.174 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCO1 ZINC000330334996 1028537982 /nfs/dbraw/zinc/53/79/82/1028537982.db2.gz RCEZOYVEYCSROD-BMGDNIKJSA-N 1 2 345.487 4.203 20 30 EIEDLO Cc1cccc(CCCNc2c(C#N)cnc3c(F)cc(F)cc32)[nH+]1 ZINC000343245790 1028786559 /nfs/dbraw/zinc/78/65/59/1028786559.db2.gz GVWGAOFWPDEANE-UHFFFAOYSA-N 1 2 338.361 4.133 20 30 EIEDLO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1F ZINC000583657184 1029007251 /nfs/dbraw/zinc/00/72/51/1029007251.db2.gz CLYYCEVHLXHNBC-LLVKDONJSA-N 1 2 342.805 4.088 20 30 EIEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1CCC[C@@H]1C#N ZINC000329426806 1029159832 /nfs/dbraw/zinc/15/98/32/1029159832.db2.gz JAYHUEJWXNMFPE-VQIMIIECSA-N 1 2 340.471 4.394 20 30 EIEDLO Cc1cc2[nH]c(CNc3[nH+]cccc3OCCCC#N)cc2c(C)c1 ZINC000358428083 1029281214 /nfs/dbraw/zinc/28/12/14/1029281214.db2.gz LRIBWFDRNXRTRW-UHFFFAOYSA-N 1 2 334.423 4.474 20 30 EIEDLO N#CCC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000584125096 1029632285 /nfs/dbraw/zinc/63/22/85/1029632285.db2.gz CXTJBAUXAQKUME-UHFFFAOYSA-N 1 2 348.219 4.266 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1noc(-c2cncc(C)c2)n1)c1ccccc1 ZINC000450683457 1029896704 /nfs/dbraw/zinc/89/67/04/1029896704.db2.gz SJVOSGBGWONLDT-SFHVURJKSA-N 1 2 334.423 4.237 20 30 EIEDLO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181628725 1029902928 /nfs/dbraw/zinc/90/29/28/1029902928.db2.gz QOJPVHXSZPAJGE-KXBFYZLASA-N 1 2 349.459 4.486 20 30 EIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184008596 1030034563 /nfs/dbraw/zinc/03/45/63/1030034563.db2.gz SHNPQRLGMPGHCT-MRXNPFEDSA-N 1 2 340.389 4.409 20 30 EIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184008596 1030034580 /nfs/dbraw/zinc/03/45/80/1030034580.db2.gz SHNPQRLGMPGHCT-MRXNPFEDSA-N 1 2 340.389 4.409 20 30 EIEDLO N#CC1(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)CCC1 ZINC000451295958 1030380715 /nfs/dbraw/zinc/38/07/15/1030380715.db2.gz OJMOXVBJXJFXPA-UHFFFAOYSA-N 1 2 329.391 4.035 20 30 EIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc1OC ZINC000189935209 1030523327 /nfs/dbraw/zinc/52/33/27/1030523327.db2.gz ASFNBIDAFWDKIO-QGZVFWFLSA-N 1 2 344.480 4.362 20 30 EIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc1OC ZINC000189935209 1030523341 /nfs/dbraw/zinc/52/33/41/1030523341.db2.gz ASFNBIDAFWDKIO-QGZVFWFLSA-N 1 2 344.480 4.362 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448273269 1030688210 /nfs/dbraw/zinc/68/82/10/1030688210.db2.gz XWPKQPQPNXKXMT-HLAWJBBLSA-N 1 2 326.484 4.183 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448273269 1030688228 /nfs/dbraw/zinc/68/82/28/1030688228.db2.gz XWPKQPQPNXKXMT-HLAWJBBLSA-N 1 2 326.484 4.183 20 30 EIEDLO CCOc1cc2[nH+]ccc(N3CCC[C@](C)(C#N)C3)c2cc1OCC ZINC000612108705 1030880251 /nfs/dbraw/zinc/88/02/51/1030880251.db2.gz QKTPELDPQBOXKV-HXUWFJFHSA-N 1 2 339.439 4.162 20 30 EIEDLO Cc1cccn2cc(CCNc3cc(C#N)ccc3C(F)(F)F)[nH+]c12 ZINC000610889625 1031067422 /nfs/dbraw/zinc/06/74/22/1031067422.db2.gz ADNHHOITTNLEGW-UHFFFAOYSA-N 1 2 344.340 4.188 20 30 EIEDLO Fc1ccc2c(c1)CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001168251888 1031524776 /nfs/dbraw/zinc/52/47/76/1031524776.db2.gz DUVDETYKXUBOBO-UHFFFAOYSA-N 1 2 349.327 4.134 20 30 EIEDLO Fc1ccc2c(c1)CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001168251888 1031524781 /nfs/dbraw/zinc/52/47/81/1031524781.db2.gz DUVDETYKXUBOBO-UHFFFAOYSA-N 1 2 349.327 4.134 20 30 EIEDLO Fc1ccc2c(c1)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC001168252874 1031546913 /nfs/dbraw/zinc/54/69/13/1031546913.db2.gz UPFYDJMKFKPLOC-UHFFFAOYSA-N 1 2 333.328 4.254 20 30 EIEDLO Fc1ccc2c(c1)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC001168252874 1031546929 /nfs/dbraw/zinc/54/69/29/1031546929.db2.gz UPFYDJMKFKPLOC-UHFFFAOYSA-N 1 2 333.328 4.254 20 30 EIEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(Br)cc1F ZINC000528633165 1031710890 /nfs/dbraw/zinc/71/08/90/1031710890.db2.gz FFZXMNXESDVQRI-SECBINFHSA-N 1 2 329.188 4.072 20 30 EIEDLO CCOc1ccc(/C=[NH+]\CCc2nc(C(C)(C)C)cs2)c(O)c1 ZINC000729641421 1031825422 /nfs/dbraw/zinc/82/54/22/1031825422.db2.gz HRRBGNQDOLGFCB-ODLFYWEKSA-N 1 2 332.469 4.207 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000459363905 1031948572 /nfs/dbraw/zinc/94/85/72/1031948572.db2.gz IUKMYWWTUFJARG-UHFFFAOYSA-N 1 2 339.370 4.165 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000397791541 1034486811 /nfs/dbraw/zinc/48/68/11/1034486811.db2.gz ZPQSJQMIPDVIRB-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000397791541 1034486825 /nfs/dbraw/zinc/48/68/25/1034486825.db2.gz ZPQSJQMIPDVIRB-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1F ZINC000513087722 1034523008 /nfs/dbraw/zinc/52/30/08/1034523008.db2.gz CPLYKZUYOIBZJU-LLVKDONJSA-N 1 2 333.204 4.311 20 30 EIEDLO C=CCOc1cccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000513439925 1034947240 /nfs/dbraw/zinc/94/72/40/1034947240.db2.gz RKKNNCWBCFPYIA-UHFFFAOYSA-N 1 2 333.435 4.177 20 30 EIEDLO C=CCOc1cccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000513439925 1034947247 /nfs/dbraw/zinc/94/72/47/1034947247.db2.gz RKKNNCWBCFPYIA-UHFFFAOYSA-N 1 2 333.435 4.177 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2ccccc2o1 ZINC000182629473 1034964609 /nfs/dbraw/zinc/96/46/09/1034964609.db2.gz LPCDGRQQGGMAQF-ZDUSSCGKSA-N 1 2 344.374 4.205 20 30 EIEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280312027 1035229024 /nfs/dbraw/zinc/22/90/24/1035229024.db2.gz UIWRBKKTAGKMNY-KRWDZBQOSA-N 1 2 342.443 4.295 20 30 EIEDLO N#CC1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CCCCC1 ZINC000594981607 1035515712 /nfs/dbraw/zinc/51/57/12/1035515712.db2.gz RZNYZRGZABBICY-UHFFFAOYSA-N 1 2 327.453 4.389 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(C(C)C)cc1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000595578032 1035700484 /nfs/dbraw/zinc/70/04/84/1035700484.db2.gz BPLDODMQYRPNDW-LJQANCHMSA-N 1 2 349.540 4.109 20 30 EIEDLO C=CC[N@H+](Cc1ccc(C(C)C)cc1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000595578032 1035700500 /nfs/dbraw/zinc/70/05/00/1035700500.db2.gz BPLDODMQYRPNDW-LJQANCHMSA-N 1 2 349.540 4.109 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674482 1035763842 /nfs/dbraw/zinc/76/38/42/1035763842.db2.gz JRNKDUSNWWXWRF-KXBFYZLASA-N 1 2 349.434 4.096 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674482 1035763876 /nfs/dbraw/zinc/76/38/76/1035763876.db2.gz JRNKDUSNWWXWRF-KXBFYZLASA-N 1 2 349.434 4.096 20 30 EIEDLO C=C(C)[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(F)c(F)c1 ZINC000420839733 1035845954 /nfs/dbraw/zinc/84/59/54/1035845954.db2.gz TXJHQONWCJNQKE-GOSISDBHSA-N 1 2 345.393 4.093 20 30 EIEDLO CC(C)C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000602162570 1036346521 /nfs/dbraw/zinc/34/65/21/1036346521.db2.gz YMNGURUZZAUEQC-RBUKOAKNSA-N 1 2 338.455 4.022 20 30 EIEDLO C[C@@H](CCC#N)CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000602495230 1036469147 /nfs/dbraw/zinc/46/91/47/1036469147.db2.gz KBEYQODHASZUQY-HNNXBMFYSA-N 1 2 328.485 4.127 20 30 EIEDLO C[C@@H](CCC#N)CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000602495230 1036469157 /nfs/dbraw/zinc/46/91/57/1036469157.db2.gz KBEYQODHASZUQY-HNNXBMFYSA-N 1 2 328.485 4.127 20 30 EIEDLO CC[C@@](C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602925015 1036668974 /nfs/dbraw/zinc/66/89/74/1036668974.db2.gz UDSWJIBXCVBVBW-GOSISDBHSA-N 1 2 327.359 4.021 20 30 EIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000907907772 1036761315 /nfs/dbraw/zinc/76/13/15/1036761315.db2.gz VCERTHDQNCBWHR-SGHGTVFPSA-N 1 2 334.423 4.044 20 30 EIEDLO Cc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1Br ZINC000589823052 1036882794 /nfs/dbraw/zinc/88/27/94/1036882794.db2.gz XITYTYCUIWNOLX-UHFFFAOYSA-N 1 2 333.204 4.058 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)CC(C)(C)C#N)o2)cc1 ZINC000590371847 1037052809 /nfs/dbraw/zinc/05/28/09/1037052809.db2.gz ACUFEDQRJKMGSP-UHFFFAOYSA-N 1 2 340.423 4.105 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)CC(C)(C)C#N)o2)cc1 ZINC000590371847 1037052828 /nfs/dbraw/zinc/05/28/28/1037052828.db2.gz ACUFEDQRJKMGSP-UHFFFAOYSA-N 1 2 340.423 4.105 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1c(F)cccc1Cl ZINC000175020502 1037455991 /nfs/dbraw/zinc/45/59/91/1037455991.db2.gz WRPGDGQMSAGAKR-NEPJUHHUSA-N 1 2 345.805 4.029 20 30 EIEDLO C=C[C@H]1CCCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000488953293 1037816010 /nfs/dbraw/zinc/81/60/10/1037816010.db2.gz MFOMTDBXCFUXSZ-KRWDZBQOSA-N 1 2 348.450 4.174 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000489462614 1038075107 /nfs/dbraw/zinc/07/51/07/1038075107.db2.gz KZSDGSNAUUWXFG-CYBMUJFWSA-N 1 2 340.261 4.007 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000489462614 1038075135 /nfs/dbraw/zinc/07/51/35/1038075135.db2.gz KZSDGSNAUUWXFG-CYBMUJFWSA-N 1 2 340.261 4.007 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606569545 1038173261 /nfs/dbraw/zinc/17/32/61/1038173261.db2.gz GEEDFOUXYJZAHU-UHFFFAOYSA-N 1 2 326.444 4.243 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000046527016 1038289887 /nfs/dbraw/zinc/28/98/87/1038289887.db2.gz XKOJKMKDMKOFPT-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000046527016 1038289903 /nfs/dbraw/zinc/28/99/03/1038289903.db2.gz XKOJKMKDMKOFPT-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000490080875 1038336177 /nfs/dbraw/zinc/33/61/77/1038336177.db2.gz QQGKACGVBSFYKQ-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000490080875 1038336194 /nfs/dbraw/zinc/33/61/94/1038336194.db2.gz QQGKACGVBSFYKQ-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000594500296 1038349224 /nfs/dbraw/zinc/34/92/24/1038349224.db2.gz MLPMQXNHYLEBHB-UHFFFAOYSA-N 1 2 341.455 4.081 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(Br)c1 ZINC000481041580 1038974103 /nfs/dbraw/zinc/97/41/03/1038974103.db2.gz VMUNKPIUXCVETJ-QGZVFWFLSA-N 1 2 327.225 4.268 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(Br)c1 ZINC000481041580 1038974137 /nfs/dbraw/zinc/97/41/37/1038974137.db2.gz VMUNKPIUXCVETJ-QGZVFWFLSA-N 1 2 327.225 4.268 20 30 EIEDLO N#CCC[N@@H+](CCc1cccc(C(F)(F)F)c1)Cc1cccnc1 ZINC000600107340 1039258006 /nfs/dbraw/zinc/25/80/06/1039258006.db2.gz VGNLKMZXCGIQPL-UHFFFAOYSA-N 1 2 333.357 4.059 20 30 EIEDLO N#CCC[N@H+](CCc1cccc(C(F)(F)F)c1)Cc1cccnc1 ZINC000600107340 1039258052 /nfs/dbraw/zinc/25/80/52/1039258052.db2.gz VGNLKMZXCGIQPL-UHFFFAOYSA-N 1 2 333.357 4.059 20 30 EIEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1ccc(F)cc1 ZINC000093091001 1039629394 /nfs/dbraw/zinc/62/93/94/1039629394.db2.gz DPAFTSQDOZXHJL-OAHLLOKOSA-N 1 2 342.414 4.147 20 30 EIEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1ccc(F)cc1 ZINC000093091001 1039629412 /nfs/dbraw/zinc/62/94/12/1039629412.db2.gz DPAFTSQDOZXHJL-OAHLLOKOSA-N 1 2 342.414 4.147 20 30 EIEDLO CCc1cnc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000093807553 1039758978 /nfs/dbraw/zinc/75/89/78/1039758978.db2.gz AUGDTONOCHRBCF-UHFFFAOYSA-N 1 2 329.469 4.020 20 30 EIEDLO CCc1cnc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000093807553 1039758985 /nfs/dbraw/zinc/75/89/85/1039758985.db2.gz AUGDTONOCHRBCF-UHFFFAOYSA-N 1 2 329.469 4.020 20 30 EIEDLO N#Cc1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000551360393 1040238328 /nfs/dbraw/zinc/23/83/28/1040238328.db2.gz RAJIIZLDBLGFJL-UHFFFAOYSA-N 1 2 347.393 4.476 20 30 EIEDLO C=CCC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000435284058 1040250063 /nfs/dbraw/zinc/25/00/63/1040250063.db2.gz DIVMPSYVXYJHQE-FQEVSTJZSA-N 1 2 331.419 4.310 20 30 EIEDLO CCn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc2cc(F)ccc21 ZINC000171054654 1040413394 /nfs/dbraw/zinc/41/33/94/1040413394.db2.gz FQNSNRNGTZTFLB-UHFFFAOYSA-N 1 2 348.425 4.232 20 30 EIEDLO CCn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc2cc(F)ccc21 ZINC000171054654 1040413405 /nfs/dbraw/zinc/41/34/05/1040413405.db2.gz FQNSNRNGTZTFLB-UHFFFAOYSA-N 1 2 348.425 4.232 20 30 EIEDLO C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000479515754 1040433788 /nfs/dbraw/zinc/43/37/88/1040433788.db2.gz SQCXUANLGGYRCA-ZBEGNZNMSA-N 1 2 335.234 4.249 20 30 EIEDLO CC#CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000462328228 1040480780 /nfs/dbraw/zinc/48/07/80/1040480780.db2.gz RMIWJCMHGJOXFX-INIZCTEOSA-N 1 2 339.266 4.200 20 30 EIEDLO CC#CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000462328228 1040480786 /nfs/dbraw/zinc/48/07/86/1040480786.db2.gz RMIWJCMHGJOXFX-INIZCTEOSA-N 1 2 339.266 4.200 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824156 1040806526 /nfs/dbraw/zinc/80/65/26/1040806526.db2.gz ZPIFYXDSZLMNKQ-RTBURBONSA-N 1 2 335.407 4.175 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824156 1040806528 /nfs/dbraw/zinc/80/65/28/1040806528.db2.gz ZPIFYXDSZLMNKQ-RTBURBONSA-N 1 2 335.407 4.175 20 30 EIEDLO N#Cc1cc(F)ccc1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000462832321 1041013848 /nfs/dbraw/zinc/01/38/48/1041013848.db2.gz FPYTWTOEOUHQFC-OAHLLOKOSA-N 1 2 345.368 4.052 20 30 EIEDLO N#Cc1cc(F)ccc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000462832321 1041013868 /nfs/dbraw/zinc/01/38/68/1041013868.db2.gz FPYTWTOEOUHQFC-OAHLLOKOSA-N 1 2 345.368 4.052 20 30 EIEDLO C[NH+](C)[C@H](CNc1c(Cl)cccc1C#N)c1c(F)cccc1F ZINC000462833648 1041016330 /nfs/dbraw/zinc/01/63/30/1041016330.db2.gz MSXCLUVRBYYIAP-OAHLLOKOSA-N 1 2 335.785 4.205 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc1F ZINC000484081821 1041112470 /nfs/dbraw/zinc/11/24/70/1041112470.db2.gz KLOXWAHFBYNNIM-FQEVSTJZSA-N 1 2 335.357 4.111 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536645 1041210952 /nfs/dbraw/zinc/21/09/52/1041210952.db2.gz PBKQCSGFJGBGAI-HNNXBMFYSA-N 1 2 336.435 4.353 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536645 1041210967 /nfs/dbraw/zinc/21/09/67/1041210967.db2.gz PBKQCSGFJGBGAI-HNNXBMFYSA-N 1 2 336.435 4.353 20 30 EIEDLO CCc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425545073 1041234446 /nfs/dbraw/zinc/23/44/46/1041234446.db2.gz UJZYRKOEANMFPA-OAHLLOKOSA-N 1 2 346.434 4.364 20 30 EIEDLO CCc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425545073 1041234455 /nfs/dbraw/zinc/23/44/55/1041234455.db2.gz UJZYRKOEANMFPA-OAHLLOKOSA-N 1 2 346.434 4.364 20 30 EIEDLO Cc1cc(C)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000904112709 1041330227 /nfs/dbraw/zinc/33/02/27/1041330227.db2.gz DPWRSHPHDZQIBG-HNNXBMFYSA-N 1 2 347.340 4.020 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846368 1041445628 /nfs/dbraw/zinc/44/56/28/1041445628.db2.gz UMJNEJRCMUEBND-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846368 1041445633 /nfs/dbraw/zinc/44/56/33/1041445633.db2.gz UMJNEJRCMUEBND-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1ccc(Cl)cc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542122126 1042292569 /nfs/dbraw/zinc/29/25/69/1042292569.db2.gz VRVGSDOJPKGEPO-UHFFFAOYSA-N 1 2 328.847 4.105 20 30 EIEDLO C[C@@H](Cc1cccc(F)c1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001168455234 1042875722 /nfs/dbraw/zinc/87/57/22/1042875722.db2.gz WIXXUFOUXBSLCP-QMMMGPOBSA-N 1 2 335.238 4.179 20 30 EIEDLO C=CCn1c2ccccc2nc1SCc1cc(OC)cc(C)[nH+]1 ZINC000550431680 1043006021 /nfs/dbraw/zinc/00/60/21/1043006021.db2.gz RDPQKRXALMMMBK-UHFFFAOYSA-N 1 2 325.437 4.227 20 30 EIEDLO CSc1ccc2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CC2 ZINC000843274279 1043160831 /nfs/dbraw/zinc/16/08/31/1043160831.db2.gz VQDXMMFTFDMMIY-JYRVWZFOSA-N 1 2 344.505 4.139 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccc(C#N)cc1 ZINC000077361208 1043294092 /nfs/dbraw/zinc/29/40/92/1043294092.db2.gz ANDWCHJGJXUKMO-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccc(C#N)cc1 ZINC000077361208 1043294102 /nfs/dbraw/zinc/29/41/02/1043294102.db2.gz ANDWCHJGJXUKMO-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727823676 1043317764 /nfs/dbraw/zinc/31/77/64/1043317764.db2.gz APPYIMVWNBCHQA-QGZVFWFLSA-N 1 2 342.512 4.023 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727823676 1043317773 /nfs/dbraw/zinc/31/77/73/1043317773.db2.gz APPYIMVWNBCHQA-QGZVFWFLSA-N 1 2 342.512 4.023 20 30 EIEDLO C=C(C)COc1cc(C[NH2+]C2(C(F)F)CCCC2)ccc1OC ZINC000674132059 1043427605 /nfs/dbraw/zinc/42/76/05/1043427605.db2.gz MBDZDFJVCTZDIR-UHFFFAOYSA-N 1 2 325.399 4.318 20 30 EIEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674463159 1043696419 /nfs/dbraw/zinc/69/64/19/1043696419.db2.gz MWDKTSKMWFADRX-NXEZZACHSA-N 1 2 345.258 4.007 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1Cl ZINC001137830583 1043810222 /nfs/dbraw/zinc/81/02/22/1043810222.db2.gz KOCFQPATVPTIFI-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1Cl ZINC001137830583 1043810230 /nfs/dbraw/zinc/81/02/30/1043810230.db2.gz KOCFQPATVPTIFI-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]\CCCO[C@@H]2CCCc3ccccc32)c1 ZINC000733750154 1044301312 /nfs/dbraw/zinc/30/13/12/1044301312.db2.gz OGOZJYWHRURMLQ-JHRFGPFWSA-N 1 2 339.435 4.304 20 30 EIEDLO C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000522197455 1044370640 /nfs/dbraw/zinc/37/06/40/1044370640.db2.gz UPHDADLGRLEAJC-HNNXBMFYSA-N 1 2 349.459 4.445 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766654 1044508598 /nfs/dbraw/zinc/50/85/98/1044508598.db2.gz TYUBVUWQMKSRIQ-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766654 1044508615 /nfs/dbraw/zinc/50/86/15/1044508615.db2.gz TYUBVUWQMKSRIQ-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000543450836 1044621170 /nfs/dbraw/zinc/62/11/70/1044621170.db2.gz APHUESYQVXLWTD-IBGZPJMESA-N 1 2 341.842 4.129 20 30 EIEDLO CC(C)(C)[N@H+](Cc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001168026636 1044710194 /nfs/dbraw/zinc/71/01/94/1044710194.db2.gz RPLQZHQQNSDJFF-UHFFFAOYSA-N 1 2 341.386 4.406 20 30 EIEDLO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001168026636 1044710209 /nfs/dbraw/zinc/71/02/09/1044710209.db2.gz RPLQZHQQNSDJFF-UHFFFAOYSA-N 1 2 341.386 4.406 20 30 EIEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000428856556 1044740089 /nfs/dbraw/zinc/74/00/89/1044740089.db2.gz MDVGUKPMTJSVTI-UHFFFAOYSA-N 1 2 333.435 4.084 20 30 EIEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000428856556 1044740097 /nfs/dbraw/zinc/74/00/97/1044740097.db2.gz MDVGUKPMTJSVTI-UHFFFAOYSA-N 1 2 333.435 4.084 20 30 EIEDLO Cn1c(-c2ccccc2)cn(C[N@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783154 1044769038 /nfs/dbraw/zinc/76/90/38/1044769038.db2.gz HQMMCQDGKOUHOP-UHFFFAOYSA-N 1 2 348.475 4.184 20 30 EIEDLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783154 1044769055 /nfs/dbraw/zinc/76/90/55/1044769055.db2.gz HQMMCQDGKOUHOP-UHFFFAOYSA-N 1 2 348.475 4.184 20 30 EIEDLO C#CC1CC[NH+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141844187 1044912021 /nfs/dbraw/zinc/91/20/21/1044912021.db2.gz NXEJGDNMCMGKAG-UHFFFAOYSA-N 1 2 330.628 4.087 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cccs1 ZINC000027220274 1044954885 /nfs/dbraw/zinc/95/48/85/1044954885.db2.gz PPIABJRKRLDTDK-HXUWFJFHSA-N 1 2 340.492 4.004 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cccs1 ZINC000027220274 1044954904 /nfs/dbraw/zinc/95/49/04/1044954904.db2.gz PPIABJRKRLDTDK-HXUWFJFHSA-N 1 2 340.492 4.004 20 30 EIEDLO N#Cc1csc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000347754206 1044998451 /nfs/dbraw/zinc/99/84/51/1044998451.db2.gz QRBPIRUPNCPWHM-IBGZPJMESA-N 1 2 347.443 4.089 20 30 EIEDLO CCOc1cccc(/C=[NH+]/CCc2ccc(OC(C)C)cc2)c1O ZINC000915113557 1045110729 /nfs/dbraw/zinc/11/07/29/1045110729.db2.gz YUVGMCNMFMWSCM-KGENOOAVSA-N 1 2 327.424 4.240 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCCCC2)cc1 ZINC000740764318 1045219133 /nfs/dbraw/zinc/21/91/33/1045219133.db2.gz RGEFGQIKCOIZTD-VAWYXSNFSA-N 1 2 331.419 4.221 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1sccc1Br ZINC000740765195 1045219980 /nfs/dbraw/zinc/21/99/80/1045219980.db2.gz RWAQDVSNNSUCOM-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO C=C(Cl)COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000740764957 1045220279 /nfs/dbraw/zinc/22/02/79/1045220279.db2.gz LLAYXNLZFHYWQA-JXMROGBWSA-N 1 2 338.794 4.362 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762467313 1045248318 /nfs/dbraw/zinc/24/83/18/1045248318.db2.gz QSCMUKLHICAGKM-QGZVFWFLSA-N 1 2 328.485 4.093 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1=S ZINC000762467313 1045248333 /nfs/dbraw/zinc/24/83/33/1045248333.db2.gz QSCMUKLHICAGKM-QGZVFWFLSA-N 1 2 328.485 4.093 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000611268828 1045272244 /nfs/dbraw/zinc/27/22/44/1045272244.db2.gz VDGFFHZGOVDADB-UHFFFAOYSA-N 1 2 344.890 4.347 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000611268828 1045272251 /nfs/dbraw/zinc/27/22/51/1045272251.db2.gz VDGFFHZGOVDADB-UHFFFAOYSA-N 1 2 344.890 4.347 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 ZINC000611386617 1045295342 /nfs/dbraw/zinc/29/53/42/1045295342.db2.gz PXJWQYCFXBMDTH-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611388138 1045295813 /nfs/dbraw/zinc/29/58/13/1045295813.db2.gz XEKOCGDKNKVARU-CABCVRRESA-N 1 2 332.407 4.329 20 30 EIEDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611390546 1045302848 /nfs/dbraw/zinc/30/28/48/1045302848.db2.gz GWUCDKUJVIVNDO-LEWJYISDSA-N 1 2 342.446 4.048 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767753572 1045629440 /nfs/dbraw/zinc/62/94/40/1045629440.db2.gz FNKOXQAFJXLUQG-QZTJIDSGSA-N 1 2 348.535 4.306 20 30 EIEDLO CN(C)c1cc(CSCc2ccc(C#N)cc2OC(F)F)cc[nH+]1 ZINC000767868469 1045656227 /nfs/dbraw/zinc/65/62/27/1045656227.db2.gz WHWRTQOXBKUJPS-UHFFFAOYSA-N 1 2 349.406 4.054 20 30 EIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455492456 1045699986 /nfs/dbraw/zinc/69/99/86/1045699986.db2.gz ZXWTWJQUTWCUME-UHFFFAOYSA-N 1 2 339.439 4.236 20 30 EIEDLO CC(=NNc1cccc2ncccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915965015 1045858749 /nfs/dbraw/zinc/85/87/49/1045858749.db2.gz ZSWSZHFMJPPKKK-UHFFFAOYSA-N 1 2 327.391 4.257 20 30 EIEDLO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(F)cc1C#N ZINC000488082941 1045919946 /nfs/dbraw/zinc/91/99/46/1045919946.db2.gz OMXMFERBCXGDCO-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(F)cc1C#N ZINC000488082941 1045919958 /nfs/dbraw/zinc/91/99/58/1045919958.db2.gz OMXMFERBCXGDCO-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C#CCCOc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769326125 1045924475 /nfs/dbraw/zinc/92/44/75/1045924475.db2.gz APOAHTHMAUASBG-UHFFFAOYSA-N 1 2 345.446 4.014 20 30 EIEDLO C#CCCOc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769326125 1045924495 /nfs/dbraw/zinc/92/44/95/1045924495.db2.gz APOAHTHMAUASBG-UHFFFAOYSA-N 1 2 345.446 4.014 20 30 EIEDLO C#CCCOc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000769377999 1045939253 /nfs/dbraw/zinc/93/92/53/1045939253.db2.gz PEERIHCJJVSAPA-UHFFFAOYSA-N 1 2 335.451 4.086 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1sccc1Br ZINC000769606032 1046032113 /nfs/dbraw/zinc/03/21/13/1046032113.db2.gz AGXDEUZYDBOKQV-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C/c1cccc2[nH+]ccn21 ZINC000769615847 1046035830 /nfs/dbraw/zinc/03/58/30/1046035830.db2.gz QYQPVFAEONRGPX-FLIBITNWSA-N 1 2 329.186 4.464 20 30 EIEDLO C#Cc1ccc(CNc2ccc(Nc3cccc(OC)c3)c[nH+]2)cc1 ZINC001203144622 1046085016 /nfs/dbraw/zinc/08/50/16/1046085016.db2.gz QJFRCEBTQHOWBZ-UHFFFAOYSA-N 1 2 329.403 4.427 20 30 EIEDLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000770392803 1046192580 /nfs/dbraw/zinc/19/25/80/1046192580.db2.gz VQIGXGSQHGDCJR-GOSISDBHSA-N 1 2 340.492 4.491 20 30 EIEDLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000770392803 1046192588 /nfs/dbraw/zinc/19/25/88/1046192588.db2.gz VQIGXGSQHGDCJR-GOSISDBHSA-N 1 2 340.492 4.491 20 30 EIEDLO Clc1cc(Cl)c(N=NCc2cccc3[nH+]ccn32)nc1Cl ZINC000771087721 1046323406 /nfs/dbraw/zinc/32/34/06/1046323406.db2.gz HCNOEEZIBFZNAA-UHFFFAOYSA-N 1 2 340.601 4.136 20 30 EIEDLO C=CC[N@@H+](Cc1nc2ccccc2n1CC)Cc1ccc(OC)cc1 ZINC000536648951 1046612586 /nfs/dbraw/zinc/61/25/86/1046612586.db2.gz HTTFBZDHXWYNGE-UHFFFAOYSA-N 1 2 335.451 4.253 20 30 EIEDLO C=CC[N@H+](Cc1nc2ccccc2n1CC)Cc1ccc(OC)cc1 ZINC000536648951 1046612592 /nfs/dbraw/zinc/61/25/92/1046612592.db2.gz HTTFBZDHXWYNGE-UHFFFAOYSA-N 1 2 335.451 4.253 20 30 EIEDLO C=CCOc1cccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000536673554 1046656491 /nfs/dbraw/zinc/65/64/91/1046656491.db2.gz LDMUTVGHYNKPTF-UHFFFAOYSA-N 1 2 328.481 4.219 20 30 EIEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000536673554 1046656501 /nfs/dbraw/zinc/65/65/01/1046656501.db2.gz LDMUTVGHYNKPTF-UHFFFAOYSA-N 1 2 328.481 4.219 20 30 EIEDLO C[C@@H]1C[C@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000459439629 1046684874 /nfs/dbraw/zinc/68/48/74/1046684874.db2.gz WDLRNSLMXLWDOR-KZULUSFZSA-N 1 2 341.798 4.145 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)cc1 ZINC000746669529 1046983115 /nfs/dbraw/zinc/98/31/15/1046983115.db2.gz DDPWVNLZUFMORE-ROUUACIJSA-N 1 2 347.462 4.207 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)cc1 ZINC000746669529 1046983149 /nfs/dbraw/zinc/98/31/49/1046983149.db2.gz DDPWVNLZUFMORE-ROUUACIJSA-N 1 2 347.462 4.207 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc(OCC#N)cc2)cc[nH+]1 ZINC001212604733 1047090645 /nfs/dbraw/zinc/09/06/45/1047090645.db2.gz SLQFAIMAVWASDM-UHFFFAOYSA-N 1 2 340.383 4.075 20 30 EIEDLO COc1cc(NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000788467647 1047195847 /nfs/dbraw/zinc/19/58/47/1047195847.db2.gz KXZGIEDFHFWJSG-UHFFFAOYSA-N 1 2 340.814 4.370 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(C)ccc12 ZINC000918187490 1047374263 /nfs/dbraw/zinc/37/42/63/1047374263.db2.gz CDGZKVKXFVAMQT-UHFFFAOYSA-N 1 2 337.394 4.429 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(C)ccc12 ZINC000918187490 1047374278 /nfs/dbraw/zinc/37/42/78/1047374278.db2.gz CDGZKVKXFVAMQT-UHFFFAOYSA-N 1 2 337.394 4.429 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000807592816 1047477048 /nfs/dbraw/zinc/47/70/48/1047477048.db2.gz UMIWOFRBVPOGNU-MOPGFXCFSA-N 1 2 346.519 4.392 20 30 EIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Br)cc1C(F)(F)F ZINC000790232418 1047548633 /nfs/dbraw/zinc/54/86/33/1047548633.db2.gz ASKOUBSINBSNBM-ONEGZZNKSA-N 1 2 345.118 4.087 20 30 EIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)F)cc1 ZINC001136933474 1047935777 /nfs/dbraw/zinc/93/57/77/1047935777.db2.gz NCVJKLHSXKABKA-UHFFFAOYSA-N 1 2 330.378 4.246 20 30 EIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)F)cc1 ZINC001136933474 1047935793 /nfs/dbraw/zinc/93/57/93/1047935793.db2.gz NCVJKLHSXKABKA-UHFFFAOYSA-N 1 2 330.378 4.246 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CCCCC1 ZINC000499065087 1048139602 /nfs/dbraw/zinc/13/96/02/1048139602.db2.gz PELICDCZOUXJTJ-CYBMUJFWSA-N 1 2 340.920 4.227 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CCCCC1 ZINC000499065087 1048139616 /nfs/dbraw/zinc/13/96/16/1048139616.db2.gz PELICDCZOUXJTJ-CYBMUJFWSA-N 1 2 340.920 4.227 20 30 EIEDLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732745 1048169391 /nfs/dbraw/zinc/16/93/91/1048169391.db2.gz TVHRSVZNTNADOX-UHFFFAOYSA-N 1 2 348.874 4.013 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001143722894 1048175592 /nfs/dbraw/zinc/17/55/92/1048175592.db2.gz KRTMMGCTBMMUHD-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO CC(C)c1noc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730847 1048177909 /nfs/dbraw/zinc/17/79/09/1048177909.db2.gz CMAGMNQKVWELJT-AWEZNQCLSA-N 1 2 344.846 4.098 20 30 EIEDLO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730847 1048177911 /nfs/dbraw/zinc/17/79/11/1048177911.db2.gz CMAGMNQKVWELJT-AWEZNQCLSA-N 1 2 344.846 4.098 20 30 EIEDLO CC(=[NH+]Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N ZINC000814861526 1048210885 /nfs/dbraw/zinc/21/08/85/1048210885.db2.gz WNDWZLTVITXCBV-UHFFFAOYSA-N 1 2 339.182 4.320 20 30 EIEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(OC(F)(F)F)c1 ZINC001144051086 1048380411 /nfs/dbraw/zinc/38/04/11/1048380411.db2.gz DLFLVMSINAQUMB-UHFFFAOYSA-N 1 2 342.361 4.252 20 30 EIEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(OC(F)(F)F)c1 ZINC001144051086 1048380421 /nfs/dbraw/zinc/38/04/21/1048380421.db2.gz DLFLVMSINAQUMB-UHFFFAOYSA-N 1 2 342.361 4.252 20 30 EIEDLO C#Cc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000809599166 1048433834 /nfs/dbraw/zinc/43/38/34/1048433834.db2.gz QXCQSKBZVMKHMH-UHFFFAOYSA-N 1 2 327.431 4.480 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCCCN(C)c2ccccc2)c1O ZINC000920174029 1048571598 /nfs/dbraw/zinc/57/15/98/1048571598.db2.gz YBESXRRUWVXYDC-PGMHBOJBSA-N 1 2 326.440 4.126 20 30 EIEDLO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)c(Br)c1 ZINC000846009727 1048786790 /nfs/dbraw/zinc/78/67/90/1048786790.db2.gz CVNRPXDGANSQHD-LBPRGKRZSA-N 1 2 337.261 4.192 20 30 EIEDLO C=CC[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000810698812 1048852550 /nfs/dbraw/zinc/85/25/50/1048852550.db2.gz WCCJTQZPLCHVEJ-NRFANRHFSA-N 1 2 346.430 4.335 20 30 EIEDLO CN(C)c1nc(C=[NH+]Nc2ccccc2)c(Cl)n1-c1ccccc1 ZINC000818196053 1049105427 /nfs/dbraw/zinc/10/54/27/1049105427.db2.gz IBLMZDOPYLDISQ-UHFFFAOYSA-N 1 2 339.830 4.038 20 30 EIEDLO C=C[C@@H]1C[C@@]1(Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(=O)OCC ZINC001170928079 1049326865 /nfs/dbraw/zinc/32/68/65/1049326865.db2.gz OFMQOOCFENZZBH-VFNWGFHPSA-N 1 2 347.418 4.150 20 30 EIEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000610001685 1049469645 /nfs/dbraw/zinc/46/96/45/1049469645.db2.gz JTGSTZFESVZISK-IBGZPJMESA-N 1 2 341.405 4.110 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(Br)cc1OC)c1ccc(F)cc1 ZINC000812792861 1049591009 /nfs/dbraw/zinc/59/10/09/1049591009.db2.gz JEUCJYCPDICKLH-MRXNPFEDSA-N 1 2 348.215 4.061 20 30 EIEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](Cc1ccc(C)cn1)C(=O)OC ZINC001172356387 1049893828 /nfs/dbraw/zinc/89/38/28/1049893828.db2.gz IICMKUOUEYODAA-HKUYNNGSSA-N 1 2 334.504 4.203 20 30 EIEDLO CCCCCCCC[C@H](CC)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001172505718 1049924312 /nfs/dbraw/zinc/92/43/12/1049924312.db2.gz SQJOAJAMRGDEOJ-RBUKOAKNSA-N 1 2 334.504 4.285 20 30 EIEDLO C=CC[C@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211773 1050369944 /nfs/dbraw/zinc/36/99/44/1050369944.db2.gz RAUGHHYJAKJDOX-UWJYYQICSA-N 1 2 337.463 4.304 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680049 1050527378 /nfs/dbraw/zinc/52/73/78/1050527378.db2.gz MHOGFWAAAZWRLM-CLCXKQKWSA-N 1 2 337.508 4.081 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+][C@@H](C#N)CC(C)C)CC2)cc1 ZINC001173785757 1050571538 /nfs/dbraw/zinc/57/15/38/1050571538.db2.gz LGFCNAPTDHTCGR-NKELODKYSA-N 1 2 328.456 4.166 20 30 EIEDLO CCCOc1ccc(Br)cc1C[NH2+]CC1(C#N)CCC1 ZINC001179776232 1050771378 /nfs/dbraw/zinc/77/13/78/1050771378.db2.gz NFOVWJJITONVFV-UHFFFAOYSA-N 1 2 337.261 4.021 20 30 EIEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnn3-c3ccccc3)ccc21 ZINC001174381747 1050945088 /nfs/dbraw/zinc/94/50/88/1050945088.db2.gz PLNRVGOESKBUDY-UHFFFAOYSA-N 1 2 342.406 4.418 20 30 EIEDLO COc1ccc(F)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181213 1051159899 /nfs/dbraw/zinc/15/98/99/1051159899.db2.gz HNGKHRIFVVSCNX-GHMZBOCLSA-N 1 2 345.258 4.007 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001190457287 1051191231 /nfs/dbraw/zinc/19/12/31/1051191231.db2.gz KFPBWWQOFRCTCI-HNNXBMFYSA-N 1 2 349.434 4.093 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001190457287 1051191239 /nfs/dbraw/zinc/19/12/39/1051191239.db2.gz KFPBWWQOFRCTCI-HNNXBMFYSA-N 1 2 349.434 4.093 20 30 EIEDLO CC(C)(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC001190700077 1051247804 /nfs/dbraw/zinc/24/78/04/1051247804.db2.gz SYLJCDKBBCQFHS-UHFFFAOYSA-N 1 2 349.434 4.322 20 30 EIEDLO CC(C)(C)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC001190700077 1051247818 /nfs/dbraw/zinc/24/78/18/1051247818.db2.gz SYLJCDKBBCQFHS-UHFFFAOYSA-N 1 2 349.434 4.322 20 30 EIEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000183827807 1051480116 /nfs/dbraw/zinc/48/01/16/1051480116.db2.gz UHFROMOHAOBDKF-LBPRGKRZSA-N 1 2 345.786 4.290 20 30 EIEDLO N#Cc1c(Br)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350774 1051541124 /nfs/dbraw/zinc/54/11/24/1051541124.db2.gz BWWJQJDRSSWSBI-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1c(Nc2ccc(N3CCCC3)[nH+]c2)cccc1C(F)(F)F ZINC001175349695 1051541396 /nfs/dbraw/zinc/54/13/96/1051541396.db2.gz CTJIRDMHSAFCBS-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc(C#N)cc2C(F)(F)F)[nH+]c1C ZINC001176079564 1051889118 /nfs/dbraw/zinc/88/91/18/1051889118.db2.gz ZMILWBBGBYXIGH-MRXNPFEDSA-N 1 2 348.372 4.254 20 30 EIEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001193921530 1052028433 /nfs/dbraw/zinc/02/84/33/1052028433.db2.gz YGDKNQJYCOLMMG-AWEZNQCLSA-N 1 2 342.826 4.024 20 30 EIEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001193921530 1052028443 /nfs/dbraw/zinc/02/84/43/1052028443.db2.gz YGDKNQJYCOLMMG-AWEZNQCLSA-N 1 2 342.826 4.024 20 30 EIEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001194019612 1052050197 /nfs/dbraw/zinc/05/01/97/1052050197.db2.gz OQIDWZPZYJIPFG-UHFFFAOYSA-N 1 2 347.434 4.267 20 30 EIEDLO C=C1CC(C)(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C1 ZINC001184793675 1052107829 /nfs/dbraw/zinc/10/78/29/1052107829.db2.gz LIUNXNVFSKPDBH-HNNXBMFYSA-N 1 2 341.282 4.069 20 30 EIEDLO CC(C)c1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000183852481 1052985952 /nfs/dbraw/zinc/98/59/52/1052985952.db2.gz KMLCRBCOXZEUHJ-UHFFFAOYSA-N 1 2 338.398 4.427 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850351393 1053125840 /nfs/dbraw/zinc/12/58/40/1053125840.db2.gz AXLILUAADXBGSL-VQIMIIECSA-N 1 2 342.487 4.423 20 30 EIEDLO C=CCCOc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001195130921 1053286697 /nfs/dbraw/zinc/28/66/97/1053286697.db2.gz FWTWLENAQZGTJV-UHFFFAOYSA-N 1 2 347.418 4.139 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000794703136 1053323010 /nfs/dbraw/zinc/32/30/10/1053323010.db2.gz SRPNWUXDUIYPHD-ARJAWSKDSA-N 1 2 341.263 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000764888749 1053349886 /nfs/dbraw/zinc/34/98/86/1053349886.db2.gz JHDXYUBWQGRSKF-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000764888749 1053349903 /nfs/dbraw/zinc/34/99/03/1053349903.db2.gz JHDXYUBWQGRSKF-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)sc1Br ZINC000794733138 1053361716 /nfs/dbraw/zinc/36/17/16/1053361716.db2.gz NSRYPLXIWLARDC-WAYWQWQTSA-N 1 2 347.237 4.363 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1cccs1 ZINC000764970098 1053402552 /nfs/dbraw/zinc/40/25/52/1053402552.db2.gz IIADFNGQQOVLNW-AWEZNQCLSA-N 1 2 346.525 4.160 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1cccs1 ZINC000764970098 1053402564 /nfs/dbraw/zinc/40/25/64/1053402564.db2.gz IIADFNGQQOVLNW-AWEZNQCLSA-N 1 2 346.525 4.160 20 30 EIEDLO C=CCSc1ccccc1NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376002 1053486195 /nfs/dbraw/zinc/48/61/95/1053486195.db2.gz UWFQTYQZCUUIPE-UHFFFAOYSA-N 1 2 329.469 4.097 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775735743 1053726986 /nfs/dbraw/zinc/72/69/86/1053726986.db2.gz TVHDPMKPECIURF-WMZOPIPTSA-N 1 2 326.827 4.317 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775735743 1053726994 /nfs/dbraw/zinc/72/69/94/1053726994.db2.gz TVHDPMKPECIURF-WMZOPIPTSA-N 1 2 326.827 4.317 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1Cl ZINC001196828508 1053769020 /nfs/dbraw/zinc/76/90/20/1053769020.db2.gz FUGMRTNVYVYABM-SUMWQHHRSA-N 1 2 344.842 4.133 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1Cl ZINC001196828508 1053769045 /nfs/dbraw/zinc/76/90/45/1053769045.db2.gz FUGMRTNVYVYABM-SUMWQHHRSA-N 1 2 344.842 4.133 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218224 1054098133 /nfs/dbraw/zinc/09/81/33/1054098133.db2.gz DWRIFPXLFIBHKH-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218224 1054098146 /nfs/dbraw/zinc/09/81/46/1054098146.db2.gz DWRIFPXLFIBHKH-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000172255350 1054119325 /nfs/dbraw/zinc/11/93/25/1054119325.db2.gz BATAZSQHKNZVMW-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000172255350 1054119330 /nfs/dbraw/zinc/11/93/30/1054119330.db2.gz BATAZSQHKNZVMW-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO CCSCc1cc[nH+]c(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000123302636 1054131039 /nfs/dbraw/zinc/13/10/39/1054131039.db2.gz FHVATZXJOXVDBQ-CQSZACIVSA-N 1 2 327.453 4.238 20 30 EIEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123708429 1054225486 /nfs/dbraw/zinc/22/54/86/1054225486.db2.gz QCLWFSXGBPRIDZ-UHFFFAOYSA-N 1 2 349.265 4.223 20 30 EIEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050862 1054361571 /nfs/dbraw/zinc/36/15/71/1054361571.db2.gz CZUMPWDELNJCSR-CJNGLKHVSA-N 1 2 327.359 4.430 20 30 EIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872237962 1054425048 /nfs/dbraw/zinc/42/50/48/1054425048.db2.gz CBHAIYHHQBRJET-DNVCBOLYSA-N 1 2 335.455 4.217 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876779127 1054959600 /nfs/dbraw/zinc/95/96/00/1054959600.db2.gz WPZFVHXZWRCCHT-AWEZNQCLSA-N 1 2 346.887 4.135 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876779127 1054959609 /nfs/dbraw/zinc/95/96/09/1054959609.db2.gz WPZFVHXZWRCCHT-AWEZNQCLSA-N 1 2 346.887 4.135 20 30 EIEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000877484286 1055061278 /nfs/dbraw/zinc/06/12/78/1055061278.db2.gz AVFLEVQZYFKOKH-UHFFFAOYSA-N 1 2 329.806 4.067 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)cc1F ZINC000862408083 1055061826 /nfs/dbraw/zinc/06/18/26/1055061826.db2.gz UAVDKBBDOVOYRR-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)cc1F ZINC000862408083 1055061834 /nfs/dbraw/zinc/06/18/34/1055061834.db2.gz UAVDKBBDOVOYRR-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO C=CC[N@@H+](Cc1nnc(-c2cc3ccccc3cc2OC)o1)C1CC1 ZINC000878341723 1055251337 /nfs/dbraw/zinc/25/13/37/1055251337.db2.gz GHQBCNFBXQBTQN-UHFFFAOYSA-N 1 2 335.407 4.049 20 30 EIEDLO C=CC[N@H+](Cc1nnc(-c2cc3ccccc3cc2OC)o1)C1CC1 ZINC000878341723 1055251369 /nfs/dbraw/zinc/25/13/69/1055251369.db2.gz GHQBCNFBXQBTQN-UHFFFAOYSA-N 1 2 335.407 4.049 20 30 EIEDLO C=CCC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCOCC1 ZINC000921655602 1055492941 /nfs/dbraw/zinc/49/29/41/1055492941.db2.gz OIQZFGDYLAUMQX-UHFFFAOYSA-N 1 2 339.439 4.005 20 30 EIEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000301117346 1055897210 /nfs/dbraw/zinc/89/72/10/1055897210.db2.gz WZTKSSJLYKPKEB-UHFFFAOYSA-N 1 2 346.356 4.053 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846367 1056385624 /nfs/dbraw/zinc/38/56/24/1056385624.db2.gz UMJNEJRCMUEBND-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554846367 1056385639 /nfs/dbraw/zinc/38/56/39/1056385639.db2.gz UMJNEJRCMUEBND-HNNXBMFYSA-N 1 2 326.337 4.252 20 30 EIEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cnn1-c1ccccc1 ZINC000741466838 1058222519 /nfs/dbraw/zinc/22/25/19/1058222519.db2.gz AJWMNUZXPAIHLR-KHPPLWFESA-N 1 2 342.402 4.033 20 30 EIEDLO CCCOc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3c(C)cccn13)CO2 ZINC000741466897 1058222842 /nfs/dbraw/zinc/22/28/42/1058222842.db2.gz BWCYOLRLWNPRSH-GDNBJRDFSA-N 1 2 348.402 4.090 20 30 EIEDLO COc1cc(C)ccc1C(=O)/C=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000737444766 1058349309 /nfs/dbraw/zinc/34/93/09/1058349309.db2.gz TZQWKHOCOQJBJV-ALCCZGGFSA-N 1 2 326.783 4.201 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccc(OC(F)F)c1 ZINC000737444937 1058353064 /nfs/dbraw/zinc/35/30/64/1058353064.db2.gz VUJHEBXALSDVHT-WAYWQWQTSA-N 1 2 348.736 4.485 20 30 EIEDLO FC(F)(F)COc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000741764513 1058358047 /nfs/dbraw/zinc/35/80/47/1058358047.db2.gz MVIZVUYFIRFYDK-UHFFFAOYSA-N 1 2 345.324 4.044 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(-c2ccncc2)cc1 ZINC000745990655 1059957261 /nfs/dbraw/zinc/95/72/61/1059957261.db2.gz WDQKQMHAQFHNCW-HJWRWDBZSA-N 1 2 325.371 4.292 20 30 EIEDLO CCCOc1ccc(Br)cc1C[NH2+][C@H](CC)CC#N ZINC000054183558 214221838 /nfs/dbraw/zinc/22/18/38/214221838.db2.gz FQMUTBWLBXDJDB-CQSZACIVSA-N 1 2 325.250 4.020 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000532827673 1032334940 /nfs/dbraw/zinc/33/49/40/1032334940.db2.gz QFRVHVSCDILIBS-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000532990014 1032439559 /nfs/dbraw/zinc/43/95/59/1032439559.db2.gz GBKXWMXMYSVYBW-UHFFFAOYSA-N 1 2 331.803 4.250 20 30 EIEDLO C=C(C)[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(F)c(F)c1 ZINC000454813764 1032502324 /nfs/dbraw/zinc/50/23/24/1032502324.db2.gz OBCIMMPDGGDBEZ-SFHVURJKSA-N 1 2 345.393 4.093 20 30 EIEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCCC1 ZINC000450640198 1032589277 /nfs/dbraw/zinc/58/92/77/1032589277.db2.gz GADVRKQURLIRHG-INIZCTEOSA-N 1 2 332.513 4.090 20 30 EIEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000050231606 1022026009 /nfs/dbraw/zinc/02/60/09/1022026009.db2.gz VMDISMOIZUCCFI-LJQANCHMSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000050231606 1022026029 /nfs/dbraw/zinc/02/60/29/1022026029.db2.gz VMDISMOIZUCCFI-LJQANCHMSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(Br)c1 ZINC000481041576 1022389412 /nfs/dbraw/zinc/38/94/12/1022389412.db2.gz VMUNKPIUXCVETJ-KRWDZBQOSA-N 1 2 327.225 4.268 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(Br)c1 ZINC000481041576 1022389431 /nfs/dbraw/zinc/38/94/31/1022389431.db2.gz VMUNKPIUXCVETJ-KRWDZBQOSA-N 1 2 327.225 4.268 20 30 EIEDLO COc1cc(F)c(F)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143387936 1022812756 /nfs/dbraw/zinc/81/27/56/1022812756.db2.gz XLKWFHFHDFQSFW-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cscc1C(F)(F)F ZINC000581163882 1022862975 /nfs/dbraw/zinc/86/29/75/1022862975.db2.gz YNGFZCXCTIOIPF-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cscc1C(F)(F)F ZINC000581163882 1022862978 /nfs/dbraw/zinc/86/29/78/1022862978.db2.gz YNGFZCXCTIOIPF-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO Cc1cc2c(s1)N(c1ccc(C)nc1C#N)c1ccccc1NC2=[NH2+] ZINC001167463523 1023219030 /nfs/dbraw/zinc/21/90/30/1023219030.db2.gz VGIRCIVJPPKRPG-UHFFFAOYSA-N 1 2 345.431 4.452 20 30 EIEDLO Cc1cc2c(s1)N(c1ccnc(C#N)c1)c1ccccc1NC2=[NH2+] ZINC001167463567 1023220168 /nfs/dbraw/zinc/22/01/68/1023220168.db2.gz WBXRUOMZWAODGE-UHFFFAOYSA-N 1 2 331.404 4.143 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc(Br)cs1 ZINC000195341059 1023817481 /nfs/dbraw/zinc/81/74/81/1023817481.db2.gz LARHLLQMQCIXAD-SNAWJCMRSA-N 1 2 333.210 4.054 20 30 EIEDLO Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnc1F ZINC000891770712 1023966187 /nfs/dbraw/zinc/96/61/87/1023966187.db2.gz MQIWMNNDTGHQHJ-GHMZBOCLSA-N 1 2 344.274 4.092 20 30 EIEDLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(C#N)c(F)c1 ZINC000430728096 1023980181 /nfs/dbraw/zinc/98/01/81/1023980181.db2.gz JHEGLFHFJFZABV-QMMMGPOBSA-N 1 2 326.268 4.105 20 30 EIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000278863277 1025052152 /nfs/dbraw/zinc/05/21/52/1025052152.db2.gz WMWWJHFABXZNMZ-APPDUMDISA-N 1 2 335.350 4.312 20 30 EIEDLO C[N@H+](Cc1ccc(Br)s1)Cc1cc(C#N)ccc1F ZINC000053906504 1025105809 /nfs/dbraw/zinc/10/58/09/1025105809.db2.gz VLUOBCORXSMHKQ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)s1)Cc1cc(C#N)ccc1F ZINC000053906504 1025105820 /nfs/dbraw/zinc/10/58/20/1025105820.db2.gz VLUOBCORXSMHKQ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000342333750 1025868116 /nfs/dbraw/zinc/86/81/16/1025868116.db2.gz KFBNDCNTEUSSQM-UHFFFAOYSA-N 1 2 344.418 4.047 20 30 EIEDLO CCCCCCC[C@H](CC(=O)[O-])[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000277401681 1025885506 /nfs/dbraw/zinc/88/55/06/1025885506.db2.gz RYGROEFWGOCXOJ-GOSISDBHSA-N 1 2 343.471 4.166 20 30 EIEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000894453941 1025955037 /nfs/dbraw/zinc/95/50/37/1025955037.db2.gz JLHWOIZCNGWLCX-UHFFFAOYSA-N 1 2 333.794 4.306 20 30 EIEDLO N#CCCCOc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000344120244 1026035199 /nfs/dbraw/zinc/03/51/99/1026035199.db2.gz DDAKWQODGFYEBE-UHFFFAOYSA-N 1 2 338.436 4.228 20 30 EIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000582067019 1026061658 /nfs/dbraw/zinc/06/16/58/1026061658.db2.gz BKYBNGCQKCUJOS-OAHLLOKOSA-N 1 2 341.480 4.120 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccn1 ZINC000182086733 1026212150 /nfs/dbraw/zinc/21/21/50/1026212150.db2.gz IKJZCBUPURHURL-KSFYIVLOSA-N 1 2 343.430 4.402 20 30 EIEDLO N#CC1(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)CC1 ZINC000550158252 1026242899 /nfs/dbraw/zinc/24/28/99/1026242899.db2.gz PJMKEHVDVXXSMK-HNNXBMFYSA-N 1 2 333.273 4.150 20 30 EIEDLO N#CC1(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)CC1 ZINC000550158252 1026242908 /nfs/dbraw/zinc/24/29/08/1026242908.db2.gz PJMKEHVDVXXSMK-HNNXBMFYSA-N 1 2 333.273 4.150 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1nc2ccccc2o1 ZINC000512213131 1026473744 /nfs/dbraw/zinc/47/37/44/1026473744.db2.gz QHWRGACZLGVRDQ-CQSZACIVSA-N 1 2 326.396 4.052 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1nc2ccccc2o1 ZINC000512213131 1026473752 /nfs/dbraw/zinc/47/37/52/1026473752.db2.gz QHWRGACZLGVRDQ-CQSZACIVSA-N 1 2 326.396 4.052 20 30 EIEDLO N#CCc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000342554265 1026635774 /nfs/dbraw/zinc/63/57/74/1026635774.db2.gz GWUMHFGBJAHCJV-UHFFFAOYSA-N 1 2 340.430 4.280 20 30 EIEDLO CC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1Br ZINC000507115819 1026637926 /nfs/dbraw/zinc/63/79/26/1026637926.db2.gz LMXCYGGQBSEAQM-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1Br ZINC000507115819 1026637930 /nfs/dbraw/zinc/63/79/30/1026637930.db2.gz LMXCYGGQBSEAQM-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507176191 1026678327 /nfs/dbraw/zinc/67/83/27/1026678327.db2.gz CNGFFLJVNPYQPF-CQSZACIVSA-N 1 2 343.833 4.234 20 30 EIEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507276798 1026726492 /nfs/dbraw/zinc/72/64/92/1026726492.db2.gz HJGZDUMJARZWJP-CQSZACIVSA-N 1 2 343.833 4.234 20 30 EIEDLO CC[C@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000375720055 1026854528 /nfs/dbraw/zinc/85/45/28/1026854528.db2.gz PZSKSHCVDBZXJZ-KSSFIOAISA-N 1 2 332.407 4.410 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(C)c(OC)c1C)c1ccc(F)c(F)c1 ZINC000187765914 1027068549 /nfs/dbraw/zinc/06/85/49/1027068549.db2.gz ZNKNRQQXSOVMHN-GOSISDBHSA-N 1 2 332.394 4.392 20 30 EIEDLO N#Cc1cccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211885978 1027175546 /nfs/dbraw/zinc/17/55/46/1027175546.db2.gz WJVZWQRMNFRPGE-ROUUACIJSA-N 1 2 330.391 4.164 20 30 EIEDLO N#Cc1cccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211886043 1027223486 /nfs/dbraw/zinc/22/34/86/1027223486.db2.gz WJVZWQRMNFRPGE-ZWKOTPCHSA-N 1 2 330.391 4.164 20 30 EIEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3ccc(C(C)C)cc31)C2 ZINC000896654454 1027766867 /nfs/dbraw/zinc/76/68/67/1027766867.db2.gz LKOBMAIXPPLXPE-UHFFFAOYSA-N 1 2 345.450 4.009 20 30 EIEDLO CC[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000329576728 1027859288 /nfs/dbraw/zinc/85/92/88/1027859288.db2.gz KCECHGZUNFMODU-MAUKXSAKSA-N 1 2 339.439 4.432 20 30 EIEDLO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011216 1027899229 /nfs/dbraw/zinc/89/92/29/1027899229.db2.gz PAMJCVRBVYDGNW-JZXOWHBKSA-N 1 2 341.455 4.101 20 30 EIEDLO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011216 1027899235 /nfs/dbraw/zinc/89/92/35/1027899235.db2.gz PAMJCVRBVYDGNW-JZXOWHBKSA-N 1 2 341.455 4.101 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](Cc2nnc(C(C)C)[nH]2)C(C)(C)C)cc1 ZINC000428375215 1027942333 /nfs/dbraw/zinc/94/23/33/1027942333.db2.gz RSYDEPVMWNHGBY-UHFFFAOYSA-N 1 2 342.487 4.294 20 30 EIEDLO C=CCOc1ccc(C[N@H+](Cc2nnc(C(C)C)[nH]2)C(C)(C)C)cc1 ZINC000428375215 1027942346 /nfs/dbraw/zinc/94/23/46/1027942346.db2.gz RSYDEPVMWNHGBY-UHFFFAOYSA-N 1 2 342.487 4.294 20 30 EIEDLO C[N@H+](Cc1csc(Br)c1)Cc1cc(C#N)ccc1F ZINC000047698747 1028152764 /nfs/dbraw/zinc/15/27/64/1028152764.db2.gz QFOWNMIQFUPWIL-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1csc(Br)c1)Cc1cc(C#N)ccc1F ZINC000047698747 1028152784 /nfs/dbraw/zinc/15/27/84/1028152784.db2.gz QFOWNMIQFUPWIL-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000329913091 1028153492 /nfs/dbraw/zinc/15/34/92/1028153492.db2.gz XCSVZQNZTMCXHM-WBVHZDCISA-N 1 2 332.492 4.108 20 30 EIEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000329913091 1028153503 /nfs/dbraw/zinc/15/35/03/1028153503.db2.gz XCSVZQNZTMCXHM-WBVHZDCISA-N 1 2 332.492 4.108 20 30 EIEDLO Cc1cn2cc(NC(=O)NC[C@H]3CCCCC(F)(F)C3)ccc2[nH+]1 ZINC000330282284 1028250358 /nfs/dbraw/zinc/25/03/58/1028250358.db2.gz ANAYTDFOAACLDX-ZDUSSCGKSA-N 1 2 336.386 4.184 20 30 EIEDLO N#Cc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000444006063 1028712735 /nfs/dbraw/zinc/71/27/35/1028712735.db2.gz UYRMBYDUQMAZCN-UHFFFAOYSA-N 1 2 328.419 4.370 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000440971860 1029170066 /nfs/dbraw/zinc/17/00/66/1029170066.db2.gz HNXQXEHBSZZLMM-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000440971860 1029170072 /nfs/dbraw/zinc/17/00/72/1029170072.db2.gz HNXQXEHBSZZLMM-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO C=C(Br)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000157705721 1029183965 /nfs/dbraw/zinc/18/39/65/1029183965.db2.gz RRJDMHOKKOCIMS-UHFFFAOYSA-N 1 2 347.256 4.174 20 30 EIEDLO C=C(Br)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000157705721 1029183975 /nfs/dbraw/zinc/18/39/75/1029183975.db2.gz RRJDMHOKKOCIMS-UHFFFAOYSA-N 1 2 347.256 4.174 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255587474 1029616346 /nfs/dbraw/zinc/61/63/46/1029616346.db2.gz GZKHOSNXPZGKHF-HJWRWDBZSA-N 1 2 325.437 4.293 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(F)c(F)c1 ZINC000450780972 1030001059 /nfs/dbraw/zinc/00/10/59/1030001059.db2.gz RGCSNCVCXMXDLM-HNNXBMFYSA-N 1 2 345.315 4.131 20 30 EIEDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(F)c1C#N ZINC000428480619 1030027340 /nfs/dbraw/zinc/02/73/40/1030027340.db2.gz CKCRIKDNGYOLJB-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(F)c1C#N ZINC000428480619 1030027360 /nfs/dbraw/zinc/02/73/60/1030027360.db2.gz CKCRIKDNGYOLJB-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450891459 1030093013 /nfs/dbraw/zinc/09/30/13/1030093013.db2.gz ZTSMVFRJRUYADU-UHFFFAOYSA-N 1 2 343.492 4.059 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450891459 1030093028 /nfs/dbraw/zinc/09/30/28/1030093028.db2.gz ZTSMVFRJRUYADU-UHFFFAOYSA-N 1 2 343.492 4.059 20 30 EIEDLO C=CCOc1c(Br)cc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000525996760 1030156190 /nfs/dbraw/zinc/15/61/90/1030156190.db2.gz GCVODGLPAOFBBJ-TXEJJXNPSA-N 1 2 340.261 4.005 20 30 EIEDLO C=CCOc1c(Br)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000525996760 1030156205 /nfs/dbraw/zinc/15/62/05/1030156205.db2.gz GCVODGLPAOFBBJ-TXEJJXNPSA-N 1 2 340.261 4.005 20 30 EIEDLO N#Cc1ccc(CCNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)cc1 ZINC001167678710 1030601888 /nfs/dbraw/zinc/60/18/88/1030601888.db2.gz VYWLKMSKOISYHO-UHFFFAOYSA-N 1 2 331.341 4.202 20 30 EIEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000451820742 1030724158 /nfs/dbraw/zinc/72/41/58/1030724158.db2.gz YZJGBSLJSBGIQP-QGZVFWFLSA-N 1 2 333.460 4.473 20 30 EIEDLO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 ZINC000255631088 1030782998 /nfs/dbraw/zinc/78/29/98/1030782998.db2.gz FYCHVYGZIRFQMN-UQCOIBPSSA-N 1 2 340.329 4.061 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761309 1030882977 /nfs/dbraw/zinc/88/29/77/1030882977.db2.gz OJIUVYZESIBMHJ-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761309 1030882984 /nfs/dbraw/zinc/88/29/84/1030882984.db2.gz OJIUVYZESIBMHJ-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO Cc1cc(C)c(NC(=O)CCC[N@H+](CC#N)C2CCCC2)c(C)c1 ZINC000137567126 1031168961 /nfs/dbraw/zinc/16/89/61/1031168961.db2.gz HHUIXSQWGNJNRC-UHFFFAOYSA-N 1 2 327.472 4.099 20 30 EIEDLO Cc1cc(C)c(NC(=O)CCC[N@@H+](CC#N)C2CCCC2)c(C)c1 ZINC000137567126 1031168991 /nfs/dbraw/zinc/16/89/91/1031168991.db2.gz HHUIXSQWGNJNRC-UHFFFAOYSA-N 1 2 327.472 4.099 20 30 EIEDLO C[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039438 1031377674 /nfs/dbraw/zinc/37/76/74/1031377674.db2.gz CEHAVMZCZDDQLD-VLIAUNLRSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039438 1031377694 /nfs/dbraw/zinc/37/76/94/1031377694.db2.gz CEHAVMZCZDDQLD-VLIAUNLRSA-N 1 2 342.389 4.013 20 30 EIEDLO COc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000364790816 1031409763 /nfs/dbraw/zinc/40/97/63/1031409763.db2.gz NRPNOMPCMCIGIO-KBPBESRZSA-N 1 2 348.406 4.029 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459338835 1031857324 /nfs/dbraw/zinc/85/73/24/1031857324.db2.gz AVVNYLDTULQORK-MRXNPFEDSA-N 1 2 349.482 4.184 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459338835 1031857329 /nfs/dbraw/zinc/85/73/29/1031857329.db2.gz AVVNYLDTULQORK-MRXNPFEDSA-N 1 2 349.482 4.184 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000509767887 1033394267 /nfs/dbraw/zinc/39/42/67/1033394267.db2.gz SONUGLGACYVROQ-GOSISDBHSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000509767887 1033394282 /nfs/dbraw/zinc/39/42/82/1033394282.db2.gz SONUGLGACYVROQ-GOSISDBHSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611127 1033492379 /nfs/dbraw/zinc/49/23/79/1033492379.db2.gz HZPNTGKKPIJCDJ-QFBILLFUSA-N 1 2 337.442 4.013 20 30 EIEDLO C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611127 1033492383 /nfs/dbraw/zinc/49/23/83/1033492383.db2.gz HZPNTGKKPIJCDJ-QFBILLFUSA-N 1 2 337.442 4.013 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](CCC#N)C(C)C)o2)cc1 ZINC000614231862 1033856500 /nfs/dbraw/zinc/85/65/00/1033856500.db2.gz KXLAIYOYCCPUIU-UHFFFAOYSA-N 1 2 340.423 4.247 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CCC#N)C(C)C)o2)cc1 ZINC000614231862 1033856503 /nfs/dbraw/zinc/85/65/03/1033856503.db2.gz KXLAIYOYCCPUIU-UHFFFAOYSA-N 1 2 340.423 4.247 20 30 EIEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181895 1034639023 /nfs/dbraw/zinc/63/90/23/1034639023.db2.gz UVXCBJGITZHMLQ-RYUDHWBXSA-N 1 2 332.835 4.369 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000595623598 1035736785 /nfs/dbraw/zinc/73/67/85/1035736785.db2.gz UVLBLHHOLGKPQI-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000595623598 1035736808 /nfs/dbraw/zinc/73/68/08/1035736808.db2.gz UVLBLHHOLGKPQI-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619440 1035736224 /nfs/dbraw/zinc/73/62/24/1035736224.db2.gz BEKTVWRWGAXSQV-CHWSQXEVSA-N 1 2 330.432 4.031 20 30 EIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619440 1035736242 /nfs/dbraw/zinc/73/62/42/1035736242.db2.gz BEKTVWRWGAXSQV-CHWSQXEVSA-N 1 2 330.432 4.031 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610936 1035747433 /nfs/dbraw/zinc/74/74/33/1035747433.db2.gz DGCROTSAAMXGGO-KRWDZBQOSA-N 1 2 341.499 4.498 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610936 1035747463 /nfs/dbraw/zinc/74/74/63/1035747463.db2.gz DGCROTSAAMXGGO-KRWDZBQOSA-N 1 2 341.499 4.498 20 30 EIEDLO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595609363 1035752670 /nfs/dbraw/zinc/75/26/70/1035752670.db2.gz IZJRFQVUFUXOFG-INIZCTEOSA-N 1 2 325.481 4.498 20 30 EIEDLO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595609363 1035752700 /nfs/dbraw/zinc/75/27/00/1035752700.db2.gz IZJRFQVUFUXOFG-INIZCTEOSA-N 1 2 325.481 4.498 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1F ZINC000595747431 1035781072 /nfs/dbraw/zinc/78/10/72/1035781072.db2.gz JBKBCGQHIDYQKI-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cc1F ZINC000595747431 1035781089 /nfs/dbraw/zinc/78/10/89/1035781089.db2.gz JBKBCGQHIDYQKI-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO O=C1c2ccccc2C(Nc2[nH+]cnc3[nH]ccc32)=C1c1ccccc1 ZINC001168410657 1036100727 /nfs/dbraw/zinc/10/07/27/1036100727.db2.gz KOGCKJNLRRIEEK-UHFFFAOYSA-N 1 2 338.370 4.135 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000571705578 1036133577 /nfs/dbraw/zinc/13/35/77/1036133577.db2.gz CNZIJMSGGDXULX-UHFFFAOYSA-N 1 2 347.418 4.139 20 30 EIEDLO C=C(Cl)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016379877 1036304030 /nfs/dbraw/zinc/30/40/30/1036304030.db2.gz MEPIENFHGDHVHK-HXUWFJFHSA-N 1 2 343.854 4.404 20 30 EIEDLO C=C(Cl)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016379877 1036304053 /nfs/dbraw/zinc/30/40/53/1036304053.db2.gz MEPIENFHGDHVHK-HXUWFJFHSA-N 1 2 343.854 4.404 20 30 EIEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(OC(F)F)c1 ZINC000513751193 1036498173 /nfs/dbraw/zinc/49/81/73/1036498173.db2.gz YRZVKGYXGPPCNC-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(OC(F)F)c1 ZINC000513751193 1036498177 /nfs/dbraw/zinc/49/81/77/1036498177.db2.gz YRZVKGYXGPPCNC-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000602596690 1036507237 /nfs/dbraw/zinc/50/72/37/1036507237.db2.gz MVGXKVJVNOJWKI-CJNGLKHVSA-N 1 2 326.362 4.019 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000602596690 1036507254 /nfs/dbraw/zinc/50/72/54/1036507254.db2.gz MVGXKVJVNOJWKI-CJNGLKHVSA-N 1 2 326.362 4.019 20 30 EIEDLO Cc1[nH+]cn(-c2ccc(N[C@@H](C)CC3(C#N)CCOCC3)cc2)c1C ZINC000602678385 1036567878 /nfs/dbraw/zinc/56/78/78/1036567878.db2.gz WDZGSPKTRPNNCW-HNNXBMFYSA-N 1 2 338.455 4.000 20 30 EIEDLO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCC3(F)F)c2)c1 ZINC000588929961 1036607522 /nfs/dbraw/zinc/60/75/22/1036607522.db2.gz DQQQXYHYIKIJSX-LJQANCHMSA-N 1 2 342.389 4.415 20 30 EIEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835315 1036636315 /nfs/dbraw/zinc/63/63/15/1036636315.db2.gz ALMQQGVHZDOHBC-CJNGLKHVSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835315 1036636324 /nfs/dbraw/zinc/63/63/24/1036636324.db2.gz ALMQQGVHZDOHBC-CJNGLKHVSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602840853 1036649015 /nfs/dbraw/zinc/64/90/15/1036649015.db2.gz ORKBUOULGIYOPN-CJNGLKHVSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CC1(CC#N)CC1 ZINC000602840853 1036649028 /nfs/dbraw/zinc/64/90/28/1036649028.db2.gz ORKBUOULGIYOPN-CJNGLKHVSA-N 1 2 338.373 4.161 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602884530 1036660217 /nfs/dbraw/zinc/66/02/17/1036660217.db2.gz NSKXYHYVRMHROA-ZDUSSCGKSA-N 1 2 349.356 4.486 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602884530 1036660224 /nfs/dbraw/zinc/66/02/24/1036660224.db2.gz NSKXYHYVRMHROA-ZDUSSCGKSA-N 1 2 349.356 4.486 20 30 EIEDLO C=CC(C)(C)CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907811378 1036731908 /nfs/dbraw/zinc/73/19/08/1036731908.db2.gz SUAKLBXBGSCTHG-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CC(C)(C)CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907811378 1036731931 /nfs/dbraw/zinc/73/19/31/1036731931.db2.gz SUAKLBXBGSCTHG-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815122 1036734199 /nfs/dbraw/zinc/73/41/99/1036734199.db2.gz JABSBJXVQXNCCB-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO C=CCC(C)(C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815122 1036734217 /nfs/dbraw/zinc/73/42/17/1036734217.db2.gz JABSBJXVQXNCCB-HNNXBMFYSA-N 1 2 329.488 4.033 20 30 EIEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000272509429 1037206907 /nfs/dbraw/zinc/20/69/07/1037206907.db2.gz FWNUNJQHLCVRBA-UHFFFAOYSA-N 1 2 349.434 4.043 20 30 EIEDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272515672 1037208707 /nfs/dbraw/zinc/20/87/07/1037208707.db2.gz GUPSZULVIWKSOA-HXUWFJFHSA-N 1 2 347.462 4.301 20 30 EIEDLO N#Cc1cnccc1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000592123667 1037736128 /nfs/dbraw/zinc/73/61/28/1037736128.db2.gz XUTZJPQCJDCHQF-IBGZPJMESA-N 1 2 327.378 4.015 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000489462617 1038074345 /nfs/dbraw/zinc/07/43/45/1038074345.db2.gz KZSDGSNAUUWXFG-ZDUSSCGKSA-N 1 2 340.261 4.007 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000489462617 1038074381 /nfs/dbraw/zinc/07/43/81/1038074381.db2.gz KZSDGSNAUUWXFG-ZDUSSCGKSA-N 1 2 340.261 4.007 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000173529478 1038392806 /nfs/dbraw/zinc/39/28/06/1038392806.db2.gz GSIKEHYIGMXTTI-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000173529478 1038392815 /nfs/dbraw/zinc/39/28/15/1038392815.db2.gz GSIKEHYIGMXTTI-OAHLLOKOSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(CCOC)s1 ZINC000637867436 1038545538 /nfs/dbraw/zinc/54/55/38/1038545538.db2.gz IOHQAZQSTVYTKR-UHFFFAOYSA-N 1 2 342.917 4.235 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(CCOC)s1 ZINC000637867436 1038545791 /nfs/dbraw/zinc/54/57/91/1038545791.db2.gz IOHQAZQSTVYTKR-UHFFFAOYSA-N 1 2 342.917 4.235 20 30 EIEDLO C=CCOCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000555423397 1039180742 /nfs/dbraw/zinc/18/07/42/1039180742.db2.gz OJDYLRJVBGYJAO-UHFFFAOYSA-N 1 2 333.476 4.069 20 30 EIEDLO C=CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000128535226 1039195994 /nfs/dbraw/zinc/19/59/94/1039195994.db2.gz UUWICSCVCZSFKP-LBPRGKRZSA-N 1 2 336.892 4.212 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cc(C#N)cs3)[C@@H](C)CO2)c1 ZINC000537633460 1039263621 /nfs/dbraw/zinc/26/36/21/1039263621.db2.gz PXYZOMGRTBIPCT-HNAYVOBHSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cc(C#N)cs3)[C@@H](C)CO2)c1 ZINC000537633460 1039263639 /nfs/dbraw/zinc/26/36/39/1039263639.db2.gz PXYZOMGRTBIPCT-HNAYVOBHSA-N 1 2 326.465 4.199 20 30 EIEDLO C=C(C)CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000505455616 1039757081 /nfs/dbraw/zinc/75/70/81/1039757081.db2.gz OIMOSUNUYKTCST-UHFFFAOYSA-N 1 2 342.512 4.312 20 30 EIEDLO Cc1cc2[nH]c(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2c(C)c1 ZINC000481986981 1039931070 /nfs/dbraw/zinc/93/10/70/1039931070.db2.gz WAZANBHBLGJVDN-JOCHJYFZSA-N 1 2 345.446 4.230 20 30 EIEDLO Cc1cc2[nH]c(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2c(C)c1 ZINC000481986981 1039931092 /nfs/dbraw/zinc/93/10/92/1039931092.db2.gz WAZANBHBLGJVDN-JOCHJYFZSA-N 1 2 345.446 4.230 20 30 EIEDLO COc1c(Br)cccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000481995993 1039954521 /nfs/dbraw/zinc/95/45/21/1039954521.db2.gz ZCNULJMZLWSKSC-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO COc1c(Br)cccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000481995993 1039954540 /nfs/dbraw/zinc/95/45/40/1039954540.db2.gz ZCNULJMZLWSKSC-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cc1OC ZINC000160423472 1040512455 /nfs/dbraw/zinc/51/24/55/1040512455.db2.gz LPRDMAJVPLRBSU-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cc1OC ZINC000160423472 1040512480 /nfs/dbraw/zinc/51/24/80/1040512480.db2.gz LPRDMAJVPLRBSU-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000425515892 1041087763 /nfs/dbraw/zinc/08/77/63/1041087763.db2.gz UHQJASKNDWYKOP-UHFFFAOYSA-N 1 2 332.806 4.384 20 30 EIEDLO Cc1cc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)o2)c(C)o1 ZINC000425537754 1041192303 /nfs/dbraw/zinc/19/23/03/1041192303.db2.gz RBBBYGQHWHDWFO-CYBMUJFWSA-N 1 2 336.395 4.011 20 30 EIEDLO Cc1cc(-c2nnc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)o2)c(C)o1 ZINC000425537754 1041192314 /nfs/dbraw/zinc/19/23/14/1041192314.db2.gz RBBBYGQHWHDWFO-CYBMUJFWSA-N 1 2 336.395 4.011 20 30 EIEDLO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1C#N ZINC000480495087 1041334509 /nfs/dbraw/zinc/33/45/09/1041334509.db2.gz AVGXWESNZQCMFN-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1C#N ZINC000480495087 1041334526 /nfs/dbraw/zinc/33/45/26/1041334526.db2.gz AVGXWESNZQCMFN-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000538953855 1041589620 /nfs/dbraw/zinc/58/96/20/1041589620.db2.gz JLIJAZXXFGSBIT-UHFFFAOYSA-N 1 2 333.229 4.255 20 30 EIEDLO C=CC[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000538953855 1041589626 /nfs/dbraw/zinc/58/96/26/1041589626.db2.gz JLIJAZXXFGSBIT-UHFFFAOYSA-N 1 2 333.229 4.255 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Cl)cc1F ZINC000491616164 1042481968 /nfs/dbraw/zinc/48/19/68/1042481968.db2.gz ADTNAQXQUNDJEN-DJJJIMSYSA-N 1 2 342.801 4.234 20 30 EIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000152155966 1042693193 /nfs/dbraw/zinc/69/31/93/1042693193.db2.gz IJMJWSIFYBJBEE-UHFFFAOYSA-N 1 2 345.516 4.132 20 30 EIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC)CCCC)c1=S ZINC000152155966 1042693199 /nfs/dbraw/zinc/69/31/99/1042693199.db2.gz IJMJWSIFYBJBEE-UHFFFAOYSA-N 1 2 345.516 4.132 20 30 EIEDLO Cc1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1C#N ZINC000443982412 1042717089 /nfs/dbraw/zinc/71/70/89/1042717089.db2.gz CBYQZNFXWYZZAU-UHFFFAOYSA-N 1 2 340.430 4.394 20 30 EIEDLO CCOc1cccc(/C=[NH+]/CCCc2nc3c(s2)CCCC3)c1O ZINC000727062558 1043127954 /nfs/dbraw/zinc/12/79/54/1043127954.db2.gz YZRHTEBWUPPIMQ-DEDYPNTBSA-N 1 2 344.480 4.178 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc([C@@H](C)OCC)n1 ZINC000076723019 1043140048 /nfs/dbraw/zinc/14/00/48/1043140048.db2.gz FYRLOUVPQDUKFD-MRXNPFEDSA-N 1 2 330.497 4.471 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc([C@@H](C)OCC)n1 ZINC000076723019 1043140057 /nfs/dbraw/zinc/14/00/57/1043140057.db2.gz FYRLOUVPQDUKFD-MRXNPFEDSA-N 1 2 330.497 4.471 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cccs1 ZINC000019540505 1043499688 /nfs/dbraw/zinc/49/96/88/1043499688.db2.gz LZXPZGSOZVJNLE-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cccs1 ZINC000019540505 1043499702 /nfs/dbraw/zinc/49/97/02/1043499702.db2.gz LZXPZGSOZVJNLE-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cccs1 ZINC000019540644 1043500284 /nfs/dbraw/zinc/50/02/84/1043500284.db2.gz NAZLVCFYTWHGOB-AWEZNQCLSA-N 1 2 348.899 4.267 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cccs1 ZINC000019540644 1043500296 /nfs/dbraw/zinc/50/02/96/1043500296.db2.gz NAZLVCFYTWHGOB-AWEZNQCLSA-N 1 2 348.899 4.267 20 30 EIEDLO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ccc(Cl)nc2)cc1 ZINC000751530527 1043507925 /nfs/dbraw/zinc/50/79/25/1043507925.db2.gz YLZPJGMXUWCOQA-UHFFFAOYSA-N 1 2 325.803 4.065 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC001137829214 1043579242 /nfs/dbraw/zinc/57/92/42/1043579242.db2.gz ABZWKJAGFJRUJU-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC001137829214 1043579222 /nfs/dbraw/zinc/57/92/22/1043579222.db2.gz ABZWKJAGFJRUJU-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO CCCCCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000731804142 1043829084 /nfs/dbraw/zinc/82/90/84/1043829084.db2.gz LXDQBTCSYQYUIW-UHFFFAOYSA-N 1 2 343.471 4.082 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000732183873 1043883845 /nfs/dbraw/zinc/88/38/45/1043883845.db2.gz UKEKWQXQYAGOSJ-AWEZNQCLSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000732183873 1043883850 /nfs/dbraw/zinc/88/38/50/1043883850.db2.gz UKEKWQXQYAGOSJ-AWEZNQCLSA-N 1 2 348.491 4.342 20 30 EIEDLO Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000115381842 1043897731 /nfs/dbraw/zinc/89/77/31/1043897731.db2.gz BLGGSAKHKNJZBS-UHFFFAOYSA-N 1 2 343.386 4.093 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000121126423 1044555841 /nfs/dbraw/zinc/55/58/41/1044555841.db2.gz WWZZFRUSLSXGHN-UHFFFAOYSA-N 1 2 346.356 4.184 20 30 EIEDLO Clc1ccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000914696786 1044669962 /nfs/dbraw/zinc/66/99/62/1044669962.db2.gz NTOOBEWCZDLMNQ-UHFFFAOYSA-N 1 2 345.233 4.303 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000735306762 1044792098 /nfs/dbraw/zinc/79/20/98/1044792098.db2.gz SZCITZWYZVQYBR-LBPRGKRZSA-N 1 2 332.753 4.017 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000735306762 1044792122 /nfs/dbraw/zinc/79/21/22/1044792122.db2.gz SZCITZWYZVQYBR-LBPRGKRZSA-N 1 2 332.753 4.017 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000735306761 1044792871 /nfs/dbraw/zinc/79/28/71/1044792871.db2.gz SZCITZWYZVQYBR-GFCCVEGCSA-N 1 2 332.753 4.017 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000735306761 1044792893 /nfs/dbraw/zinc/79/28/93/1044792893.db2.gz SZCITZWYZVQYBR-GFCCVEGCSA-N 1 2 332.753 4.017 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000154586231 1044815065 /nfs/dbraw/zinc/81/50/65/1044815065.db2.gz ATOOEUYJWKDGMR-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000154586231 1044815067 /nfs/dbraw/zinc/81/50/67/1044815067.db2.gz ATOOEUYJWKDGMR-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO N#CC1(C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000499963210 1044847447 /nfs/dbraw/zinc/84/74/47/1044847447.db2.gz ITPZJEDLLAGGAI-UHFFFAOYSA-N 1 2 326.337 4.270 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428962588 1044910017 /nfs/dbraw/zinc/91/00/17/1044910017.db2.gz KOSQBMVNCQNENY-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428962588 1044910044 /nfs/dbraw/zinc/91/00/44/1044910044.db2.gz KOSQBMVNCQNENY-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915051465 1045010835 /nfs/dbraw/zinc/01/08/35/1045010835.db2.gz VURADITVKFXELZ-UHFFFAOYSA-N 1 2 345.328 4.122 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000738253083 1045051226 /nfs/dbraw/zinc/05/12/26/1045051226.db2.gz DEBMDPQNMFOCDG-OAHLLOKOSA-N 1 2 346.500 4.330 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000738253083 1045051241 /nfs/dbraw/zinc/05/12/41/1045051241.db2.gz DEBMDPQNMFOCDG-OAHLLOKOSA-N 1 2 346.500 4.330 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(OC(F)(F)F)c1 ZINC000740765736 1045220130 /nfs/dbraw/zinc/22/01/30/1045220130.db2.gz PVJIAYFVSVZCEO-FPLPWBNLSA-N 1 2 332.281 4.129 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@@H+](C)CCCOC(C)C)c1=S ZINC000740859468 1045228995 /nfs/dbraw/zinc/22/89/95/1045228995.db2.gz QHKZUNHLLMXENC-UHFFFAOYSA-N 1 2 333.501 4.063 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@H+](C)CCCOC(C)C)c1=S ZINC000740859468 1045229002 /nfs/dbraw/zinc/22/90/02/1045229002.db2.gz QHKZUNHLLMXENC-UHFFFAOYSA-N 1 2 333.501 4.063 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 ZINC000611386616 1045294142 /nfs/dbraw/zinc/29/41/42/1045294142.db2.gz PXJWQYCFXBMDTH-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(C#N)c1 ZINC000611389412 1045295272 /nfs/dbraw/zinc/29/52/72/1045295272.db2.gz VQTSHSVFNBPCBO-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1noc(-c2ccccc2)n1 ZINC000611393806 1045299622 /nfs/dbraw/zinc/29/96/22/1045299622.db2.gz MFAOTXZGHWKAQY-LIRRHRJNSA-N 1 2 344.418 4.336 20 30 EIEDLO COc1ccc(O)c(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)c1 ZINC000762600390 1045309809 /nfs/dbraw/zinc/30/98/09/1045309809.db2.gz NZGDMYHFRQJBCW-NTMALXAHSA-N 1 2 336.391 4.068 20 30 EIEDLO C=Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000193780212 1045469631 /nfs/dbraw/zinc/46/96/31/1045469631.db2.gz QGRORULGUOCIDD-UHFFFAOYSA-N 1 2 346.409 4.197 20 30 EIEDLO C=Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000193780212 1045469641 /nfs/dbraw/zinc/46/96/41/1045469641.db2.gz QGRORULGUOCIDD-UHFFFAOYSA-N 1 2 346.409 4.197 20 30 EIEDLO Fc1ccc(CN[NH+]=Cc2ccc(N3CCCCC3)s2)cc1F ZINC000915977310 1045849676 /nfs/dbraw/zinc/84/96/76/1045849676.db2.gz YUOPHDGDTXWZOG-UHFFFAOYSA-N 1 2 335.423 4.140 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2c(O)ccc(Cl)c2F)C2CC2)cc1 ZINC000792162115 1045865116 /nfs/dbraw/zinc/86/51/16/1045865116.db2.gz FAWRBVYLNKWSTM-UHFFFAOYSA-N 1 2 330.790 4.221 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2c(O)ccc(Cl)c2F)C2CC2)cc1 ZINC000792162115 1045865121 /nfs/dbraw/zinc/86/51/21/1045865121.db2.gz FAWRBVYLNKWSTM-UHFFFAOYSA-N 1 2 330.790 4.221 20 30 EIEDLO Fc1ccc(CN[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1F ZINC000763356528 1045922517 /nfs/dbraw/zinc/92/25/17/1045922517.db2.gz SIWRCEHOACASPL-UHFFFAOYSA-N 1 2 349.812 4.342 20 30 EIEDLO Cc1cc(Cl)cc2c1OCC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769613790 1046032935 /nfs/dbraw/zinc/03/29/35/1046032935.db2.gz DQAKRMPGABZYCH-JLHYYAGUSA-N 1 2 338.794 4.345 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000769610518 1046034392 /nfs/dbraw/zinc/03/43/92/1046034392.db2.gz SATTZKJKPIZINI-BQYQJAHWSA-N 1 2 332.281 4.129 20 30 EIEDLO Fc1ccc(C(C[C@@H]2CCOC2)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000792999177 1046123683 /nfs/dbraw/zinc/12/36/83/1046123683.db2.gz LNVZYQXOZGREQG-HNNXBMFYSA-N 1 2 349.409 4.039 20 30 EIEDLO COc1c(C)cc(CNc2[nH+]cccc2OCCCC#N)cc1C ZINC000162245722 1046160389 /nfs/dbraw/zinc/16/03/89/1046160389.db2.gz BGHDJVQDZSRUDM-UHFFFAOYSA-N 1 2 325.412 4.002 20 30 EIEDLO COc1ccc2cc(C(=O)/C=C/c3cccc4[nH+]ccn43)ccc2c1 ZINC000771281233 1046358634 /nfs/dbraw/zinc/35/86/34/1046358634.db2.gz LLQMKNMPWVVGOT-CSKARUKUSA-N 1 2 328.371 4.392 20 30 EIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1F ZINC000771860378 1046516246 /nfs/dbraw/zinc/51/62/46/1046516246.db2.gz RCDZUPRHLFIYBU-AATRIKPKSA-N 1 2 326.396 4.400 20 30 EIEDLO c1cn(-c2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)c[nH+]1 ZINC000917025145 1046567252 /nfs/dbraw/zinc/56/72/52/1046567252.db2.gz FGMXRNKADDMQQZ-UHFFFAOYSA-N 1 2 345.431 4.442 20 30 EIEDLO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)c(OCc2ccccc2)n1 ZINC000459480279 1046705814 /nfs/dbraw/zinc/70/58/14/1046705814.db2.gz OXZYUBHVUOBVFZ-ICSRJNTNSA-N 1 2 335.451 4.059 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000128727392 1047044976 /nfs/dbraw/zinc/04/49/76/1047044976.db2.gz NNXMXUVNLSOJFR-UHFFFAOYSA-N 1 2 325.437 4.029 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(-c2ccsc2)n1 ZINC000128727392 1047044992 /nfs/dbraw/zinc/04/49/92/1047044992.db2.gz NNXMXUVNLSOJFR-UHFFFAOYSA-N 1 2 325.437 4.029 20 30 EIEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC001170507641 1047257934 /nfs/dbraw/zinc/25/79/34/1047257934.db2.gz OKCWIAALDZECDR-QGZVFWFLSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC001170507641 1047257943 /nfs/dbraw/zinc/25/79/43/1047257943.db2.gz OKCWIAALDZECDR-QGZVFWFLSA-N 1 2 335.234 4.030 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069068756 1047322582 /nfs/dbraw/zinc/32/25/82/1047322582.db2.gz AIBYKZNIUHZDTP-CQSZACIVSA-N 1 2 330.453 4.189 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069068756 1047322593 /nfs/dbraw/zinc/32/25/93/1047322593.db2.gz AIBYKZNIUHZDTP-CQSZACIVSA-N 1 2 330.453 4.189 20 30 EIEDLO Cc1c(Cl)ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1Cl ZINC000897600231 1047337620 /nfs/dbraw/zinc/33/76/20/1047337620.db2.gz YTICQBLZIPBYFA-UHFFFAOYSA-N 1 2 340.250 4.140 20 30 EIEDLO C#CC[N@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC001170096667 1047361395 /nfs/dbraw/zinc/36/13/95/1047361395.db2.gz YVIIVUSCMKHKQX-CALCHBBNSA-N 1 2 337.385 4.060 20 30 EIEDLO C#CC[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC001170096667 1047361381 /nfs/dbraw/zinc/36/13/81/1047361381.db2.gz YVIIVUSCMKHKQX-CALCHBBNSA-N 1 2 337.385 4.060 20 30 EIEDLO N#CC(CC[N@@H+]1Cc2cccnc2C1)(c1ccccc1)c1ccccc1 ZINC000556087576 1047439070 /nfs/dbraw/zinc/43/90/70/1047439070.db2.gz VQMGLBHOMGJDKD-UHFFFAOYSA-N 1 2 339.442 4.297 20 30 EIEDLO N#CC(CC[N@H+]1Cc2cccnc2C1)(c1ccccc1)c1ccccc1 ZINC000556087576 1047439074 /nfs/dbraw/zinc/43/90/74/1047439074.db2.gz VQMGLBHOMGJDKD-UHFFFAOYSA-N 1 2 339.442 4.297 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000537500464 1047648093 /nfs/dbraw/zinc/64/80/93/1047648093.db2.gz LZIYXFNCICSDOS-LJQANCHMSA-N 1 2 347.443 4.089 20 30 EIEDLO N#CCC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000130598101 1047747972 /nfs/dbraw/zinc/74/79/72/1047747972.db2.gz DTYBRCATSMAACC-QGZVFWFLSA-N 1 2 334.448 4.340 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000083113408 1047812613 /nfs/dbraw/zinc/81/26/13/1047812613.db2.gz YDBYAKVFBZKSMM-SUMWQHHRSA-N 1 2 346.475 4.088 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1=S ZINC000083113408 1047812614 /nfs/dbraw/zinc/81/26/14/1047812614.db2.gz YDBYAKVFBZKSMM-SUMWQHHRSA-N 1 2 346.475 4.088 20 30 EIEDLO Nc1nc2c(s1)C(=[NH+]Nc1ccnc3cc(Cl)ccc31)CCC2 ZINC000814693864 1048137734 /nfs/dbraw/zinc/13/77/34/1048137734.db2.gz LCRCNYDZKYTHTM-UHFFFAOYSA-N 1 2 343.843 4.079 20 30 EIEDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(Cl)cccc1C#N ZINC001143732974 1048170223 /nfs/dbraw/zinc/17/02/23/1048170223.db2.gz ZRSCJUNGKYQPNQ-UHFFFAOYSA-N 1 2 327.859 4.300 20 30 EIEDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(Cl)cccc1C#N ZINC001143732974 1048170228 /nfs/dbraw/zinc/17/02/28/1048170228.db2.gz ZRSCJUNGKYQPNQ-UHFFFAOYSA-N 1 2 327.859 4.300 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001143732523 1048170432 /nfs/dbraw/zinc/17/04/32/1048170432.db2.gz QMQNEWAWJOEBOC-UHFFFAOYSA-N 1 2 343.833 4.063 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001143732523 1048170437 /nfs/dbraw/zinc/17/04/37/1048170437.db2.gz QMQNEWAWJOEBOC-UHFFFAOYSA-N 1 2 343.833 4.063 20 30 EIEDLO Fc1c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cccc1C(F)(F)F ZINC001138006773 1048180620 /nfs/dbraw/zinc/18/06/20/1048180620.db2.gz ISTDBDYJKSDNRZ-NSHDSACASA-N 1 2 329.259 4.414 20 30 EIEDLO Fc1c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cccc1C(F)(F)F ZINC001138006773 1048180623 /nfs/dbraw/zinc/18/06/23/1048180623.db2.gz ISTDBDYJKSDNRZ-NSHDSACASA-N 1 2 329.259 4.414 20 30 EIEDLO C=CC[C@@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccc1 ZINC001143857600 1048251898 /nfs/dbraw/zinc/25/18/98/1048251898.db2.gz LQMNTJZXHNQGDB-QGZVFWFLSA-N 1 2 343.496 4.283 20 30 EIEDLO COc1ccc(F)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1F ZINC001143970821 1048324371 /nfs/dbraw/zinc/32/43/71/1048324371.db2.gz MECASVZMXIRMFH-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(Cl)cc1F ZINC000809699616 1048462916 /nfs/dbraw/zinc/46/29/16/1048462916.db2.gz QWUICADPDVWJTJ-QGZVFWFLSA-N 1 2 347.817 4.269 20 30 EIEDLO C#CCCOc1ccc(C[NH2+][C@H](C#C)c2ccc(Cl)cc2F)cc1 ZINC000809698411 1048463439 /nfs/dbraw/zinc/46/34/39/1048463439.db2.gz BJDZFULONDQZKD-HXUWFJFHSA-N 1 2 341.813 4.345 20 30 EIEDLO Cc1cc(C(N)=[NH+]OCc2cc(Cl)cc3cccnc32)ccc1F ZINC000920401298 1048666220 /nfs/dbraw/zinc/66/62/20/1048666220.db2.gz MGEQMPOXZFEPAR-UHFFFAOYSA-N 1 2 343.789 4.173 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689807 1048808626 /nfs/dbraw/zinc/80/86/26/1048808626.db2.gz OEEKYPGQZLSBLW-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689807 1048808632 /nfs/dbraw/zinc/80/86/32/1048808632.db2.gz OEEKYPGQZLSBLW-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519270 1048824692 /nfs/dbraw/zinc/82/46/92/1048824692.db2.gz DSKHPDRSHHEXKM-MAUKXSAKSA-N 1 2 344.817 4.456 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519270 1048824694 /nfs/dbraw/zinc/82/46/94/1048824694.db2.gz DSKHPDRSHHEXKM-MAUKXSAKSA-N 1 2 344.817 4.456 20 30 EIEDLO COc1c(F)ccc(F)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001144744973 1048842749 /nfs/dbraw/zinc/84/27/49/1048842749.db2.gz JYPXZTRMDPJDQF-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231001 1048869996 /nfs/dbraw/zinc/86/99/96/1048869996.db2.gz ZPVBQANRMAZJMF-FOIQADDNSA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231001 1048869997 /nfs/dbraw/zinc/86/99/97/1048869997.db2.gz ZPVBQANRMAZJMF-FOIQADDNSA-N 1 2 340.854 4.216 20 30 EIEDLO C=CCC[C@H](C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001132621028 1048953258 /nfs/dbraw/zinc/95/32/58/1048953258.db2.gz BVXIUSGSGCGIPX-SFTDATJTSA-N 1 2 334.463 4.039 20 30 EIEDLO C=CCC[C@H](C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001132621028 1048953271 /nfs/dbraw/zinc/95/32/71/1048953271.db2.gz BVXIUSGSGCGIPX-SFTDATJTSA-N 1 2 334.463 4.039 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000806082175 1049004765 /nfs/dbraw/zinc/00/47/65/1049004765.db2.gz VTJOQWVEDXERPF-SFHVURJKSA-N 1 2 346.519 4.226 20 30 EIEDLO C=CCC1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCOCC1 ZINC000819157882 1049267502 /nfs/dbraw/zinc/26/75/02/1049267502.db2.gz ZCDCWCOLDKHTOK-UHFFFAOYSA-N 1 2 339.439 4.005 20 30 EIEDLO C[C@H](N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C)c1ccncc1 ZINC000819817552 1049374551 /nfs/dbraw/zinc/37/45/51/1049374551.db2.gz APAXQLJCKVHWHA-NSHDSACASA-N 1 2 337.254 4.139 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1csc(-c2ccccc2F)n1 ZINC000812245418 1049400954 /nfs/dbraw/zinc/40/09/54/1049400954.db2.gz UCCPTXSTJZOFKC-CMDGGOBGSA-N 1 2 349.390 4.493 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 ZINC000812792443 1049569992 /nfs/dbraw/zinc/56/99/92/1049569992.db2.gz ACAJPCXBLBETSF-MRXNPFEDSA-N 1 2 325.280 4.448 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H](CC#N)c3ccccc3)c2)[nH+]c1C ZINC001136399185 1049583602 /nfs/dbraw/zinc/58/36/02/1049583602.db2.gz MUDZCSQXMOITLY-IBGZPJMESA-N 1 2 344.418 4.330 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1ccc(F)cc1 ZINC000812793920 1049591779 /nfs/dbraw/zinc/59/17/79/1049591779.db2.gz KEKCDJDEDFADJK-OAQYLSRUSA-N 1 2 334.369 4.491 20 30 EIEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](Cc1ccccn1)C(=O)OCC ZINC001172350173 1049891410 /nfs/dbraw/zinc/89/14/10/1049891410.db2.gz KXPMZGQCGAEZBQ-MJGOQNOKSA-N 1 2 334.504 4.285 20 30 EIEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172493691 1049922245 /nfs/dbraw/zinc/92/22/45/1049922245.db2.gz BZQYZRJYNJQDPS-IRXDYDNUSA-N 1 2 344.503 4.049 20 30 EIEDLO C[C@@H](CCCC#N)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172493691 1049922250 /nfs/dbraw/zinc/92/22/50/1049922250.db2.gz BZQYZRJYNJQDPS-IRXDYDNUSA-N 1 2 344.503 4.049 20 30 EIEDLO Cc1ccc2c(c1)C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC2 ZINC001172826282 1050166531 /nfs/dbraw/zinc/16/65/31/1050166531.db2.gz TZOGBUNNLPMXBQ-GFCCVEGCSA-N 1 2 343.286 4.275 20 30 EIEDLO C=CC[C@@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211768 1050371166 /nfs/dbraw/zinc/37/11/66/1050371166.db2.gz RAUGHHYJAKJDOX-DYESRHJHSA-N 1 2 337.463 4.304 20 30 EIEDLO CC(C)Sc1cccc(Cl)c1C[NH2+]CC1(C#N)CCOCC1 ZINC001179780581 1050771407 /nfs/dbraw/zinc/77/14/07/1050771407.db2.gz NJCUHVFBWFIHCU-UHFFFAOYSA-N 1 2 338.904 4.250 20 30 EIEDLO CCC[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1Br ZINC001180224960 1050918968 /nfs/dbraw/zinc/91/89/68/1050918968.db2.gz LWTJMFSSLMXRHP-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO CCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1Br ZINC001180224960 1050918976 /nfs/dbraw/zinc/91/89/76/1050918976.db2.gz LWTJMFSSLMXRHP-UHFFFAOYSA-N 1 2 344.256 4.128 20 30 EIEDLO N#Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1Cl ZINC001174402872 1050921323 /nfs/dbraw/zinc/92/13/23/1050921323.db2.gz YWGUDFNXWVSQTC-UHFFFAOYSA-N 1 2 347.603 4.365 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154331 1051102691 /nfs/dbraw/zinc/10/26/91/1051102691.db2.gz SUUKAWPUJRVMFU-YADHBBJMSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154331 1051102698 /nfs/dbraw/zinc/10/26/98/1051102698.db2.gz SUUKAWPUJRVMFU-YADHBBJMSA-N 1 2 342.446 4.144 20 30 EIEDLO CCCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181122930 1051159477 /nfs/dbraw/zinc/15/94/77/1051159477.db2.gz ZCXAJECYMNXUNB-DLBZAZTESA-N 1 2 344.490 4.315 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000775400501 1051227877 /nfs/dbraw/zinc/22/78/77/1051227877.db2.gz KJEFXCKRKRCASD-IBGZPJMESA-N 1 2 332.403 4.204 20 30 EIEDLO CCCCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001191077401 1051342788 /nfs/dbraw/zinc/34/27/88/1051342788.db2.gz ZJCGXJUMAZJJDA-UHFFFAOYSA-N 1 2 342.487 4.091 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175714813 1051734485 /nfs/dbraw/zinc/73/44/85/1051734485.db2.gz VHDTYUUEYUJJOA-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO N#Cc1c2c(sc1Nc1c[nH+]c(N)cc1C(F)(F)F)CCCC2 ZINC001175706893 1051762203 /nfs/dbraw/zinc/76/22/03/1051762203.db2.gz AWCQKPUKHXSENS-UHFFFAOYSA-N 1 2 338.358 4.238 20 30 EIEDLO COc1cccc(COc2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)c1 ZINC001183769931 1051893054 /nfs/dbraw/zinc/89/30/54/1051893054.db2.gz YSCHHJIEONWYOY-LJQANCHMSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cccc(COc2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)c1 ZINC001183769931 1051893057 /nfs/dbraw/zinc/89/30/57/1051893057.db2.gz YSCHHJIEONWYOY-LJQANCHMSA-N 1 2 336.435 4.010 20 30 EIEDLO N#Cc1c(Nc2ccc[nH+]c2N2CCCC2)cccc1C(F)(F)F ZINC001184967435 1052135737 /nfs/dbraw/zinc/13/57/37/1052135737.db2.gz CCOXILFXJUEIEU-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000180045904 1052775493 /nfs/dbraw/zinc/77/54/93/1052775493.db2.gz CWGSEZSEALJRIQ-LJQANCHMSA-N 1 2 333.435 4.458 20 30 EIEDLO Cn1nc(-c2ccccc2)c(C[NH2+]CC2(C#N)CCCCC2)c1Cl ZINC000850390660 1053157782 /nfs/dbraw/zinc/15/77/82/1053157782.db2.gz NANPXVGJAFOLIK-UHFFFAOYSA-N 1 2 342.874 4.304 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000794689379 1053294447 /nfs/dbraw/zinc/29/44/47/1053294447.db2.gz BDCBPYFFMRXNCU-VOTSOKGWSA-N 1 2 340.370 4.120 20 30 EIEDLO CCc1cccc2c1OC/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000794723671 1053338495 /nfs/dbraw/zinc/33/84/95/1053338495.db2.gz IXWOXSIMIUYNDS-RIYZIHGNSA-N 1 2 336.416 4.155 20 30 EIEDLO CCc1cccc2c1OC/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000794723672 1053338851 /nfs/dbraw/zinc/33/88/51/1053338851.db2.gz IXWOXSIMIUYNDS-ZSOIEALJSA-N 1 2 336.416 4.155 20 30 EIEDLO CC(C)[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)[NH+]1CCCCC1 ZINC000797570645 1053347286 /nfs/dbraw/zinc/34/72/86/1053347286.db2.gz IRNDFOQQJDRKFT-GOEBONIOSA-N 1 2 347.528 4.127 20 30 EIEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1ncc(C[NH+](C)C)s1 ZINC000794711807 1053348072 /nfs/dbraw/zinc/34/80/72/1053348072.db2.gz FCIVYZOYCTXLFP-WBNHJWIASA-N 1 2 326.465 4.224 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000764986518 1053401997 /nfs/dbraw/zinc/40/19/97/1053401997.db2.gz FYBBEEGHBDIZDA-ZDUSSCGKSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000764986518 1053402007 /nfs/dbraw/zinc/40/20/07/1053402007.db2.gz FYBBEEGHBDIZDA-ZDUSSCGKSA-N 1 2 336.530 4.264 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2csc(-c3ccccn3)n2)C2CC2)cc1 ZINC000171883639 1053522313 /nfs/dbraw/zinc/52/23/13/1053522313.db2.gz BGIWVKAUTJXOBX-UHFFFAOYSA-N 1 2 346.459 4.241 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2csc(-c3ccccn3)n2)C2CC2)cc1 ZINC000171883639 1053522321 /nfs/dbraw/zinc/52/23/21/1053522321.db2.gz BGIWVKAUTJXOBX-UHFFFAOYSA-N 1 2 346.459 4.241 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000110982303 1053621429 /nfs/dbraw/zinc/62/14/29/1053621429.db2.gz YJVLVDQTTCJDCG-RUAJRXAUSA-N 1 2 349.478 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000110982303 1053621440 /nfs/dbraw/zinc/62/14/40/1053621440.db2.gz YJVLVDQTTCJDCG-RUAJRXAUSA-N 1 2 349.478 4.032 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000853481606 1053681076 /nfs/dbraw/zinc/68/10/76/1053681076.db2.gz XCDXFXTYLAIGER-UYAOXDASSA-N 1 2 336.435 4.206 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000853598359 1053689782 /nfs/dbraw/zinc/68/97/82/1053689782.db2.gz APBWUMBNGJEDBO-CALCHBBNSA-N 1 2 340.496 4.161 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)n(-c2ccccc2C)c1=S ZINC000853598359 1053689787 /nfs/dbraw/zinc/68/97/87/1053689787.db2.gz APBWUMBNGJEDBO-CALCHBBNSA-N 1 2 340.496 4.161 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1nc(C(F)(F)F)cs1 ZINC000866348981 1053699900 /nfs/dbraw/zinc/69/99/00/1053699900.db2.gz FJVRUYZMKBIUFF-RKDXNWHRSA-N 1 2 341.358 4.151 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cccc(C#N)c1O ZINC000866397159 1053714947 /nfs/dbraw/zinc/71/49/47/1053714947.db2.gz DLUGIPOYKZREQK-GFCCVEGCSA-N 1 2 334.341 4.219 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200226 1053807088 /nfs/dbraw/zinc/80/70/88/1053807088.db2.gz AICPTEAXJLFJCC-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200226 1053807094 /nfs/dbraw/zinc/80/70/94/1053807094.db2.gz AICPTEAXJLFJCC-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000552508347 1053898774 /nfs/dbraw/zinc/89/87/74/1053898774.db2.gz BAUJIEBNDYDRMO-UHFFFAOYSA-N 1 2 338.370 4.125 20 30 EIEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000775805928 1054031508 /nfs/dbraw/zinc/03/15/08/1054031508.db2.gz IGKWNOQGQQEFTE-JQFCIGGWSA-N 1 2 344.842 4.135 20 30 EIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872237963 1054425565 /nfs/dbraw/zinc/42/55/65/1054425565.db2.gz CBHAIYHHQBRJET-HNAYVOBHSA-N 1 2 335.455 4.217 20 30 EIEDLO C#CC[N@@H+](Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C1CC1 ZINC000859251691 1054654799 /nfs/dbraw/zinc/65/47/99/1054654799.db2.gz BUOCUSAKYUSROH-UHFFFAOYSA-N 1 2 338.304 4.097 20 30 EIEDLO C#CC[N@H+](Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C1CC1 ZINC000859251691 1054654819 /nfs/dbraw/zinc/65/48/19/1054654819.db2.gz BUOCUSAKYUSROH-UHFFFAOYSA-N 1 2 338.304 4.097 20 30 EIEDLO C=CCOc1ccc(CNc2c[nH+]ccc2OC(C)(C)C)cc1OC ZINC001201794731 1054906681 /nfs/dbraw/zinc/90/66/81/1054906681.db2.gz GMBOLYNJOPWAMN-UHFFFAOYSA-N 1 2 342.439 4.444 20 30 EIEDLO CCCCCCCCCCN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201874660 1054941645 /nfs/dbraw/zinc/94/16/45/1054941645.db2.gz BRYLXNINXMVVRL-UHFFFAOYSA-N 1 2 346.563 4.435 20 30 EIEDLO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000877125840 1055023738 /nfs/dbraw/zinc/02/37/38/1055023738.db2.gz BCYRJBMKZRERMG-UHFFFAOYSA-N 1 2 333.769 4.054 20 30 EIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877533601 1055073787 /nfs/dbraw/zinc/07/37/87/1055073787.db2.gz SVYRPYVBDNNTDE-INIZCTEOSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877533601 1055073796 /nfs/dbraw/zinc/07/37/96/1055073796.db2.gz SVYRPYVBDNNTDE-INIZCTEOSA-N 1 2 329.831 4.198 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccccc1Cl)c1ccccc1 ZINC000877901577 1055147613 /nfs/dbraw/zinc/14/76/13/1055147613.db2.gz ORWXWTMSHTWLMS-HXUWFJFHSA-N 1 2 340.854 4.212 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccccc1Cl)c1ccccc1 ZINC000877901577 1055147618 /nfs/dbraw/zinc/14/76/18/1055147618.db2.gz ORWXWTMSHTWLMS-HXUWFJFHSA-N 1 2 340.854 4.212 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@@]3(C#N)CC4CCC3CC4)cc2)[nH+]c1C ZINC000921667180 1055519760 /nfs/dbraw/zinc/51/97/60/1055519760.db2.gz DAKRBCBIFHJKNZ-AEJJIKPWSA-N 1 2 348.450 4.352 20 30 EIEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000301175064 1055902922 /nfs/dbraw/zinc/90/29/22/1055902922.db2.gz LUJKUHDAGMJKNQ-UHFFFAOYSA-N 1 2 326.831 4.209 20 30 EIEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)c(Br)c1 ZINC000301821087 1055988634 /nfs/dbraw/zinc/98/86/34/1055988634.db2.gz BHOGPLSRQCDODP-UHFFFAOYSA-N 1 2 345.244 4.020 20 30 EIEDLO CCCOc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3c(C)cccn13)CO2 ZINC000741466898 1058223338 /nfs/dbraw/zinc/22/33/38/1058223338.db2.gz BWCYOLRLWNPRSH-XNTDXEJSSA-N 1 2 348.402 4.090 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3sccc3Br)c[nH+]c12 ZINC000741467330 1058224592 /nfs/dbraw/zinc/22/45/92/1058224592.db2.gz KIRRRKHEJBAYBM-SNAWJCMRSA-N 1 2 347.237 4.363 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)CCc2cccs2)c1=S ZINC000746070375 1060010610 /nfs/dbraw/zinc/01/06/10/1060010610.db2.gz LMKXNRFFHAFNQL-UHFFFAOYSA-N 1 2 348.541 4.061 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)CCc2cccs2)c1=S ZINC000746070375 1060010632 /nfs/dbraw/zinc/01/06/32/1060010632.db2.gz LMKXNRFFHAFNQL-UHFFFAOYSA-N 1 2 348.541 4.061 20 30 EIEDLO C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1cccc(C#N)c1 ZINC000026328427 1032706674 /nfs/dbraw/zinc/70/66/74/1032706674.db2.gz KSSDOROZJNUQAX-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1cccc(C#N)c1 ZINC000026328427 1032706686 /nfs/dbraw/zinc/70/66/86/1032706686.db2.gz KSSDOROZJNUQAX-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C#CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@@H]1CCc2ccccc21 ZINC000089886962 1019092723 /nfs/dbraw/zinc/09/27/23/1019092723.db2.gz ATRFLDXTCVFKAN-LJQANCHMSA-N 1 2 347.418 4.069 20 30 EIEDLO C#CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@@H]1CCc2ccccc21 ZINC000089886962 1019092728 /nfs/dbraw/zinc/09/27/28/1019092728.db2.gz ATRFLDXTCVFKAN-LJQANCHMSA-N 1 2 347.418 4.069 20 30 EIEDLO CC(C)[N@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000155137968 1020276673 /nfs/dbraw/zinc/27/66/73/1020276673.db2.gz DJRNALQBXWYQBA-UHFFFAOYSA-N 1 2 348.475 4.487 20 30 EIEDLO CC(C)[N@@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000155137968 1020276677 /nfs/dbraw/zinc/27/66/77/1020276677.db2.gz DJRNALQBXWYQBA-UHFFFAOYSA-N 1 2 348.475 4.487 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(F)c(Br)c1 ZINC000255134420 1021094400 /nfs/dbraw/zinc/09/44/00/1021094400.db2.gz WAPZWNLDDAUNAY-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)c1C#N ZINC000579500968 1021788375 /nfs/dbraw/zinc/78/83/75/1021788375.db2.gz HITZBGBPOALRRX-CYBMUJFWSA-N 1 2 342.826 4.191 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)c1C#N ZINC000579500968 1021788395 /nfs/dbraw/zinc/78/83/95/1021788395.db2.gz HITZBGBPOALRRX-CYBMUJFWSA-N 1 2 342.826 4.191 20 30 EIEDLO COc1c(F)cccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001143534485 1033068441 /nfs/dbraw/zinc/06/84/41/1033068441.db2.gz SXJUAONMGKVVQF-UHFFFAOYSA-N 1 2 342.389 4.031 20 30 EIEDLO CC(C)Oc1cc(C[N@H+](Cc2cccc(C#N)c2F)C2CC2)ccn1 ZINC000340921834 1022941831 /nfs/dbraw/zinc/94/18/31/1022941831.db2.gz SZIZUGZIEUUQNC-UHFFFAOYSA-N 1 2 339.414 4.044 20 30 EIEDLO CC(C)Oc1cc(C[N@@H+](Cc2cccc(C#N)c2F)C2CC2)ccn1 ZINC000340921834 1022941837 /nfs/dbraw/zinc/94/18/37/1022941837.db2.gz SZIZUGZIEUUQNC-UHFFFAOYSA-N 1 2 339.414 4.044 20 30 EIEDLO N#Cc1ccc(-c2cnc(C[N@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000158957248 1023202910 /nfs/dbraw/zinc/20/29/10/1023202910.db2.gz BQIZEJWASJFKGR-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(-c2cnc(C[N@@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000158957248 1023202928 /nfs/dbraw/zinc/20/29/28/1023202928.db2.gz BQIZEJWASJFKGR-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000162561604 1023503589 /nfs/dbraw/zinc/50/35/89/1023503589.db2.gz HXBHSADJSBQUCG-INIZCTEOSA-N 1 2 336.391 4.366 20 30 EIEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312764094 1023806758 /nfs/dbraw/zinc/80/67/58/1023806758.db2.gz LLLWCHFWUQSVKX-UHFFFAOYSA-N 1 2 326.248 4.357 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(C#N)c(F)c1 ZINC000430728095 1023979476 /nfs/dbraw/zinc/97/94/76/1023979476.db2.gz JHEGLFHFJFZABV-MRVPVSSYSA-N 1 2 326.268 4.105 20 30 EIEDLO CCn1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137361 1024366540 /nfs/dbraw/zinc/36/65/40/1024366540.db2.gz HMMFTCJCQXLGDF-PZJWPPBQSA-N 1 2 344.462 4.328 20 30 EIEDLO CCn1nc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137361 1024366559 /nfs/dbraw/zinc/36/65/59/1024366559.db2.gz HMMFTCJCQXLGDF-PZJWPPBQSA-N 1 2 344.462 4.328 20 30 EIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1cccs1 ZINC000510856213 1024646262 /nfs/dbraw/zinc/64/62/62/1024646262.db2.gz FXYGEUTZBCGBJC-UHFFFAOYSA-N 1 2 342.508 4.173 20 30 EIEDLO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1cccs1 ZINC000510856213 1024646279 /nfs/dbraw/zinc/64/62/79/1024646279.db2.gz FXYGEUTZBCGBJC-UHFFFAOYSA-N 1 2 342.508 4.173 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473160857 1024797005 /nfs/dbraw/zinc/79/70/05/1024797005.db2.gz LIGCVUMNWIPAOR-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473160857 1024797017 /nfs/dbraw/zinc/79/70/17/1024797017.db2.gz LIGCVUMNWIPAOR-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO C=C(C)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000043940144 1024834747 /nfs/dbraw/zinc/83/47/47/1024834747.db2.gz YQBOKYWPWYODEX-INIZCTEOSA-N 1 2 342.512 4.482 20 30 EIEDLO C=CCOc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000342074170 1025095327 /nfs/dbraw/zinc/09/53/27/1025095327.db2.gz IXLZOQFIUCMFGV-IBGZPJMESA-N 1 2 347.418 4.135 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccc(C(F)(F)F)cc1 ZINC000342223768 1025497630 /nfs/dbraw/zinc/49/76/30/1025497630.db2.gz NMKFDVVACLYBTH-CQSZACIVSA-N 1 2 325.334 4.194 20 30 EIEDLO N#CCC[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000342226244 1025507737 /nfs/dbraw/zinc/50/77/37/1025507737.db2.gz PWMIJHAWMXRQIX-FQEVSTJZSA-N 1 2 330.435 4.066 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1c(F)cccc1F ZINC000539234997 1025895605 /nfs/dbraw/zinc/89/56/05/1025895605.db2.gz YKOZTPBUNCTZLB-JTQLQIEISA-N 1 2 338.304 4.289 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccn1 ZINC000182086533 1026212496 /nfs/dbraw/zinc/21/24/96/1026212496.db2.gz ASGOAUCOFHFCKH-AOMKIAJQSA-N 1 2 343.430 4.402 20 30 EIEDLO COC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 ZINC000582324386 1026448989 /nfs/dbraw/zinc/44/89/89/1026448989.db2.gz QRVFOKDJRWEVDH-KRWDZBQOSA-N 1 2 335.234 4.342 20 30 EIEDLO C=C[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000638746800 1026516480 /nfs/dbraw/zinc/51/64/80/1026516480.db2.gz CJLUDSFETCLITK-NSHDSACASA-N 1 2 335.860 4.145 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000506925229 1026525539 /nfs/dbraw/zinc/52/55/39/1026525539.db2.gz DEZNKZOOBMRKPD-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000894871131 1026914917 /nfs/dbraw/zinc/91/49/17/1026914917.db2.gz RNVBBOWCMKYKQK-OAHLLOKOSA-N 1 2 347.281 4.247 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000186446123 1027225300 /nfs/dbraw/zinc/22/53/00/1027225300.db2.gz STZQFHBQYZAHPV-UHFFFAOYSA-N 1 2 340.854 4.393 20 30 EIEDLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000896544258 1027580156 /nfs/dbraw/zinc/58/01/56/1027580156.db2.gz XVVCUUVQZHYERN-BSLVTKGXSA-N 1 2 336.435 4.116 20 30 EIEDLO COC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000896544259 1027581408 /nfs/dbraw/zinc/58/14/08/1027581408.db2.gz XVVCUUVQZHYERN-IPFXWSOASA-N 1 2 336.435 4.116 20 30 EIEDLO O=C(CC[C@@H]1CCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329095128 1027587590 /nfs/dbraw/zinc/58/75/90/1027587590.db2.gz KRHBWMPENXLCLD-OAHLLOKOSA-N 1 2 339.439 4.291 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H](C)CO2)c1 ZINC000468277458 1027843717 /nfs/dbraw/zinc/84/37/17/1027843717.db2.gz NCCCOCVRGZUKLK-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H](C)CO2)c1 ZINC000468277458 1027843722 /nfs/dbraw/zinc/84/37/22/1027843722.db2.gz NCCCOCVRGZUKLK-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330714517 1027882676 /nfs/dbraw/zinc/88/26/76/1027882676.db2.gz XPBKYCLGZYOTHH-UHFFFAOYSA-N 1 2 334.508 4.028 20 30 EIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC12CCC2 ZINC000329637463 1027904765 /nfs/dbraw/zinc/90/47/65/1027904765.db2.gz AGRJYAQRFLZFSD-UHFFFAOYSA-N 1 2 336.439 4.060 20 30 EIEDLO Cc1cc(C)c(NC(=O)N[C@@H](c2ncccc2C)C(C)C)c(C)[nH+]1 ZINC000331244624 1027945589 /nfs/dbraw/zinc/94/55/89/1027945589.db2.gz SWPBEMIHBHTTJX-MRXNPFEDSA-N 1 2 326.444 4.433 20 30 EIEDLO Cc1nc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c(Br)s1 ZINC000331357599 1027959306 /nfs/dbraw/zinc/95/93/06/1027959306.db2.gz UEDHXDMXTIHFKL-UHFFFAOYSA-N 1 2 340.246 4.171 20 30 EIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC1CCC2(CCCCC2)CC1 ZINC000329881767 1028146339 /nfs/dbraw/zinc/14/63/39/1028146339.db2.gz OYKZGSCEKMUGAF-UHFFFAOYSA-N 1 2 344.503 4.116 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000523638871 1028292242 /nfs/dbraw/zinc/29/22/42/1028292242.db2.gz IXPLCAFUBGIHPJ-KUHUBIRLSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000523638871 1028292263 /nfs/dbraw/zinc/29/22/63/1028292263.db2.gz IXPLCAFUBGIHPJ-KUHUBIRLSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000523638872 1028293020 /nfs/dbraw/zinc/29/30/20/1028293020.db2.gz IXPLCAFUBGIHPJ-LIRRHRJNSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000523638872 1028293040 /nfs/dbraw/zinc/29/30/40/1028293040.db2.gz IXPLCAFUBGIHPJ-LIRRHRJNSA-N 1 2 326.827 4.174 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 ZINC000027775186 1028775095 /nfs/dbraw/zinc/77/50/95/1028775095.db2.gz WZNGUGJKIVRUJO-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 ZINC000027775186 1028775120 /nfs/dbraw/zinc/77/51/20/1028775120.db2.gz WZNGUGJKIVRUJO-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccccc1 ZINC000027775215 1028775954 /nfs/dbraw/zinc/77/59/54/1028775954.db2.gz OYJCBZVKHQUROW-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccccc1 ZINC000027775215 1028775972 /nfs/dbraw/zinc/77/59/72/1028775972.db2.gz OYJCBZVKHQUROW-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CCC[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343337624 1028989999 /nfs/dbraw/zinc/98/99/99/1028989999.db2.gz ASXLSZGIHWXMGY-LJQANCHMSA-N 1 2 346.434 4.015 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000052580701 1029171928 /nfs/dbraw/zinc/17/19/28/1029171928.db2.gz FALXFGDOUXYSQF-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000052580701 1029171934 /nfs/dbraw/zinc/17/19/34/1029171934.db2.gz FALXFGDOUXYSQF-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329791895 1029821110 /nfs/dbraw/zinc/82/11/10/1029821110.db2.gz FBRAIPAIJLXFSJ-QGZVFWFLSA-N 1 2 330.476 4.006 20 30 EIEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329791895 1029821111 /nfs/dbraw/zinc/82/11/11/1029821111.db2.gz FBRAIPAIJLXFSJ-QGZVFWFLSA-N 1 2 330.476 4.006 20 30 EIEDLO C=CCc1cccc(C(C)C)c1NC(=O)NCCCCn1cc[nH+]c1 ZINC000530553303 1030528965 /nfs/dbraw/zinc/52/89/65/1030528965.db2.gz BXUAPSXTVUIAIO-UHFFFAOYSA-N 1 2 340.471 4.337 20 30 EIEDLO C=CCn1c2ccccc2nc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000039576198 1030559492 /nfs/dbraw/zinc/55/94/92/1030559492.db2.gz IUSHSJWYFOPIET-UHFFFAOYSA-N 1 2 334.448 4.471 20 30 EIEDLO FC(F)(F)c1ccccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783776692 1030858759 /nfs/dbraw/zinc/85/87/59/1030858759.db2.gz MDXDOKJOCFSVEF-UHFFFAOYSA-N 1 2 336.342 4.399 20 30 EIEDLO C[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039439 1031376316 /nfs/dbraw/zinc/37/63/16/1031376316.db2.gz CEHAVMZCZDDQLD-XOBRGWDASA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039439 1031376334 /nfs/dbraw/zinc/37/63/34/1031376334.db2.gz CEHAVMZCZDDQLD-XOBRGWDASA-N 1 2 342.389 4.013 20 30 EIEDLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000509767729 1033400663 /nfs/dbraw/zinc/40/06/63/1033400663.db2.gz WCTSFDJXOZOBQP-QGZVFWFLSA-N 1 2 344.462 4.439 20 30 EIEDLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000509767729 1033400670 /nfs/dbraw/zinc/40/06/70/1033400670.db2.gz WCTSFDJXOZOBQP-QGZVFWFLSA-N 1 2 344.462 4.439 20 30 EIEDLO N#CCCC[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000433017957 1033662047 /nfs/dbraw/zinc/66/20/47/1033662047.db2.gz DNLFUICCORTEOY-INIZCTEOSA-N 1 2 338.436 4.323 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000509814902 1034044607 /nfs/dbraw/zinc/04/46/07/1034044607.db2.gz WWRNBIWLZGUHJM-LBPRGKRZSA-N 1 2 333.229 4.301 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000509814902 1034044628 /nfs/dbraw/zinc/04/46/28/1034044628.db2.gz WWRNBIWLZGUHJM-LBPRGKRZSA-N 1 2 333.229 4.301 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000501241452 1035402538 /nfs/dbraw/zinc/40/25/38/1035402538.db2.gz DJAWPZYQIASZSO-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000501241452 1035402549 /nfs/dbraw/zinc/40/25/49/1035402549.db2.gz DJAWPZYQIASZSO-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595609167 1035752769 /nfs/dbraw/zinc/75/27/69/1035752769.db2.gz HMQWHRYWZFYQMX-HNNXBMFYSA-N 1 2 326.469 4.321 20 30 EIEDLO Cc1ccc(Nc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595609167 1035752805 /nfs/dbraw/zinc/75/28/05/1035752805.db2.gz HMQWHRYWZFYQMX-HNNXBMFYSA-N 1 2 326.469 4.321 20 30 EIEDLO N#CC[C@@H]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000596325943 1035852649 /nfs/dbraw/zinc/85/26/49/1035852649.db2.gz PYQNSXDVXANILF-NSHDSACASA-N 1 2 348.219 4.266 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486553 1036461522 /nfs/dbraw/zinc/46/15/22/1036461522.db2.gz UHOKDJWIGKMJGL-SJLPKXTDSA-N 1 2 327.378 4.291 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)nc1 ZINC000602486553 1036461536 /nfs/dbraw/zinc/46/15/36/1036461536.db2.gz UHOKDJWIGKMJGL-SJLPKXTDSA-N 1 2 327.378 4.291 20 30 EIEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602840855 1036650079 /nfs/dbraw/zinc/65/00/79/1036650079.db2.gz ORKBUOULGIYOPN-XJKSGUPXSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CC1(CC#N)CC1 ZINC000602840855 1036650085 /nfs/dbraw/zinc/65/00/85/1036650085.db2.gz ORKBUOULGIYOPN-XJKSGUPXSA-N 1 2 338.373 4.161 20 30 EIEDLO N#CCC[N@@H+](CCCCc1cccc(Cl)c1)Cc1ccccn1 ZINC000598597226 1036713188 /nfs/dbraw/zinc/71/31/88/1036713188.db2.gz WOPVRLCWUIFBMI-UHFFFAOYSA-N 1 2 327.859 4.474 20 30 EIEDLO N#CCC[N@H+](CCCCc1cccc(Cl)c1)Cc1ccccn1 ZINC000598597226 1036713209 /nfs/dbraw/zinc/71/32/09/1036713209.db2.gz WOPVRLCWUIFBMI-UHFFFAOYSA-N 1 2 327.859 4.474 20 30 EIEDLO N#CC1(CC[N@@H+]2CCc3nccc(Br)c3C2)CCCCC1 ZINC000598951114 1036830532 /nfs/dbraw/zinc/83/05/32/1036830532.db2.gz ZGYCPKHGDLLMII-UHFFFAOYSA-N 1 2 348.288 4.066 20 30 EIEDLO N#CC1(CC[N@H+]2CCc3nccc(Br)c3C2)CCCCC1 ZINC000598951114 1036830539 /nfs/dbraw/zinc/83/05/39/1036830539.db2.gz ZGYCPKHGDLLMII-UHFFFAOYSA-N 1 2 348.288 4.066 20 30 EIEDLO CC1(C#N)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000272540414 1037216379 /nfs/dbraw/zinc/21/63/79/1037216379.db2.gz RSNIBRDDYMAWOE-UHFFFAOYSA-N 1 2 330.229 4.127 20 30 EIEDLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272646758 1037256566 /nfs/dbraw/zinc/25/65/66/1037256566.db2.gz YMZLJDQJQZNIAO-GFCCVEGCSA-N 1 2 330.819 4.077 20 30 EIEDLO N#Cc1cnccc1C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000592081932 1037733477 /nfs/dbraw/zinc/73/34/77/1037733477.db2.gz FCTVLFJVNCKVBN-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO N#Cc1cnccc1C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000592081932 1037733492 /nfs/dbraw/zinc/73/34/92/1037733492.db2.gz FCTVLFJVNCKVBN-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1C1CC1 ZINC000172937635 1038004931 /nfs/dbraw/zinc/00/49/31/1038004931.db2.gz UTRBCPOIBDTZCW-UHFFFAOYSA-N 1 2 332.517 4.091 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1C1CC1 ZINC000172937635 1038004945 /nfs/dbraw/zinc/00/49/45/1038004945.db2.gz UTRBCPOIBDTZCW-UHFFFAOYSA-N 1 2 332.517 4.091 20 30 EIEDLO CCC[N@H+](Cc1ccccc1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033644 1038313628 /nfs/dbraw/zinc/31/36/28/1038313628.db2.gz PZSWFRHUVCASHL-QGZVFWFLSA-N 1 2 335.451 4.106 20 30 EIEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033644 1038313643 /nfs/dbraw/zinc/31/36/43/1038313643.db2.gz PZSWFRHUVCASHL-QGZVFWFLSA-N 1 2 335.451 4.106 20 30 EIEDLO C=CCCc1ccccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000505057764 1038931985 /nfs/dbraw/zinc/93/19/85/1038931985.db2.gz LKHKPKOKVXGTPD-UHFFFAOYSA-N 1 2 346.434 4.313 20 30 EIEDLO N#Cc1ccccc1Oc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000608885955 1038954363 /nfs/dbraw/zinc/95/43/63/1038954363.db2.gz HZHJKBGSHJBFGN-UHFFFAOYSA-N 1 2 327.347 4.365 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cccc(C#N)c1 ZINC000119658724 1038982331 /nfs/dbraw/zinc/98/23/31/1038982331.db2.gz UYUANZVOFFMLRH-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cccc(C#N)c1 ZINC000119658724 1038982349 /nfs/dbraw/zinc/98/23/49/1038982349.db2.gz UYUANZVOFFMLRH-UHFFFAOYSA-N 1 2 347.462 4.308 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1C#N ZINC000534473013 1039494787 /nfs/dbraw/zinc/49/47/87/1039494787.db2.gz WKABBPRXJVBRQY-SFHVURJKSA-N 1 2 338.407 4.055 20 30 EIEDLO COC(=O)c1cccc(C[N@H+]2CCCCC[C@H]2c2ccco2)c1C#N ZINC000534473013 1039494804 /nfs/dbraw/zinc/49/48/04/1039494804.db2.gz WKABBPRXJVBRQY-SFHVURJKSA-N 1 2 338.407 4.055 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000552810022 1039821584 /nfs/dbraw/zinc/82/15/84/1039821584.db2.gz HGKZJJJBILVJJX-HNNXBMFYSA-N 1 2 344.480 4.162 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000552810022 1039821587 /nfs/dbraw/zinc/82/15/87/1039821587.db2.gz HGKZJJJBILVJJX-HNNXBMFYSA-N 1 2 344.480 4.162 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc([C@H](C)SCC)no1 ZINC000123139725 1039885677 /nfs/dbraw/zinc/88/56/77/1039885677.db2.gz UPUVXDMGUGSPGF-HNNXBMFYSA-N 1 2 331.485 4.114 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc([C@H](C)SCC)no1 ZINC000123139725 1039885678 /nfs/dbraw/zinc/88/56/78/1039885678.db2.gz UPUVXDMGUGSPGF-HNNXBMFYSA-N 1 2 331.485 4.114 20 30 EIEDLO C[C@@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000479515749 1040433962 /nfs/dbraw/zinc/43/39/62/1040433962.db2.gz SQCXUANLGGYRCA-BZNIZROVSA-N 1 2 335.234 4.249 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171416 1040683051 /nfs/dbraw/zinc/68/30/51/1040683051.db2.gz QADIMNOLMKLHKN-OAHLLOKOSA-N 1 2 348.903 4.009 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171416 1040683062 /nfs/dbraw/zinc/68/30/62/1040683062.db2.gz QADIMNOLMKLHKN-OAHLLOKOSA-N 1 2 348.903 4.009 20 30 EIEDLO CCc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425545071 1041235149 /nfs/dbraw/zinc/23/51/49/1041235149.db2.gz UJZYRKOEANMFPA-HNNXBMFYSA-N 1 2 346.434 4.364 20 30 EIEDLO CCc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425545071 1041235165 /nfs/dbraw/zinc/23/51/65/1041235165.db2.gz UJZYRKOEANMFPA-HNNXBMFYSA-N 1 2 346.434 4.364 20 30 EIEDLO C=C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000517470421 1042030242 /nfs/dbraw/zinc/03/02/42/1042030242.db2.gz FTSOKVNTOXMFSV-UHFFFAOYSA-N 1 2 330.653 4.133 20 30 EIEDLO C=CCc1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1O ZINC000506295491 1042271584 /nfs/dbraw/zinc/27/15/84/1042271584.db2.gz RCABTJHLCJKEGR-UHFFFAOYSA-N 1 2 348.446 4.169 20 30 EIEDLO C=CCc1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1O ZINC000506295491 1042271597 /nfs/dbraw/zinc/27/15/97/1042271597.db2.gz RCABTJHLCJKEGR-UHFFFAOYSA-N 1 2 348.446 4.169 20 30 EIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542279362 1042367962 /nfs/dbraw/zinc/36/79/62/1042367962.db2.gz FXURNNQBBYSUFD-MGPUTAFESA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542279362 1042367967 /nfs/dbraw/zinc/36/79/67/1042367967.db2.gz FXURNNQBBYSUFD-MGPUTAFESA-N 1 2 340.854 4.368 20 30 EIEDLO Cc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000542317176 1042382213 /nfs/dbraw/zinc/38/22/13/1042382213.db2.gz BXABTIZQTPIMME-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO Cc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000542317176 1042382221 /nfs/dbraw/zinc/38/22/21/1042382221.db2.gz BXABTIZQTPIMME-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO CCOc1ccc([C@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)cc1 ZINC000030537054 1042555850 /nfs/dbraw/zinc/55/58/50/1042555850.db2.gz WMMSLILVMGYNJB-LAUBAEHRSA-N 1 2 333.435 4.208 20 30 EIEDLO C=CCCC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456684 1042639435 /nfs/dbraw/zinc/63/94/35/1042639435.db2.gz ZEOFWZZTPLNLRB-IUODEOHRSA-N 1 2 338.377 4.247 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c(F)c1 ZINC000507909417 1043194762 /nfs/dbraw/zinc/19/47/62/1043194762.db2.gz RKWDHPYRPQHPKP-IBGZPJMESA-N 1 2 338.430 4.176 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)CCC)c1=S ZINC000727820669 1043315264 /nfs/dbraw/zinc/31/52/64/1043315264.db2.gz BFKGMTPFUQXLPB-UHFFFAOYSA-N 1 2 334.464 4.096 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)CCC)c1=S ZINC000727820669 1043315273 /nfs/dbraw/zinc/31/52/73/1043315273.db2.gz BFKGMTPFUQXLPB-UHFFFAOYSA-N 1 2 334.464 4.096 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727941285 1043331879 /nfs/dbraw/zinc/33/18/79/1043331879.db2.gz XJKFFUKFUDBNGO-SJORKVTESA-N 1 2 334.508 4.295 20 30 EIEDLO N#Cc1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cs1 ZINC000922064933 1043395589 /nfs/dbraw/zinc/39/55/89/1043395589.db2.gz VSZXLNPWGYLYCB-UHFFFAOYSA-N 1 2 334.448 4.432 20 30 EIEDLO C(=NNc1cc[nH+]c2ccccc12)c1csc(-c2cccs2)n1 ZINC000730147222 1043455902 /nfs/dbraw/zinc/45/59/02/1043455902.db2.gz NJJHCBSWKCOQQN-UHFFFAOYSA-N 1 2 336.445 4.288 20 30 EIEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)n1Cc1ccco1 ZINC000730147699 1043456703 /nfs/dbraw/zinc/45/67/03/1043456703.db2.gz INYHMDOWJCFSEA-UHFFFAOYSA-N 1 2 344.418 4.162 20 30 EIEDLO N#Cc1ccsc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001128333637 1043470204 /nfs/dbraw/zinc/47/02/04/1043470204.db2.gz VTAXBQKNCYVFEB-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC001137829213 1043574792 /nfs/dbraw/zinc/57/47/92/1043574792.db2.gz ABZWKJAGFJRUJU-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC001137829213 1043574830 /nfs/dbraw/zinc/57/48/30/1043574830.db2.gz ABZWKJAGFJRUJU-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)cc3F)cs2)cc1 ZINC000172119827 1043717616 /nfs/dbraw/zinc/71/76/16/1043717616.db2.gz FODSUEPWLRUQHL-UHFFFAOYSA-N 1 2 337.423 4.419 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccccc2)n1 ZINC000731661171 1043810701 /nfs/dbraw/zinc/81/07/01/1043810701.db2.gz DWCAOAMXNZOFJF-UHFFFAOYSA-N 1 2 328.419 4.067 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccccc2)n1 ZINC000731661171 1043810702 /nfs/dbraw/zinc/81/07/02/1043810702.db2.gz DWCAOAMXNZOFJF-UHFFFAOYSA-N 1 2 328.419 4.067 20 30 EIEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nccs1 ZINC000191824759 1043851012 /nfs/dbraw/zinc/85/10/12/1043851012.db2.gz ZCSCGYGMJIYYQF-ZDUSSCGKSA-N 1 2 336.258 4.018 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000732184899 1043883560 /nfs/dbraw/zinc/88/35/60/1043883560.db2.gz YHQFQNYZJAMIKB-INIZCTEOSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000732184899 1043883565 /nfs/dbraw/zinc/88/35/65/1043883565.db2.gz YHQFQNYZJAMIKB-INIZCTEOSA-N 1 2 344.528 4.126 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]/CCCO[C@@H]2CCCc3ccccc32)c1 ZINC000733750155 1044300939 /nfs/dbraw/zinc/30/09/39/1044300939.db2.gz OGOZJYWHRURMLQ-ODAUKNCYSA-N 1 2 339.435 4.304 20 30 EIEDLO Oc1cccc(/C=[NH+]/CCCO[C@H]2CCCc3ccccc32)c1O ZINC000733750147 1044301501 /nfs/dbraw/zinc/30/15/01/1044301501.db2.gz ODIVPZVQRXZEPV-ORTNRGLGSA-N 1 2 325.408 4.001 20 30 EIEDLO CN1c2ccccc2C(C)(C)C1=CC=[NH+]Nc1cnnc2ccccc21 ZINC000733750051 1044302559 /nfs/dbraw/zinc/30/25/59/1044302559.db2.gz KSRAGBAGNAJSRL-ULUZADDESA-N 1 2 343.434 4.339 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757325 1044439203 /nfs/dbraw/zinc/43/92/03/1044439203.db2.gz QSJAHRFBIPPBIL-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757325 1044439221 /nfs/dbraw/zinc/43/92/21/1044439221.db2.gz QSJAHRFBIPPBIL-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761765404 1044478226 /nfs/dbraw/zinc/47/82/26/1044478226.db2.gz LUMZADZLGGTBOZ-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761765404 1044478238 /nfs/dbraw/zinc/47/82/38/1044478238.db2.gz LUMZADZLGGTBOZ-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474157612 1044723452 /nfs/dbraw/zinc/72/34/52/1044723452.db2.gz KIWYIVQQCQECSK-SECBINFHSA-N 1 2 335.167 4.059 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474157612 1044723465 /nfs/dbraw/zinc/72/34/65/1044723465.db2.gz KIWYIVQQCQECSK-SECBINFHSA-N 1 2 335.167 4.059 20 30 EIEDLO N#Cc1c(F)ccc(CNc2ccc(N3CCCCC3)[nH+]c2)c1Cl ZINC000428864078 1044758036 /nfs/dbraw/zinc/75/80/36/1044758036.db2.gz BAMHJINNXPQTKC-UHFFFAOYSA-N 1 2 344.821 4.348 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986506 1044957115 /nfs/dbraw/zinc/95/71/15/1044957115.db2.gz ZQKYWNGZSSCPQX-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986506 1044957131 /nfs/dbraw/zinc/95/71/31/1044957131.db2.gz ZQKYWNGZSSCPQX-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cnn(-c2ccccc2)c1 ZINC000737443128 1045006747 /nfs/dbraw/zinc/00/67/47/1045006747.db2.gz HAHYSCVZSDMADI-FPLPWBNLSA-N 1 2 348.793 4.070 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738056821 1045035021 /nfs/dbraw/zinc/03/50/21/1045035021.db2.gz ZQPVDCJDQWDZSS-UHFFFAOYSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738056821 1045035035 /nfs/dbraw/zinc/03/50/35/1045035035.db2.gz ZQPVDCJDQWDZSS-UHFFFAOYSA-N 1 2 346.475 4.238 20 30 EIEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(C(F)(F)F)cs1 ZINC000544459509 1045105918 /nfs/dbraw/zinc/10/59/18/1045105918.db2.gz UTHAEGRLQHNTPL-LLVKDONJSA-N 1 2 343.349 4.414 20 30 EIEDLO CC[C@@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739926332 1045176169 /nfs/dbraw/zinc/17/61/69/1045176169.db2.gz DEWOJOIDEKACDY-HUUCEWRRSA-N 1 2 341.480 4.127 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915210012 1045186549 /nfs/dbraw/zinc/18/65/49/1045186549.db2.gz XVGWUIFXUSARKJ-CQSZACIVSA-N 1 2 348.491 4.340 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915210012 1045186552 /nfs/dbraw/zinc/18/65/52/1045186552.db2.gz XVGWUIFXUSARKJ-CQSZACIVSA-N 1 2 348.491 4.340 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncc(Br)s1 ZINC000611132146 1045255203 /nfs/dbraw/zinc/25/52/03/1045255203.db2.gz OLLHJXQIVAFBNP-UWVGGRQHSA-N 1 2 336.258 4.189 20 30 EIEDLO CCCCn1c(SCC2(C#N)CCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000915471465 1045338059 /nfs/dbraw/zinc/33/80/59/1045338059.db2.gz KPKRARIJYBHGFO-HNNXBMFYSA-N 1 2 349.548 4.267 20 30 EIEDLO Cc1ccc(-n2cnc3c2CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C3)cc1 ZINC000487981701 1045338672 /nfs/dbraw/zinc/33/86/72/1045338672.db2.gz OLKKTVDGYXLDIF-QGZVFWFLSA-N 1 2 342.446 4.172 20 30 EIEDLO Cc1ccc(-n2cnc3c2CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C3)cc1 ZINC000487981701 1045338678 /nfs/dbraw/zinc/33/86/78/1045338678.db2.gz OLKKTVDGYXLDIF-QGZVFWFLSA-N 1 2 342.446 4.172 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000455480035 1045692096 /nfs/dbraw/zinc/69/20/96/1045692096.db2.gz GWUVADCSGMZTOH-RTBURBONSA-N 1 2 348.450 4.311 20 30 EIEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCCCCC1 ZINC000915979168 1045851867 /nfs/dbraw/zinc/85/18/67/1045851867.db2.gz DHAYLDZJFDTRKM-ZGXHQARYSA-N 1 2 329.271 4.382 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(OCC(F)(F)F)cc1 ZINC000769608322 1046030645 /nfs/dbraw/zinc/03/06/45/1046030645.db2.gz SCMPDMONUKIFLY-RMKNXTFCSA-N 1 2 346.308 4.172 20 30 EIEDLO O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769608151 1046032614 /nfs/dbraw/zinc/03/26/14/1046032614.db2.gz QHOJRJDOZAHYTF-KORVRHQYSA-N 1 2 345.358 4.072 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Br)c(F)c1 ZINC000769615329 1046032843 /nfs/dbraw/zinc/03/28/43/1046032843.db2.gz PSRBBXNQHYOLHJ-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769608625 1046034090 /nfs/dbraw/zinc/03/40/90/1046034090.db2.gz DOMRVWSKCQCJRQ-XFXZXTDPSA-N 1 2 344.292 4.055 20 30 EIEDLO CC(C)Oc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162243543 1046160082 /nfs/dbraw/zinc/16/00/82/1046160082.db2.gz GIMFFBISJAEJFM-UHFFFAOYSA-N 1 2 325.412 4.163 20 30 EIEDLO Cc1cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)oc2cc1C ZINC000770393499 1046191551 /nfs/dbraw/zinc/19/15/51/1046191551.db2.gz YUBZVTKGWNUWEB-JOCHJYFZSA-N 1 2 346.430 4.495 20 30 EIEDLO Cc1cc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)oc2cc1C ZINC000770393499 1046191558 /nfs/dbraw/zinc/19/15/58/1046191558.db2.gz YUBZVTKGWNUWEB-JOCHJYFZSA-N 1 2 346.430 4.495 20 30 EIEDLO COc1cccc2cc(C(=O)/C=C/c3c[nH+]c4ccc(C)cn34)oc21 ZINC000771851008 1046513387 /nfs/dbraw/zinc/51/33/87/1046513387.db2.gz ONSFAEMGELXWAL-BQYQJAHWSA-N 1 2 332.359 4.294 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746637048 1046911539 /nfs/dbraw/zinc/91/15/39/1046911539.db2.gz JESAQXSDTDWGBW-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746637048 1046911555 /nfs/dbraw/zinc/91/15/55/1046911555.db2.gz JESAQXSDTDWGBW-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C#CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(F)cc1 ZINC000787131765 1046912919 /nfs/dbraw/zinc/91/29/19/1046912919.db2.gz FAPGVLPSUPYKBB-UHFFFAOYSA-N 1 2 326.396 4.178 20 30 EIEDLO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(F)cc1 ZINC000787131765 1046912914 /nfs/dbraw/zinc/91/29/14/1046912914.db2.gz FAPGVLPSUPYKBB-UHFFFAOYSA-N 1 2 326.396 4.178 20 30 EIEDLO Cc1nc(F)ccc1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000787129478 1046922007 /nfs/dbraw/zinc/92/20/07/1046922007.db2.gz SONDAXSHTUVOIS-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO Cc1nc(F)ccc1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000787129478 1046922023 /nfs/dbraw/zinc/92/20/23/1046922023.db2.gz SONDAXSHTUVOIS-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239953 1047138291 /nfs/dbraw/zinc/13/82/91/1047138291.db2.gz DBLQVLIFCXMSMK-KRWDZBQOSA-N 1 2 341.499 4.199 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239953 1047138273 /nfs/dbraw/zinc/13/82/73/1047138273.db2.gz DBLQVLIFCXMSMK-KRWDZBQOSA-N 1 2 341.499 4.199 20 30 EIEDLO CCCCCCCOC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805861077 1047855269 /nfs/dbraw/zinc/85/52/69/1047855269.db2.gz FOJWIVCUQKBNGB-UHFFFAOYSA-N 1 2 338.517 4.177 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136899038 1047886108 /nfs/dbraw/zinc/88/61/08/1047886108.db2.gz HVDVWLUNJNKCIM-UHFFFAOYSA-N 1 2 339.867 4.480 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)nccc1NC(=O)OC(C)(C)C ZINC001136899038 1047886111 /nfs/dbraw/zinc/88/61/11/1047886111.db2.gz HVDVWLUNJNKCIM-UHFFFAOYSA-N 1 2 339.867 4.480 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)Cc1cccs1 ZINC000499051701 1048127599 /nfs/dbraw/zinc/12/75/99/1048127599.db2.gz FYJXLFSXOZQPTG-INIZCTEOSA-N 1 2 342.508 4.176 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)Cc1cccs1 ZINC000499051701 1048127610 /nfs/dbraw/zinc/12/76/10/1048127610.db2.gz FYJXLFSXOZQPTG-INIZCTEOSA-N 1 2 342.508 4.176 20 30 EIEDLO Cc1ccc2[nH+]c(CSc3nc4c(cc3C#N)CCCC4)cn2c1 ZINC000217161415 1048152501 /nfs/dbraw/zinc/15/25/01/1048152501.db2.gz GZTBNABZZOVRPD-UHFFFAOYSA-N 1 2 334.448 4.081 20 30 EIEDLO N#CCC1CC[NH+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704617 1048167764 /nfs/dbraw/zinc/16/77/64/1048167764.db2.gz NMDZNPSPLLIJDF-UHFFFAOYSA-N 1 2 332.753 4.364 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001143722610 1048174843 /nfs/dbraw/zinc/17/48/43/1048174843.db2.gz CXFTZLPFBRXGHT-INIZCTEOSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001143722610 1048174852 /nfs/dbraw/zinc/17/48/52/1048174852.db2.gz CXFTZLPFBRXGHT-INIZCTEOSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001143731315 1048177584 /nfs/dbraw/zinc/17/75/84/1048177584.db2.gz SFGIKPJWSRUTEK-SFHVURJKSA-N 1 2 340.854 4.393 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001143731315 1048177589 /nfs/dbraw/zinc/17/75/89/1048177589.db2.gz SFGIKPJWSRUTEK-SFHVURJKSA-N 1 2 340.854 4.393 20 30 EIEDLO CCC(=[NH+]Nc1ccc(C#N)cc1C(F)(F)F)c1cccc(N)c1 ZINC000814923033 1048236939 /nfs/dbraw/zinc/23/69/39/1048236939.db2.gz IJOATENLEBVNEK-UHFFFAOYSA-N 1 2 332.329 4.385 20 30 EIEDLO C=CC[C@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)c1ccccc1 ZINC001143857599 1048250571 /nfs/dbraw/zinc/25/05/71/1048250571.db2.gz LQMNTJZXHNQGDB-KRWDZBQOSA-N 1 2 343.496 4.283 20 30 EIEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000815077975 1048321983 /nfs/dbraw/zinc/32/19/83/1048321983.db2.gz JZTFCAVODIPKDP-QFIPXVFZSA-N 1 2 349.478 4.213 20 30 EIEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000815077975 1048321996 /nfs/dbraw/zinc/32/19/96/1048321996.db2.gz JZTFCAVODIPKDP-QFIPXVFZSA-N 1 2 349.478 4.213 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1 ZINC000809652759 1048453553 /nfs/dbraw/zinc/45/35/53/1048453553.db2.gz YECBEVYGRSEFNS-OAHLLOKOSA-N 1 2 331.419 4.131 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(Cl)cc1F ZINC000809699991 1048467206 /nfs/dbraw/zinc/46/72/06/1048467206.db2.gz VONNOHYKXSPTBG-LJQANCHMSA-N 1 2 339.801 4.129 20 30 EIEDLO N#CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000846010289 1048785563 /nfs/dbraw/zinc/78/55/63/1048785563.db2.gz IOLBJXCJSPRQMW-UHFFFAOYSA-N 1 2 328.199 4.075 20 30 EIEDLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(C#N)CCCC1 ZINC000846012337 1048787963 /nfs/dbraw/zinc/78/79/63/1048787963.db2.gz YFKLMUXVJAZQCN-UHFFFAOYSA-N 1 2 328.847 4.008 20 30 EIEDLO Cn1c2ccccc2nc1N[NH+]=Cc1ccccc1N1CCCCC1 ZINC000920927455 1048811994 /nfs/dbraw/zinc/81/19/94/1048811994.db2.gz LKDHHKVRGHRQKP-UHFFFAOYSA-N 1 2 333.439 4.010 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C2CCC(CC)CC2)c1=S ZINC000921045363 1048842788 /nfs/dbraw/zinc/84/27/88/1048842788.db2.gz BJLPYGJBWKCJKZ-UHFFFAOYSA-N 1 2 334.533 4.336 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C2CCC(CC)CC2)c1=S ZINC000921045363 1048842791 /nfs/dbraw/zinc/84/27/91/1048842791.db2.gz BJLPYGJBWKCJKZ-UHFFFAOYSA-N 1 2 334.533 4.336 20 30 EIEDLO N#CC1(c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)CCOCC1 ZINC000846779427 1048894953 /nfs/dbraw/zinc/89/49/53/1048894953.db2.gz MFOXUQZQTVZDBM-UHFFFAOYSA-N 1 2 343.430 4.170 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000811517690 1049104064 /nfs/dbraw/zinc/10/40/64/1049104064.db2.gz ZVHRWEPUQBLONT-IBGZPJMESA-N 1 2 339.801 4.129 20 30 EIEDLO COc1ccc(-c2cc(C[N@H+](CCC#N)CC(C)(C)C)on2)cc1 ZINC000609540568 1049141766 /nfs/dbraw/zinc/14/17/66/1049141766.db2.gz DJYLXDVOJNXKIZ-UHFFFAOYSA-N 1 2 327.428 4.112 20 30 EIEDLO COc1ccc(-c2cc(C[N@@H+](CCC#N)CC(C)(C)C)on2)cc1 ZINC000609540568 1049141783 /nfs/dbraw/zinc/14/17/83/1049141783.db2.gz DJYLXDVOJNXKIZ-UHFFFAOYSA-N 1 2 327.428 4.112 20 30 EIEDLO N#Cc1cc(Br)ccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000805748708 1049512643 /nfs/dbraw/zinc/51/26/43/1049512643.db2.gz QMAHHTDXLUABHK-UHFFFAOYSA-N 1 2 345.215 4.239 20 30 EIEDLO C=CCOc1ccccc1[C@@H](C)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC001171372209 1049536150 /nfs/dbraw/zinc/53/61/50/1049536150.db2.gz GRYXBNIMYNYYGI-CYBMUJFWSA-N 1 2 339.439 4.409 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000812795318 1049591038 /nfs/dbraw/zinc/59/10/38/1049591038.db2.gz QYOXQBHNEAZSIS-SFHVURJKSA-N 1 2 326.371 4.321 20 30 EIEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813331478 1049753170 /nfs/dbraw/zinc/75/31/70/1049753170.db2.gz JNGNHNVHDZICBX-UHFFFAOYSA-N 1 2 345.446 4.111 20 30 EIEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813331478 1049753182 /nfs/dbraw/zinc/75/31/82/1049753182.db2.gz JNGNHNVHDZICBX-UHFFFAOYSA-N 1 2 345.446 4.111 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2c(Cl)nc3ccccn32)C2CC2)cc1 ZINC000180028718 1049824302 /nfs/dbraw/zinc/82/43/02/1049824302.db2.gz OGQDSCMGJFHPDT-UHFFFAOYSA-N 1 2 336.826 4.024 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2c(Cl)nc3ccccn32)C2CC2)cc1 ZINC000180028718 1049824305 /nfs/dbraw/zinc/82/43/05/1049824305.db2.gz OGQDSCMGJFHPDT-UHFFFAOYSA-N 1 2 336.826 4.024 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090303 1049848584 /nfs/dbraw/zinc/84/85/84/1049848584.db2.gz OIUZPTDIIMTNOB-PDOICOKGSA-N 1 2 349.519 4.225 20 30 EIEDLO CCCCCCC[C@H](CC)[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359303 1049895201 /nfs/dbraw/zinc/89/52/01/1049895201.db2.gz VJFUCBOTCPKMFX-ZDUSSCGKSA-N 1 2 332.414 4.252 20 30 EIEDLO CCCCCCC[C@H](CC)[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359303 1049895205 /nfs/dbraw/zinc/89/52/05/1049895205.db2.gz VJFUCBOTCPKMFX-ZDUSSCGKSA-N 1 2 332.414 4.252 20 30 EIEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2Oc2ccccc2)nn1 ZINC001178003187 1050353291 /nfs/dbraw/zinc/35/32/91/1050353291.db2.gz LPJLYFOJYTVGFS-UHFFFAOYSA-N 1 2 348.450 4.245 20 30 EIEDLO N#CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CCCCC1 ZINC001179173418 1050647067 /nfs/dbraw/zinc/64/70/67/1050647067.db2.gz PDATVFBQPLMORN-UHFFFAOYSA-N 1 2 342.874 4.148 20 30 EIEDLO COC(=O)c1scc(C#N)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381252 1050943139 /nfs/dbraw/zinc/94/31/39/1050943139.db2.gz CCUIGUBZQONPJH-UHFFFAOYSA-N 1 2 340.408 4.081 20 30 EIEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc3[nH+]ccn3c2)c1 ZINC001189285051 1050944075 /nfs/dbraw/zinc/94/40/75/1050944075.db2.gz DQWHIUCTZAWBEK-UHFFFAOYSA-N 1 2 348.450 4.102 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1Cl ZINC001174523176 1051053929 /nfs/dbraw/zinc/05/39/29/1051053929.db2.gz GMVNSKUNVXPDHO-UHFFFAOYSA-N 1 2 330.794 4.480 20 30 EIEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529330 1051206359 /nfs/dbraw/zinc/20/63/59/1051206359.db2.gz RIPRULQYJRLVNU-LJQANCHMSA-N 1 2 340.810 4.371 20 30 EIEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529330 1051206370 /nfs/dbraw/zinc/20/63/70/1051206370.db2.gz RIPRULQYJRLVNU-LJQANCHMSA-N 1 2 340.810 4.371 20 30 EIEDLO CCCCCCC[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001175004182 1051288954 /nfs/dbraw/zinc/28/89/54/1051288954.db2.gz NPMRLOUTJBPBEE-GOSISDBHSA-N 1 2 325.880 4.374 20 30 EIEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775460010 1051470259 /nfs/dbraw/zinc/47/02/59/1051470259.db2.gz RFKJUMQTMRQRHI-LBPRGKRZSA-N 1 2 348.805 4.241 20 30 EIEDLO N#Cc1cc(Br)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352450 1051544836 /nfs/dbraw/zinc/54/48/36/1051544836.db2.gz PJBSAJLWENFHCK-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183311564 1051823818 /nfs/dbraw/zinc/82/38/18/1051823818.db2.gz DQYSJQGDADUBOZ-BBRMVZONSA-N 1 2 343.389 4.124 20 30 EIEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184495488 1052022812 /nfs/dbraw/zinc/02/28/12/1052022812.db2.gz HCPKWOIRFGHHNX-GFCCVEGCSA-N 1 2 329.469 4.172 20 30 EIEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000184687086 1053004811 /nfs/dbraw/zinc/00/48/11/1053004811.db2.gz FAQCDWTVMUWEFZ-GFCCVEGCSA-N 1 2 338.398 4.427 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)Cc2ccccc2O1 ZINC001194765039 1053099059 /nfs/dbraw/zinc/09/90/59/1053099059.db2.gz UOECVRQBFWBIJW-CYBMUJFWSA-N 1 2 346.352 4.360 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)Cc2ccccc2O1 ZINC001194765039 1053099074 /nfs/dbraw/zinc/09/90/74/1053099074.db2.gz UOECVRQBFWBIJW-CYBMUJFWSA-N 1 2 346.352 4.360 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cc2c(s1)CCC2 ZINC000764443828 1053106377 /nfs/dbraw/zinc/10/63/77/1053106377.db2.gz YKHVHSTUDTYHQS-AATRIKPKSA-N 1 2 328.824 4.434 20 30 EIEDLO Cc1cc([NH+](C)C)ccc1NCc1cc(C#N)ccc1Br ZINC000864004176 1053124464 /nfs/dbraw/zinc/12/44/64/1053124464.db2.gz LPOZBTXZVFFHPH-UHFFFAOYSA-N 1 2 344.256 4.307 20 30 EIEDLO Cc1cc(F)ccc1N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000750939172 1053230194 /nfs/dbraw/zinc/23/01/94/1053230194.db2.gz XIIYQWHXUITMBI-UHFFFAOYSA-N 1 2 338.839 4.290 20 30 EIEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797570293 1053252917 /nfs/dbraw/zinc/25/29/17/1053252917.db2.gz FGQQWCOWCJOHOG-CQSZACIVSA-N 1 2 335.517 4.129 20 30 EIEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797570293 1053252929 /nfs/dbraw/zinc/25/29/29/1053252929.db2.gz FGQQWCOWCJOHOG-CQSZACIVSA-N 1 2 335.517 4.129 20 30 EIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(Br)ncc1F ZINC000850551738 1053307409 /nfs/dbraw/zinc/30/74/09/1053307409.db2.gz VEPPMKDXNIYTDI-LLVKDONJSA-N 1 2 340.240 4.108 20 30 EIEDLO Cc1ccccc1C(F)(F)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000850561221 1053317140 /nfs/dbraw/zinc/31/71/40/1053317140.db2.gz LSBQTQULGCLZHW-HNNXBMFYSA-N 1 2 330.378 4.340 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000764865697 1053346639 /nfs/dbraw/zinc/34/66/39/1053346639.db2.gz PUDWTSBUHPMSGT-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000764865697 1053346657 /nfs/dbraw/zinc/34/66/57/1053346657.db2.gz PUDWTSBUHPMSGT-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)sc1Br ZINC000794733802 1053353697 /nfs/dbraw/zinc/35/36/97/1053353697.db2.gz SOPIWXLYSZHTJK-WAYWQWQTSA-N 1 2 347.237 4.363 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[NH+](CCC)CCC)c1=S ZINC000764884425 1053355747 /nfs/dbraw/zinc/35/57/47/1053355747.db2.gz VUTIERJKQSWOHN-UHFFFAOYSA-N 1 2 336.530 4.408 20 30 EIEDLO Cc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)sc1Br ZINC000794733136 1053362007 /nfs/dbraw/zinc/36/20/07/1053362007.db2.gz NSRYPLXIWLARDC-AATRIKPKSA-N 1 2 347.237 4.363 20 30 EIEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000925487063 1053376081 /nfs/dbraw/zinc/37/60/81/1053376081.db2.gz BGFJASAWPOMABX-HNNXBMFYSA-N 1 2 334.341 4.021 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)cc1 ZINC000775649877 1053386207 /nfs/dbraw/zinc/38/62/07/1053386207.db2.gz UPCVMNAPTOHDLL-UHFFFAOYSA-N 1 2 330.790 4.221 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)cc1 ZINC000775649877 1053386221 /nfs/dbraw/zinc/38/62/21/1053386221.db2.gz UPCVMNAPTOHDLL-UHFFFAOYSA-N 1 2 330.790 4.221 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765027299 1053418381 /nfs/dbraw/zinc/41/83/81/1053418381.db2.gz GZTWCGACDIGJEU-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765027299 1053418390 /nfs/dbraw/zinc/41/83/90/1053418390.db2.gz GZTWCGACDIGJEU-HZPDHXFCSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765054288 1053425606 /nfs/dbraw/zinc/42/56/06/1053425606.db2.gz DTOGTYWALGWDEY-KGLIPLIRSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765054288 1053425612 /nfs/dbraw/zinc/42/56/12/1053425612.db2.gz DTOGTYWALGWDEY-KGLIPLIRSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765060604 1053431819 /nfs/dbraw/zinc/43/18/19/1053431819.db2.gz JLVRELSHAOZOEG-GDBMZVCRSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000765060604 1053431831 /nfs/dbraw/zinc/43/18/31/1053431831.db2.gz JLVRELSHAOZOEG-GDBMZVCRSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765060608 1053432472 /nfs/dbraw/zinc/43/24/72/1053432472.db2.gz JLVRELSHAOZOEG-ZBFHGGJFSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765060608 1053432475 /nfs/dbraw/zinc/43/24/75/1053432475.db2.gz JLVRELSHAOZOEG-ZBFHGGJFSA-N 1 2 342.512 4.263 20 30 EIEDLO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231812 1053658734 /nfs/dbraw/zinc/65/87/34/1053658734.db2.gz ABIZPSCEZJYTSM-UONOGXRCSA-N 1 2 340.423 4.001 20 30 EIEDLO C#CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)C(C)(C)C ZINC001197929382 1054026948 /nfs/dbraw/zinc/02/69/48/1054026948.db2.gz GRODILTYAZEOIO-UHFFFAOYSA-N 1 2 329.875 4.127 20 30 EIEDLO C#CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)C(C)(C)C ZINC001197929382 1054026965 /nfs/dbraw/zinc/02/69/65/1054026965.db2.gz GRODILTYAZEOIO-UHFFFAOYSA-N 1 2 329.875 4.127 20 30 EIEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCc2ccccc21 ZINC001198105406 1054079575 /nfs/dbraw/zinc/07/95/75/1054079575.db2.gz XRXQCCHIBAOIIK-HXUWFJFHSA-N 1 2 338.382 4.247 20 30 EIEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCc2ccccc21 ZINC001198105406 1054079588 /nfs/dbraw/zinc/07/95/88/1054079588.db2.gz XRXQCCHIBAOIIK-HXUWFJFHSA-N 1 2 338.382 4.247 20 30 EIEDLO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(C#N)c(F)c1 ZINC001198742602 1054239815 /nfs/dbraw/zinc/23/98/15/1054239815.db2.gz OBGZJTMHHJPWCW-CYBMUJFWSA-N 1 2 343.471 4.301 20 30 EIEDLO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(C#N)c(F)c1 ZINC001198742602 1054239832 /nfs/dbraw/zinc/23/98/32/1054239832.db2.gz OBGZJTMHHJPWCW-CYBMUJFWSA-N 1 2 343.471 4.301 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1F ZINC000825886690 1054926160 /nfs/dbraw/zinc/92/61/60/1054926160.db2.gz PMJOCHANHMATGW-LJQANCHMSA-N 1 2 338.813 4.498 20 30 EIEDLO CCCCCCCCCN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201840071 1054931943 /nfs/dbraw/zinc/93/19/43/1054931943.db2.gz SNGCRZAECJNICG-UHFFFAOYSA-N 1 2 332.536 4.045 20 30 EIEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000876597978 1054933943 /nfs/dbraw/zinc/93/39/43/1054933943.db2.gz IOLNUCBORMQMKZ-CYBMUJFWSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000876597978 1054933954 /nfs/dbraw/zinc/93/39/54/1054933954.db2.gz IOLNUCBORMQMKZ-CYBMUJFWSA-N 1 2 329.831 4.198 20 30 EIEDLO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Cl)c1F ZINC000877404481 1055048641 /nfs/dbraw/zinc/04/86/41/1055048641.db2.gz COIWNISMGCUATL-UHFFFAOYSA-N 1 2 338.213 4.424 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cc(C)ccc1F)c1ccccc1 ZINC000878515279 1055328340 /nfs/dbraw/zinc/32/83/40/1055328340.db2.gz OPGBVOLGBSPPLQ-NRFANRHFSA-N 1 2 338.426 4.007 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cc(C)ccc1F)c1ccccc1 ZINC000878515279 1055328358 /nfs/dbraw/zinc/32/83/58/1055328358.db2.gz OPGBVOLGBSPPLQ-NRFANRHFSA-N 1 2 338.426 4.007 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cc(C)ccc1F)c1ccccc1 ZINC000878515280 1055328711 /nfs/dbraw/zinc/32/87/11/1055328711.db2.gz OPGBVOLGBSPPLQ-OAQYLSRUSA-N 1 2 338.426 4.007 20 30 EIEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cc(C)ccc1F)c1ccccc1 ZINC000878515280 1055328730 /nfs/dbraw/zinc/32/87/30/1055328730.db2.gz OPGBVOLGBSPPLQ-OAQYLSRUSA-N 1 2 338.426 4.007 20 30 EIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCCc1cn2ccccc2[nH+]1 ZINC000301327549 1055920981 /nfs/dbraw/zinc/92/09/81/1055920981.db2.gz BQZRHFVRMBDAEY-UHFFFAOYSA-N 1 2 347.809 4.062 20 30 EIEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000301630087 1055958947 /nfs/dbraw/zinc/95/89/47/1055958947.db2.gz ILPCHMVGJYZXJP-KXBFYZLASA-N 1 2 345.450 4.007 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000091334082 1056025849 /nfs/dbraw/zinc/02/58/49/1056025849.db2.gz QXFKTHOQMWERTE-LLVKDONJSA-N 1 2 342.805 4.088 20 30 EIEDLO C=CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000303754092 1056273855 /nfs/dbraw/zinc/27/38/55/1056273855.db2.gz CNQFZPDWJZFRHR-UHFFFAOYSA-N 1 2 346.475 4.061 20 30 EIEDLO C=CCCn1cc(C[NH2+]C(c2cccc(C)c2)c2cccc(C)c2)nn1 ZINC000656117030 1056560851 /nfs/dbraw/zinc/56/08/51/1056560851.db2.gz OQQLRYIULMXJGR-UHFFFAOYSA-N 1 2 346.478 4.350 20 30 EIEDLO Cc1cccn2c(/C=C3\COc4c(C)cc(Cl)cc4C3=O)c[nH+]c12 ZINC000741467461 1058227163 /nfs/dbraw/zinc/22/71/63/1058227163.db2.gz OIRWRPXHKZOCBK-NTUHNPAUSA-N 1 2 338.794 4.263 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC3(C2)CCCCCC3)c1=S ZINC000743386104 1058968457 /nfs/dbraw/zinc/96/84/57/1058968457.db2.gz RXAQYQTXFQQGAG-UHFFFAOYSA-N 1 2 334.533 4.302 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC3(C2)CCCCCC3)c1=S ZINC000743386104 1058968486 /nfs/dbraw/zinc/96/84/86/1058968486.db2.gz RXAQYQTXFQQGAG-UHFFFAOYSA-N 1 2 334.533 4.302 20 30 EIEDLO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(Cl)nc2)ccc1O ZINC000743450548 1059000987 /nfs/dbraw/zinc/00/09/87/1059000987.db2.gz MAMKPZHEGPYTMG-UHFFFAOYSA-N 1 2 346.862 4.119 20 30 EIEDLO C=CC[C@H](C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1ccccc1 ZINC001169157823 1060672555 /nfs/dbraw/zinc/67/25/55/1060672555.db2.gz ABRICHIEXRMZGG-FQEVSTJZSA-N 1 2 345.446 4.026 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000532818409 1032338319 /nfs/dbraw/zinc/33/83/19/1032338319.db2.gz QPCRAYCOWWDXNF-INIZCTEOSA-N 1 2 333.435 4.063 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000532818409 1032338327 /nfs/dbraw/zinc/33/83/27/1032338327.db2.gz QPCRAYCOWWDXNF-INIZCTEOSA-N 1 2 333.435 4.063 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1C ZINC000177601332 1032508686 /nfs/dbraw/zinc/50/86/86/1032508686.db2.gz FHNLSCZVFGRRSC-OAHLLOKOSA-N 1 2 345.512 4.240 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1C ZINC000177601332 1032508694 /nfs/dbraw/zinc/50/86/94/1032508694.db2.gz FHNLSCZVFGRRSC-OAHLLOKOSA-N 1 2 345.512 4.240 20 30 EIEDLO N#CCC1(CNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450503188 1032532451 /nfs/dbraw/zinc/53/24/51/1032532451.db2.gz RIPVJHIVPRMFPX-UHFFFAOYSA-N 1 2 334.192 4.242 20 30 EIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC2(C#N)CCC2)C3)cs1 ZINC000450647932 1032617026 /nfs/dbraw/zinc/61/70/26/1032617026.db2.gz UFIRUHUDSGEGBL-UHFFFAOYSA-N 1 2 329.494 4.232 20 30 EIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC2(C#N)CCC2)C3)cs1 ZINC000450647932 1032617044 /nfs/dbraw/zinc/61/70/44/1032617044.db2.gz UFIRUHUDSGEGBL-UHFFFAOYSA-N 1 2 329.494 4.232 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1Br ZINC000026329469 1032709791 /nfs/dbraw/zinc/70/97/91/1032709791.db2.gz RVTPIILQWDHYFD-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1Br ZINC000026329469 1032709813 /nfs/dbraw/zinc/70/98/13/1032709813.db2.gz RVTPIILQWDHYFD-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000340148742 1020477925 /nfs/dbraw/zinc/47/79/25/1020477925.db2.gz OWFSJLWXKFSMTC-UHFFFAOYSA-N 1 2 333.391 4.080 20 30 EIEDLO C=CC1(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC001125339866 1020631027 /nfs/dbraw/zinc/63/10/27/1020631027.db2.gz QDNTUSCXUYGZRZ-UHFFFAOYSA-N 1 2 337.467 4.074 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000610343883 1021337101 /nfs/dbraw/zinc/33/71/01/1021337101.db2.gz VQUOXCDCYUKRBF-LSDHHAIUSA-N 1 2 332.407 4.329 20 30 EIEDLO N#CCCCOc1cccc(CNc2[nH+]c3ccccc3n2C2CC2)c1 ZINC000613104208 1021723958 /nfs/dbraw/zinc/72/39/58/1021723958.db2.gz ABGOTZZBYLSUDJ-UHFFFAOYSA-N 1 2 346.434 4.088 20 30 EIEDLO C[NH+](C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000255194718 1021857335 /nfs/dbraw/zinc/85/73/35/1021857335.db2.gz LKIRVADZPRJHNM-KURMNSRBSA-N 1 2 343.279 4.482 20 30 EIEDLO CC(C)(C)c1csc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000371487395 1022481247 /nfs/dbraw/zinc/48/12/47/1022481247.db2.gz DBQIPTVJUMGGLV-CQSZACIVSA-N 1 2 330.501 4.064 20 30 EIEDLO N#Cc1csc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC000356294978 1022624101 /nfs/dbraw/zinc/62/41/01/1022624101.db2.gz GPQOLHGLYGAYOW-QGZVFWFLSA-N 1 2 333.407 4.077 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001167705410 1022847442 /nfs/dbraw/zinc/84/74/42/1022847442.db2.gz JKPJMODPFAFCOR-RXVVDRJESA-N 1 2 347.418 4.368 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001167705410 1022847446 /nfs/dbraw/zinc/84/74/46/1022847446.db2.gz JKPJMODPFAFCOR-RXVVDRJESA-N 1 2 347.418 4.368 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C#N)cc1 ZINC000365798907 1022857164 /nfs/dbraw/zinc/85/71/64/1022857164.db2.gz VLRUAEWRMVVCKD-HXUWFJFHSA-N 1 2 328.419 4.256 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(Br)c1 ZINC000181197679 1022895641 /nfs/dbraw/zinc/89/56/41/1022895641.db2.gz VFGKWVJJTPJFAW-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(Br)c1 ZINC000181197679 1022895642 /nfs/dbraw/zinc/89/56/42/1022895642.db2.gz VFGKWVJJTPJFAW-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO Cc1cc2c(s1)N(c1nc(C#N)ccc1C)c1ccccc1NC2=[NH2+] ZINC001167456272 1023072965 /nfs/dbraw/zinc/07/29/65/1023072965.db2.gz AGLYGYZAVBZHKV-UHFFFAOYSA-N 1 2 345.431 4.452 20 30 EIEDLO Cc1cc2c(s1)N(c1cncc(CC#N)c1)c1ccccc1NC2=[NH2+] ZINC001167463786 1023229612 /nfs/dbraw/zinc/22/96/12/1023229612.db2.gz ZZYYYWWOBXBXJN-UHFFFAOYSA-N 1 2 345.431 4.338 20 30 EIEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000500401612 1023797664 /nfs/dbraw/zinc/79/76/64/1023797664.db2.gz JENYIMKNJTYFBE-SFHVURJKSA-N 1 2 347.384 4.018 20 30 EIEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000500401612 1023797671 /nfs/dbraw/zinc/79/76/71/1023797671.db2.gz JENYIMKNJTYFBE-SFHVURJKSA-N 1 2 347.384 4.018 20 30 EIEDLO Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1C#N ZINC001216073820 1023863062 /nfs/dbraw/zinc/86/30/62/1023863062.db2.gz PBUUATZPLKJEMH-UHFFFAOYSA-N 1 2 327.185 4.021 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)o1 ZINC000510625084 1024112361 /nfs/dbraw/zinc/11/23/61/1024112361.db2.gz PVAHZEKXQMBWJM-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)o1 ZINC000510625084 1024112372 /nfs/dbraw/zinc/11/23/72/1024112372.db2.gz PVAHZEKXQMBWJM-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000044567256 1024251371 /nfs/dbraw/zinc/25/13/71/1024251371.db2.gz FPAMYPFATQEJSD-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000044567557 1024251522 /nfs/dbraw/zinc/25/15/22/1024251522.db2.gz UVWYBZQNXZASOK-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO CC[N@@H+](Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@H](C)C#N ZINC000091983478 1024707236 /nfs/dbraw/zinc/70/72/36/1024707236.db2.gz OWLQYBAZMLQYEQ-CQSZACIVSA-N 1 2 344.890 4.183 20 30 EIEDLO CC[N@H+](Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@H](C)C#N ZINC000091983478 1024707251 /nfs/dbraw/zinc/70/72/51/1024707251.db2.gz OWLQYBAZMLQYEQ-CQSZACIVSA-N 1 2 344.890 4.183 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162877007 1024960264 /nfs/dbraw/zinc/96/02/64/1024960264.db2.gz OZCOQIUYZRDAEK-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162877007 1024960273 /nfs/dbraw/zinc/96/02/73/1024960273.db2.gz OZCOQIUYZRDAEK-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000278863283 1025052931 /nfs/dbraw/zinc/05/29/31/1025052931.db2.gz WMWWJHFABXZNMZ-DIFFPNOSSA-N 1 2 335.350 4.312 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(-c2ccccn2)c1 ZINC000162246572 1025118731 /nfs/dbraw/zinc/11/87/31/1025118731.db2.gz QAHOSUOXCAJDAL-UHFFFAOYSA-N 1 2 344.418 4.438 20 30 EIEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](c2ccco2)C1 ZINC000247700271 1025153943 /nfs/dbraw/zinc/15/39/43/1025153943.db2.gz XSLZDPRFPXWVTO-RHSMWYFYSA-N 1 2 348.406 4.174 20 30 EIEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](c2ccco2)C1 ZINC000247700271 1025153950 /nfs/dbraw/zinc/15/39/50/1025153950.db2.gz XSLZDPRFPXWVTO-RHSMWYFYSA-N 1 2 348.406 4.174 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000551412509 1026174893 /nfs/dbraw/zinc/17/48/93/1026174893.db2.gz YCFDERNTCROJNI-UHFFFAOYSA-N 1 2 333.366 4.131 20 30 EIEDLO COc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccc(C)cc2)cc1 ZINC000571128281 1026175104 /nfs/dbraw/zinc/17/51/04/1026175104.db2.gz RCNCNUJPTLDVSO-FQEVSTJZSA-N 1 2 349.459 4.211 20 30 EIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000187724518 1026304697 /nfs/dbraw/zinc/30/46/97/1026304697.db2.gz UYMQXXBUCJWDKH-CVEARBPZSA-N 1 2 325.481 4.060 20 30 EIEDLO C[C@H](c1ccsc1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724534 1026307238 /nfs/dbraw/zinc/30/72/38/1026307238.db2.gz UYMQXXBUCJWDKH-JKSUJKDBSA-N 1 2 325.481 4.060 20 30 EIEDLO N#Cc1cccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1F ZINC000342550266 1026625206 /nfs/dbraw/zinc/62/52/06/1026625206.db2.gz AHZUERIQZIBJLV-UHFFFAOYSA-N 1 2 344.393 4.225 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(Br)cc1Cl ZINC000662088246 1026793037 /nfs/dbraw/zinc/79/30/37/1026793037.db2.gz BDOUHODDQAVABZ-TXEJJXNPSA-N 1 2 327.653 4.181 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(Br)cc1Cl ZINC000662088246 1026793044 /nfs/dbraw/zinc/79/30/44/1026793044.db2.gz BDOUHODDQAVABZ-TXEJJXNPSA-N 1 2 327.653 4.181 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000519701655 1026949753 /nfs/dbraw/zinc/94/97/53/1026949753.db2.gz JRVKNVHSQIPYTO-LLVKDONJSA-N 1 2 344.440 4.071 20 30 EIEDLO CC(=O)Nc1ccc(CC/[NH+]=C/c2c(O)ccc3ccccc32)cc1 ZINC000728785520 1027182881 /nfs/dbraw/zinc/18/28/81/1027182881.db2.gz JZEPGTFZXLIDKD-HYARGMPZSA-N 1 2 332.403 4.165 20 30 EIEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1cnn(-c2ccccc2)c1 ZINC000441148920 1027321933 /nfs/dbraw/zinc/32/19/33/1027321933.db2.gz CROVUWBAKHYUJQ-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1cnn(-c2ccccc2)c1 ZINC000441148920 1027321944 /nfs/dbraw/zinc/32/19/44/1027321944.db2.gz CROVUWBAKHYUJQ-UHFFFAOYSA-N 1 2 335.838 4.009 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCO1 ZINC000329102698 1027592345 /nfs/dbraw/zinc/59/23/45/1027592345.db2.gz NKEVDEACPPXOBS-BMGDNIKJSA-N 1 2 345.487 4.203 20 30 EIEDLO C[C@H]1CCN(C(=O)Nc2cccc3ccsc32)C[C@H]1n1cc[nH+]c1 ZINC000328809854 1027810539 /nfs/dbraw/zinc/81/05/39/1027810539.db2.gz MNWIMZAMYMGMFK-XJKSGUPXSA-N 1 2 340.452 4.226 20 30 EIEDLO N#Cc1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1F ZINC000520436810 1027827874 /nfs/dbraw/zinc/82/78/74/1027827874.db2.gz DSSYGNYIFSHRPK-UHFFFAOYSA-N 1 2 347.393 4.476 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727941283 1027913856 /nfs/dbraw/zinc/91/38/56/1027913856.db2.gz XJKFFUKFUDBNGO-IAGOWNOFSA-N 1 2 334.508 4.295 20 30 EIEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331295580 1027953589 /nfs/dbraw/zinc/95/35/89/1027953589.db2.gz CNUHRCWVGBAPQI-ZDUSSCGKSA-N 1 2 343.475 4.354 20 30 EIEDLO Cc1nc(C(C)(C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)sc1C ZINC000331349250 1027962349 /nfs/dbraw/zinc/96/23/49/1027962349.db2.gz XRXUQRBZKLUWNO-UHFFFAOYSA-N 1 2 332.473 4.151 20 30 EIEDLO Cc1csc(C2([NH2+]CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CCC2)n1 ZINC000329760273 1028116990 /nfs/dbraw/zinc/11/69/90/1028116990.db2.gz PZKCEFFQKIDQHB-AEGPPILISA-N 1 2 335.517 4.202 20 30 EIEDLO CC[C@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329793788 1028123811 /nfs/dbraw/zinc/12/38/11/1028123811.db2.gz FUARBBGQLWEXGD-KRWDZBQOSA-N 1 2 338.455 4.306 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC000330320536 1028456104 /nfs/dbraw/zinc/45/61/04/1028456104.db2.gz FGCWODOVHVIMEK-UXLLHSPISA-N 1 2 333.476 4.203 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000027775323 1028774822 /nfs/dbraw/zinc/77/48/22/1028774822.db2.gz LODYHKDJFJBJNI-UHFFFAOYSA-N 1 2 330.431 4.467 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000027775323 1028774846 /nfs/dbraw/zinc/77/48/46/1028774846.db2.gz LODYHKDJFJBJNI-UHFFFAOYSA-N 1 2 330.431 4.467 20 30 EIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1(C#N)CC1 ZINC000343241534 1028776314 /nfs/dbraw/zinc/77/63/14/1028776314.db2.gz YVONRAVTJJUVPU-UHFFFAOYSA-N 1 2 342.446 4.275 20 30 EIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1(C#N)CC1 ZINC000343241534 1028776327 /nfs/dbraw/zinc/77/63/27/1028776327.db2.gz YVONRAVTJJUVPU-UHFFFAOYSA-N 1 2 342.446 4.275 20 30 EIEDLO C=C1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000524564142 1029052672 /nfs/dbraw/zinc/05/26/72/1029052672.db2.gz DLLCZZGLOIFTNJ-UHFFFAOYSA-N 1 2 333.229 4.256 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000440971861 1029170968 /nfs/dbraw/zinc/17/09/68/1029170968.db2.gz HNXQXEHBSZZLMM-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000440971861 1029170977 /nfs/dbraw/zinc/17/09/77/1029170977.db2.gz HNXQXEHBSZZLMM-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121681419 1029562085 /nfs/dbraw/zinc/56/20/85/1029562085.db2.gz OKCPFHMVACGCSG-HXUWFJFHSA-N 1 2 348.425 4.404 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121681419 1029562097 /nfs/dbraw/zinc/56/20/97/1029562097.db2.gz OKCPFHMVACGCSG-HXUWFJFHSA-N 1 2 348.425 4.404 20 30 EIEDLO CC(C)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000475404742 1029615281 /nfs/dbraw/zinc/61/52/81/1029615281.db2.gz MTTAJJNNRZGUPE-INIZCTEOSA-N 1 2 347.462 4.067 20 30 EIEDLO CC(C)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000475404742 1029615289 /nfs/dbraw/zinc/61/52/89/1029615289.db2.gz MTTAJJNNRZGUPE-INIZCTEOSA-N 1 2 347.462 4.067 20 30 EIEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000532537074 1031254064 /nfs/dbraw/zinc/25/40/64/1031254064.db2.gz SMCHPTHLLNTKCE-QGZVFWFLSA-N 1 2 343.377 4.200 20 30 EIEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000532537074 1031254084 /nfs/dbraw/zinc/25/40/84/1031254084.db2.gz SMCHPTHLLNTKCE-QGZVFWFLSA-N 1 2 343.377 4.200 20 30 EIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449054667 1031409265 /nfs/dbraw/zinc/40/92/65/1031409265.db2.gz QQBFXGQXWKHYMU-UHFFFAOYSA-N 1 2 329.513 4.433 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000612406828 1031489923 /nfs/dbraw/zinc/48/99/23/1031489923.db2.gz VBSUJJYOEZZDEH-QFIPXVFZSA-N 1 2 345.446 4.263 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000612406828 1031489930 /nfs/dbraw/zinc/48/99/30/1031489930.db2.gz VBSUJJYOEZZDEH-QFIPXVFZSA-N 1 2 345.446 4.263 20 30 EIEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323363 1031923071 /nfs/dbraw/zinc/92/30/71/1031923071.db2.gz SJDJLGFTDGGDGV-UHFFFAOYSA-N 1 2 335.451 4.061 20 30 EIEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323363 1031923092 /nfs/dbraw/zinc/92/30/92/1031923092.db2.gz SJDJLGFTDGGDGV-UHFFFAOYSA-N 1 2 335.451 4.061 20 30 EIEDLO Cc1sc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c1C ZINC000573573803 1033393069 /nfs/dbraw/zinc/39/30/69/1033393069.db2.gz AQLUMRKCIKNVDE-OAHLLOKOSA-N 1 2 347.871 4.131 20 30 EIEDLO Cc1sc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c1C ZINC000573573802 1033395013 /nfs/dbraw/zinc/39/50/13/1033395013.db2.gz AQLUMRKCIKNVDE-HNNXBMFYSA-N 1 2 347.871 4.131 20 30 EIEDLO N#Cc1csc(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)n1 ZINC000573769292 1033597253 /nfs/dbraw/zinc/59/72/53/1033597253.db2.gz OZZVGULJKDTWKG-HXUWFJFHSA-N 1 2 345.471 4.357 20 30 EIEDLO N#Cc1csc(C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)n1 ZINC000573769292 1033597273 /nfs/dbraw/zinc/59/72/73/1033597273.db2.gz OZZVGULJKDTWKG-HXUWFJFHSA-N 1 2 345.471 4.357 20 30 EIEDLO CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000509781201 1033876781 /nfs/dbraw/zinc/87/67/81/1033876781.db2.gz GJJJMVZMIMSOIN-JTQLQIEISA-N 1 2 349.194 4.449 20 30 EIEDLO CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000509781201 1033876782 /nfs/dbraw/zinc/87/67/82/1033876782.db2.gz GJJJMVZMIMSOIN-JTQLQIEISA-N 1 2 349.194 4.449 20 30 EIEDLO CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120544975 1034433368 /nfs/dbraw/zinc/43/33/68/1034433368.db2.gz KKJWSAUIBRWPRD-LBPRGKRZSA-N 1 2 347.871 4.122 20 30 EIEDLO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120544975 1034433384 /nfs/dbraw/zinc/43/33/84/1034433384.db2.gz KKJWSAUIBRWPRD-LBPRGKRZSA-N 1 2 347.871 4.122 20 30 EIEDLO C=C1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000513478907 1034981115 /nfs/dbraw/zinc/98/11/15/1034981115.db2.gz GVMRLMAXPLGPRW-UHFFFAOYSA-N 1 2 328.843 4.466 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000513713921 1035440433 /nfs/dbraw/zinc/44/04/33/1035440433.db2.gz VOWQHGSHWGXRSW-UHFFFAOYSA-N 1 2 328.378 4.389 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000513713921 1035440446 /nfs/dbraw/zinc/44/04/46/1035440446.db2.gz VOWQHGSHWGXRSW-UHFFFAOYSA-N 1 2 328.378 4.389 20 30 EIEDLO COc1ccc(OC(F)F)c(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000513717521 1035460960 /nfs/dbraw/zinc/46/09/60/1035460960.db2.gz PUHPQZCIPBITNG-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO COc1ccc(OC(F)F)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000513717521 1035460963 /nfs/dbraw/zinc/46/09/63/1035460963.db2.gz PUHPQZCIPBITNG-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000595623679 1035739438 /nfs/dbraw/zinc/73/94/38/1035739438.db2.gz WXBGLQMOQAVFLY-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000595623679 1035739445 /nfs/dbraw/zinc/73/94/45/1035739445.db2.gz WXBGLQMOQAVFLY-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)cc1F ZINC000595752586 1035784726 /nfs/dbraw/zinc/78/47/26/1035784726.db2.gz NDLDXXYWKHUPDE-KRWDZBQOSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)cc1F ZINC000595752586 1035784745 /nfs/dbraw/zinc/78/47/45/1035784745.db2.gz NDLDXXYWKHUPDE-KRWDZBQOSA-N 1 2 328.362 4.182 20 30 EIEDLO N#Cc1c(F)ccc(C[NH+]2CCC(OC3CCCC3)CC2)c1Cl ZINC000366857168 1036237754 /nfs/dbraw/zinc/23/77/54/1036237754.db2.gz WVUGBWPPPBAZLH-UHFFFAOYSA-N 1 2 336.838 4.274 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001168382738 1036359809 /nfs/dbraw/zinc/35/98/09/1036359809.db2.gz PKYWJOBICGCBJF-OAQYLSRUSA-N 1 2 336.435 4.483 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001168382738 1036359830 /nfs/dbraw/zinc/35/98/30/1036359830.db2.gz PKYWJOBICGCBJF-OAQYLSRUSA-N 1 2 336.435 4.483 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000602870874 1036652537 /nfs/dbraw/zinc/65/25/37/1036652537.db2.gz XYYFCCFMOKBNND-LSDHHAIUSA-N 1 2 339.464 4.057 20 30 EIEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272891674 1037318655 /nfs/dbraw/zinc/31/86/55/1037318655.db2.gz DWEHOGMQSFJVBL-HNNXBMFYSA-N 1 2 326.362 4.019 20 30 EIEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272891674 1037318663 /nfs/dbraw/zinc/31/86/63/1037318663.db2.gz DWEHOGMQSFJVBL-HNNXBMFYSA-N 1 2 326.362 4.019 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000513784638 1037602389 /nfs/dbraw/zinc/60/23/89/1037602389.db2.gz WCKLXIDGHVKDTC-INIZCTEOSA-N 1 2 349.434 4.494 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000513784638 1037602401 /nfs/dbraw/zinc/60/24/01/1037602401.db2.gz WCKLXIDGHVKDTC-INIZCTEOSA-N 1 2 349.434 4.494 20 30 EIEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N ZINC000533955292 1038227055 /nfs/dbraw/zinc/22/70/55/1038227055.db2.gz DZYLAOVYIKHIES-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N ZINC000533955292 1038227063 /nfs/dbraw/zinc/22/70/63/1038227063.db2.gz DZYLAOVYIKHIES-SFHVURJKSA-N 1 2 347.418 4.435 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)nc1 ZINC000593961725 1038229900 /nfs/dbraw/zinc/22/99/00/1038229900.db2.gz LIYMPTVDXKGZBE-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)nc1 ZINC000593961725 1038229914 /nfs/dbraw/zinc/22/99/14/1038229914.db2.gz LIYMPTVDXKGZBE-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO Cc1cc(C)c(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)c(C)[nH+]1 ZINC000594110923 1038258262 /nfs/dbraw/zinc/25/82/62/1038258262.db2.gz HZZSSGHIEIEKFU-UHFFFAOYSA-N 1 2 334.423 4.079 20 30 EIEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC1CC1 ZINC000093091262 1039628895 /nfs/dbraw/zinc/62/88/95/1039628895.db2.gz PNRNIEZBHCKHKB-SFHVURJKSA-N 1 2 348.874 4.023 20 30 EIEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC1CC1 ZINC000093091262 1039628919 /nfs/dbraw/zinc/62/89/19/1039628919.db2.gz PNRNIEZBHCKHKB-SFHVURJKSA-N 1 2 348.874 4.023 20 30 EIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000093100901 1039630000 /nfs/dbraw/zinc/63/00/00/1039630000.db2.gz WSLDOUWVSOKDCE-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000093100901 1039630010 /nfs/dbraw/zinc/63/00/10/1039630010.db2.gz WSLDOUWVSOKDCE-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093090385 1039630500 /nfs/dbraw/zinc/63/05/00/1039630500.db2.gz GPWCOBPCDBFVLL-NSHDSACASA-N 1 2 333.775 4.242 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093090385 1039630522 /nfs/dbraw/zinc/63/05/22/1039630522.db2.gz GPWCOBPCDBFVLL-NSHDSACASA-N 1 2 333.775 4.242 20 30 EIEDLO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1OC ZINC000430096576 1039841278 /nfs/dbraw/zinc/84/12/78/1039841278.db2.gz FOTBFZSSBBCGHI-FQEVSTJZSA-N 1 2 338.451 4.238 20 30 EIEDLO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1OC ZINC000430096576 1039841280 /nfs/dbraw/zinc/84/12/80/1039841280.db2.gz FOTBFZSSBBCGHI-FQEVSTJZSA-N 1 2 338.451 4.238 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(F)cc1C#N)CCC2 ZINC000152706345 1039876104 /nfs/dbraw/zinc/87/61/04/1039876104.db2.gz KEFTWVJLARPGPH-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(F)cc1C#N)CCC2 ZINC000152706345 1039876107 /nfs/dbraw/zinc/87/61/07/1039876107.db2.gz KEFTWVJLARPGPH-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000462695907 1040844668 /nfs/dbraw/zinc/84/46/68/1040844668.db2.gz PSOSDEGADIXORA-ZDUSSCGKSA-N 1 2 331.872 4.156 20 30 EIEDLO C=CC(C)(C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000898456746 1040884423 /nfs/dbraw/zinc/88/44/23/1040884423.db2.gz FEQFXFFWNBPQCG-UHFFFAOYSA-N 1 2 333.432 4.021 20 30 EIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000554265103 1040926624 /nfs/dbraw/zinc/92/66/24/1040926624.db2.gz OSPPCSMKBFGEOE-SNVBAGLBSA-N 1 2 347.178 4.095 20 30 EIEDLO C(#Cc1ccccc1)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000483599254 1040907623 /nfs/dbraw/zinc/90/76/23/1040907623.db2.gz HIFOCZKCUXASMP-FQEVSTJZSA-N 1 2 343.430 4.315 20 30 EIEDLO C(#Cc1ccccc1)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000483599254 1040907647 /nfs/dbraw/zinc/90/76/47/1040907647.db2.gz HIFOCZKCUXASMP-FQEVSTJZSA-N 1 2 343.430 4.315 20 30 EIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000554265103 1040926604 /nfs/dbraw/zinc/92/66/04/1040926604.db2.gz OSPPCSMKBFGEOE-SNVBAGLBSA-N 1 2 347.178 4.095 20 30 EIEDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000425517820 1041110793 /nfs/dbraw/zinc/11/07/93/1041110793.db2.gz XERQOXDCTSNGPW-UHFFFAOYSA-N 1 2 332.806 4.384 20 30 EIEDLO CC(C)[N@H+](Cc1cc(Br)ccc1F)CC1(C#N)CC1 ZINC000538353248 1041286594 /nfs/dbraw/zinc/28/65/94/1041286594.db2.gz DYZIMMLEWLEAAT-UHFFFAOYSA-N 1 2 325.225 4.102 20 30 EIEDLO CC(C)[N@@H+](Cc1cc(Br)ccc1F)CC1(C#N)CC1 ZINC000538353248 1041286607 /nfs/dbraw/zinc/28/66/07/1041286607.db2.gz DYZIMMLEWLEAAT-UHFFFAOYSA-N 1 2 325.225 4.102 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000538823873 1041556779 /nfs/dbraw/zinc/55/67/79/1041556779.db2.gz KSZBWJKEGCVSJK-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000538823873 1041556786 /nfs/dbraw/zinc/55/67/86/1041556786.db2.gz KSZBWJKEGCVSJK-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425677156 1041590647 /nfs/dbraw/zinc/59/06/47/1041590647.db2.gz DZVNIEIZHNVSES-UHFFFAOYSA-N 1 2 338.455 4.220 20 30 EIEDLO C=C1CC[NH+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)CC1 ZINC000517469293 1042037959 /nfs/dbraw/zinc/03/79/59/1042037959.db2.gz OJOFWDBRDGWVBP-UHFFFAOYSA-N 1 2 327.428 4.068 20 30 EIEDLO CC(C)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000443621550 1042166144 /nfs/dbraw/zinc/16/61/44/1042166144.db2.gz GXIZBJBLVKJROC-UHFFFAOYSA-N 1 2 338.455 4.257 20 30 EIEDLO CC(C)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000443621550 1042166148 /nfs/dbraw/zinc/16/61/48/1042166148.db2.gz GXIZBJBLVKJROC-UHFFFAOYSA-N 1 2 338.455 4.257 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464817799 1042176908 /nfs/dbraw/zinc/17/69/08/1042176908.db2.gz IDCMGOCNOXYGJZ-LEWJYISDSA-N 1 2 348.446 4.040 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464817799 1042176911 /nfs/dbraw/zinc/17/69/11/1042176911.db2.gz IDCMGOCNOXYGJZ-LEWJYISDSA-N 1 2 348.446 4.040 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438473412 1042190755 /nfs/dbraw/zinc/19/07/55/1042190755.db2.gz DIWWASBBTVYUTC-OAQYLSRUSA-N 1 2 347.437 4.384 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438473412 1042190758 /nfs/dbraw/zinc/19/07/58/1042190758.db2.gz DIWWASBBTVYUTC-OAQYLSRUSA-N 1 2 347.437 4.384 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1OC(F)(F)F ZINC000506367537 1042358884 /nfs/dbraw/zinc/35/88/84/1042358884.db2.gz FNTDVYOIEWVYJV-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1OC(F)(F)F ZINC000506367537 1042358889 /nfs/dbraw/zinc/35/88/89/1042358889.db2.gz FNTDVYOIEWVYJV-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000518161016 1042378222 /nfs/dbraw/zinc/37/82/22/1042378222.db2.gz GTLQLBWDVROICU-LLVKDONJSA-N 1 2 346.780 4.338 20 30 EIEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nccs1 ZINC000437890522 1042536109 /nfs/dbraw/zinc/53/61/09/1042536109.db2.gz PLPBMPQAWBHHMH-INIZCTEOSA-N 1 2 337.395 4.031 20 30 EIEDLO C=CCOc1cccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000492112869 1042559355 /nfs/dbraw/zinc/55/93/55/1042559355.db2.gz XPNBNMGTSYCPCE-UHFFFAOYSA-N 1 2 340.345 4.283 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccccc1 ZINC000437895914 1042561397 /nfs/dbraw/zinc/56/13/97/1042561397.db2.gz MNJSLRCXGQCGOL-SCLBCKFNSA-N 1 2 328.362 4.353 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccccc1 ZINC000437895914 1042561401 /nfs/dbraw/zinc/56/14/01/1042561401.db2.gz MNJSLRCXGQCGOL-SCLBCKFNSA-N 1 2 328.362 4.353 20 30 EIEDLO C[C@H](Cc1cccc(F)c1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001168455232 1042875965 /nfs/dbraw/zinc/87/59/65/1042875965.db2.gz WIXXUFOUXBSLCP-MRVPVSSYSA-N 1 2 335.238 4.179 20 30 EIEDLO CCOc1ccc(/C=[NH+]/CCCc2nc3c(s2)CCCC3)c(O)c1 ZINC000727061274 1043095449 /nfs/dbraw/zinc/09/54/49/1043095449.db2.gz JHKBBDLNAHAUOH-DEDYPNTBSA-N 1 2 344.480 4.178 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2ccncc2)cs1 ZINC000347844003 1043189580 /nfs/dbraw/zinc/18/95/80/1043189580.db2.gz WDESUVNCZADTOM-GFCCVEGCSA-N 1 2 338.411 4.067 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000672552203 1043285993 /nfs/dbraw/zinc/28/59/93/1043285993.db2.gz PPGHRKNODWRRDT-MRVPVSSYSA-N 1 2 333.222 4.368 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000672552203 1043286000 /nfs/dbraw/zinc/28/60/00/1043286000.db2.gz PPGHRKNODWRRDT-MRVPVSSYSA-N 1 2 333.222 4.368 20 30 EIEDLO Fc1cc(Br)ccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147446 1043456997 /nfs/dbraw/zinc/45/69/97/1043456997.db2.gz ODOTZYDFKNPMFF-UHFFFAOYSA-N 1 2 344.187 4.004 20 30 EIEDLO CC(C)CCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000521196774 1043646658 /nfs/dbraw/zinc/64/66/58/1043646658.db2.gz ZLKZOKIGEXBTDR-UHFFFAOYSA-N 1 2 340.471 4.188 20 30 EIEDLO CC(C)CCc1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000521196774 1043646665 /nfs/dbraw/zinc/64/66/65/1043646665.db2.gz ZLKZOKIGEXBTDR-UHFFFAOYSA-N 1 2 340.471 4.188 20 30 EIEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000078839147 1043796596 /nfs/dbraw/zinc/79/65/96/1043796596.db2.gz LTPSSVCXNWIIIY-UHFFFAOYSA-N 1 2 334.345 4.276 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000066727131 1043797453 /nfs/dbraw/zinc/79/74/53/1043797453.db2.gz FHLGWRJKGWTBRZ-UHFFFAOYSA-N 1 2 347.418 4.139 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]/CCCO[C@H]2CCCc3ccccc32)c1 ZINC000733750153 1044301669 /nfs/dbraw/zinc/30/16/69/1044301669.db2.gz OGOZJYWHRURMLQ-FNNTWHHHSA-N 1 2 339.435 4.304 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001117392790 1044468179 /nfs/dbraw/zinc/46/81/79/1044468179.db2.gz XSSUOWBRCZQBCQ-MDZDMXLPSA-N 1 2 329.469 4.106 20 30 EIEDLO CCCCCCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000734144671 1044504201 /nfs/dbraw/zinc/50/42/01/1044504201.db2.gz VQUNUJNGLDGGCS-GOSISDBHSA-N 1 2 331.504 4.037 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766661 1044508915 /nfs/dbraw/zinc/50/89/15/1044508915.db2.gz TYUBVUWQMKSRIQ-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)c1 ZINC000761766661 1044508938 /nfs/dbraw/zinc/50/89/38/1044508938.db2.gz TYUBVUWQMKSRIQ-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000485246396 1044763862 /nfs/dbraw/zinc/76/38/62/1044763862.db2.gz BQYJUMWTLVJDIZ-KRWDZBQOSA-N 1 2 340.373 4.074 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000485246396 1044763877 /nfs/dbraw/zinc/76/38/77/1044763877.db2.gz BQYJUMWTLVJDIZ-KRWDZBQOSA-N 1 2 340.373 4.074 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000092755885 1044796366 /nfs/dbraw/zinc/79/63/66/1044796366.db2.gz YKQQPDLEAFDODK-SFHVURJKSA-N 1 2 336.464 4.326 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092755885 1044796384 /nfs/dbraw/zinc/79/63/84/1044796384.db2.gz YKQQPDLEAFDODK-SFHVURJKSA-N 1 2 336.464 4.326 20 30 EIEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000761866030 1044809277 /nfs/dbraw/zinc/80/92/77/1044809277.db2.gz PLMGNUROICPWRV-UHFFFAOYSA-N 1 2 335.436 4.464 20 30 EIEDLO C=C(C)CC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000509367353 1045044908 /nfs/dbraw/zinc/04/49/08/1045044908.db2.gz SHYXTVHCAZFHHF-UHFFFAOYSA-N 1 2 344.405 4.372 20 30 EIEDLO C=C(C)CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000509367353 1045044922 /nfs/dbraw/zinc/04/49/22/1045044922.db2.gz SHYXTVHCAZFHHF-UHFFFAOYSA-N 1 2 344.405 4.372 20 30 EIEDLO C=CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739930387 1045176392 /nfs/dbraw/zinc/17/63/92/1045176392.db2.gz LHPYYUJSWVMNIW-HNNXBMFYSA-N 1 2 341.480 4.151 20 30 EIEDLO C=CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739930387 1045176407 /nfs/dbraw/zinc/17/64/07/1045176407.db2.gz LHPYYUJSWVMNIW-HNNXBMFYSA-N 1 2 341.480 4.151 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740858009 1045229365 /nfs/dbraw/zinc/22/93/65/1045229365.db2.gz BXSFYPKXCLRMSE-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740858009 1045229372 /nfs/dbraw/zinc/22/93/72/1045229372.db2.gz BXSFYPKXCLRMSE-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740858011 1045230088 /nfs/dbraw/zinc/23/00/88/1045230088.db2.gz BXSFYPKXCLRMSE-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740858011 1045230095 /nfs/dbraw/zinc/23/00/95/1045230095.db2.gz BXSFYPKXCLRMSE-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO CN(C)c1cc(CSc2nc(-c3ccccc3)ccc2C#N)cc[nH+]1 ZINC000762477570 1045254338 /nfs/dbraw/zinc/25/43/38/1045254338.db2.gz AVQQVUXMIHWKFS-UHFFFAOYSA-N 1 2 346.459 4.374 20 30 EIEDLO CCCCn1c(SCC2(C#N)CCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000915471466 1045338319 /nfs/dbraw/zinc/33/83/19/1045338319.db2.gz KPKRARIJYBHGFO-OAHLLOKOSA-N 1 2 349.548 4.267 20 30 EIEDLO CCCCCCCCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000915680398 1045449115 /nfs/dbraw/zinc/44/91/15/1045449115.db2.gz HPFMAKWDEYOKAO-UHFFFAOYSA-N 1 2 331.504 4.261 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000743045289 1045766029 /nfs/dbraw/zinc/76/60/29/1045766029.db2.gz DIRYTSJQMJHPBA-UUMNEMFISA-N 1 2 339.435 4.296 20 30 EIEDLO FC(F)(F)c1ccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000915972714 1045847363 /nfs/dbraw/zinc/84/73/63/1045847363.db2.gz SQJFKNZNOMBTBF-UHFFFAOYSA-N 1 2 344.340 4.015 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792172608 1045872901 /nfs/dbraw/zinc/87/29/01/1045872901.db2.gz HBZUOUOKVYNEFA-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792172608 1045872906 /nfs/dbraw/zinc/87/29/06/1045872906.db2.gz HBZUOUOKVYNEFA-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO C=C1CC[NH+](Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000769337527 1045928691 /nfs/dbraw/zinc/92/86/91/1045928691.db2.gz FNJLLMARESZWGO-UHFFFAOYSA-N 1 2 333.838 4.184 20 30 EIEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC12CCC2 ZINC001168508960 1045952016 /nfs/dbraw/zinc/95/20/16/1045952016.db2.gz FTWYCYYAKZGHKS-ZDUSSCGKSA-N 1 2 333.273 4.333 20 30 EIEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC12CCC2 ZINC001168508960 1045952035 /nfs/dbraw/zinc/95/20/35/1045952035.db2.gz FTWYCYYAKZGHKS-ZDUSSCGKSA-N 1 2 333.273 4.333 20 30 EIEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1ccccc1 ZINC000916245804 1045967590 /nfs/dbraw/zinc/96/75/90/1045967590.db2.gz BLUMRMQNTWUEDD-UHFFFAOYSA-N 1 2 345.450 4.227 20 30 EIEDLO COc1ccc(F)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000508673312 1046064605 /nfs/dbraw/zinc/06/46/05/1046064605.db2.gz VSTXGWAPDGYSCF-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO COc1ccc(F)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000508673312 1046064622 /nfs/dbraw/zinc/06/46/22/1046064622.db2.gz VSTXGWAPDGYSCF-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO Fc1ccc(C(C[C@H]2CCOC2)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000792999179 1046123186 /nfs/dbraw/zinc/12/31/86/1046123186.db2.gz LNVZYQXOZGREQG-OAHLLOKOSA-N 1 2 349.409 4.039 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(OC(F)F)cc3)n2c1 ZINC000771843147 1046498205 /nfs/dbraw/zinc/49/82/05/1046498205.db2.gz BEUDYKFEQSJQIV-YVMONPNESA-N 1 2 328.318 4.140 20 30 EIEDLO FC(F)(F)c1ccccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917023268 1046566067 /nfs/dbraw/zinc/56/60/67/1046566067.db2.gz ONJSZCZHFDOKQW-UHFFFAOYSA-N 1 2 330.313 4.337 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000497489275 1046825650 /nfs/dbraw/zinc/82/56/50/1046825650.db2.gz NRBVLXLOAWYHTO-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)CC1(C#N)CC1)CCO2 ZINC000537250296 1047061912 /nfs/dbraw/zinc/06/19/12/1047061912.db2.gz DASZOKBOMXTZQW-HXUWFJFHSA-N 1 2 348.446 4.325 20 30 EIEDLO COc1ccc2c(c1)[C@H]([N@@H+](Cc1ccccc1)CC1(C#N)CC1)CCO2 ZINC000537250296 1047061924 /nfs/dbraw/zinc/06/19/24/1047061924.db2.gz DASZOKBOMXTZQW-HXUWFJFHSA-N 1 2 348.446 4.325 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000806082413 1047109396 /nfs/dbraw/zinc/10/93/96/1047109396.db2.gz YPLKWUQUHZCQNT-UHFFFAOYSA-N 1 2 332.492 4.215 20 30 EIEDLO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Br ZINC001137639280 1047518103 /nfs/dbraw/zinc/51/81/03/1047518103.db2.gz VWZFIZOGIWEBIP-UHFFFAOYSA-N 1 2 347.231 4.482 20 30 EIEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Br ZINC001137639280 1047518112 /nfs/dbraw/zinc/51/81/12/1047518112.db2.gz VWZFIZOGIWEBIP-UHFFFAOYSA-N 1 2 347.231 4.482 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182082 1047622452 /nfs/dbraw/zinc/62/24/52/1047622452.db2.gz PRNXIMHMBSQEBY-HXUWFJFHSA-N 1 2 349.478 4.027 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808182082 1047622466 /nfs/dbraw/zinc/62/24/66/1047622466.db2.gz PRNXIMHMBSQEBY-HXUWFJFHSA-N 1 2 349.478 4.027 20 30 EIEDLO Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(C)c[nH+]1 ZINC000537588631 1047802840 /nfs/dbraw/zinc/80/28/40/1047802840.db2.gz CKJLDCDVTXQLHO-UHFFFAOYSA-N 1 2 343.386 4.037 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000499047367 1048097354 /nfs/dbraw/zinc/09/73/54/1048097354.db2.gz CZDUTOAGXZYENG-AWEZNQCLSA-N 1 2 346.521 4.485 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000499047367 1048097373 /nfs/dbraw/zinc/09/73/73/1048097373.db2.gz CZDUTOAGXZYENG-AWEZNQCLSA-N 1 2 346.521 4.485 20 30 EIEDLO CC(=[NH+]Nc1cccc(C(F)(F)F)c1)c1cc(F)c(N)c(F)c1 ZINC000814689875 1048133213 /nfs/dbraw/zinc/13/32/13/1048133213.db2.gz JTZBMGQRURWNMA-UHFFFAOYSA-N 1 2 329.272 4.402 20 30 EIEDLO CC(=[NH+]Nc1ccnc2cc(Cl)ccc21)c1cc(N)ccc1F ZINC000814694014 1048134602 /nfs/dbraw/zinc/13/46/02/1048134602.db2.gz RHHDLFLVDIVNEM-UHFFFAOYSA-N 1 2 328.778 4.446 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704777 1048168318 /nfs/dbraw/zinc/16/83/18/1048168318.db2.gz UWPIJHOHJRPCOP-NSHDSACASA-N 1 2 332.753 4.364 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704777 1048168334 /nfs/dbraw/zinc/16/83/34/1048168334.db2.gz UWPIJHOHJRPCOP-NSHDSACASA-N 1 2 332.753 4.364 20 30 EIEDLO C[N@H+](Cc1sc2ccccc2c1Cl)Cc1ccc(C#N)cn1 ZINC001144163801 1048458610 /nfs/dbraw/zinc/45/86/10/1048458610.db2.gz WQYLQPVFSYJIKA-UHFFFAOYSA-N 1 2 327.840 4.453 20 30 EIEDLO C[N@@H+](Cc1sc2ccccc2c1Cl)Cc1ccc(C#N)cn1 ZINC001144163801 1048458620 /nfs/dbraw/zinc/45/86/20/1048458620.db2.gz WQYLQPVFSYJIKA-UHFFFAOYSA-N 1 2 327.840 4.453 20 30 EIEDLO Cc1nsc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)c1C#N ZINC001212613430 1048462783 /nfs/dbraw/zinc/46/27/83/1048462783.db2.gz TUOAQYSEOFGDIG-UHFFFAOYSA-N 1 2 327.457 4.231 20 30 EIEDLO C=CCc1cc(C)c[nH+]c1NCc1cc(Br)ccc1O ZINC001171174098 1048634216 /nfs/dbraw/zinc/63/42/16/1048634216.db2.gz HUQJQJVENOQZBS-UHFFFAOYSA-N 1 2 333.229 4.199 20 30 EIEDLO CC(C)CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171189419 1048685337 /nfs/dbraw/zinc/68/53/37/1048685337.db2.gz FYLWXOFPXGQSFM-QFBILLFUSA-N 1 2 344.499 4.225 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1F ZINC000816608324 1048842070 /nfs/dbraw/zinc/84/20/70/1048842070.db2.gz WEUSUNUKHJIHHK-OAHLLOKOSA-N 1 2 342.172 4.441 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N\Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000921138533 1048856799 /nfs/dbraw/zinc/85/67/99/1048856799.db2.gz QPBIPPJIUDWQMW-UCQKPKSFSA-N 1 2 327.387 4.350 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000135180916 1049082728 /nfs/dbraw/zinc/08/27/28/1049082728.db2.gz VEUZOCXWMDXBMO-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000135180916 1049082741 /nfs/dbraw/zinc/08/27/41/1049082741.db2.gz VEUZOCXWMDXBMO-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(Cl)cc1 ZINC000811516927 1049104282 /nfs/dbraw/zinc/10/42/82/1049104282.db2.gz YMNKCWUDVDUITJ-ACJLOTCBSA-N 1 2 341.838 4.136 20 30 EIEDLO N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618989 1049206984 /nfs/dbraw/zinc/20/69/84/1049206984.db2.gz WRUXPMMMOGZAAI-UHFFFAOYSA-N 1 2 338.370 4.125 20 30 EIEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170919495 1049243295 /nfs/dbraw/zinc/24/32/95/1049243295.db2.gz KVFSJLUWFGLQSD-KRWDZBQOSA-N 1 2 325.843 4.008 20 30 EIEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170919495 1049243313 /nfs/dbraw/zinc/24/33/13/1049243313.db2.gz KVFSJLUWFGLQSD-KRWDZBQOSA-N 1 2 325.843 4.008 20 30 EIEDLO C=CCOc1ccccc1[C@H](C)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC001171372211 1049535168 /nfs/dbraw/zinc/53/51/68/1049535168.db2.gz GRYXBNIMYNYYGI-ZDUSSCGKSA-N 1 2 339.439 4.409 20 30 EIEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001171373656 1049545265 /nfs/dbraw/zinc/54/52/65/1049545265.db2.gz UUZBMFSSMOKSBB-MRXNPFEDSA-N 1 2 334.423 4.064 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793201 1049589831 /nfs/dbraw/zinc/58/98/31/1049589831.db2.gz OMNVGBNSTCZZKG-KRWDZBQOSA-N 1 2 332.300 4.180 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C#N)CCCCC2)CC12CCC2 ZINC001171834394 1049811613 /nfs/dbraw/zinc/81/16/13/1049811613.db2.gz VYJUZQSUOGXCGK-MRXNPFEDSA-N 1 2 347.503 4.125 20 30 EIEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001171968710 1049822357 /nfs/dbraw/zinc/82/23/57/1049822357.db2.gz HXWJPUILEGNUQR-OAHLLOKOSA-N 1 2 347.384 4.447 20 30 EIEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001171968710 1049822359 /nfs/dbraw/zinc/82/23/59/1049822359.db2.gz HXWJPUILEGNUQR-OAHLLOKOSA-N 1 2 347.384 4.447 20 30 EIEDLO C=CC[C@@](C)([NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172571363 1049938867 /nfs/dbraw/zinc/93/88/67/1049938867.db2.gz NFQZPJKQEMCWIU-APPDUMDISA-N 1 2 345.817 4.037 20 30 EIEDLO C=CCCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000617416318 1049988719 /nfs/dbraw/zinc/98/87/19/1049988719.db2.gz KKIMSFACIINLHS-UHFFFAOYSA-N 1 2 337.467 4.188 20 30 EIEDLO N#Cc1cc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC001212698595 1050267111 /nfs/dbraw/zinc/26/71/11/1050267111.db2.gz XMMSZIPUFFRZGA-UHFFFAOYSA-N 1 2 326.762 4.339 20 30 EIEDLO Fc1ccccc1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618449636 1050386463 /nfs/dbraw/zinc/38/64/63/1050386463.db2.gz TYQDEOKLLIIVQR-GHMZBOCLSA-N 1 2 329.259 4.388 20 30 EIEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173787252 1050572112 /nfs/dbraw/zinc/57/21/12/1050572112.db2.gz PJIWVPWLHZNHAY-OUNSHVDWSA-N 1 2 328.456 4.310 20 30 EIEDLO COc1cc(CNc2ccc(Nc3ccccc3)c[nH+]2)ccc1C#N ZINC001179204630 1050649570 /nfs/dbraw/zinc/64/95/70/1050649570.db2.gz BRYJSYXDTFPGCP-UHFFFAOYSA-N 1 2 330.391 4.318 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2[nH]c3ccc(Cl)cc3[nH+]2)cc1 ZINC001179515760 1050705890 /nfs/dbraw/zinc/70/58/90/1050705890.db2.gz IFRYKGSJPBOVFO-UHFFFAOYSA-N 1 2 339.830 4.178 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(O)cc1Cl ZINC001179966952 1050851134 /nfs/dbraw/zinc/85/11/34/1050851134.db2.gz VJIGYVJNZBJSAX-UHFFFAOYSA-N 1 2 347.842 4.251 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(O)cc1Cl ZINC001179966952 1050851143 /nfs/dbraw/zinc/85/11/43/1050851143.db2.gz VJIGYVJNZBJSAX-UHFFFAOYSA-N 1 2 347.842 4.251 20 30 EIEDLO CC(C)(C)c1noc(N=C2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001174395092 1050912922 /nfs/dbraw/zinc/91/29/22/1050912922.db2.gz SGJCFZBIJAGERF-UHFFFAOYSA-N 1 2 336.439 4.045 20 30 EIEDLO CC(C)(C)c1noc(N=C2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001174395092 1050912931 /nfs/dbraw/zinc/91/29/31/1050912931.db2.gz SGJCFZBIJAGERF-UHFFFAOYSA-N 1 2 336.439 4.045 20 30 EIEDLO C=CCC1(S(=O)(=O)Nc2ccc([NH+](CCC)CCC)cc2)CC1 ZINC001190806714 1051281180 /nfs/dbraw/zinc/28/11/80/1051281180.db2.gz OWCIVSSMMIHSBM-UHFFFAOYSA-N 1 2 336.501 4.163 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC001175352356 1051545272 /nfs/dbraw/zinc/54/52/72/1051545272.db2.gz NSOVFBLPAFPEMX-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO N#CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCCC1 ZINC000156621292 1051550502 /nfs/dbraw/zinc/55/05/02/1051550502.db2.gz VNYASVFJUMDANI-UHFFFAOYSA-N 1 2 340.254 4.090 20 30 EIEDLO N#CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCCC1 ZINC000156621292 1051550519 /nfs/dbraw/zinc/55/05/19/1051550519.db2.gz VNYASVFJUMDANI-UHFFFAOYSA-N 1 2 340.254 4.090 20 30 EIEDLO CCCCCCCCCCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001191860560 1051559913 /nfs/dbraw/zinc/55/99/13/1051559913.db2.gz KFIXVEJINYZLFM-UHFFFAOYSA-N 1 2 336.524 4.183 20 30 EIEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1C(F)(F)F ZINC001175713101 1051736123 /nfs/dbraw/zinc/73/61/23/1051736123.db2.gz PSYHNDDUZMATBJ-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC001182929908 1051754762 /nfs/dbraw/zinc/75/47/62/1051754762.db2.gz OMKRRXJZTHLXAS-UHFFFAOYSA-N 1 2 341.333 4.177 20 30 EIEDLO CCc1c(C)nc2sc(C#N)c(Nc3c[nH+]ccc3OC)c2c1C ZINC001176120916 1051920815 /nfs/dbraw/zinc/92/08/15/1051920815.db2.gz AWSPHTMSOCZIHP-UHFFFAOYSA-N 1 2 338.436 4.494 20 30 EIEDLO C[C@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046542 1051946755 /nfs/dbraw/zinc/94/67/55/1051946755.db2.gz XVTXBCBKRQXTMF-VLIAUNLRSA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@H](C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046542 1051946766 /nfs/dbraw/zinc/94/67/66/1051946766.db2.gz XVTXBCBKRQXTMF-VLIAUNLRSA-N 1 2 342.389 4.013 20 30 EIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184453075 1051980982 /nfs/dbraw/zinc/98/09/82/1051980982.db2.gz CLMIRFLHXCSUBE-LBPRGKRZSA-N 1 2 329.469 4.172 20 30 EIEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1Br ZINC001193762007 1051995090 /nfs/dbraw/zinc/99/50/90/1051995090.db2.gz KKDPMPDGXYWSFA-UHFFFAOYSA-N 1 2 347.231 4.482 20 30 EIEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1Br ZINC001193762007 1051995105 /nfs/dbraw/zinc/99/51/05/1051995105.db2.gz KKDPMPDGXYWSFA-UHFFFAOYSA-N 1 2 347.231 4.482 20 30 EIEDLO C#CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176453012 1052075108 /nfs/dbraw/zinc/07/51/08/1052075108.db2.gz PKCKYZGLSDNECM-FQEVSTJZSA-N 1 2 338.382 4.247 20 30 EIEDLO C#CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176453012 1052075130 /nfs/dbraw/zinc/07/51/30/1052075130.db2.gz PKCKYZGLSDNECM-FQEVSTJZSA-N 1 2 338.382 4.247 20 30 EIEDLO CCC#C[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001194212683 1052106612 /nfs/dbraw/zinc/10/66/12/1052106612.db2.gz FEEAGNDUQGDJCC-ZDUSSCGKSA-N 1 2 344.808 4.283 20 30 EIEDLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001194457986 1052148828 /nfs/dbraw/zinc/14/88/28/1052148828.db2.gz QJVCGRBIZAJKIQ-LLVKDONJSA-N 1 2 342.805 4.420 20 30 EIEDLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001194457986 1052148832 /nfs/dbraw/zinc/14/88/32/1052148832.db2.gz QJVCGRBIZAJKIQ-LLVKDONJSA-N 1 2 342.805 4.420 20 30 EIEDLO C=CCCC[N@H+]1CCOc2c(Cl)cc(Br)cc2C1 ZINC001176818728 1052196072 /nfs/dbraw/zinc/19/60/72/1052196072.db2.gz CLRDIXAKERMXPX-UHFFFAOYSA-N 1 2 330.653 4.263 20 30 EIEDLO C=CCCC[N@@H+]1CCOc2c(Cl)cc(Br)cc2C1 ZINC001176818728 1052196074 /nfs/dbraw/zinc/19/60/74/1052196074.db2.gz CLRDIXAKERMXPX-UHFFFAOYSA-N 1 2 330.653 4.263 20 30 EIEDLO C=CC(C)(C)CCCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001177119404 1052227340 /nfs/dbraw/zinc/22/73/40/1052227340.db2.gz XKSHHHPGLQDLAH-UHFFFAOYSA-N 1 2 336.907 4.271 20 30 EIEDLO C=CC(C)(C)CCCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001177119404 1052227347 /nfs/dbraw/zinc/22/73/47/1052227347.db2.gz XKSHHHPGLQDLAH-UHFFFAOYSA-N 1 2 336.907 4.271 20 30 EIEDLO CCCCn1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC000131170491 1052542281 /nfs/dbraw/zinc/54/22/81/1052542281.db2.gz JCJMGOYTHBFQDY-UHFFFAOYSA-N 1 2 330.863 4.149 20 30 EIEDLO CCCCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC000131170491 1052542286 /nfs/dbraw/zinc/54/22/86/1052542286.db2.gz JCJMGOYTHBFQDY-UHFFFAOYSA-N 1 2 330.863 4.149 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184212000 1052995183 /nfs/dbraw/zinc/99/51/83/1052995183.db2.gz IXBZCRAKINTYIE-ZDUSSCGKSA-N 1 2 347.509 4.019 20 30 EIEDLO CCCCCCCCOC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001194752643 1053080826 /nfs/dbraw/zinc/08/08/26/1053080826.db2.gz NLVXGOIAKIBREW-UHFFFAOYSA-N 1 2 347.503 4.385 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cc2c(s1)CCC2 ZINC000764443829 1053105367 /nfs/dbraw/zinc/10/53/67/1053105367.db2.gz YKHVHSTUDTYHQS-WAYWQWQTSA-N 1 2 328.824 4.434 20 30 EIEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797570292 1053247918 /nfs/dbraw/zinc/24/79/18/1053247918.db2.gz FGQQWCOWCJOHOG-AWEZNQCLSA-N 1 2 335.517 4.129 20 30 EIEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797570292 1053247940 /nfs/dbraw/zinc/24/79/40/1053247940.db2.gz FGQQWCOWCJOHOG-AWEZNQCLSA-N 1 2 335.517 4.129 20 30 EIEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000764675722 1053269018 /nfs/dbraw/zinc/26/90/18/1053269018.db2.gz HRPJQGQIFSYCEB-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO Cc1ccc2cc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)oc2c1 ZINC000794711989 1053347298 /nfs/dbraw/zinc/34/72/98/1053347298.db2.gz HOIRGMXPUMUODR-SREVYHEPSA-N 1 2 326.421 4.155 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765054285 1053425798 /nfs/dbraw/zinc/42/57/98/1053425798.db2.gz DTOGTYWALGWDEY-KBPBESRZSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765054285 1053425809 /nfs/dbraw/zinc/42/58/09/1053425809.db2.gz DTOGTYWALGWDEY-KBPBESRZSA-N 1 2 348.541 4.406 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC(F)F)cc1 ZINC000866220283 1053653972 /nfs/dbraw/zinc/65/39/72/1053653972.db2.gz FLZWICWOZPECGB-RYUDHWBXSA-N 1 2 332.350 4.277 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC(F)F)cc1 ZINC000866220281 1053654587 /nfs/dbraw/zinc/65/45/87/1053654587.db2.gz FLZWICWOZPECGB-NEPJUHHUSA-N 1 2 332.350 4.277 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc(C#N)c1O ZINC000866285023 1053676279 /nfs/dbraw/zinc/67/62/79/1053676279.db2.gz WAMVKMBXWMXRFL-KBXCAEBGSA-N 1 2 334.419 4.361 20 30 EIEDLO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(C#N)c1O ZINC000866360338 1053703455 /nfs/dbraw/zinc/70/34/55/1053703455.db2.gz DRZZJXBRSNZNFG-YCRPNKLZSA-N 1 2 348.446 4.009 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775735741 1053726500 /nfs/dbraw/zinc/72/65/00/1053726500.db2.gz TVHDPMKPECIURF-FUHWJXTLSA-N 1 2 326.827 4.317 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775735741 1053726516 /nfs/dbraw/zinc/72/65/16/1053726516.db2.gz TVHDPMKPECIURF-FUHWJXTLSA-N 1 2 326.827 4.317 20 30 EIEDLO CCSc1ccccc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001196788942 1053755295 /nfs/dbraw/zinc/75/52/95/1053755295.db2.gz FMGIPRXNOGVZEV-HXUWFJFHSA-N 1 2 337.492 4.251 20 30 EIEDLO CCSc1ccccc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001196788942 1053755305 /nfs/dbraw/zinc/75/53/05/1053755305.db2.gz FMGIPRXNOGVZEV-HXUWFJFHSA-N 1 2 337.492 4.251 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775748338 1053800126 /nfs/dbraw/zinc/80/01/26/1053800126.db2.gz VMXHNMROBBUFLQ-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775748338 1053800129 /nfs/dbraw/zinc/80/01/29/1053800129.db2.gz VMXHNMROBBUFLQ-UHFFFAOYSA-N 1 2 342.801 4.346 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccco1 ZINC000866621047 1053810681 /nfs/dbraw/zinc/81/06/81/1053810681.db2.gz XRGKMIBPLFWVHH-SNVBAGLBSA-N 1 2 327.247 4.296 20 30 EIEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050864 1054362561 /nfs/dbraw/zinc/36/25/61/1054362561.db2.gz CZUMPWDELNJCSR-XJKSGUPXSA-N 1 2 327.359 4.430 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000858245280 1054447748 /nfs/dbraw/zinc/44/77/48/1054447748.db2.gz GDOLGDIJBDTQMC-DNVCBOLYSA-N 1 2 344.405 4.334 20 30 EIEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000347516353 1054489874 /nfs/dbraw/zinc/48/98/74/1054489874.db2.gz LBOIKXPCJOZARI-KRWDZBQOSA-N 1 2 341.480 4.172 20 30 EIEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C(C)C ZINC000347516353 1054489883 /nfs/dbraw/zinc/48/98/83/1054489883.db2.gz LBOIKXPCJOZARI-KRWDZBQOSA-N 1 2 341.480 4.172 20 30 EIEDLO CCSc1ccc(C[NH+]2CCC(C#N)CC2)c(Br)c1 ZINC000859104275 1054622963 /nfs/dbraw/zinc/62/29/63/1054622963.db2.gz ACVXZXVRABUTJH-UHFFFAOYSA-N 1 2 339.302 4.297 20 30 EIEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776184994 1054790598 /nfs/dbraw/zinc/79/05/98/1054790598.db2.gz CKQRGBWTFHEZLX-HNNXBMFYSA-N 1 2 330.815 4.016 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nc(C)cs1 ZINC000347612913 1054797307 /nfs/dbraw/zinc/79/73/07/1054797307.db2.gz IHPOEOGFJRCMKZ-CYBMUJFWSA-N 1 2 337.395 4.166 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C/C=C/C)C2)c1=S ZINC000863341164 1055186455 /nfs/dbraw/zinc/18/64/55/1055186455.db2.gz VRFOYBLVGJVUMP-UJAVWCLSSA-N 1 2 332.517 4.113 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C/C=C/C)C2)c1=S ZINC000863341164 1055186460 /nfs/dbraw/zinc/18/64/60/1055186460.db2.gz VRFOYBLVGJVUMP-UJAVWCLSSA-N 1 2 332.517 4.113 20 30 EIEDLO C=CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(Cl)s1 ZINC000506102319 1055958771 /nfs/dbraw/zinc/95/87/71/1055958771.db2.gz ZHUPNAFPNBNNTF-UHFFFAOYSA-N 1 2 349.809 4.349 20 30 EIEDLO C=CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(Cl)s1 ZINC000506102319 1055958782 /nfs/dbraw/zinc/95/87/82/1055958782.db2.gz ZHUPNAFPNBNNTF-UHFFFAOYSA-N 1 2 349.809 4.349 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Br)cc3)c[nH+]c12 ZINC000741464333 1058223293 /nfs/dbraw/zinc/22/32/93/1058223293.db2.gz OBRJKFVADMYMMZ-CMDGGOBGSA-N 1 2 341.208 4.301 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Br)cc3)c[nH+]c12 ZINC000741464334 1058223822 /nfs/dbraw/zinc/22/38/22/1058223822.db2.gz OBRJKFVADMYMMZ-HJWRWDBZSA-N 1 2 341.208 4.301 20 30 EIEDLO Cc1c(C(=O)/C=C/c2[nH]cc[nH+]2)cnn1-c1ccc(Cl)cc1Cl ZINC000743056101 1058856861 /nfs/dbraw/zinc/85/68/61/1058856861.db2.gz PKFMNRMJMGMHIS-SNAWJCMRSA-N 1 2 347.205 4.107 20 30 EIEDLO CCOc1ccc(/C=[NH+]\CCc2nc3ccccc3s2)c(O)c1 ZINC000743340550 1058921636 /nfs/dbraw/zinc/92/16/36/1058921636.db2.gz GSJPPEDJTRSFCG-UNOMPAQXSA-N 1 2 326.421 4.062 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1cc(-c2ccccc2)cn1 ZINC000745162401 1059764157 /nfs/dbraw/zinc/76/41/57/1059764157.db2.gz NGSSYNCWZOSOKA-UHFFFAOYSA-N 1 2 328.419 4.067 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1cc(-c2ccccc2)cn1 ZINC000745162401 1059764182 /nfs/dbraw/zinc/76/41/82/1059764182.db2.gz NGSSYNCWZOSOKA-UHFFFAOYSA-N 1 2 328.419 4.067 20 30 EIEDLO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CC)CC#N ZINC000054183557 214221499 /nfs/dbraw/zinc/22/14/99/214221499.db2.gz FQMUTBWLBXDJDB-AWEZNQCLSA-N 1 2 325.250 4.020 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000459375084 1032097352 /nfs/dbraw/zinc/09/73/52/1032097352.db2.gz UTBFAKUNVZUJLF-LJQANCHMSA-N 1 2 339.370 4.237 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000532818410 1032338038 /nfs/dbraw/zinc/33/80/38/1032338038.db2.gz QPCRAYCOWWDXNF-MRXNPFEDSA-N 1 2 333.435 4.063 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000532818410 1032338052 /nfs/dbraw/zinc/33/80/52/1032338052.db2.gz QPCRAYCOWWDXNF-MRXNPFEDSA-N 1 2 333.435 4.063 20 30 EIEDLO N#Cc1c(Cl)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450438793 1032498858 /nfs/dbraw/zinc/49/88/58/1032498858.db2.gz MUCZERXKKUFJKU-UHFFFAOYSA-N 1 2 328.847 4.105 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)c1ccc(F)c(F)c1 ZINC000187764572 1019775925 /nfs/dbraw/zinc/77/59/25/1019775925.db2.gz MRNCZQAJZIIVKI-QGZVFWFLSA-N 1 2 335.350 4.060 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187781624 1019789306 /nfs/dbraw/zinc/78/93/06/1019789306.db2.gz VLNXNTCUPXHLTI-RBUKOAKNSA-N 1 2 344.405 4.001 20 30 EIEDLO N#Cc1c[nH]c2cc[nH+]c(N(Cc3ccccn3)C3CCCCC3)c12 ZINC001167102794 1020096160 /nfs/dbraw/zinc/09/61/60/1020096160.db2.gz SSYZOSVFCJEUKC-UHFFFAOYSA-N 1 2 331.423 4.169 20 30 EIEDLO C#CC[N@H+](Cc1csc(Br)c1)Cc1ccc(F)cc1 ZINC001167273431 1020750045 /nfs/dbraw/zinc/75/00/45/1020750045.db2.gz GKGXLKDWBDDMBE-UHFFFAOYSA-N 1 2 338.245 4.285 20 30 EIEDLO C#CC[N@@H+](Cc1csc(Br)c1)Cc1ccc(F)cc1 ZINC001167273431 1020750060 /nfs/dbraw/zinc/75/00/60/1020750060.db2.gz GKGXLKDWBDDMBE-UHFFFAOYSA-N 1 2 338.245 4.285 20 30 EIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1OC(F)F ZINC001167273689 1020748981 /nfs/dbraw/zinc/74/89/81/1020748981.db2.gz PHOGSLSXCJQKKO-UHFFFAOYSA-N 1 2 337.316 4.202 20 30 EIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1OC(F)F ZINC001167273689 1020748988 /nfs/dbraw/zinc/74/89/88/1020748988.db2.gz PHOGSLSXCJQKKO-UHFFFAOYSA-N 1 2 337.316 4.202 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000177041284 1020950332 /nfs/dbraw/zinc/95/03/32/1020950332.db2.gz GFNDDEKPRPRLDF-FQEVSTJZSA-N 1 2 330.435 4.265 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000177041284 1020950336 /nfs/dbraw/zinc/95/03/36/1020950336.db2.gz GFNDDEKPRPRLDF-FQEVSTJZSA-N 1 2 330.435 4.265 20 30 EIEDLO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 ZINC000255106662 1020952862 /nfs/dbraw/zinc/95/28/62/1020952862.db2.gz PRLORSGAQGKFSK-WAPJZHGLSA-N 1 2 338.794 4.436 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582094510 1021919463 /nfs/dbraw/zinc/91/94/63/1021919463.db2.gz QBBIWVXQZMKFBL-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582094510 1021919482 /nfs/dbraw/zinc/91/94/82/1021919482.db2.gz QBBIWVXQZMKFBL-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(Br)ccc1F ZINC000255226317 1022444186 /nfs/dbraw/zinc/44/41/86/1022444186.db2.gz YGMCTOUXQFTDAY-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO N#Cc1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)ccc1N ZINC001213426913 1022681257 /nfs/dbraw/zinc/68/12/57/1022681257.db2.gz DUEIUHZZDRPLBW-UHFFFAOYSA-N 1 2 328.297 4.451 20 30 EIEDLO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(C(F)(F)F)c1 ZINC001143472681 1022694738 /nfs/dbraw/zinc/69/47/38/1022694738.db2.gz DNOWDJCYGGFBDS-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C(F)(F)F)c1 ZINC001143472681 1022694743 /nfs/dbraw/zinc/69/47/43/1022694743.db2.gz DNOWDJCYGGFBDS-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)o2)c1 ZINC000378504073 1022847269 /nfs/dbraw/zinc/84/72/69/1022847269.db2.gz BBWQOMZPXKDAGJ-HUUCEWRRSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)c1 ZINC000378504072 1022847606 /nfs/dbraw/zinc/84/76/06/1022847606.db2.gz BBWQOMZPXKDAGJ-GJZGRUSLSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1cc2c(s1)N(c1nccc(C#N)c1C)c1ccccc1NC2=[NH2+] ZINC001167456998 1023090128 /nfs/dbraw/zinc/09/01/28/1023090128.db2.gz PRBKALSKIKNDCF-UHFFFAOYSA-N 1 2 345.431 4.452 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000660198986 1023280594 /nfs/dbraw/zinc/28/05/94/1023280594.db2.gz BGXQXKISHZHNKQ-LBPRGKRZSA-N 1 2 327.375 4.354 20 30 EIEDLO Cc1cc2c(s1)N(c1ccnc(CC#N)c1)c1ccccc1NC2=[NH2+] ZINC001167469868 1023356628 /nfs/dbraw/zinc/35/66/28/1023356628.db2.gz ZJWKSQFVZPJRFO-UHFFFAOYSA-N 1 2 345.431 4.338 20 30 EIEDLO Cc1cc(N)nc(SCc2ccc(-c3ccccc3C#N)cc2)[nH+]1 ZINC000022416484 1023429052 /nfs/dbraw/zinc/42/90/52/1023429052.db2.gz LCRVRTYQTAONNI-UHFFFAOYSA-N 1 2 332.432 4.198 20 30 EIEDLO Fc1cc(C[NH+]2CC(CC(F)(F)F)C2)ccc1OCC(F)(F)F ZINC000656688341 1023441446 /nfs/dbraw/zinc/44/14/46/1023441446.db2.gz JGROVFJWTDRZIO-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO C=C(C)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000043940145 1024835857 /nfs/dbraw/zinc/83/58/57/1024835857.db2.gz YQBOKYWPWYODEX-MRXNPFEDSA-N 1 2 342.512 4.482 20 30 EIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccccc1 ZINC000487376177 1024846548 /nfs/dbraw/zinc/84/65/48/1024846548.db2.gz MIJWOHPTKVHQSO-UHFFFAOYSA-N 1 2 341.361 4.203 20 30 EIEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccccc1 ZINC000487376177 1024846551 /nfs/dbraw/zinc/84/65/51/1024846551.db2.gz MIJWOHPTKVHQSO-UHFFFAOYSA-N 1 2 341.361 4.203 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)c(F)c1 ZINC000610946894 1025152950 /nfs/dbraw/zinc/15/29/50/1025152950.db2.gz WRZYKCZSKOCIKA-HXUWFJFHSA-N 1 2 335.357 4.111 20 30 EIEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517174 1025899593 /nfs/dbraw/zinc/89/95/93/1025899593.db2.gz ODEPHKNITXHYJG-SCLBCKFNSA-N 1 2 339.395 4.341 20 30 EIEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517174 1025899595 /nfs/dbraw/zinc/89/95/95/1025899595.db2.gz ODEPHKNITXHYJG-SCLBCKFNSA-N 1 2 339.395 4.341 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C(F)(F)F)s1 ZINC000432427250 1025938027 /nfs/dbraw/zinc/93/80/27/1025938027.db2.gz XUZOUGBBYWQTMQ-UHFFFAOYSA-N 1 2 341.358 4.457 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccn1 ZINC000182086756 1026213015 /nfs/dbraw/zinc/21/30/15/1026213015.db2.gz IKJZCBUPURHURL-OPAMFIHVSA-N 1 2 343.430 4.402 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506860043 1026479416 /nfs/dbraw/zinc/47/94/16/1026479416.db2.gz YSEFQSIKZLSTPS-CQSZACIVSA-N 1 2 343.833 4.234 20 30 EIEDLO C=C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000638746799 1026516899 /nfs/dbraw/zinc/51/68/99/1026516899.db2.gz CJLUDSFETCLITK-LLVKDONJSA-N 1 2 335.860 4.145 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507176190 1026677638 /nfs/dbraw/zinc/67/76/38/1026677638.db2.gz CNGFFLJVNPYQPF-AWEZNQCLSA-N 1 2 343.833 4.234 20 30 EIEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507276797 1026726865 /nfs/dbraw/zinc/72/68/65/1026726865.db2.gz HJGZDUMJARZWJP-AWEZNQCLSA-N 1 2 343.833 4.234 20 30 EIEDLO Clc1ccccc1C#CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000135168065 1026895507 /nfs/dbraw/zinc/89/55/07/1026895507.db2.gz RZKZVWWVNSODPY-NRFANRHFSA-N 1 2 332.834 4.466 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(F)c1C#N)CCC2 ZINC000428371448 1027883970 /nfs/dbraw/zinc/88/39/70/1027883970.db2.gz FJVKJVYSILETBN-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(F)c1C#N)CCC2 ZINC000428371448 1027883974 /nfs/dbraw/zinc/88/39/74/1027883974.db2.gz FJVKJVYSILETBN-INIZCTEOSA-N 1 2 329.444 4.226 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000428313210 1028081471 /nfs/dbraw/zinc/08/14/71/1028081471.db2.gz QAHGGUPNTNTPLG-UHFFFAOYSA-N 1 2 345.215 4.239 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000428379243 1028108603 /nfs/dbraw/zinc/10/86/03/1028108603.db2.gz JFBOBSHPGPJIFP-UHFFFAOYSA-N 1 2 334.316 4.495 20 30 EIEDLO Cc1csc(C2([NH2+]CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CCC2)n1 ZINC000329760274 1028116814 /nfs/dbraw/zinc/11/68/14/1028116814.db2.gz PZKCEFFQKIDQHB-NWANDNLSSA-N 1 2 335.517 4.202 20 30 EIEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc2cccc(F)c2o1 ZINC000330006826 1028181733 /nfs/dbraw/zinc/18/17/33/1028181733.db2.gz DDOHMTMALKADJH-AAEUAGOBSA-N 1 2 327.359 4.049 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000330327241 1028457826 /nfs/dbraw/zinc/45/78/26/1028457826.db2.gz KUXXBDOZBQOCHQ-RDJZCZTQSA-N 1 2 333.476 4.203 20 30 EIEDLO C[C@H](CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC000330341031 1028601986 /nfs/dbraw/zinc/60/19/86/1028601986.db2.gz YSJUYZIDYCWGHE-KYJSFNMBSA-N 1 2 333.476 4.203 20 30 EIEDLO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000522833841 1028983353 /nfs/dbraw/zinc/98/33/53/1028983353.db2.gz ODEUYRWQOUQDHW-KUHUBIRLSA-N 1 2 326.440 4.376 20 30 EIEDLO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000522833841 1028983378 /nfs/dbraw/zinc/98/33/78/1028983378.db2.gz ODEUYRWQOUQDHW-KUHUBIRLSA-N 1 2 326.440 4.376 20 30 EIEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1CCC[C@H]1C#N ZINC000329426804 1029159887 /nfs/dbraw/zinc/15/98/87/1029159887.db2.gz JAYHUEJWXNMFPE-QFBILLFUSA-N 1 2 340.471 4.394 20 30 EIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000583997252 1029478407 /nfs/dbraw/zinc/47/84/07/1029478407.db2.gz ADVSSCJQTXSMSQ-MRXNPFEDSA-N 1 2 327.409 4.111 20 30 EIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000583997252 1029478410 /nfs/dbraw/zinc/47/84/10/1029478410.db2.gz ADVSSCJQTXSMSQ-MRXNPFEDSA-N 1 2 327.409 4.111 20 30 EIEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCCCC12CCCC2 ZINC000329625121 1029536398 /nfs/dbraw/zinc/53/63/98/1029536398.db2.gz OLPAMWOTQVVILM-ROUUACIJSA-N 1 2 344.503 4.073 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121681274 1029561489 /nfs/dbraw/zinc/56/14/89/1029561489.db2.gz OKCPFHMVACGCSG-FQEVSTJZSA-N 1 2 348.425 4.404 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121681274 1029561501 /nfs/dbraw/zinc/56/15/01/1029561501.db2.gz OKCPFHMVACGCSG-FQEVSTJZSA-N 1 2 348.425 4.404 20 30 EIEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000282021032 1029580943 /nfs/dbraw/zinc/58/09/43/1029580943.db2.gz SEDYTCUXTPFDNX-MRXNPFEDSA-N 1 2 336.439 4.078 20 30 EIEDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1C#N ZINC000428464859 1029670818 /nfs/dbraw/zinc/67/08/18/1029670818.db2.gz YHFCUSXBLKBHLF-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1C#N ZINC000428464859 1029670823 /nfs/dbraw/zinc/67/08/23/1029670823.db2.gz YHFCUSXBLKBHLF-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000184081532 1030048313 /nfs/dbraw/zinc/04/83/13/1030048313.db2.gz BVJPSFJWPUKCHR-QGZVFWFLSA-N 1 2 329.831 4.096 20 30 EIEDLO CCC(C#N)(CC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000527978517 1030989377 /nfs/dbraw/zinc/98/93/77/1030989377.db2.gz IKMFSNJGLXIPSO-UHFFFAOYSA-N 1 2 336.439 4.155 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449050053 1031402178 /nfs/dbraw/zinc/40/21/78/1031402178.db2.gz SUKLCDJQZHLUHU-NHCUHLMSSA-N 1 2 334.467 4.270 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449050053 1031402186 /nfs/dbraw/zinc/40/21/86/1031402186.db2.gz SUKLCDJQZHLUHU-NHCUHLMSSA-N 1 2 334.467 4.270 20 30 EIEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCCC(C)C ZINC000612406133 1031488218 /nfs/dbraw/zinc/48/82/18/1031488218.db2.gz IWYPUKYBYFCUFK-HXUWFJFHSA-N 1 2 330.472 4.246 20 30 EIEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCCC(C)C ZINC000612406133 1031488225 /nfs/dbraw/zinc/48/82/25/1031488225.db2.gz IWYPUKYBYFCUFK-HXUWFJFHSA-N 1 2 330.472 4.246 20 30 EIEDLO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2cccnc2)ccc1F ZINC000612409600 1031493657 /nfs/dbraw/zinc/49/36/57/1031493657.db2.gz GOVAYJFXRAWGMB-OAQYLSRUSA-N 1 2 349.384 4.419 20 30 EIEDLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254467 1031568880 /nfs/dbraw/zinc/56/88/80/1031568880.db2.gz XQRXDIKBZOQHPI-IDYZSHNDSA-N 1 2 342.483 4.001 20 30 EIEDLO Cc1nc([C@@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000449245833 1031581062 /nfs/dbraw/zinc/58/10/62/1031581062.db2.gz CDQCALYIMVHBBE-PQUAAJSLSA-N 1 2 344.846 4.183 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000459363307 1031942516 /nfs/dbraw/zinc/94/25/16/1031942516.db2.gz ZCCYBVZPLAHEKM-LJQANCHMSA-N 1 2 333.391 4.118 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000459363307 1031942531 /nfs/dbraw/zinc/94/25/31/1031942531.db2.gz ZCCYBVZPLAHEKM-LJQANCHMSA-N 1 2 333.391 4.118 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000614171342 1033582647 /nfs/dbraw/zinc/58/26/47/1033582647.db2.gz QRRFNUCSEKGAAP-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000614171342 1033582656 /nfs/dbraw/zinc/58/26/56/1033582656.db2.gz QRRFNUCSEKGAAP-UHFFFAOYSA-N 1 2 326.390 4.324 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000614185529 1033646050 /nfs/dbraw/zinc/64/60/50/1033646050.db2.gz YBJFMFTZUCBFOQ-ZDUSSCGKSA-N 1 2 326.444 4.019 20 30 EIEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000411484741 1033937725 /nfs/dbraw/zinc/93/77/25/1033937725.db2.gz HPNRITLVZODLPA-INIZCTEOSA-N 1 2 337.423 4.045 20 30 EIEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000411484741 1033937736 /nfs/dbraw/zinc/93/77/36/1033937736.db2.gz HPNRITLVZODLPA-INIZCTEOSA-N 1 2 337.423 4.045 20 30 EIEDLO Cc1cnc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)s1 ZINC000433161366 1033953877 /nfs/dbraw/zinc/95/38/77/1033953877.db2.gz QWXGMEQBTVUKPD-UHFFFAOYSA-N 1 2 331.872 4.356 20 30 EIEDLO CC[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@H](C)C#N ZINC000509799690 1033994690 /nfs/dbraw/zinc/99/46/90/1033994690.db2.gz SQHMPNOWQVKYDQ-LLVKDONJSA-N 1 2 325.239 4.251 20 30 EIEDLO CC[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@H](C)C#N ZINC000509799690 1033994698 /nfs/dbraw/zinc/99/46/98/1033994698.db2.gz SQHMPNOWQVKYDQ-LLVKDONJSA-N 1 2 325.239 4.251 20 30 EIEDLO C=CCOc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000430036997 1035418689 /nfs/dbraw/zinc/41/86/89/1035418689.db2.gz QWGQEAQAOSXRQF-UHFFFAOYSA-N 1 2 325.305 4.098 20 30 EIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619441 1035738749 /nfs/dbraw/zinc/73/87/49/1035738749.db2.gz BEKTVWRWGAXSQV-OLZOCXBDSA-N 1 2 330.432 4.031 20 30 EIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619441 1035738770 /nfs/dbraw/zinc/73/87/70/1035738770.db2.gz BEKTVWRWGAXSQV-OLZOCXBDSA-N 1 2 330.432 4.031 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)c1ccccn1 ZINC000183359608 1035740014 /nfs/dbraw/zinc/74/00/14/1035740014.db2.gz OVDMCEXHKMZSJV-VLIAUNLRSA-N 1 2 349.459 4.464 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122900 1035792907 /nfs/dbraw/zinc/79/29/07/1035792907.db2.gz BBQUCPAHZAXXOH-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122900 1035792928 /nfs/dbraw/zinc/79/29/28/1035792928.db2.gz BBQUCPAHZAXXOH-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO CC1(C)C[C@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000595910846 1035804736 /nfs/dbraw/zinc/80/47/36/1035804736.db2.gz SWNYVJZAKJCZHL-NRFANRHFSA-N 1 2 344.418 4.023 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000060464625 1036118304 /nfs/dbraw/zinc/11/83/04/1036118304.db2.gz VFLXTOZIULYSSM-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000597228161 1036161175 /nfs/dbraw/zinc/16/11/75/1036161175.db2.gz AKTYYJCDUJCITF-IBGZPJMESA-N 1 2 342.464 4.071 20 30 EIEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000597228161 1036161196 /nfs/dbraw/zinc/16/11/96/1036161196.db2.gz AKTYYJCDUJCITF-IBGZPJMESA-N 1 2 342.464 4.071 20 30 EIEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835317 1036638803 /nfs/dbraw/zinc/63/88/03/1036638803.db2.gz ALMQQGVHZDOHBC-XJKSGUPXSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000602835317 1036638818 /nfs/dbraw/zinc/63/88/18/1036638818.db2.gz ALMQQGVHZDOHBC-XJKSGUPXSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602840854 1036649570 /nfs/dbraw/zinc/64/95/70/1036649570.db2.gz ORKBUOULGIYOPN-CZUORRHYSA-N 1 2 338.373 4.161 20 30 EIEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CC1(CC#N)CC1 ZINC000602840854 1036649578 /nfs/dbraw/zinc/64/95/78/1036649578.db2.gz ORKBUOULGIYOPN-CZUORRHYSA-N 1 2 338.373 4.161 20 30 EIEDLO N#Cc1csc(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)n1 ZINC000589311512 1036743728 /nfs/dbraw/zinc/74/37/28/1036743728.db2.gz LMNZNZVRSXWHNA-UHFFFAOYSA-N 1 2 339.395 4.236 20 30 EIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272599367 1037240062 /nfs/dbraw/zinc/24/00/62/1037240062.db2.gz QSCPXJDEOJGVLM-HZPDHXFCSA-N 1 2 327.472 4.153 20 30 EIEDLO COc1cc(C)[nH+]c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000573102990 1037347703 /nfs/dbraw/zinc/34/77/03/1037347703.db2.gz SZSMHHLLRHIXCC-UHFFFAOYSA-N 1 2 346.390 4.070 20 30 EIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000488242237 1037450419 /nfs/dbraw/zinc/45/04/19/1037450419.db2.gz OQZMEWDSWZPPPA-QGZVFWFLSA-N 1 2 333.435 4.288 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccccc1C#N ZINC000175020532 1037452444 /nfs/dbraw/zinc/45/24/44/1037452444.db2.gz WRPGDGQMSAGAKR-VXGBXAGGSA-N 1 2 345.805 4.029 20 30 EIEDLO N#Cc1cnccc1C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000592084779 1037733329 /nfs/dbraw/zinc/73/33/29/1037733329.db2.gz UGTZMGPTIGIAQH-UHFFFAOYSA-N 1 2 343.883 4.363 20 30 EIEDLO Cc1ccc2[nH+]c(CSc3nc(C(F)(F)F)ccc3C#N)cn2c1 ZINC000488738460 1037735197 /nfs/dbraw/zinc/73/51/97/1037735197.db2.gz TWLICZJQPDYSRA-UHFFFAOYSA-N 1 2 348.353 4.221 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592183029 1037771103 /nfs/dbraw/zinc/77/11/03/1037771103.db2.gz HQHRVQHOBZHNAG-UHFFFAOYSA-N 1 2 341.798 4.289 20 30 EIEDLO C=CCCc1ccccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000669727722 1037870671 /nfs/dbraw/zinc/87/06/71/1037870671.db2.gz FUYXKXCMSJCGME-UHFFFAOYSA-N 1 2 348.450 4.126 20 30 EIEDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C#N ZINC000489551636 1038105566 /nfs/dbraw/zinc/10/55/66/1038105566.db2.gz UOJMZFHRPDJDBD-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C#N ZINC000489551636 1038105577 /nfs/dbraw/zinc/10/55/77/1038105577.db2.gz UOJMZFHRPDJDBD-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cc1C ZINC000489577263 1038124861 /nfs/dbraw/zinc/12/48/61/1038124861.db2.gz LNRJFJFELHSMHK-UHFFFAOYSA-N 1 2 338.426 4.358 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000490080874 1038333952 /nfs/dbraw/zinc/33/39/52/1038333952.db2.gz QQGKACGVBSFYKQ-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000490080874 1038333968 /nfs/dbraw/zinc/33/39/68/1038333968.db2.gz QQGKACGVBSFYKQ-GOSISDBHSA-N 1 2 332.806 4.170 20 30 EIEDLO C=C(C)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000058165633 1039042245 /nfs/dbraw/zinc/04/22/45/1039042245.db2.gz HTBBAIVHNWXWJK-GFCCVEGCSA-N 1 2 336.892 4.212 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCCCCC1 ZINC000552389797 1039445534 /nfs/dbraw/zinc/44/55/34/1039445534.db2.gz VTVQXMLHHNKGPR-CQSZACIVSA-N 1 2 340.920 4.181 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCCCCC1 ZINC000552389797 1039445567 /nfs/dbraw/zinc/44/55/67/1039445567.db2.gz VTVQXMLHHNKGPR-CQSZACIVSA-N 1 2 340.920 4.181 20 30 EIEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550940056 1039833445 /nfs/dbraw/zinc/83/34/45/1039833445.db2.gz VOHAAEWTTRZSCR-NXHRZFHOSA-N 1 2 339.426 4.351 20 30 EIEDLO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000425276131 1040057127 /nfs/dbraw/zinc/05/71/27/1040057127.db2.gz VBUOLHIATFZJJG-VHSXEESVSA-N 1 2 334.192 4.241 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000514827719 1040259994 /nfs/dbraw/zinc/25/99/94/1040259994.db2.gz AWXLGSHAZTYZAR-OAQYLSRUSA-N 1 2 349.409 4.060 20 30 EIEDLO C=C(C)[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000553500265 1040275394 /nfs/dbraw/zinc/27/53/94/1040275394.db2.gz QDTDCCCMLCVFMY-GOSISDBHSA-N 1 2 330.382 4.084 20 30 EIEDLO C=C(C)[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000553500265 1040275410 /nfs/dbraw/zinc/27/54/10/1040275410.db2.gz QDTDCCCMLCVFMY-GOSISDBHSA-N 1 2 330.382 4.084 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000551689551 1040503934 /nfs/dbraw/zinc/50/39/34/1040503934.db2.gz VEWDSPNPMFTWSD-CQSZACIVSA-N 1 2 340.920 4.037 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000551689551 1040503951 /nfs/dbraw/zinc/50/39/51/1040503951.db2.gz VEWDSPNPMFTWSD-CQSZACIVSA-N 1 2 340.920 4.037 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000553892295 1040607317 /nfs/dbraw/zinc/60/73/17/1040607317.db2.gz MEMGECBXHVNBTQ-LBPRGKRZSA-N 1 2 328.909 4.083 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000553892295 1040607320 /nfs/dbraw/zinc/60/73/20/1040607320.db2.gz MEMGECBXHVNBTQ-LBPRGKRZSA-N 1 2 328.909 4.083 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000539836814 1040830991 /nfs/dbraw/zinc/83/09/91/1040830991.db2.gz HQZPXYVAMSZPEG-BEFAXECRSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000539836814 1040830996 /nfs/dbraw/zinc/83/09/96/1040830996.db2.gz HQZPXYVAMSZPEG-BEFAXECRSA-N 1 2 326.465 4.199 20 30 EIEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000516087026 1041386294 /nfs/dbraw/zinc/38/62/94/1041386294.db2.gz ZEFCBMLZASFODH-MRXNPFEDSA-N 1 2 337.423 4.008 20 30 EIEDLO C[C@@H](C#N)C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 ZINC000538763965 1041537016 /nfs/dbraw/zinc/53/70/16/1041537016.db2.gz FHWBADSOIAODNM-NSHDSACASA-N 1 2 337.250 4.393 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 ZINC000538763965 1041537021 /nfs/dbraw/zinc/53/70/21/1041537021.db2.gz FHWBADSOIAODNM-NSHDSACASA-N 1 2 337.250 4.393 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)cc1OC(F)F ZINC000437907928 1041967214 /nfs/dbraw/zinc/96/72/14/1041967214.db2.gz HUOSPTFJCZLWDM-UHFFFAOYSA-N 1 2 335.398 4.312 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1OC(F)F ZINC000437907928 1041967229 /nfs/dbraw/zinc/96/72/29/1041967229.db2.gz HUOSPTFJCZLWDM-UHFFFAOYSA-N 1 2 335.398 4.312 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464817802 1042176787 /nfs/dbraw/zinc/17/67/87/1042176787.db2.gz IDCMGOCNOXYGJZ-SFTDATJTSA-N 1 2 348.446 4.040 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464817802 1042176793 /nfs/dbraw/zinc/17/67/93/1042176793.db2.gz IDCMGOCNOXYGJZ-SFTDATJTSA-N 1 2 348.446 4.040 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817801 1042176996 /nfs/dbraw/zinc/17/69/96/1042176996.db2.gz IDCMGOCNOXYGJZ-RTWAWAEBSA-N 1 2 348.446 4.040 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817801 1042177000 /nfs/dbraw/zinc/17/70/00/1042177000.db2.gz IDCMGOCNOXYGJZ-RTWAWAEBSA-N 1 2 348.446 4.040 20 30 EIEDLO C[C@H]1CCc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)sc2C1 ZINC000506547151 1042587582 /nfs/dbraw/zinc/58/75/82/1042587582.db2.gz PELUZYGEDLWSDC-AWEZNQCLSA-N 1 2 337.492 4.304 20 30 EIEDLO C[C@H]1CCc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)sc2C1 ZINC000506547151 1042587594 /nfs/dbraw/zinc/58/75/94/1042587594.db2.gz PELUZYGEDLWSDC-AWEZNQCLSA-N 1 2 337.492 4.304 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cc1 ZINC000439477980 1042655596 /nfs/dbraw/zinc/65/55/96/1042655596.db2.gz WNKKZAPWSSAFAB-UHFFFAOYSA-N 1 2 333.410 4.321 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cc1 ZINC000439477980 1042655604 /nfs/dbraw/zinc/65/56/04/1042655604.db2.gz WNKKZAPWSSAFAB-UHFFFAOYSA-N 1 2 333.410 4.321 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178526433 1042869020 /nfs/dbraw/zinc/86/90/20/1042869020.db2.gz KGHFHLZDLZZHIL-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178526433 1042869021 /nfs/dbraw/zinc/86/90/21/1042869021.db2.gz KGHFHLZDLZZHIL-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO Fc1ccc(CN[NH+]=Cc2ccc(N3CCCCC3)s2)c(F)c1 ZINC000727060220 1043126376 /nfs/dbraw/zinc/12/63/76/1043126376.db2.gz JMWRVVKDLIOQKP-UHFFFAOYSA-N 1 2 335.423 4.140 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)cc1 ZINC000543545253 1043289755 /nfs/dbraw/zinc/28/97/55/1043289755.db2.gz JKESWQZYJGDWNJ-HNNXBMFYSA-N 1 2 346.434 4.216 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccccc2F)n1)Cc1cccc(C#N)c1 ZINC000077361200 1043294885 /nfs/dbraw/zinc/29/48/85/1043294885.db2.gz OHHBQQCAINFVLW-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccccc2F)n1)Cc1cccc(C#N)c1 ZINC000077361200 1043294893 /nfs/dbraw/zinc/29/48/93/1043294893.db2.gz OHHBQQCAINFVLW-UHFFFAOYSA-N 1 2 337.423 4.453 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727822923 1043316531 /nfs/dbraw/zinc/31/65/31/1043316531.db2.gz FKQGVZGFSAWPPE-CQSZACIVSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727822923 1043316533 /nfs/dbraw/zinc/31/65/33/1043316533.db2.gz FKQGVZGFSAWPPE-CQSZACIVSA-N 1 2 346.475 4.238 20 30 EIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429206920 1043330252 /nfs/dbraw/zinc/33/02/52/1043330252.db2.gz ONLIPDVAABSVGK-UHFFFAOYSA-N 1 2 329.806 4.125 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1 ZINC000019540416 1043499989 /nfs/dbraw/zinc/49/99/89/1043499989.db2.gz JCHOGDRZWPYXHJ-UHFFFAOYSA-N 1 2 338.835 4.167 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1 ZINC000019540416 1043500002 /nfs/dbraw/zinc/50/00/02/1043500002.db2.gz JCHOGDRZWPYXHJ-UHFFFAOYSA-N 1 2 338.835 4.167 20 30 EIEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000494704923 1043883770 /nfs/dbraw/zinc/88/37/70/1043883770.db2.gz XHASLYPXWJLFEZ-GOSISDBHSA-N 1 2 344.842 4.146 20 30 EIEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000494704923 1043883774 /nfs/dbraw/zinc/88/37/74/1043883774.db2.gz XHASLYPXWJLFEZ-GOSISDBHSA-N 1 2 344.842 4.146 20 30 EIEDLO N#CCC1CC[NH+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC001141697229 1044024319 /nfs/dbraw/zinc/02/43/19/1044024319.db2.gz XQXGQJSKIYSSCN-UHFFFAOYSA-N 1 2 345.643 4.367 20 30 EIEDLO Fc1ccc(C(F)(F)F)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000733204781 1044127784 /nfs/dbraw/zinc/12/77/84/1044127784.db2.gz ZCAACTHRUKGQLR-UHFFFAOYSA-N 1 2 333.288 4.261 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000499724441 1044373560 /nfs/dbraw/zinc/37/35/60/1044373560.db2.gz JBWXYYLMOYIMTD-IBGZPJMESA-N 1 2 342.508 4.346 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000499724441 1044373577 /nfs/dbraw/zinc/37/35/77/1044373577.db2.gz JBWXYYLMOYIMTD-IBGZPJMESA-N 1 2 342.508 4.346 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914568467 1044508122 /nfs/dbraw/zinc/50/81/22/1044508122.db2.gz KMURAVVNPPOSRY-CYBMUJFWSA-N 1 2 334.489 4.184 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914568467 1044508136 /nfs/dbraw/zinc/50/81/36/1044508136.db2.gz KMURAVVNPPOSRY-CYBMUJFWSA-N 1 2 334.489 4.184 20 30 EIEDLO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000494936996 1044535086 /nfs/dbraw/zinc/53/50/86/1044535086.db2.gz KJLITRNUCVZAJA-QUCCMNQESA-N 1 2 338.426 4.496 20 30 EIEDLO CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000494936996 1044535102 /nfs/dbraw/zinc/53/51/02/1044535102.db2.gz KJLITRNUCVZAJA-QUCCMNQESA-N 1 2 338.426 4.496 20 30 EIEDLO C=CC[N@H+](Cc1scnc1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000494981775 1044566351 /nfs/dbraw/zinc/56/63/51/1044566351.db2.gz UIHNDEJIVYGHRG-UHFFFAOYSA-N 1 2 329.425 4.117 20 30 EIEDLO C=CC[N@@H+](Cc1scnc1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000494981775 1044566370 /nfs/dbraw/zinc/56/63/70/1044566370.db2.gz UIHNDEJIVYGHRG-UHFFFAOYSA-N 1 2 329.425 4.117 20 30 EIEDLO CC(C)COC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000543485560 1044698168 /nfs/dbraw/zinc/69/81/68/1044698168.db2.gz LQEJQAOGNARBOF-GOSISDBHSA-N 1 2 331.843 4.288 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738055024 1045037197 /nfs/dbraw/zinc/03/71/97/1045037197.db2.gz SHJFOZKMHDNSBX-UHFFFAOYSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738055024 1045037202 /nfs/dbraw/zinc/03/72/02/1045037202.db2.gz SHJFOZKMHDNSBX-UHFFFAOYSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738224500 1045044031 /nfs/dbraw/zinc/04/40/31/1045044031.db2.gz NNMUKTDOKFOYJL-CQSZACIVSA-N 1 2 332.473 4.082 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738224500 1045044047 /nfs/dbraw/zinc/04/40/47/1045044047.db2.gz NNMUKTDOKFOYJL-CQSZACIVSA-N 1 2 332.473 4.082 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209504 1045187265 /nfs/dbraw/zinc/18/72/65/1045187265.db2.gz YXQZXEABULGODL-MRXNPFEDSA-N 1 2 344.528 4.125 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209504 1045187269 /nfs/dbraw/zinc/18/72/69/1045187269.db2.gz YXQZXEABULGODL-MRXNPFEDSA-N 1 2 344.528 4.125 20 30 EIEDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C#N)c1 ZINC000611387673 1045295304 /nfs/dbraw/zinc/29/53/04/1045295304.db2.gz DOXSEGZUEFTQJU-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611386569 1045295366 /nfs/dbraw/zinc/29/53/66/1045295366.db2.gz NRWJJWUVGWHQNW-AWEZNQCLSA-N 1 2 333.391 4.073 20 30 EIEDLO C#CC[N@@H+](Cc1ccco1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769402978 1045952898 /nfs/dbraw/zinc/95/28/98/1045952898.db2.gz BENFVRLNZGFKMN-MRXNPFEDSA-N 1 2 346.224 4.001 20 30 EIEDLO C#CC[N@H+](Cc1ccco1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769402978 1045952878 /nfs/dbraw/zinc/95/28/78/1045952878.db2.gz BENFVRLNZGFKMN-MRXNPFEDSA-N 1 2 346.224 4.001 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1sccc1Br ZINC000769606029 1046030174 /nfs/dbraw/zinc/03/01/74/1046030174.db2.gz AGXDEUZYDBOKQV-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO O=C1c2cc(Cl)cc(Cl)c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000769605999 1046031317 /nfs/dbraw/zinc/03/13/17/1046031317.db2.gz AAJFMEQYPRNIKK-POHAHGRESA-N 1 2 345.185 4.300 20 30 EIEDLO Cc1cc(Cl)cc2c1OCC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769613791 1046034217 /nfs/dbraw/zinc/03/42/17/1046034217.db2.gz DQAKRMPGABZYCH-RAXLEYEMSA-N 1 2 338.794 4.345 20 30 EIEDLO C[C@]12CC[N@H+](CC#Cc3ccccc3Cl)C[C@H]1C2(Cl)Cl ZINC000792903055 1046098291 /nfs/dbraw/zinc/09/82/91/1046098291.db2.gz JQNLGWKAMALQME-CABCVRRESA-N 1 2 328.670 4.207 20 30 EIEDLO C[C@]12CC[N@@H+](CC#Cc3ccccc3Cl)C[C@H]1C2(Cl)Cl ZINC000792903055 1046098302 /nfs/dbraw/zinc/09/83/02/1046098302.db2.gz JQNLGWKAMALQME-CABCVRRESA-N 1 2 328.670 4.207 20 30 EIEDLO CC[C@@H]1C[C@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440860 1046668173 /nfs/dbraw/zinc/66/81/73/1046668173.db2.gz ANMZGVGBEZFMLN-OXQOHEQNSA-N 1 2 335.407 4.190 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000917454227 1046894297 /nfs/dbraw/zinc/89/42/97/1046894297.db2.gz KPBKXYINGIFNKN-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000917454227 1046894299 /nfs/dbraw/zinc/89/42/99/1046894299.db2.gz KPBKXYINGIFNKN-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO N#CCCCCCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000805999121 1047085003 /nfs/dbraw/zinc/08/50/03/1047085003.db2.gz WRZAFDDYBFZRER-UHFFFAOYSA-N 1 2 337.423 4.266 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000807593024 1047477194 /nfs/dbraw/zinc/47/71/94/1047477194.db2.gz XLQBMSJXBJIFBU-QGZVFWFLSA-N 1 2 332.492 4.215 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000807592820 1047478475 /nfs/dbraw/zinc/47/84/75/1047478475.db2.gz UMIWOFRBVPOGNU-RBUKOAKNSA-N 1 2 346.519 4.392 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000746889650 1047550858 /nfs/dbraw/zinc/55/08/58/1047550858.db2.gz BRRSHRUNOFMJOD-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000746889650 1047550869 /nfs/dbraw/zinc/55/08/69/1047550869.db2.gz BRRSHRUNOFMJOD-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2cc(Cl)ccc2OC)nn1 ZINC000424292950 1047673646 /nfs/dbraw/zinc/67/36/46/1047673646.db2.gz HTQIDKUWGCQHTQ-QGZVFWFLSA-N 1 2 348.878 4.003 20 30 EIEDLO CCC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(N)c1 ZINC000814905178 1048227915 /nfs/dbraw/zinc/22/79/15/1048227915.db2.gz QVNQHYLCAADPTR-UHFFFAOYSA-N 1 2 336.754 4.196 20 30 EIEDLO C#CCCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(Cl)cc2F)cc1 ZINC000809698408 1048463562 /nfs/dbraw/zinc/46/35/62/1048463562.db2.gz BJDZFULONDQZKD-FQEVSTJZSA-N 1 2 341.813 4.345 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000809782634 1048529510 /nfs/dbraw/zinc/52/95/10/1048529510.db2.gz BFRAOPUWZGXATL-QGZVFWFLSA-N 1 2 345.446 4.338 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000809782634 1048529521 /nfs/dbraw/zinc/52/95/21/1048529521.db2.gz BFRAOPUWZGXATL-QGZVFWFLSA-N 1 2 345.446 4.338 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H](C)COCc2ccccc2)c1 ZINC000920173271 1048570767 /nfs/dbraw/zinc/57/07/67/1048570767.db2.gz BLFNZGIFSAAANW-RDPIHGLISA-N 1 2 327.424 4.063 20 30 EIEDLO CCOc1ccc(/C=[NH+]/C[C@H](C)COCc2ccccc2)c(O)c1 ZINC000920175279 1048573705 /nfs/dbraw/zinc/57/37/05/1048573705.db2.gz USHGXMOTLKSHJR-REIAIGDLSA-N 1 2 327.424 4.063 20 30 EIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1nccc2ccccc21 ZINC000811698116 1049238600 /nfs/dbraw/zinc/23/86/00/1049238600.db2.gz IBHVEBODRIBYNI-WAYWQWQTSA-N 1 2 331.400 4.378 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000609822859 1049343792 /nfs/dbraw/zinc/34/37/92/1049343792.db2.gz MNIJCCSUEIQXTB-ZDUSSCGKSA-N 1 2 341.252 4.440 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(Br)cccc2C1 ZINC000609822859 1049343800 /nfs/dbraw/zinc/34/38/00/1049343800.db2.gz MNIJCCSUEIQXTB-ZDUSSCGKSA-N 1 2 341.252 4.440 20 30 EIEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2ccc(N)cc2Cl)cc1C ZINC000812228455 1049379197 /nfs/dbraw/zinc/37/91/97/1049379197.db2.gz QOHUYSAFWOQAMT-UHFFFAOYSA-N 1 2 345.830 4.243 20 30 EIEDLO CC(C)(CCC#N)c1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001148896034 1049392975 /nfs/dbraw/zinc/39/29/75/1049392975.db2.gz XAHCMXCAZQFLKL-UHFFFAOYSA-N 1 2 332.407 4.168 20 30 EIEDLO O=[N+]([O-])c1cc(C=[NH+]Nc2ccccc2F)ccc1N1CCCCC1 ZINC000812460824 1049480965 /nfs/dbraw/zinc/48/09/65/1049480965.db2.gz WDOYLOUUFJLFKA-UHFFFAOYSA-N 1 2 342.374 4.170 20 30 EIEDLO Nc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c[nH+]1 ZINC000821032034 1049591839 /nfs/dbraw/zinc/59/18/39/1049591839.db2.gz QCXHSCYDXFGXSD-DAFODLJHSA-N 1 2 343.180 4.069 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812795417 1049591961 /nfs/dbraw/zinc/59/19/61/1049591961.db2.gz WKIGLEAFIPQGLA-INIZCTEOSA-N 1 2 325.280 4.448 20 30 EIEDLO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@@](F)(C#N)C2)c1C ZINC000615531300 1049710491 /nfs/dbraw/zinc/71/04/91/1049710491.db2.gz NVYISKZMWNGQJG-MRXNPFEDSA-N 1 2 348.219 4.056 20 30 EIEDLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C#N)CCCCC1)C2 ZINC001172083623 1049847388 /nfs/dbraw/zinc/84/73/88/1049847388.db2.gz QGPKJSUQDSWZQQ-OSYLJGHBSA-N 1 2 347.503 4.123 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090299 1049848607 /nfs/dbraw/zinc/84/86/07/1049848607.db2.gz OIUZPTDIIMTNOB-CLWJZODNSA-N 1 2 349.519 4.225 20 30 EIEDLO CC(C)CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301769 1049872862 /nfs/dbraw/zinc/87/28/62/1049872862.db2.gz WLYOMLFMTSZXHG-QFBILLFUSA-N 1 2 344.499 4.225 20 30 EIEDLO CC(C)CC[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301770 1049872880 /nfs/dbraw/zinc/87/28/80/1049872880.db2.gz WLYOMLFMTSZXHG-VQIMIIECSA-N 1 2 344.499 4.225 20 30 EIEDLO CCCCCCCC[C@@H](CC)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001172505719 1049924604 /nfs/dbraw/zinc/92/46/04/1049924604.db2.gz SQJOAJAMRGDEOJ-RTBURBONSA-N 1 2 334.504 4.285 20 30 EIEDLO C#C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccc(Cl)cc1 ZINC001186639936 1050380907 /nfs/dbraw/zinc/38/09/07/1050380907.db2.gz UBOAZJSQHKIKKD-OAHLLOKOSA-N 1 2 332.794 4.322 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000618820091 1050541346 /nfs/dbraw/zinc/54/13/46/1050541346.db2.gz ZUEAEEYKXLLTNQ-KRWDZBQOSA-N 1 2 348.372 4.221 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000618820091 1050541353 /nfs/dbraw/zinc/54/13/53/1050541353.db2.gz ZUEAEEYKXLLTNQ-KRWDZBQOSA-N 1 2 348.372 4.221 20 30 EIEDLO N#Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1Cl ZINC001174401658 1050919626 /nfs/dbraw/zinc/91/96/26/1050919626.db2.gz LNAWOCOONNDFKC-UHFFFAOYSA-N 1 2 347.603 4.365 20 30 EIEDLO CCOC(=O)CCCc1ccc(C#N)cc1Nc1cc[nH+]c2[nH]ccc21 ZINC001174411826 1050985340 /nfs/dbraw/zinc/98/53/40/1050985340.db2.gz CBLAXRBZWYOYGR-UHFFFAOYSA-N 1 2 348.406 4.016 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)o2)c1 ZINC000775338785 1051095659 /nfs/dbraw/zinc/09/56/59/1051095659.db2.gz SDAHHIUEWHMZOX-CABCVRRESA-N 1 2 332.407 4.329 20 30 EIEDLO CC[NH+](CC)[C@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1Cl ZINC001182221227 1051436214 /nfs/dbraw/zinc/43/62/14/1051436214.db2.gz HIBGMENULVHPRR-PKOBYXMFSA-N 1 2 349.906 4.167 20 30 EIEDLO N#Cc1ccc(Br)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352024 1051543989 /nfs/dbraw/zinc/54/39/89/1051543989.db2.gz YQZAQJKRPCKUAR-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO CCCCCCCCCCCCNC(=O)N1CCc2[nH+]ccn2CC1 ZINC001191855625 1051558159 /nfs/dbraw/zinc/55/81/59/1051558159.db2.gz HUAINZPGDAXKRY-UHFFFAOYSA-N 1 2 348.535 4.372 20 30 EIEDLO N#Cc1c(F)c(Cl)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713357 1051735305 /nfs/dbraw/zinc/73/53/05/1051735305.db2.gz FAIPRKJKVVEEQX-UHFFFAOYSA-N 1 2 330.672 4.090 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000774621079 1051833004 /nfs/dbraw/zinc/83/30/04/1051833004.db2.gz FEZYRRMKSREMIS-ZIAGYGMSSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000774621079 1051833010 /nfs/dbraw/zinc/83/30/10/1051833010.db2.gz FEZYRRMKSREMIS-ZIAGYGMSSA-N 1 2 348.541 4.406 20 30 EIEDLO COc1cc[nH+]cc1Nc1cc(Cl)c(Br)cc1C#N ZINC001176122860 1051922098 /nfs/dbraw/zinc/92/20/98/1051922098.db2.gz AWDCAPQFGANYEG-UHFFFAOYSA-N 1 2 338.592 4.121 20 30 EIEDLO CC(C)C[C@H](C(=O)N(O)Cc1cccc2ccccc21)n1cc[nH+]c1 ZINC001184339554 1051996185 /nfs/dbraw/zinc/99/61/85/1051996185.db2.gz HTHNJPYDHGGNKE-LJQANCHMSA-N 1 2 337.423 4.042 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586944 1052120955 /nfs/dbraw/zinc/12/09/55/1052120955.db2.gz GRNUSOAANMKSOM-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586944 1052120964 /nfs/dbraw/zinc/12/09/64/1052120964.db2.gz GRNUSOAANMKSOM-WOJBJXKFSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc(Br)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185042857 1052161287 /nfs/dbraw/zinc/16/12/87/1052161287.db2.gz KLYQVPICWPDPMR-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1C(F)(F)F ZINC001176751034 1052182297 /nfs/dbraw/zinc/18/22/97/1052182297.db2.gz SUOMTRNYWVQSOH-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(F)c(C#N)c1 ZINC001176958747 1052212474 /nfs/dbraw/zinc/21/24/74/1052212474.db2.gz IGKZNRWJFRIPJT-CYBMUJFWSA-N 1 2 343.471 4.301 20 30 EIEDLO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(F)c(C#N)c1 ZINC001176958747 1052212479 /nfs/dbraw/zinc/21/24/79/1052212479.db2.gz IGKZNRWJFRIPJT-CYBMUJFWSA-N 1 2 343.471 4.301 20 30 EIEDLO CCCCCCCCOC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001194752107 1053080785 /nfs/dbraw/zinc/08/07/85/1053080785.db2.gz DEWSNKIVTGGNOD-UHFFFAOYSA-N 1 2 333.476 4.137 20 30 EIEDLO CC(C)n1ncc2cc(C[NH2+]CC3(C#N)CCCCC3)c(Cl)nc21 ZINC000850390958 1053158977 /nfs/dbraw/zinc/15/89/77/1053158977.db2.gz YZVHWZALMHVPEL-UHFFFAOYSA-N 1 2 345.878 4.229 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000794703137 1053321999 /nfs/dbraw/zinc/32/19/99/1053321999.db2.gz SRPNWUXDUIYPHD-ONEGZZNKSA-N 1 2 341.263 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C2\CC(C)(C)c3ccccc3C2=O)s1 ZINC000794714503 1053349191 /nfs/dbraw/zinc/34/91/91/1053349191.db2.gz RZBVIAFXORSHFT-UKTHLTGXSA-N 1 2 326.465 4.152 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914447 1053368414 /nfs/dbraw/zinc/36/84/14/1053368414.db2.gz HXAHMAAWYCPINK-AWEZNQCLSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764914447 1053368427 /nfs/dbraw/zinc/36/84/27/1053368427.db2.gz HXAHMAAWYCPINK-AWEZNQCLSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765060606 1053432923 /nfs/dbraw/zinc/43/29/23/1053432923.db2.gz JLVRELSHAOZOEG-HOCLYGCPSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765060606 1053432930 /nfs/dbraw/zinc/43/29/30/1053432930.db2.gz JLVRELSHAOZOEG-HOCLYGCPSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@@H](C(C)C)C2)c1=S ZINC000765083322 1053439846 /nfs/dbraw/zinc/43/98/46/1053439846.db2.gz YEXFYWQCZVHANA-CQSZACIVSA-N 1 2 348.541 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c1=S ZINC000765083322 1053439854 /nfs/dbraw/zinc/43/98/54/1053439854.db2.gz YEXFYWQCZVHANA-CQSZACIVSA-N 1 2 348.541 4.264 20 30 EIEDLO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)CO1 ZINC001196073477 1053573148 /nfs/dbraw/zinc/57/31/48/1053573148.db2.gz IXSPXQPSWQVSHX-HXUWFJFHSA-N 1 2 338.426 4.267 20 30 EIEDLO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)CO1 ZINC001196073477 1053573162 /nfs/dbraw/zinc/57/31/62/1053573162.db2.gz IXSPXQPSWQVSHX-HXUWFJFHSA-N 1 2 338.426 4.267 20 30 EIEDLO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231811 1053659071 /nfs/dbraw/zinc/65/90/71/1053659071.db2.gz ABIZPSCEZJYTSM-KGLIPLIRSA-N 1 2 340.423 4.001 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000853598182 1053689359 /nfs/dbraw/zinc/68/93/59/1053689359.db2.gz NLYAYLKABVLTRE-NXHRZFHOSA-N 1 2 340.496 4.164 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000853598182 1053689367 /nfs/dbraw/zinc/68/93/67/1053689367.db2.gz NLYAYLKABVLTRE-NXHRZFHOSA-N 1 2 340.496 4.164 20 30 EIEDLO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc(C#N)c1O ZINC000866360331 1053704064 /nfs/dbraw/zinc/70/40/64/1053704064.db2.gz DRZZJXBRSNZNFG-BTYIYWSLSA-N 1 2 348.446 4.009 20 30 EIEDLO CC#CC[N@H+](C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001197532089 1053925015 /nfs/dbraw/zinc/92/50/15/1053925015.db2.gz JKARETFXJMKFOM-SFHVURJKSA-N 1 2 328.253 4.494 20 30 EIEDLO CC#CC[N@@H+](C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001197532089 1053925024 /nfs/dbraw/zinc/92/50/24/1053925024.db2.gz JKARETFXJMKFOM-SFHVURJKSA-N 1 2 328.253 4.494 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000208296481 1054115675 /nfs/dbraw/zinc/11/56/75/1054115675.db2.gz YJVLVDQTTCJDCG-DOAWATSRSA-N 1 2 349.478 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000208296481 1054115682 /nfs/dbraw/zinc/11/56/82/1054115682.db2.gz YJVLVDQTTCJDCG-DOAWATSRSA-N 1 2 349.478 4.032 20 30 EIEDLO CCc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC001198851270 1054274327 /nfs/dbraw/zinc/27/43/27/1054274327.db2.gz GSTOYXACKAJNHO-UHFFFAOYSA-N 1 2 340.854 4.363 20 30 EIEDLO CCc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC001198851270 1054274341 /nfs/dbraw/zinc/27/43/41/1054274341.db2.gz GSTOYXACKAJNHO-UHFFFAOYSA-N 1 2 340.854 4.363 20 30 EIEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000776186122 1054803593 /nfs/dbraw/zinc/80/35/93/1054803593.db2.gz UHJWTNYCHNNEEB-HNNXBMFYSA-N 1 2 348.805 4.155 20 30 EIEDLO CC(C)[NH2+]c1ccc(Nc2ccc(C#N)nc2Br)cc1 ZINC001201487453 1054817004 /nfs/dbraw/zinc/81/70/04/1054817004.db2.gz IFVPZUDNAOHYAW-UHFFFAOYSA-N 1 2 331.217 4.280 20 30 EIEDLO CCCCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201846332 1054933553 /nfs/dbraw/zinc/93/35/53/1054933553.db2.gz IVQDCTDPGFDVJW-UHFFFAOYSA-N 1 2 346.563 4.435 20 30 EIEDLO CCCCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201846332 1054933564 /nfs/dbraw/zinc/93/35/64/1054933564.db2.gz IVQDCTDPGFDVJW-UHFFFAOYSA-N 1 2 346.563 4.435 20 30 EIEDLO CCCCCCCCC[N@H+]1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201846332 1054933584 /nfs/dbraw/zinc/93/35/84/1054933584.db2.gz IVQDCTDPGFDVJW-UHFFFAOYSA-N 1 2 346.563 4.435 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C/C=C\C)C2)c1=S ZINC000863341162 1055187279 /nfs/dbraw/zinc/18/72/79/1055187279.db2.gz VRFOYBLVGJVUMP-QTLSWZBMSA-N 1 2 332.517 4.113 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C/C=C\C)C2)c1=S ZINC000863341162 1055187282 /nfs/dbraw/zinc/18/72/82/1055187282.db2.gz VRFOYBLVGJVUMP-QTLSWZBMSA-N 1 2 332.517 4.113 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166192 1055198006 /nfs/dbraw/zinc/19/80/06/1055198006.db2.gz NXHQPLUEMGAVGR-SFTDATJTSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166192 1055198010 /nfs/dbraw/zinc/19/80/10/1055198010.db2.gz NXHQPLUEMGAVGR-SFTDATJTSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(C)c1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075621234 1055251790 /nfs/dbraw/zinc/25/17/90/1055251790.db2.gz QORQYOLVMJJBKK-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO CC(C)c1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075621234 1055251813 /nfs/dbraw/zinc/25/18/13/1055251813.db2.gz QORQYOLVMJJBKK-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000022758265 1055331222 /nfs/dbraw/zinc/33/12/22/1055331222.db2.gz QCQPDZDZNJWFMS-KRWDZBQOSA-N 1 2 340.496 4.054 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000022758265 1055331242 /nfs/dbraw/zinc/33/12/42/1055331242.db2.gz QCQPDZDZNJWFMS-KRWDZBQOSA-N 1 2 340.496 4.054 20 30 EIEDLO Cc1cc(C)c2ncc(C#N)c(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000301330502 1055923252 /nfs/dbraw/zinc/92/32/52/1055923252.db2.gz DJTXECKEFIHKTO-UHFFFAOYSA-N 1 2 341.418 4.026 20 30 EIEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cnn1-c1ccccc1 ZINC000741466840 1058224411 /nfs/dbraw/zinc/22/44/11/1058224411.db2.gz AJWMNUZXPAIHLR-ZHACJKMWSA-N 1 2 342.402 4.033 20 30 EIEDLO C#CCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000766274746 1058331917 /nfs/dbraw/zinc/33/19/17/1058331917.db2.gz GLXAGTDCRPDNGB-CYBMUJFWSA-N 1 2 348.903 4.049 20 30 EIEDLO COc1ccc(C)cc1C(=O)/C=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000737444118 1058343930 /nfs/dbraw/zinc/34/39/30/1058343930.db2.gz NZJHJDYLEHIXLK-WAYWQWQTSA-N 1 2 326.783 4.201 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000742381837 1058584927 /nfs/dbraw/zinc/58/49/27/1058584927.db2.gz MOFQPZDKFUGZIC-UHFFFAOYSA-N 1 2 329.425 4.172 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000742381871 1058585745 /nfs/dbraw/zinc/58/57/45/1058585745.db2.gz PMBZGFSQOVLUEI-UHFFFAOYSA-N 1 2 340.732 4.242 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000742380246 1058605506 /nfs/dbraw/zinc/60/55/06/1058605506.db2.gz BIQMOGJRMIQVGI-UHFFFAOYSA-N 1 2 341.386 4.250 20 30 EIEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC001169382671 1060782674 /nfs/dbraw/zinc/78/26/74/1060782674.db2.gz LKIYZMNCLWLIKI-KBMXLJTQSA-N 1 2 341.373 4.049 20 30 EIEDLO N#Cc1ccc(CC[N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)cc1 ZINC001169917239 1061031455 /nfs/dbraw/zinc/03/14/55/1061031455.db2.gz FIGWAHMPIYBYJS-UHFFFAOYSA-N 1 2 335.838 4.225 20 30 EIEDLO N#Cc1ccc(CC[N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)cc1 ZINC001169917239 1061031464 /nfs/dbraw/zinc/03/14/64/1061031464.db2.gz FIGWAHMPIYBYJS-UHFFFAOYSA-N 1 2 335.838 4.225 20 30 EIEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCC1 ZINC000449851874 1032065128 /nfs/dbraw/zinc/06/51/28/1032065128.db2.gz XBBVTBLFJICTMD-UHFFFAOYSA-N 1 2 341.499 4.215 20 30 EIEDLO C=CCC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000449839651 1032070039 /nfs/dbraw/zinc/07/00/39/1032070039.db2.gz CIPMKXUGVLROQR-KRWDZBQOSA-N 1 2 342.483 4.155 20 30 EIEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512422246 1032729167 /nfs/dbraw/zinc/72/91/67/1032729167.db2.gz YUIDSQPYUMFFQP-SFHVURJKSA-N 1 2 326.440 4.296 20 30 EIEDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512422246 1032729184 /nfs/dbraw/zinc/72/91/84/1032729184.db2.gz YUIDSQPYUMFFQP-SFHVURJKSA-N 1 2 326.440 4.296 20 30 EIEDLO CCOC(=O)c1sc(SC)c(C#N)c1Nc1c[nH+]c(C)cc1C ZINC001213505612 1019076619 /nfs/dbraw/zinc/07/66/19/1019076619.db2.gz KKIUJSZIJMFUNP-UHFFFAOYSA-N 1 2 347.465 4.274 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000274911854 1019852555 /nfs/dbraw/zinc/85/25/55/1019852555.db2.gz WNKPRJVBWANQHC-GTNSWQLSSA-N 1 2 335.350 4.312 20 30 EIEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1C(F)(F)F ZINC000165384873 1020452720 /nfs/dbraw/zinc/45/27/20/1020452720.db2.gz OKVCFLFEVPRCNC-UHFFFAOYSA-N 1 2 346.356 4.184 20 30 EIEDLO COc1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000340144964 1020471351 /nfs/dbraw/zinc/47/13/51/1020471351.db2.gz CVUQXANUMBCHDX-UHFFFAOYSA-N 1 2 335.432 4.186 20 30 EIEDLO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 ZINC000177617287 1021008153 /nfs/dbraw/zinc/00/81/53/1021008153.db2.gz FYCHVYGZIRFQMN-FARCUNLSSA-N 1 2 340.329 4.061 20 30 EIEDLO COc1ccc(-c2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)co2)cc1 ZINC000580175130 1021738098 /nfs/dbraw/zinc/73/80/98/1021738098.db2.gz KGMHBAQFGXRXGS-UHFFFAOYSA-N 1 2 345.402 4.001 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000378365799 1022756805 /nfs/dbraw/zinc/75/68/05/1022756805.db2.gz XPDQRBXKOPJTHW-INIZCTEOSA-N 1 2 327.453 4.059 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000378365799 1022756828 /nfs/dbraw/zinc/75/68/28/1022756828.db2.gz XPDQRBXKOPJTHW-INIZCTEOSA-N 1 2 327.453 4.059 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc(Br)ccc1F ZINC000177908832 1022830077 /nfs/dbraw/zinc/83/00/77/1022830077.db2.gz BHMKXIRDLRWOFI-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181171995 1022894230 /nfs/dbraw/zinc/89/42/30/1022894230.db2.gz QSUUFHFCNQOELZ-GFCCVEGCSA-N 1 2 345.240 4.219 20 30 EIEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181171995 1022894234 /nfs/dbraw/zinc/89/42/34/1022894234.db2.gz QSUUFHFCNQOELZ-GFCCVEGCSA-N 1 2 345.240 4.219 20 30 EIEDLO N#C[C@@H]1[N@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925181 1022979146 /nfs/dbraw/zinc/97/91/46/1022979146.db2.gz JCYYCCAOXBLXPL-SJJHQCBESA-N 1 2 344.421 4.282 20 30 EIEDLO N#C[C@@H]1[N@@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925181 1022979159 /nfs/dbraw/zinc/97/91/59/1022979159.db2.gz JCYYCCAOXBLXPL-SJJHQCBESA-N 1 2 344.421 4.282 20 30 EIEDLO Cc1cc2c(s1)N(c1cc(C#N)ccn1)c1ccccc1NC2=[NH2+] ZINC001167456341 1023072000 /nfs/dbraw/zinc/07/20/00/1023072000.db2.gz DBQQAZKWZIUBCT-UHFFFAOYSA-N 1 2 331.404 4.143 20 30 EIEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C)n1cc[nH+]c1 ZINC000584783273 1023314969 /nfs/dbraw/zinc/31/49/69/1023314969.db2.gz AAVRQQSKBJLDPX-RWMBFGLXSA-N 1 2 342.468 4.092 20 30 EIEDLO COc1cccc(C2(F)CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000500168002 1023562347 /nfs/dbraw/zinc/56/23/47/1023562347.db2.gz RZVSFJIUFXODBV-UHFFFAOYSA-N 1 2 342.389 4.167 20 30 EIEDLO Cc1cc(F)ncc1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000891770400 1023966515 /nfs/dbraw/zinc/96/65/15/1023966515.db2.gz JAUCLUGCOZWEJT-GHMZBOCLSA-N 1 2 344.274 4.092 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1-c1ccccc1OC ZINC000430721417 1023974772 /nfs/dbraw/zinc/97/47/72/1023974772.db2.gz CGZWUAMROTUWKB-UHFFFAOYSA-N 1 2 340.471 4.033 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1-c1ccccc1OC ZINC000430721417 1023974789 /nfs/dbraw/zinc/97/47/89/1023974789.db2.gz CGZWUAMROTUWKB-UHFFFAOYSA-N 1 2 340.471 4.033 20 30 EIEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651649398 1024088702 /nfs/dbraw/zinc/08/87/02/1024088702.db2.gz DMSHQHRRQZLOMU-GHMZBOCLSA-N 1 2 345.258 4.007 20 30 EIEDLO Cc1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1C1CC1 ZINC000344143196 1026060289 /nfs/dbraw/zinc/06/02/89/1026060289.db2.gz MRLFPFNHKJBGKP-UHFFFAOYSA-N 1 2 347.462 4.159 20 30 EIEDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1C1CC1 ZINC000344143196 1026060312 /nfs/dbraw/zinc/06/03/12/1026060312.db2.gz MRLFPFNHKJBGKP-UHFFFAOYSA-N 1 2 347.462 4.159 20 30 EIEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccn1 ZINC000182086569 1026213524 /nfs/dbraw/zinc/21/35/24/1026213524.db2.gz ASGOAUCOFHFCKH-KSFYIVLOSA-N 1 2 343.430 4.402 20 30 EIEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc(C(F)(F)F)cs1 ZINC000551562791 1026219700 /nfs/dbraw/zinc/21/97/00/1026219700.db2.gz ACNDHOLRZRVCGS-JTQLQIEISA-N 1 2 337.370 4.373 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)ccc1OC ZINC000512188286 1026293677 /nfs/dbraw/zinc/29/36/77/1026293677.db2.gz XXELDFFYSVZFHD-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)ccc1OC ZINC000512188286 1026293692 /nfs/dbraw/zinc/29/36/92/1026293692.db2.gz XXELDFFYSVZFHD-UHFFFAOYSA-N 1 2 335.831 4.012 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1csnn1)c1ccc(C(F)(F)F)cc1 ZINC000345028633 1026760123 /nfs/dbraw/zinc/76/01/23/1026760123.db2.gz MRTRCSZPRQIROU-CQSZACIVSA-N 1 2 327.375 4.354 20 30 EIEDLO C[C@@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000479517155 1026834635 /nfs/dbraw/zinc/83/46/35/1026834635.db2.gz WCDCXODRQHWDCE-BDJLRTHQSA-N 1 2 335.234 4.249 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2ccccc2o1 ZINC000342700031 1026858135 /nfs/dbraw/zinc/85/81/35/1026858135.db2.gz JTRIAXNOKMMXHE-CYBMUJFWSA-N 1 2 344.374 4.205 20 30 EIEDLO CCc1nocc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000507628369 1026858749 /nfs/dbraw/zinc/85/87/49/1026858749.db2.gz DXFZGUPAZIYKTA-UHFFFAOYSA-N 1 2 349.409 4.450 20 30 EIEDLO CCc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000507628369 1026858752 /nfs/dbraw/zinc/85/87/52/1026858752.db2.gz DXFZGUPAZIYKTA-UHFFFAOYSA-N 1 2 349.409 4.450 20 30 EIEDLO C=CC[NH+](CC=C)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000441188312 1027335757 /nfs/dbraw/zinc/33/57/57/1027335757.db2.gz KCLWJBHBQVNBGS-UHFFFAOYSA-N 1 2 333.229 4.278 20 30 EIEDLO C=C1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000441313035 1027442428 /nfs/dbraw/zinc/44/24/28/1027442428.db2.gz RZZSLCXUYNYNHT-UHFFFAOYSA-N 1 2 333.229 4.256 20 30 EIEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894964855 1027610344 /nfs/dbraw/zinc/61/03/44/1027610344.db2.gz ZSCJSABULMLAPZ-AWEZNQCLSA-N 1 2 337.370 4.201 20 30 EIEDLO CC(C)(C)c1nc(CNc2[nH+]cccc2OCCCC#N)cs1 ZINC000162268065 1027838528 /nfs/dbraw/zinc/83/85/28/1027838528.db2.gz AQJPEGXEVCQEIR-UHFFFAOYSA-N 1 2 330.457 4.130 20 30 EIEDLO CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000329576726 1027859180 /nfs/dbraw/zinc/85/91/80/1027859180.db2.gz KCECHGZUNFMODU-CRAIPNDOSA-N 1 2 339.439 4.432 20 30 EIEDLO CC[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccs1 ZINC000329677714 1027969068 /nfs/dbraw/zinc/96/90/68/1027969068.db2.gz PZLHHRZACRDKIK-GNFNDJEDSA-N 1 2 333.501 4.109 20 30 EIEDLO C=CC[C@@H]1N(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCC1(C)C ZINC000444893767 1028176114 /nfs/dbraw/zinc/17/61/14/1028176114.db2.gz HPEMCXSKQIIYDM-INIZCTEOSA-N 1 2 326.444 4.241 20 30 EIEDLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000330187381 1028224744 /nfs/dbraw/zinc/22/47/44/1028224744.db2.gz KJNBASYIHYFHLC-CPUCHLNUSA-N 1 2 346.862 4.095 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c(OC)c1 ZINC000428438790 1029260131 /nfs/dbraw/zinc/26/01/31/1029260131.db2.gz ASKSGLNVXGUPJY-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c(OC)c1 ZINC000428438790 1029260145 /nfs/dbraw/zinc/26/01/45/1029260145.db2.gz ASKSGLNVXGUPJY-IBGZPJMESA-N 1 2 340.398 4.052 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccc(F)c(F)c1 ZINC000450780973 1030001825 /nfs/dbraw/zinc/00/18/25/1030001825.db2.gz RGCSNCVCXMXDLM-OAHLLOKOSA-N 1 2 345.315 4.131 20 30 EIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001125712864 1030033342 /nfs/dbraw/zinc/03/33/42/1030033342.db2.gz IVSBRTAPCQSMAX-INIZCTEOSA-N 1 2 349.459 4.110 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)(F)F)s1 ZINC000685442368 1030317518 /nfs/dbraw/zinc/31/75/18/1030317518.db2.gz UDUUCQWPKSIQLV-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)(F)F)s1 ZINC000685442368 1030317534 /nfs/dbraw/zinc/31/75/34/1030317534.db2.gz UDUUCQWPKSIQLV-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000448725573 1030991017 /nfs/dbraw/zinc/99/10/17/1030991017.db2.gz LVCIKSLXZVHUFU-UHFFFAOYSA-N 1 2 341.499 4.215 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000052580328 1031034797 /nfs/dbraw/zinc/03/47/97/1031034797.db2.gz MGXYGJAJFACQOK-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000052580328 1031034812 /nfs/dbraw/zinc/03/48/12/1031034812.db2.gz MGXYGJAJFACQOK-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccn2cc(CCNc3ccc(C(F)(F)F)c(C#N)c3)[nH+]c12 ZINC000610917077 1031076605 /nfs/dbraw/zinc/07/66/05/1031076605.db2.gz VTNCHWUDHAVSAW-UHFFFAOYSA-N 1 2 344.340 4.188 20 30 EIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129844954 1031357334 /nfs/dbraw/zinc/35/73/34/1031357334.db2.gz SZYLXIRNLJYNPG-LIRRHRJNSA-N 1 2 346.434 4.087 20 30 EIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129844954 1031357346 /nfs/dbraw/zinc/35/73/46/1031357346.db2.gz SZYLXIRNLJYNPG-LIRRHRJNSA-N 1 2 346.434 4.087 20 30 EIEDLO CCOc1ccc(C2=CC[N@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC001168244367 1031441643 /nfs/dbraw/zinc/44/16/43/1031441643.db2.gz MVPXLJNUWKFKEZ-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC001168244367 1031441652 /nfs/dbraw/zinc/44/16/52/1031441652.db2.gz MVPXLJNUWKFKEZ-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)cc1F ZINC000512654235 1033624807 /nfs/dbraw/zinc/62/48/07/1033624807.db2.gz KLUZCPXFKIBBCJ-NSHDSACASA-N 1 2 327.384 4.265 20 30 EIEDLO N#CCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000338038162 1033931951 /nfs/dbraw/zinc/93/19/51/1033931951.db2.gz AIFVYJJVXBKZDM-UHFFFAOYSA-N 1 2 331.759 4.044 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)cc1 ZINC000542611842 1034499097 /nfs/dbraw/zinc/49/90/97/1034499097.db2.gz HVIMMFICSPKDAG-CQSZACIVSA-N 1 2 332.407 4.021 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1Cl ZINC000513118149 1034594058 /nfs/dbraw/zinc/59/40/58/1034594058.db2.gz YJMYFEOKLYZDFT-NSHDSACASA-N 1 2 338.785 4.429 20 30 EIEDLO C=CCOc1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000430020716 1035012934 /nfs/dbraw/zinc/01/29/34/1035012934.db2.gz HZNZWLNWTLWLBR-UHFFFAOYSA-N 1 2 325.305 4.098 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593125807 1035801396 /nfs/dbraw/zinc/80/13/96/1035801396.db2.gz ODAQDPZIYHSISN-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593125807 1035801398 /nfs/dbraw/zinc/80/13/98/1035801398.db2.gz ODAQDPZIYHSISN-ACRUOGEOSA-N 1 2 336.410 4.192 20 30 EIEDLO CC1(C)C[C@@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000595908309 1035804007 /nfs/dbraw/zinc/80/40/07/1035804007.db2.gz HBVRXXAIGHVVMI-OAQYLSRUSA-N 1 2 344.418 4.023 20 30 EIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(F)c(F)c3F)CC2)c1 ZINC000596988944 1036072257 /nfs/dbraw/zinc/07/22/57/1036072257.db2.gz KNXCGJFJOXZYEG-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000597230668 1036162319 /nfs/dbraw/zinc/16/23/19/1036162319.db2.gz SZSOYUIFMFNOGI-OAQYLSRUSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000597230668 1036162333 /nfs/dbraw/zinc/16/23/33/1036162333.db2.gz SZSOYUIFMFNOGI-OAQYLSRUSA-N 1 2 336.435 4.010 20 30 EIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000597229966 1036162369 /nfs/dbraw/zinc/16/23/69/1036162369.db2.gz OJRGCMWNKYUTAG-QGZVFWFLSA-N 1 2 345.786 4.244 20 30 EIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000597229966 1036162406 /nfs/dbraw/zinc/16/24/06/1036162406.db2.gz OJRGCMWNKYUTAG-QGZVFWFLSA-N 1 2 345.786 4.244 20 30 EIEDLO C=CCC[N@@H+](Cc1ncc(Br)s1)Cc1ccccc1 ZINC001142717532 1036278764 /nfs/dbraw/zinc/27/87/64/1036278764.db2.gz WFGZNPZEVPPGPJ-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO C=CCC[N@H+](Cc1ncc(Br)s1)Cc1ccccc1 ZINC001142717532 1036278786 /nfs/dbraw/zinc/27/87/86/1036278786.db2.gz WFGZNPZEVPPGPJ-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000016395417 1036371935 /nfs/dbraw/zinc/37/19/35/1036371935.db2.gz BOCKYSKJJMCDPD-KRWDZBQOSA-N 1 2 342.508 4.230 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000016395417 1036371958 /nfs/dbraw/zinc/37/19/58/1036371958.db2.gz BOCKYSKJJMCDPD-KRWDZBQOSA-N 1 2 342.508 4.230 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cccs1 ZINC000016395410 1036372254 /nfs/dbraw/zinc/37/22/54/1036372254.db2.gz LLJXUOUSTBNAKK-CQSZACIVSA-N 1 2 348.899 4.267 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cccs1 ZINC000016395410 1036372269 /nfs/dbraw/zinc/37/22/69/1036372269.db2.gz LLJXUOUSTBNAKK-CQSZACIVSA-N 1 2 348.899 4.267 20 30 EIEDLO N#CCCCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000588723457 1036424273 /nfs/dbraw/zinc/42/42/73/1036424273.db2.gz FXDRCARDTNVUDX-UHFFFAOYSA-N 1 2 336.439 4.299 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458518 1036457169 /nfs/dbraw/zinc/45/71/69/1036457169.db2.gz NCEVEZWOWCWODC-BLLLJJGKSA-N 1 2 327.255 4.307 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458518 1036457177 /nfs/dbraw/zinc/45/71/77/1036457177.db2.gz NCEVEZWOWCWODC-BLLLJJGKSA-N 1 2 327.255 4.307 20 30 EIEDLO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980609 1036688041 /nfs/dbraw/zinc/68/80/41/1036688041.db2.gz SHDYZJYLVGAOEM-AZUAARDMSA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980609 1036688066 /nfs/dbraw/zinc/68/80/66/1036688066.db2.gz SHDYZJYLVGAOEM-AZUAARDMSA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980610 1036688300 /nfs/dbraw/zinc/68/83/00/1036688300.db2.gz SHDYZJYLVGAOEM-ICSRJNTNSA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980610 1036688309 /nfs/dbraw/zinc/68/83/09/1036688309.db2.gz SHDYZJYLVGAOEM-ICSRJNTNSA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980611 1036689052 /nfs/dbraw/zinc/68/90/52/1036689052.db2.gz SHDYZJYLVGAOEM-QUCCMNQESA-N 1 2 333.435 4.063 20 30 EIEDLO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980611 1036689057 /nfs/dbraw/zinc/68/90/57/1036689057.db2.gz SHDYZJYLVGAOEM-QUCCMNQESA-N 1 2 333.435 4.063 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000590193158 1037007917 /nfs/dbraw/zinc/00/79/17/1037007917.db2.gz GHSFKOJUARHLHK-MLGOLLRUSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000590193158 1037007937 /nfs/dbraw/zinc/00/79/37/1037007937.db2.gz GHSFKOJUARHLHK-MLGOLLRUSA-N 1 2 326.362 4.051 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000591853928 1037642221 /nfs/dbraw/zinc/64/22/21/1037642221.db2.gz CGBRMTURHPBKCO-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000591853928 1037642236 /nfs/dbraw/zinc/64/22/36/1037642236.db2.gz CGBRMTURHPBKCO-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172965374 1038029097 /nfs/dbraw/zinc/02/90/97/1038029097.db2.gz BOFIGNLCZJNUDM-SUMWQHHRSA-N 1 2 346.475 4.088 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S ZINC000172965374 1038029115 /nfs/dbraw/zinc/02/91/15/1038029115.db2.gz BOFIGNLCZJNUDM-SUMWQHHRSA-N 1 2 346.475 4.088 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000489452901 1038049120 /nfs/dbraw/zinc/04/91/20/1038049120.db2.gz XUOJSXRAHUEMDA-MRXNPFEDSA-N 1 2 344.480 4.271 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000489452901 1038049142 /nfs/dbraw/zinc/04/91/42/1038049142.db2.gz XUOJSXRAHUEMDA-MRXNPFEDSA-N 1 2 344.480 4.271 20 30 EIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000594028115 1038221687 /nfs/dbraw/zinc/22/16/87/1038221687.db2.gz FZUIWCYQMKFLJR-UHFFFAOYSA-N 1 2 332.325 4.015 20 30 EIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000594028115 1038221709 /nfs/dbraw/zinc/22/17/09/1038221709.db2.gz FZUIWCYQMKFLJR-UHFFFAOYSA-N 1 2 332.325 4.015 20 30 EIEDLO N#CCC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000574458293 1038252641 /nfs/dbraw/zinc/25/26/41/1038252641.db2.gz MRWHHNYAWLRZGI-UHFFFAOYSA-N 1 2 333.682 4.290 20 30 EIEDLO Cc1ccccc1Oc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000554977073 1038804899 /nfs/dbraw/zinc/80/48/99/1038804899.db2.gz JCXFLKYBMOQMMA-UHFFFAOYSA-N 1 2 335.432 4.405 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076449 1039125939 /nfs/dbraw/zinc/12/59/39/1039125939.db2.gz OGWRDBIEYUESMB-IFMALSPDSA-N 1 2 342.446 4.348 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076449 1039125954 /nfs/dbraw/zinc/12/59/54/1039125954.db2.gz OGWRDBIEYUESMB-IFMALSPDSA-N 1 2 342.446 4.348 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000537632888 1039307394 /nfs/dbraw/zinc/30/73/94/1039307394.db2.gz XQPWRPYCYBKODP-AWEZNQCLSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646216 1039569940 /nfs/dbraw/zinc/56/99/40/1039569940.db2.gz TYRMLFFSOXZJIH-UHFFFAOYSA-N 1 2 342.443 4.006 20 30 EIEDLO C=CC[N@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646216 1039569961 /nfs/dbraw/zinc/56/99/61/1039569961.db2.gz TYRMLFFSOXZJIH-UHFFFAOYSA-N 1 2 342.443 4.006 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(-c2ccccn2)s1 ZINC000093101067 1039627659 /nfs/dbraw/zinc/62/76/59/1039627659.db2.gz UIJHVDGKRAPMEK-UHFFFAOYSA-N 1 2 328.485 4.357 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(-c2ccccn2)s1 ZINC000093101067 1039627668 /nfs/dbraw/zinc/62/76/68/1039627668.db2.gz UIJHVDGKRAPMEK-UHFFFAOYSA-N 1 2 328.485 4.357 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000093101232 1039632477 /nfs/dbraw/zinc/63/24/77/1039632477.db2.gz IVZJBSRPNWIXMS-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000093101232 1039632503 /nfs/dbraw/zinc/63/25/03/1039632503.db2.gz IVZJBSRPNWIXMS-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1OC ZINC000430096579 1039841509 /nfs/dbraw/zinc/84/15/09/1039841509.db2.gz FOTBFZSSBBCGHI-HXUWFJFHSA-N 1 2 338.451 4.238 20 30 EIEDLO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1OC ZINC000430096579 1039841512 /nfs/dbraw/zinc/84/15/12/1039841512.db2.gz FOTBFZSSBBCGHI-HXUWFJFHSA-N 1 2 338.451 4.238 20 30 EIEDLO N#CC1(CCCC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000929487372 1040039888 /nfs/dbraw/zinc/03/98/88/1040039888.db2.gz GAKCDGCYQXDYCB-SFHVURJKSA-N 1 2 334.410 4.202 20 30 EIEDLO N#CC1(CCCC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000929487372 1040039908 /nfs/dbraw/zinc/03/99/08/1040039908.db2.gz GAKCDGCYQXDYCB-SFHVURJKSA-N 1 2 334.410 4.202 20 30 EIEDLO CC#CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000462322628 1040471824 /nfs/dbraw/zinc/47/18/24/1040471824.db2.gz AOSSMIKFOHMYIQ-INIZCTEOSA-N 1 2 339.266 4.200 20 30 EIEDLO CC#CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000462322628 1040471830 /nfs/dbraw/zinc/47/18/30/1040471830.db2.gz AOSSMIKFOHMYIQ-INIZCTEOSA-N 1 2 339.266 4.200 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(CC)CC ZINC000554243279 1040913075 /nfs/dbraw/zinc/91/30/75/1040913075.db2.gz PTXIMWGJZOXFPV-LBPRGKRZSA-N 1 2 328.909 4.083 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(CC)CC ZINC000554243279 1040913093 /nfs/dbraw/zinc/91/30/93/1040913093.db2.gz PTXIMWGJZOXFPV-LBPRGKRZSA-N 1 2 328.909 4.083 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)cs3)n2)cc1 ZINC000483631002 1040921085 /nfs/dbraw/zinc/92/10/85/1040921085.db2.gz BYPHGPBJVRVCOT-GFCCVEGCSA-N 1 2 338.436 4.083 20 30 EIEDLO N#Cc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)c(Cl)c1 ZINC001213991727 1041387631 /nfs/dbraw/zinc/38/76/31/1041387631.db2.gz PQQZYSZDUVMOOU-UHFFFAOYSA-N 1 2 347.603 4.365 20 30 EIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443660287 1042224274 /nfs/dbraw/zinc/22/42/74/1042224274.db2.gz QWMOVVBYKULRQQ-OAHLLOKOSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000443660287 1042224279 /nfs/dbraw/zinc/22/42/79/1042224279.db2.gz QWMOVVBYKULRQQ-OAHLLOKOSA-N 1 2 330.790 4.004 20 30 EIEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437833570 1042278628 /nfs/dbraw/zinc/27/86/28/1042278628.db2.gz CHAOKHXNUJNKCB-QGZVFWFLSA-N 1 2 345.393 4.225 20 30 EIEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437833570 1042278638 /nfs/dbraw/zinc/27/86/38/1042278638.db2.gz CHAOKHXNUJNKCB-QGZVFWFLSA-N 1 2 345.393 4.225 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2nc3ccccc3s2)c1 ZINC000017309490 1042429905 /nfs/dbraw/zinc/42/99/05/1042429905.db2.gz TYNVCHLWWRNLTK-XDHOZWIPSA-N 1 2 326.421 4.062 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000491702401 1042489585 /nfs/dbraw/zinc/48/95/85/1042489585.db2.gz WAUITSZZSHVRKM-HZPDHXFCSA-N 1 2 332.856 4.112 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449157 1042635099 /nfs/dbraw/zinc/63/50/99/1042635099.db2.gz IASLCFPHEGCALU-KUHUBIRLSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449157 1042635112 /nfs/dbraw/zinc/63/51/12/1042635112.db2.gz IASLCFPHEGCALU-KUHUBIRLSA-N 1 2 326.827 4.174 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461634 1042647537 /nfs/dbraw/zinc/64/75/37/1042647537.db2.gz LOBPSBNTYRECPH-AZUAARDMSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461634 1042647552 /nfs/dbraw/zinc/64/75/52/1042647552.db2.gz LOBPSBNTYRECPH-AZUAARDMSA-N 1 2 335.838 4.483 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000184661721 1042858346 /nfs/dbraw/zinc/85/83/46/1042858346.db2.gz GXYPYXUHLOCKOK-STQMWFEESA-N 1 2 336.370 4.159 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccccc2nc1C ZINC000512506380 1043088268 /nfs/dbraw/zinc/08/82/68/1043088268.db2.gz LABCZSIRXLLZSO-UHFFFAOYSA-N 1 2 349.482 4.294 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccccc2nc1C ZINC000512506380 1043088285 /nfs/dbraw/zinc/08/82/85/1043088285.db2.gz LABCZSIRXLLZSO-UHFFFAOYSA-N 1 2 349.482 4.294 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCCc2nc3c(s2)CCCC3)c1O ZINC000727062559 1043128636 /nfs/dbraw/zinc/12/86/36/1043128636.db2.gz YZRHTEBWUPPIMQ-MOSHPQCFSA-N 1 2 344.480 4.178 20 30 EIEDLO C=CC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000186985215 1043320491 /nfs/dbraw/zinc/32/04/91/1043320491.db2.gz IXZPHGVIBAXISK-QGZVFWFLSA-N 1 2 335.382 4.310 20 30 EIEDLO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699657 1043355093 /nfs/dbraw/zinc/35/50/93/1043355093.db2.gz CAFPTFICTXJJBG-JTQLQIEISA-N 1 2 347.673 4.483 20 30 EIEDLO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699657 1043355111 /nfs/dbraw/zinc/35/51/11/1043355111.db2.gz CAFPTFICTXJJBG-JTQLQIEISA-N 1 2 347.673 4.483 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(C)ccc1OC(F)F ZINC000730148609 1043456552 /nfs/dbraw/zinc/45/65/52/1043456552.db2.gz ZAAJJZSJTUZFKY-UHFFFAOYSA-N 1 2 341.361 4.403 20 30 EIEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000730147777 1043456968 /nfs/dbraw/zinc/45/69/68/1043456968.db2.gz SINLWIXNHYUAPF-UHFFFAOYSA-N 1 2 341.361 4.484 20 30 EIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000521743589 1043951495 /nfs/dbraw/zinc/95/14/95/1043951495.db2.gz SOKBNLOMHVFGGU-HXUWFJFHSA-N 1 2 336.435 4.027 20 30 EIEDLO NC(=[NH+]OCc1cc(Cl)cc2cccnc21)c1ccc(Cl)cc1 ZINC000914786215 1044777636 /nfs/dbraw/zinc/77/76/36/1044777636.db2.gz YJUJAUFMEGPZKQ-UHFFFAOYSA-N 1 2 346.217 4.379 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c2ccccc12 ZINC000740765350 1045218771 /nfs/dbraw/zinc/21/87/71/1045218771.db2.gz XKCDJSDFDVNUEG-PKNBQFBNSA-N 1 2 328.371 4.392 20 30 EIEDLO C=C(C)COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741026527 1045256835 /nfs/dbraw/zinc/25/68/35/1045256835.db2.gz PCZMIVZJHLTKEL-HNNXBMFYSA-N 1 2 329.362 4.208 20 30 EIEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768169188 1045735087 /nfs/dbraw/zinc/73/50/87/1045735087.db2.gz RQQSCIUGNCAQKA-UHFFFAOYSA-N 1 2 345.849 4.461 20 30 EIEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768169188 1045735104 /nfs/dbraw/zinc/73/51/04/1045735104.db2.gz RQQSCIUGNCAQKA-UHFFFAOYSA-N 1 2 345.849 4.461 20 30 EIEDLO C#CCCOc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000768192069 1045752594 /nfs/dbraw/zinc/75/25/94/1045752594.db2.gz OEBBGZZABJQRAY-UHFFFAOYSA-N 1 2 335.403 4.477 20 30 EIEDLO Cc1ccc(F)c(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000769911306 1046095661 /nfs/dbraw/zinc/09/56/61/1046095661.db2.gz YBMIURBZUVSMDW-UHFFFAOYSA-N 1 2 332.806 4.322 20 30 EIEDLO Cc1ccc(F)c(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000769911306 1046095645 /nfs/dbraw/zinc/09/56/45/1046095645.db2.gz YBMIURBZUVSMDW-UHFFFAOYSA-N 1 2 332.806 4.322 20 30 EIEDLO Cc1cc([C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000459391748 1046218583 /nfs/dbraw/zinc/21/85/83/1046218583.db2.gz CYYLNXFCWJTLRD-LJQANCHMSA-N 1 2 339.370 4.155 20 30 EIEDLO C(=NN(Cc1ccccc1)Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC000771097649 1046328127 /nfs/dbraw/zinc/32/81/27/1046328127.db2.gz NKBIKLNSYIFZRK-UHFFFAOYSA-N 1 2 340.430 4.371 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc4cc(O)ccc4c3)n2c1 ZINC000771858130 1046514004 /nfs/dbraw/zinc/51/40/04/1046514004.db2.gz GJXDULXWBFLMMY-VURMDHGXSA-N 1 2 328.371 4.398 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000536709320 1046719580 /nfs/dbraw/zinc/71/95/80/1046719580.db2.gz AVAZNHHKYIISCV-ZDUSSCGKSA-N 1 2 341.436 4.447 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000536709320 1046719595 /nfs/dbraw/zinc/71/95/95/1046719595.db2.gz AVAZNHHKYIISCV-ZDUSSCGKSA-N 1 2 341.436 4.447 20 30 EIEDLO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C#N)cc2)c1 ZINC000459475273 1046722599 /nfs/dbraw/zinc/72/25/99/1046722599.db2.gz ZNTZNLMMBOQKCX-UZLBHIALSA-N 1 2 349.434 4.008 20 30 EIEDLO Cc1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc(C)[nH+]1 ZINC001129857521 1046753886 /nfs/dbraw/zinc/75/38/86/1046753886.db2.gz ADSBEUMYCOENCB-UHFFFAOYSA-N 1 2 341.414 4.167 20 30 EIEDLO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592192 1046802676 /nfs/dbraw/zinc/80/26/76/1046802676.db2.gz MTPUSNNADQKWBP-MRXNPFEDSA-N 1 2 348.903 4.390 20 30 EIEDLO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592192 1046802680 /nfs/dbraw/zinc/80/26/80/1046802680.db2.gz MTPUSNNADQKWBP-MRXNPFEDSA-N 1 2 348.903 4.390 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1O ZINC000806149509 1047175034 /nfs/dbraw/zinc/17/50/34/1047175034.db2.gz UUCXHQDGFZKNMY-MRXNPFEDSA-N 1 2 330.815 4.167 20 30 EIEDLO Cc1cccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000194959786 1047890608 /nfs/dbraw/zinc/89/06/08/1047890608.db2.gz RIYBTWFAFBPGTM-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO Cc1cccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000194959786 1047890618 /nfs/dbraw/zinc/89/06/18/1047890618.db2.gz RIYBTWFAFBPGTM-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000763443163 1048022545 /nfs/dbraw/zinc/02/25/45/1048022545.db2.gz BPZDFKFTIOHCFF-UHFFFAOYSA-N 1 2 348.874 4.168 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763443163 1048022557 /nfs/dbraw/zinc/02/25/57/1048022557.db2.gz BPZDFKFTIOHCFF-UHFFFAOYSA-N 1 2 348.874 4.168 20 30 EIEDLO Cc1ccc(C2(O)CC[NH+](Cc3c(Cl)cccc3C#N)CC2)cc1 ZINC001143716583 1048162839 /nfs/dbraw/zinc/16/28/39/1048162839.db2.gz RZXHRRXVWFSFNY-UHFFFAOYSA-N 1 2 340.854 4.004 20 30 EIEDLO CCC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(N)c1 ZINC000814834236 1048193525 /nfs/dbraw/zinc/19/35/25/1048193525.db2.gz VKURPYDCMNSOPR-UHFFFAOYSA-N 1 2 332.791 4.365 20 30 EIEDLO CC(=[NH+]Nc1ccc(Br)c(F)c1)c1cc(N)ccc1F ZINC000814904894 1048226469 /nfs/dbraw/zinc/22/64/69/1048226469.db2.gz DAICUPUYTWMVQR-UHFFFAOYSA-N 1 2 340.171 4.146 20 30 EIEDLO CCOc1ccc(/C=[NH+]\C[C@@H](C)COCc2ccccc2)c(O)c1 ZINC000920175278 1048574743 /nfs/dbraw/zinc/57/47/43/1048574743.db2.gz USHGXMOTLKSHJR-RDPIHGLISA-N 1 2 327.424 4.063 20 30 EIEDLO CN(c1ccc(Nc2c(C#N)cccc2C#N)c[nH+]1)C1CCCCC1 ZINC001212614670 1048695971 /nfs/dbraw/zinc/69/59/71/1048695971.db2.gz UIRBJCXGFGAPLJ-UHFFFAOYSA-N 1 2 331.423 4.337 20 30 EIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1O ZINC000810250779 1048729474 /nfs/dbraw/zinc/72/94/74/1048729474.db2.gz KZOYRLOWWWTNGG-INIZCTEOSA-N 1 2 330.815 4.167 20 30 EIEDLO C[N@@H+](Cc1csc(Cl)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006581 1048784842 /nfs/dbraw/zinc/78/48/42/1048784842.db2.gz JLTORNMOXSCWSQ-CYBMUJFWSA-N 1 2 341.263 4.092 20 30 EIEDLO C[N@H+](Cc1csc(Cl)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006581 1048784853 /nfs/dbraw/zinc/78/48/53/1048784853.db2.gz JLTORNMOXSCWSQ-CYBMUJFWSA-N 1 2 341.263 4.092 20 30 EIEDLO C=C1CC=C(F)C=C1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171251376 1048891497 /nfs/dbraw/zinc/89/14/97/1048891497.db2.gz FZYCRMDBPXQWKB-YQQQUEKLSA-N 1 2 338.426 4.109 20 30 EIEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000846992088 1048971356 /nfs/dbraw/zinc/97/13/56/1048971356.db2.gz KCHXCEITJHLFIT-OAHLLOKOSA-N 1 2 335.411 4.322 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(-c2ccncc2)ccc1OC)c1ccc(F)cc1 ZINC000812792233 1049589967 /nfs/dbraw/zinc/58/99/67/1049589967.db2.gz QKEVRSMMLNGEIY-NRFANRHFSA-N 1 2 346.405 4.360 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793854 1049591311 /nfs/dbraw/zinc/59/13/11/1049591311.db2.gz HQDMXZOOXXRFSJ-MRXNPFEDSA-N 1 2 325.280 4.448 20 30 EIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc(Cl)c(N)c(Cl)c3)n21 ZINC000773159919 1049621791 /nfs/dbraw/zinc/62/17/91/1049621791.db2.gz KADVZLBSYAJMOQ-AATRIKPKSA-N 1 2 346.217 4.428 20 30 EIEDLO Nc1c(Cl)cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1Cl ZINC000773161418 1049621874 /nfs/dbraw/zinc/62/18/74/1049621874.db2.gz RTGWVKGVAUBYJV-PLNGDYQASA-N 1 2 332.190 4.119 20 30 EIEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248878245 1050082427 /nfs/dbraw/zinc/08/24/27/1050082427.db2.gz RIKRISDSDJMBCQ-NVXWUHKLSA-N 1 2 340.496 4.269 20 30 EIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248878245 1050082431 /nfs/dbraw/zinc/08/24/31/1050082431.db2.gz RIKRISDSDJMBCQ-NVXWUHKLSA-N 1 2 340.496 4.269 20 30 EIEDLO N#CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCCC1 ZINC001172900389 1050203120 /nfs/dbraw/zinc/20/31/20/1050203120.db2.gz SUWYDMBSHAINRY-KRWDZBQOSA-N 1 2 327.428 4.048 20 30 EIEDLO C=C(Br)C[NH2+]Cc1oc2ccccc2c1Br ZINC001177741889 1050292357 /nfs/dbraw/zinc/29/23/57/1050292357.db2.gz FQLXGJWVZOAOPA-UHFFFAOYSA-N 1 2 345.034 4.194 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1Br ZINC001137526281 1050382470 /nfs/dbraw/zinc/38/24/70/1050382470.db2.gz FFKWIPIVBSIGSH-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1Br ZINC001137526281 1050382485 /nfs/dbraw/zinc/38/24/85/1050382485.db2.gz FFKWIPIVBSIGSH-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO CC(C)(C#N)c1ccccc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092917988 1050488096 /nfs/dbraw/zinc/48/80/96/1050488096.db2.gz IYQATGRKDZLEKE-UHFFFAOYSA-N 1 2 344.340 4.300 20 30 EIEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000618807705 1050536629 /nfs/dbraw/zinc/53/66/29/1050536629.db2.gz VVUYSZNCTNTFFT-RTBURBONSA-N 1 2 326.390 4.402 20 30 EIEDLO COC(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccc1C#N ZINC001174384709 1050949683 /nfs/dbraw/zinc/94/96/83/1050949683.db2.gz KSSVMBVTPVUSCI-UHFFFAOYSA-N 1 2 334.379 4.019 20 30 EIEDLO N#Cc1c(F)c(F)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1F ZINC001174525349 1051020403 /nfs/dbraw/zinc/02/04/03/1051020403.db2.gz VGAQXBDAICVGSN-UHFFFAOYSA-N 1 2 332.329 4.104 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000775400502 1051227511 /nfs/dbraw/zinc/22/75/11/1051227511.db2.gz KJEFXCKRKRCASD-LJQANCHMSA-N 1 2 332.403 4.204 20 30 EIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001190706828 1051249687 /nfs/dbraw/zinc/24/96/87/1051249687.db2.gz BXAKFNOYJNCTKF-UHFFFAOYSA-N 1 2 332.762 4.023 20 30 EIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001190706828 1051249699 /nfs/dbraw/zinc/24/96/99/1051249699.db2.gz BXAKFNOYJNCTKF-UHFFFAOYSA-N 1 2 332.762 4.023 20 30 EIEDLO CCCCCCCCNC(=O)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001191076215 1051343530 /nfs/dbraw/zinc/34/35/30/1051343530.db2.gz AQTSIWAJMMWBGC-INIZCTEOSA-N 1 2 330.476 4.363 20 30 EIEDLO CCCCCCCCCCCCNC(=O)NCCc1[nH+]ccn1C ZINC001191860608 1051560702 /nfs/dbraw/zinc/56/07/02/1051560702.db2.gz MPKNBVVEGPNSIT-UHFFFAOYSA-N 1 2 336.524 4.183 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001183311422 1051823546 /nfs/dbraw/zinc/82/35/46/1051823546.db2.gz CSOHEMIALQQOLQ-HOCLYGCPSA-N 1 2 344.282 4.412 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001183311567 1051823619 /nfs/dbraw/zinc/82/36/19/1051823619.db2.gz DQYSJQGDADUBOZ-XJKSGUPXSA-N 1 2 343.389 4.124 20 30 EIEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001194019604 1052050549 /nfs/dbraw/zinc/05/05/49/1052050549.db2.gz OKSITJOVOBOQND-UHFFFAOYSA-N 1 2 347.434 4.267 20 30 EIEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001176832916 1052196097 /nfs/dbraw/zinc/19/60/97/1052196097.db2.gz MJAJGKUTVDTHPU-OAHLLOKOSA-N 1 2 345.240 4.092 20 30 EIEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001176832916 1052196098 /nfs/dbraw/zinc/19/60/98/1052196098.db2.gz MJAJGKUTVDTHPU-OAHLLOKOSA-N 1 2 345.240 4.092 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000180045886 1052774657 /nfs/dbraw/zinc/77/46/57/1052774657.db2.gz CWGSEZSEALJRIQ-IBGZPJMESA-N 1 2 333.435 4.458 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccccc2C(F)(F)F)s1 ZINC000794689942 1053312354 /nfs/dbraw/zinc/31/23/54/1053312354.db2.gz FBYYYFQDIGAJKK-FPLPWBNLSA-N 1 2 340.370 4.120 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000794690046 1053313272 /nfs/dbraw/zinc/31/32/72/1053313272.db2.gz GXWJKBPPEOLQAN-WAYWQWQTSA-N 1 2 341.263 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C2\CCc3ccc(Cl)cc3C2=O)s1 ZINC000794699147 1053327249 /nfs/dbraw/zinc/32/72/49/1053327249.db2.gz ANXMOWZMUYUWFE-KPKJPENVSA-N 1 2 332.856 4.071 20 30 EIEDLO COc1c(C)cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1Cl ZINC000794724264 1053338665 /nfs/dbraw/zinc/33/86/65/1053338665.db2.gz OYLRZZZQRURGAM-SREVYHEPSA-N 1 2 326.783 4.201 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C2/CC(C)(C)c3ccccc3C2=O)s1 ZINC000794714499 1053346417 /nfs/dbraw/zinc/34/64/17/1053346417.db2.gz RZBVIAFXORSHFT-LCYFTJDESA-N 1 2 326.465 4.152 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765025964 1053422664 /nfs/dbraw/zinc/42/26/64/1053422664.db2.gz AZUSMNQSIGVRII-HOCLYGCPSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765025964 1053422674 /nfs/dbraw/zinc/42/26/74/1053422674.db2.gz AZUSMNQSIGVRII-HOCLYGCPSA-N 1 2 342.512 4.263 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cc(F)c1F ZINC001196329842 1053640132 /nfs/dbraw/zinc/64/01/32/1053640132.db2.gz RTFKIQFGEKWFRD-BETUJISGSA-N 1 2 328.200 4.410 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cc(F)c1F ZINC001196329842 1053640149 /nfs/dbraw/zinc/64/01/49/1053640149.db2.gz RTFKIQFGEKWFRD-BETUJISGSA-N 1 2 328.200 4.410 20 30 EIEDLO C=CC1CC[NH+](Cn2nc(NC3CCCCC3)sc2=S)CC1 ZINC000111166397 1053653147 /nfs/dbraw/zinc/65/31/47/1053653147.db2.gz JPLMXLQIAUNCDC-UHFFFAOYSA-N 1 2 338.546 4.274 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(OC(F)F)c1 ZINC000866233446 1053659101 /nfs/dbraw/zinc/65/91/01/1053659101.db2.gz SMXFBBGJRNVYLZ-RYUDHWBXSA-N 1 2 332.350 4.277 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000111250796 1053670964 /nfs/dbraw/zinc/67/09/64/1053670964.db2.gz BCYZVEOOEUFIQQ-UHFFFAOYSA-N 1 2 338.451 4.043 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000111250796 1053670972 /nfs/dbraw/zinc/67/09/72/1053670972.db2.gz BCYZVEOOEUFIQQ-UHFFFAOYSA-N 1 2 338.451 4.043 20 30 EIEDLO C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc(C#N)c1O ZINC000866285038 1053679166 /nfs/dbraw/zinc/67/91/66/1053679166.db2.gz WAMVKMBXWMXRFL-RDTXWAMCSA-N 1 2 334.419 4.361 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc1C1CC1 ZINC000114445164 1054090593 /nfs/dbraw/zinc/09/05/93/1054090593.db2.gz XCSJRYJZIWIRNJ-LJQANCHMSA-N 1 2 344.528 4.257 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@]3(CC=CCC3)C2)nc1C1CC1 ZINC000114445164 1054090610 /nfs/dbraw/zinc/09/06/10/1054090610.db2.gz XCSJRYJZIWIRNJ-LJQANCHMSA-N 1 2 344.528 4.257 20 30 EIEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490474 1054161476 /nfs/dbraw/zinc/16/14/76/1054161476.db2.gz KCWYSINMNWETEQ-HOCLYGCPSA-N 1 2 341.480 4.096 20 30 EIEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490474 1054161491 /nfs/dbraw/zinc/16/14/91/1054161491.db2.gz KCWYSINMNWETEQ-HOCLYGCPSA-N 1 2 341.480 4.096 20 30 EIEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000876598013 1054934491 /nfs/dbraw/zinc/93/44/91/1054934491.db2.gz IOLNUCBORMQMKZ-ZDUSSCGKSA-N 1 2 329.831 4.198 20 30 EIEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000876598013 1054934500 /nfs/dbraw/zinc/93/45/00/1054934500.db2.gz IOLNUCBORMQMKZ-ZDUSSCGKSA-N 1 2 329.831 4.198 20 30 EIEDLO CCCCCCCCN1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001201840278 1054935210 /nfs/dbraw/zinc/93/52/10/1054935210.db2.gz RUYLCAWQLAFKBO-OAQYLSRUSA-N 1 2 332.532 4.352 20 30 EIEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000876650103 1054943695 /nfs/dbraw/zinc/94/36/95/1054943695.db2.gz NNVJHTGGJUPQGW-UHFFFAOYSA-N 1 2 347.890 4.168 20 30 EIEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Br)cc1F ZINC000862308096 1055048910 /nfs/dbraw/zinc/04/89/10/1055048910.db2.gz XMWFDHXZGKRCLH-UHFFFAOYSA-N 1 2 325.225 4.022 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000878553332 1055343970 /nfs/dbraw/zinc/34/39/70/1055343970.db2.gz JJNUZTDUWWIDAR-IBGZPJMESA-N 1 2 337.467 4.256 20 30 EIEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc2n1 ZINC000301361947 1055926352 /nfs/dbraw/zinc/92/63/52/1055926352.db2.gz MHFGJFZSPWMYNR-UHFFFAOYSA-N 1 2 343.434 4.104 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301609008 1055954400 /nfs/dbraw/zinc/95/44/00/1055954400.db2.gz AQFVEXPYTKWFCI-UHFFFAOYSA-N 1 2 346.356 4.184 20 30 EIEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000301630084 1055958297 /nfs/dbraw/zinc/95/82/97/1055958297.db2.gz ILPCHMVGJYZXJP-BEFAXECRSA-N 1 2 345.450 4.007 20 30 EIEDLO COc1c(C)c[nH+]c(CSc2nc3c(c(C)c2C#N)CCC3)c1C ZINC000554781891 1056207175 /nfs/dbraw/zinc/20/71/75/1056207175.db2.gz FLMLKAUCMCDZPL-UHFFFAOYSA-N 1 2 339.464 4.063 20 30 EIEDLO Cc1cc(C)c(NC(=O)CCCCOc2cccc(C#N)c2)c(C)[nH+]1 ZINC000110191638 1056583665 /nfs/dbraw/zinc/58/36/65/1056583665.db2.gz DHBDFKLOVSUOSY-UHFFFAOYSA-N 1 2 337.423 4.066 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(Br)c3)c[nH+]c12 ZINC000741465079 1058220591 /nfs/dbraw/zinc/22/05/91/1058220591.db2.gz SVELTJWZGCHUGE-FPLPWBNLSA-N 1 2 341.208 4.301 20 30 EIEDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2OCC#N)n1 ZINC000744402967 1059464511 /nfs/dbraw/zinc/46/45/11/1059464511.db2.gz KDPSJNAHBNLZDL-UHFFFAOYSA-N 1 2 335.860 4.032 20 30 EIEDLO Cc1cc(Cl)c(C)nc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001155851063 1059874346 /nfs/dbraw/zinc/87/43/46/1059874346.db2.gz AAXJBOUVVLYOFF-UHFFFAOYSA-N 1 2 327.737 4.408 20 30 EIEDLO C=C(C)C[N@@H+](Cc1nnc(-c2cccc(OC)c2)o1)Cc1ccccc1 ZINC001169952871 1061049090 /nfs/dbraw/zinc/04/90/90/1061049090.db2.gz LPDVPMWCGWATPK-UHFFFAOYSA-N 1 2 349.434 4.324 20 30 EIEDLO C=C(C)C[N@H+](Cc1nnc(-c2cccc(OC)c2)o1)Cc1ccccc1 ZINC001169952871 1061049104 /nfs/dbraw/zinc/04/91/04/1061049104.db2.gz LPDVPMWCGWATPK-UHFFFAOYSA-N 1 2 349.434 4.324 20 30 EIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533419599 1032747217 /nfs/dbraw/zinc/74/72/17/1032747217.db2.gz JIZBNCOTJXVKAT-QGZVFWFLSA-N 1 2 336.435 4.458 20 30 EIEDLO N#Cc1cc(Br)ccc1NCCCCNc1cccc[nH+]1 ZINC000302203669 1019339047 /nfs/dbraw/zinc/33/90/47/1019339047.db2.gz WCXHMSVYAKRBAY-UHFFFAOYSA-N 1 2 345.244 4.020 20 30 EIEDLO C=C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000155171153 1020311784 /nfs/dbraw/zinc/31/17/84/1020311784.db2.gz SVGZGSIBRAGWFI-LJQANCHMSA-N 1 2 349.478 4.048 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000177041295 1020950178 /nfs/dbraw/zinc/95/01/78/1020950178.db2.gz GFNDDEKPRPRLDF-HXUWFJFHSA-N 1 2 330.435 4.265 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000177041295 1020950183 /nfs/dbraw/zinc/95/01/83/1020950183.db2.gz GFNDDEKPRPRLDF-HXUWFJFHSA-N 1 2 330.435 4.265 20 30 EIEDLO Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(C#N)c1 ZINC001210565947 1021271255 /nfs/dbraw/zinc/27/12/55/1021271255.db2.gz OHNZOJDXXPSBEP-UHFFFAOYSA-N 1 2 327.185 4.021 20 30 EIEDLO C[NH+](C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000255194721 1021856927 /nfs/dbraw/zinc/85/69/27/1021856927.db2.gz LKIRVADZPRJHNM-WUQDTEKSSA-N 1 2 343.279 4.482 20 30 EIEDLO Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140794866 1022166007 /nfs/dbraw/zinc/16/60/07/1022166007.db2.gz CZIICOYJVQEMKE-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140794866 1022166023 /nfs/dbraw/zinc/16/60/23/1022166023.db2.gz CZIICOYJVQEMKE-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO N#Cc1csc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000084083509 1022659316 /nfs/dbraw/zinc/65/93/16/1022659316.db2.gz QBINVXFVORLSIA-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330213816 1022892853 /nfs/dbraw/zinc/89/28/53/1022892853.db2.gz FRKFFKNAZGGQJH-CYBMUJFWSA-N 1 2 348.859 4.073 20 30 EIEDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330213816 1022892855 /nfs/dbraw/zinc/89/28/55/1022892855.db2.gz FRKFFKNAZGGQJH-CYBMUJFWSA-N 1 2 348.859 4.073 20 30 EIEDLO Cc1cc2c(s1)N(c1ncccc1CC#N)c1ccccc1NC2=[NH2+] ZINC001167457075 1023090152 /nfs/dbraw/zinc/09/01/52/1023090152.db2.gz RJMJMKHZCIATKN-UHFFFAOYSA-N 1 2 345.431 4.338 20 30 EIEDLO Cc1cc(C)c(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(C)[nH+]1 ZINC000417143272 1023166879 /nfs/dbraw/zinc/16/68/79/1023166879.db2.gz SUMOAZAVTUIPDF-SFHVURJKSA-N 1 2 334.423 4.078 20 30 EIEDLO Cc1cc2c(s1)N(c1cccc(CC#N)n1)c1ccccc1NC2=[NH2+] ZINC001167463524 1023219380 /nfs/dbraw/zinc/21/93/80/1023219380.db2.gz VHBGDPQREUNZMD-UHFFFAOYSA-N 1 2 345.431 4.338 20 30 EIEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C)n1cc[nH+]c1 ZINC000584783272 1023314600 /nfs/dbraw/zinc/31/46/00/1023314600.db2.gz AAVRQQSKBJLDPX-AVGNSLFASA-N 1 2 342.468 4.092 20 30 EIEDLO COc1cccc(C2(F)CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000500174553 1023564076 /nfs/dbraw/zinc/56/40/76/1023564076.db2.gz VZGYNLTVRAILCJ-UHFFFAOYSA-N 1 2 342.389 4.167 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000276506907 1023613005 /nfs/dbraw/zinc/61/30/05/1023613005.db2.gz WXQISWFZIHIRLT-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000276506907 1023613011 /nfs/dbraw/zinc/61/30/11/1023613011.db2.gz WXQISWFZIHIRLT-UHFFFAOYSA-N 1 2 343.496 4.452 20 30 EIEDLO C=CCC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCCC1 ZINC000581768026 1023700864 /nfs/dbraw/zinc/70/08/64/1023700864.db2.gz PTESRLNHZSSFKJ-UHFFFAOYSA-N 1 2 334.423 4.369 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276690391 1023869788 /nfs/dbraw/zinc/86/97/88/1023869788.db2.gz MUDMXBBOAFIWFJ-INIZCTEOSA-N 1 2 330.476 4.015 20 30 EIEDLO CCOc1cc2[nH+]ccc(N(C)CC(C)(C)C#N)c2cc1OCC ZINC000432137335 1023894610 /nfs/dbraw/zinc/89/46/10/1023894610.db2.gz SRZITHJQRGLKJU-UHFFFAOYSA-N 1 2 327.428 4.018 20 30 EIEDLO Cc1cc(F)ncc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000891770404 1023967667 /nfs/dbraw/zinc/96/76/67/1023967667.db2.gz JAUCLUGCOZWEJT-QWRGUYRKSA-N 1 2 344.274 4.092 20 30 EIEDLO CCn1nc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137360 1024364598 /nfs/dbraw/zinc/36/45/98/1024364598.db2.gz HMMFTCJCQXLGDF-FPOVZHCZSA-N 1 2 344.462 4.328 20 30 EIEDLO CCn1nc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137360 1024364601 /nfs/dbraw/zinc/36/46/01/1024364601.db2.gz HMMFTCJCQXLGDF-FPOVZHCZSA-N 1 2 344.462 4.328 20 30 EIEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000053837367 1024949065 /nfs/dbraw/zinc/94/90/65/1024949065.db2.gz VTSUDLQZJKYIFS-HNNXBMFYSA-N 1 2 346.471 4.095 20 30 EIEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000053837367 1024949086 /nfs/dbraw/zinc/94/90/86/1024949086.db2.gz VTSUDLQZJKYIFS-HNNXBMFYSA-N 1 2 346.471 4.095 20 30 EIEDLO CC(C)COc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000342022619 1025039416 /nfs/dbraw/zinc/03/94/16/1025039416.db2.gz SUZQWMLPYBLNTI-UHFFFAOYSA-N 1 2 339.439 4.411 20 30 EIEDLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610864020 1025079507 /nfs/dbraw/zinc/07/95/07/1025079507.db2.gz NYIFFKAWMWMCMD-UONOGXRCSA-N 1 2 348.406 4.029 20 30 EIEDLO CCCCCCC[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000277401694 1025885018 /nfs/dbraw/zinc/88/50/18/1025885018.db2.gz RYGROEFWGOCXOJ-SFHVURJKSA-N 1 2 343.471 4.166 20 30 EIEDLO C=CC[C@@H](C(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277469450 1026124928 /nfs/dbraw/zinc/12/49/28/1026124928.db2.gz HCBNAWAEHDHRIP-LJQANCHMSA-N 1 2 339.483 4.044 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000551405740 1026168094 /nfs/dbraw/zinc/16/80/94/1026168094.db2.gz ABPXDFZVDHVNQV-UHFFFAOYSA-N 1 2 348.837 4.176 20 30 EIEDLO C=C1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000440713225 1027023035 /nfs/dbraw/zinc/02/30/35/1027023035.db2.gz NZLTXQOKAYXACJ-UHFFFAOYSA-N 1 2 332.447 4.102 20 30 EIEDLO Cc1cn2cc(NC(=O)[C@H](C)NC(=O)C3CCCCC3)ccc2[nH+]1 ZINC000328776118 1027806029 /nfs/dbraw/zinc/80/60/29/1027806029.db2.gz KURONQFBMFHTPP-ZDUSSCGKSA-N 1 2 328.416 4.156 20 30 EIEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1C=CCCC1 ZINC000328802944 1027817008 /nfs/dbraw/zinc/81/70/08/1027817008.db2.gz JUNONLFDQLLSTF-MRXNPFEDSA-N 1 2 334.423 4.036 20 30 EIEDLO CCC(CC)c1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)on1 ZINC000925155097 1027822508 /nfs/dbraw/zinc/82/25/08/1027822508.db2.gz GYULTTSMIXQPBJ-QGZVFWFLSA-N 1 2 327.428 4.396 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(F)c1C#N)CCC2 ZINC000428371449 1027882855 /nfs/dbraw/zinc/88/28/55/1027882855.db2.gz FJVKJVYSILETBN-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(F)c1C#N)CCC2 ZINC000428371449 1027882860 /nfs/dbraw/zinc/88/28/60/1027882860.db2.gz FJVKJVYSILETBN-MRXNPFEDSA-N 1 2 329.444 4.226 20 30 EIEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329823975 1028128814 /nfs/dbraw/zinc/12/88/14/1028128814.db2.gz QNPFTIYLEZRJGT-HZPDHXFCSA-N 1 2 330.476 4.006 20 30 EIEDLO C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548797992 1028835302 /nfs/dbraw/zinc/83/53/02/1028835302.db2.gz FQHLQDCMHJFELC-CQSZACIVSA-N 1 2 343.833 4.492 20 30 EIEDLO N#CCC[C@H](C#N)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000157667212 1029132935 /nfs/dbraw/zinc/13/29/35/1029132935.db2.gz OSBPBIKNWNLQGY-CYBMUJFWSA-N 1 2 342.830 4.104 20 30 EIEDLO C=CC[C@H](CC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000282021027 1029564262 /nfs/dbraw/zinc/56/42/62/1029564262.db2.gz SEDYTCUXTPFDNX-INIZCTEOSA-N 1 2 336.439 4.078 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)o2)c1 ZINC000441210718 1029707295 /nfs/dbraw/zinc/70/72/95/1029707295.db2.gz QOHLUCTYVNAYCK-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)o2)c1 ZINC000441210718 1029707310 /nfs/dbraw/zinc/70/73/10/1029707310.db2.gz QOHLUCTYVNAYCK-SFHVURJKSA-N 1 2 348.381 4.084 20 30 EIEDLO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191108 1030545452 /nfs/dbraw/zinc/54/54/52/1030545452.db2.gz MBDMMIDEOLFGMI-MSOLQXFVSA-N 1 2 349.478 4.007 20 30 EIEDLO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000103225710 1030863993 /nfs/dbraw/zinc/86/39/93/1030863993.db2.gz YFTVTKGJPDHIOD-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccc(C#N)cc1 ZINC000103225710 1030863998 /nfs/dbraw/zinc/86/39/98/1030863998.db2.gz YFTVTKGJPDHIOD-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO CCn1nccc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179385081 1031045665 /nfs/dbraw/zinc/04/56/65/1031045665.db2.gz RAVASCKDFZRTSF-UHFFFAOYSA-N 1 2 348.425 4.116 20 30 EIEDLO CCn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179385081 1031045682 /nfs/dbraw/zinc/04/56/82/1031045682.db2.gz RAVASCKDFZRTSF-UHFFFAOYSA-N 1 2 348.425 4.116 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000612162189 1031077564 /nfs/dbraw/zinc/07/75/64/1031077564.db2.gz HXNWCYOEXUMBIS-NRFANRHFSA-N 1 2 333.435 4.065 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000612162189 1031077588 /nfs/dbraw/zinc/07/75/88/1031077588.db2.gz HXNWCYOEXUMBIS-NRFANRHFSA-N 1 2 333.435 4.065 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449050052 1031401125 /nfs/dbraw/zinc/40/11/25/1031401125.db2.gz SUKLCDJQZHLUHU-LEWJYISDSA-N 1 2 334.467 4.270 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449050052 1031401132 /nfs/dbraw/zinc/40/11/32/1031401132.db2.gz SUKLCDJQZHLUHU-LEWJYISDSA-N 1 2 334.467 4.270 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406676 1031481119 /nfs/dbraw/zinc/48/11/19/1031481119.db2.gz REWHCVCIYNOGCC-IBGZPJMESA-N 1 2 342.874 4.268 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406676 1031481130 /nfs/dbraw/zinc/48/11/30/1031481130.db2.gz REWHCVCIYNOGCC-IBGZPJMESA-N 1 2 342.874 4.268 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475905912 1031804076 /nfs/dbraw/zinc/80/40/76/1031804076.db2.gz NIBKFDLHGUMFJO-QGZVFWFLSA-N 1 2 343.515 4.233 20 30 EIEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475905912 1031804079 /nfs/dbraw/zinc/80/40/79/1031804079.db2.gz NIBKFDLHGUMFJO-QGZVFWFLSA-N 1 2 343.515 4.233 20 30 EIEDLO CCOc1ccc(/C=[NH+]/CCc2nc(C(C)(C)C)cs2)c(O)c1 ZINC000729641422 1031824786 /nfs/dbraw/zinc/82/47/86/1031824786.db2.gz HRRBGNQDOLGFCB-YBFXNURJSA-N 1 2 332.469 4.207 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000509767890 1033394845 /nfs/dbraw/zinc/39/48/45/1033394845.db2.gz SONUGLGACYVROQ-SFHVURJKSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000509767890 1033394863 /nfs/dbraw/zinc/39/48/63/1033394863.db2.gz SONUGLGACYVROQ-SFHVURJKSA-N 1 2 344.462 4.190 20 30 EIEDLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)cc1F ZINC000512654234 1033625810 /nfs/dbraw/zinc/62/58/10/1033625810.db2.gz KLUZCPXFKIBBCJ-LLVKDONJSA-N 1 2 327.384 4.265 20 30 EIEDLO N#CCCC[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1ccccc1 ZINC000433017232 1033659502 /nfs/dbraw/zinc/65/95/02/1033659502.db2.gz XPJDZKXFZJGNHC-GOSISDBHSA-N 1 2 332.407 4.261 20 30 EIEDLO N#CCCC[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000433014352 1033673737 /nfs/dbraw/zinc/67/37/37/1033673737.db2.gz RYVCGAVCRDPPGC-LJQANCHMSA-N 1 2 346.434 4.185 20 30 EIEDLO CC[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@@H](C)C#N ZINC000509799691 1033996021 /nfs/dbraw/zinc/99/60/21/1033996021.db2.gz SQHMPNOWQVKYDQ-NSHDSACASA-N 1 2 325.239 4.251 20 30 EIEDLO CC[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@@H](C)C#N ZINC000509799691 1033996032 /nfs/dbraw/zinc/99/60/32/1033996032.db2.gz SQHMPNOWQVKYDQ-NSHDSACASA-N 1 2 325.239 4.251 20 30 EIEDLO CC(C)(CC#N)C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000419342183 1034366183 /nfs/dbraw/zinc/36/61/83/1034366183.db2.gz AHCOJPYMHZGECU-SFHVURJKSA-N 1 2 346.434 4.355 20 30 EIEDLO CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120545134 1034433061 /nfs/dbraw/zinc/43/30/61/1034433061.db2.gz KKJWSAUIBRWPRD-GFCCVEGCSA-N 1 2 347.871 4.122 20 30 EIEDLO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120545134 1034433076 /nfs/dbraw/zinc/43/30/76/1034433076.db2.gz KKJWSAUIBRWPRD-GFCCVEGCSA-N 1 2 347.871 4.122 20 30 EIEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1F ZINC000513087723 1034521851 /nfs/dbraw/zinc/52/18/51/1034521851.db2.gz CPLYKZUYOIBZJU-NSHDSACASA-N 1 2 333.204 4.311 20 30 EIEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181892 1034639118 /nfs/dbraw/zinc/63/91/18/1034639118.db2.gz UVXCBJGITZHMLQ-NEPJUHHUSA-N 1 2 332.835 4.369 20 30 EIEDLO C=CCOc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000513416233 1034933746 /nfs/dbraw/zinc/93/37/46/1034933746.db2.gz MNZNJKRFQAVEDI-UHFFFAOYSA-N 1 2 333.435 4.177 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000513416233 1034933753 /nfs/dbraw/zinc/93/37/53/1034933753.db2.gz MNZNJKRFQAVEDI-UHFFFAOYSA-N 1 2 333.435 4.177 20 30 EIEDLO N#C[C@H](c1ccc(Cl)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000595423636 1035676277 /nfs/dbraw/zinc/67/62/77/1035676277.db2.gz FIBJHZGPZRQUGQ-LJQANCHMSA-N 1 2 342.874 4.294 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595616631 1035737266 /nfs/dbraw/zinc/73/72/66/1035737266.db2.gz SDJRQJMCXMKEJZ-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595616631 1035737288 /nfs/dbraw/zinc/73/72/88/1035737288.db2.gz SDJRQJMCXMKEJZ-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595616628 1035737697 /nfs/dbraw/zinc/73/76/97/1035737697.db2.gz SDJRQJMCXMKEJZ-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595616628 1035737717 /nfs/dbraw/zinc/73/77/17/1035737717.db2.gz SDJRQJMCXMKEJZ-KRWDZBQOSA-N 1 2 349.434 4.043 20 30 EIEDLO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595609371 1035748547 /nfs/dbraw/zinc/74/85/47/1035748547.db2.gz IZJRFQVUFUXOFG-MRXNPFEDSA-N 1 2 325.481 4.498 20 30 EIEDLO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595609371 1035748572 /nfs/dbraw/zinc/74/85/72/1035748572.db2.gz IZJRFQVUFUXOFG-MRXNPFEDSA-N 1 2 325.481 4.498 20 30 EIEDLO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595711568 1035772317 /nfs/dbraw/zinc/77/23/17/1035772317.db2.gz IJTWCWJNQZDCIN-CYBMUJFWSA-N 1 2 340.393 4.352 20 30 EIEDLO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595711568 1035772346 /nfs/dbraw/zinc/77/23/46/1035772346.db2.gz IJTWCWJNQZDCIN-CYBMUJFWSA-N 1 2 340.393 4.352 20 30 EIEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000597228586 1036162949 /nfs/dbraw/zinc/16/29/49/1036162949.db2.gz DOPYCCJCGNRZLC-NRFANRHFSA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000597228586 1036162959 /nfs/dbraw/zinc/16/29/59/1036162959.db2.gz DOPYCCJCGNRZLC-NRFANRHFSA-N 1 2 336.435 4.010 20 30 EIEDLO CC(C)C[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000602162571 1036345459 /nfs/dbraw/zinc/34/54/59/1036345459.db2.gz YMNGURUZZAUEQC-RTBURBONSA-N 1 2 338.455 4.022 20 30 EIEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815724 1036733986 /nfs/dbraw/zinc/73/39/86/1036733986.db2.gz MKNFPVRIGSPHFP-YWZLYKJASA-N 1 2 329.488 4.033 20 30 EIEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815724 1036733994 /nfs/dbraw/zinc/73/39/94/1036733994.db2.gz MKNFPVRIGSPHFP-YWZLYKJASA-N 1 2 329.488 4.033 20 30 EIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OC(F)(F)F ZINC000603444277 1036834699 /nfs/dbraw/zinc/83/46/99/1036834699.db2.gz XLAMTORIARVDBC-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OC(F)(F)F ZINC000603444277 1036834703 /nfs/dbraw/zinc/83/47/03/1036834703.db2.gz XLAMTORIARVDBC-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1Cl ZINC000486880614 1036881605 /nfs/dbraw/zinc/88/16/05/1036881605.db2.gz MQKXARFTCPSGIV-STQMWFEESA-N 1 2 348.878 4.387 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000589820922 1036882473 /nfs/dbraw/zinc/88/24/73/1036882473.db2.gz ICUVKFZPUDWEQH-UHFFFAOYSA-N 1 2 331.394 4.468 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000589820922 1036882477 /nfs/dbraw/zinc/88/24/77/1036882477.db2.gz ICUVKFZPUDWEQH-UHFFFAOYSA-N 1 2 331.394 4.468 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856559 1037051232 /nfs/dbraw/zinc/05/12/32/1037051232.db2.gz DIWUEPCVNXJNNF-OAHLLOKOSA-N 1 2 347.890 4.018 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603856559 1037051247 /nfs/dbraw/zinc/05/12/47/1037051247.db2.gz DIWUEPCVNXJNNF-OAHLLOKOSA-N 1 2 347.890 4.018 20 30 EIEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679370 1037131228 /nfs/dbraw/zinc/13/12/28/1037131228.db2.gz QQSWHWBJTLMHCI-UHFFFAOYSA-N 1 2 349.459 4.336 20 30 EIEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679370 1037131242 /nfs/dbraw/zinc/13/12/42/1037131242.db2.gz QQSWHWBJTLMHCI-UHFFFAOYSA-N 1 2 349.459 4.336 20 30 EIEDLO COc1cccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F ZINC000669709211 1037177043 /nfs/dbraw/zinc/17/70/43/1037177043.db2.gz RKVMTXQOHYRZKO-UWVGGRQHSA-N 1 2 345.258 4.007 20 30 EIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272599368 1037235920 /nfs/dbraw/zinc/23/59/20/1037235920.db2.gz QSCPXJDEOJGVLM-JKSUJKDBSA-N 1 2 327.472 4.153 20 30 EIEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000272626806 1037253222 /nfs/dbraw/zinc/25/32/22/1037253222.db2.gz VREKAAPCKCCZLN-UHFFFAOYSA-N 1 2 349.434 4.043 20 30 EIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422215838 1037608304 /nfs/dbraw/zinc/60/83/04/1037608304.db2.gz USJMEMCEOHZERM-UHFFFAOYSA-N 1 2 349.887 4.311 20 30 EIEDLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1ccncc1C#N ZINC000592103174 1037731771 /nfs/dbraw/zinc/73/17/71/1037731771.db2.gz DCMIFRPBRUNOPU-GOSISDBHSA-N 1 2 343.858 4.492 20 30 EIEDLO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccc(C#N)c1 ZINC000063299700 1038209941 /nfs/dbraw/zinc/20/99/41/1038209941.db2.gz LLXXSAZVYAEYOG-UHFFFAOYSA-N 1 2 336.826 4.048 20 30 EIEDLO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccc(C#N)c1 ZINC000063299700 1038209959 /nfs/dbraw/zinc/20/99/59/1038209959.db2.gz LLXXSAZVYAEYOG-UHFFFAOYSA-N 1 2 336.826 4.048 20 30 EIEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594496022 1038344806 /nfs/dbraw/zinc/34/48/06/1038344806.db2.gz XHKOBSHAGVLYRG-FQEVSTJZSA-N 1 2 344.462 4.100 20 30 EIEDLO Cc1cc(N2CCC(C#N)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000116870631 1038779778 /nfs/dbraw/zinc/77/97/78/1038779778.db2.gz QITSQQINZXDSJR-UHFFFAOYSA-N 1 2 335.329 4.182 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000156911478 1039082988 /nfs/dbraw/zinc/08/29/88/1039082988.db2.gz OXDSNUQGSKLRGN-GFCCVEGCSA-N 1 2 344.871 4.450 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000156911478 1039083004 /nfs/dbraw/zinc/08/30/04/1039083004.db2.gz OXDSNUQGSKLRGN-GFCCVEGCSA-N 1 2 344.871 4.450 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000093091006 1039630722 /nfs/dbraw/zinc/63/07/22/1039630722.db2.gz IYJGYTRIPZSEHA-AWEZNQCLSA-N 1 2 341.842 4.326 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000093091006 1039630736 /nfs/dbraw/zinc/63/07/36/1039630736.db2.gz IYJGYTRIPZSEHA-AWEZNQCLSA-N 1 2 341.842 4.326 20 30 EIEDLO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(N2CCCC2)[nH+]c1 ZINC000481996192 1039957595 /nfs/dbraw/zinc/95/75/95/1039957595.db2.gz BHZLAXQCAJYRJK-HXUWFJFHSA-N 1 2 332.451 4.433 20 30 EIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000553297186 1040101811 /nfs/dbraw/zinc/10/18/11/1040101811.db2.gz JKKPMHNPAZTNQB-UHFFFAOYSA-N 1 2 327.476 4.269 20 30 EIEDLO C=CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479541202 1040446105 /nfs/dbraw/zinc/44/61/05/1040446105.db2.gz MCMKOAPYCJIWOW-MRXNPFEDSA-N 1 2 338.854 4.089 20 30 EIEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(C)C ZINC000539865481 1040854931 /nfs/dbraw/zinc/85/49/31/1040854931.db2.gz XRAWRRLRTXDOSE-INIZCTEOSA-N 1 2 330.472 4.244 20 30 EIEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(C)C ZINC000539865481 1040854936 /nfs/dbraw/zinc/85/49/36/1040854936.db2.gz XRAWRRLRTXDOSE-INIZCTEOSA-N 1 2 330.472 4.244 20 30 EIEDLO Cc1cccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425531376 1041173098 /nfs/dbraw/zinc/17/30/98/1041173098.db2.gz HHDMILSCFCBVCP-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425531376 1041173113 /nfs/dbraw/zinc/17/31/13/1041173113.db2.gz HHDMILSCFCBVCP-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000554847697 1041442626 /nfs/dbraw/zinc/44/26/26/1041442626.db2.gz CANFDNQAFDMZQK-CQSZACIVSA-N 1 2 333.391 4.073 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000506046926 1041789211 /nfs/dbraw/zinc/78/92/11/1041789211.db2.gz DXXRTAMBJXYTCP-UHFFFAOYSA-N 1 2 327.653 4.228 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c1C ZINC000437493197 1041821065 /nfs/dbraw/zinc/82/10/65/1041821065.db2.gz DZRUYMLLMDSHLH-UHFFFAOYSA-N 1 2 342.405 4.138 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c1C ZINC000437493197 1041821067 /nfs/dbraw/zinc/82/10/67/1041821067.db2.gz DZRUYMLLMDSHLH-UHFFFAOYSA-N 1 2 342.405 4.138 20 30 EIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccco1 ZINC000443986458 1042728722 /nfs/dbraw/zinc/72/87/22/1042728722.db2.gz IXXMJGLGQMQURZ-NRFANRHFSA-N 1 2 332.403 4.348 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727823675 1043317305 /nfs/dbraw/zinc/31/73/05/1043317305.db2.gz APPYIMVWNBCHQA-KRWDZBQOSA-N 1 2 342.512 4.023 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727823675 1043317309 /nfs/dbraw/zinc/31/73/09/1043317309.db2.gz APPYIMVWNBCHQA-KRWDZBQOSA-N 1 2 342.512 4.023 20 30 EIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccccc1 ZINC000187314717 1043339947 /nfs/dbraw/zinc/33/99/47/1043339947.db2.gz ORIKHEMONUXNRI-UHFFFAOYSA-N 1 2 336.464 4.435 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cccs1 ZINC000019540399 1043499119 /nfs/dbraw/zinc/49/91/19/1043499119.db2.gz WWHXHONYWXTVSW-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cccs1 ZINC000019540399 1043499126 /nfs/dbraw/zinc/49/91/26/1043499126.db2.gz WWHXHONYWXTVSW-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC(C)C)CC2)c1=S ZINC000730565736 1043558882 /nfs/dbraw/zinc/55/88/82/1043558882.db2.gz ZLGDCDVWDHDCHQ-UHFFFAOYSA-N 1 2 345.512 4.205 20 30 EIEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N2CCCCCC2)cc1 ZINC000731317936 1043737946 /nfs/dbraw/zinc/73/79/46/1043737946.db2.gz GHDQAIAMTODGGI-UHFFFAOYSA-N 1 2 326.419 4.437 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000192030424 1043862008 /nfs/dbraw/zinc/86/20/08/1043862008.db2.gz LJSXPMVVWJXDCX-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000192030424 1043862011 /nfs/dbraw/zinc/86/20/11/1043862011.db2.gz LJSXPMVVWJXDCX-UHFFFAOYSA-N 1 2 340.242 4.014 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000732184900 1043883721 /nfs/dbraw/zinc/88/37/21/1043883721.db2.gz YHQFQNYZJAMIKB-MRXNPFEDSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000732184900 1043883724 /nfs/dbraw/zinc/88/37/24/1043883724.db2.gz YHQFQNYZJAMIKB-MRXNPFEDSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000732663004 1043981998 /nfs/dbraw/zinc/98/19/98/1043981998.db2.gz IOJUGTVMUFXROJ-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000732663004 1043982016 /nfs/dbraw/zinc/98/20/16/1043982016.db2.gz IOJUGTVMUFXROJ-UHFFFAOYSA-N 1 2 342.512 4.265 20 30 EIEDLO N#CC1CC[NH+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)CC1 ZINC000732978760 1044057153 /nfs/dbraw/zinc/05/71/53/1044057153.db2.gz QPZHGIQBUPWHKP-UHFFFAOYSA-N 1 2 335.238 4.050 20 30 EIEDLO CC(C)c1ccc(OC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000522138000 1044272384 /nfs/dbraw/zinc/27/23/84/1044272384.db2.gz ZDWJNYREAYBTJS-KRWDZBQOSA-N 1 2 325.456 4.097 20 30 EIEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@@H+]1CCc2ccccc2C1 ZINC000914557570 1044481591 /nfs/dbraw/zinc/48/15/91/1044481591.db2.gz SPTZKHWGAIBICT-SRZZPIQSSA-N 1 2 349.261 4.176 20 30 EIEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@H+]1CCc2ccccc2C1 ZINC000914557570 1044481610 /nfs/dbraw/zinc/48/16/10/1044481610.db2.gz SPTZKHWGAIBICT-SRZZPIQSSA-N 1 2 349.261 4.176 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000494949014 1044529879 /nfs/dbraw/zinc/52/98/79/1044529879.db2.gz LCRMKCDQDCAQDH-LBPRGKRZSA-N 1 2 348.372 4.220 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000494949014 1044529893 /nfs/dbraw/zinc/52/98/93/1044529893.db2.gz LCRMKCDQDCAQDH-LBPRGKRZSA-N 1 2 348.372 4.220 20 30 EIEDLO CCOCCCn1c(NCc2csc(C#N)c2)[nH+]c2ccccc21 ZINC000922329836 1044546255 /nfs/dbraw/zinc/54/62/55/1044546255.db2.gz VRNDKYHTTIMQCL-UHFFFAOYSA-N 1 2 340.452 4.008 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474157614 1044722354 /nfs/dbraw/zinc/72/23/54/1044722354.db2.gz KIWYIVQQCQECSK-VIFPVBQESA-N 1 2 335.167 4.059 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474157614 1044722368 /nfs/dbraw/zinc/72/23/68/1044722368.db2.gz KIWYIVQQCQECSK-VIFPVBQESA-N 1 2 335.167 4.059 20 30 EIEDLO Cc1c(Cl)cccc1N[NH+]=Cc1sc(N(C)C)nc1Cl ZINC000915051471 1045010630 /nfs/dbraw/zinc/01/06/30/1045010630.db2.gz WDSJWZPIKCEDTQ-UHFFFAOYSA-N 1 2 329.256 4.270 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738098312 1045034039 /nfs/dbraw/zinc/03/40/39/1045034039.db2.gz HXYOKLODIWIETM-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738098312 1045034054 /nfs/dbraw/zinc/03/40/54/1045034054.db2.gz HXYOKLODIWIETM-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO CC[C@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739926331 1045175685 /nfs/dbraw/zinc/17/56/85/1045175685.db2.gz DEWOJOIDEKACDY-GJZGRUSLSA-N 1 2 341.480 4.127 20 30 EIEDLO CCCCCCCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000915698714 1045451284 /nfs/dbraw/zinc/45/12/84/1045451284.db2.gz DDZUKQZRYPKUOM-UHFFFAOYSA-N 1 2 346.519 4.100 20 30 EIEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455482581 1045693079 /nfs/dbraw/zinc/69/30/79/1045693079.db2.gz PJWABUPIPVOACF-UHFFFAOYSA-N 1 2 334.423 4.099 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N/C1CCN(c2cccc[nH+]2)CC1 ZINC000915978775 1045849816 /nfs/dbraw/zinc/84/98/16/1045849816.db2.gz JOARDSRWTAENHU-HZHRSRAPSA-N 1 2 331.419 4.028 20 30 EIEDLO Clc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)cn1 ZINC000763364058 1045963146 /nfs/dbraw/zinc/96/31/46/1045963146.db2.gz OSUDWBQWQASNMF-UHFFFAOYSA-N 1 2 335.238 4.435 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000916262491 1045974660 /nfs/dbraw/zinc/97/46/60/1045974660.db2.gz NGJIPWDDMFONSB-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO COc1ccccc1-n1c[nH+]c2cc(NCC(C)(C)S)ccc21 ZINC001170309511 1046009004 /nfs/dbraw/zinc/00/90/04/1046009004.db2.gz UYCYNRVTTHNJKR-UHFFFAOYSA-N 1 2 327.453 4.154 20 30 EIEDLO CO/[NH+]=C/c1cc(NC2CC(C)(C)OC(C)(C)C2)cc(F)c1F ZINC001170363241 1046016015 /nfs/dbraw/zinc/01/60/15/1046016015.db2.gz VUSYUMHILUONLD-KEBDBYFISA-N 1 2 326.387 4.093 20 30 EIEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001170379082 1046032799 /nfs/dbraw/zinc/03/27/99/1046032799.db2.gz PSBUNZVUXJKIKI-AOCRQIFASA-N 1 2 336.401 4.317 20 30 EIEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001170379082 1046032815 /nfs/dbraw/zinc/03/28/15/1046032815.db2.gz PSBUNZVUXJKIKI-AOCRQIFASA-N 1 2 336.401 4.317 20 30 EIEDLO CCCCCCCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770103117 1046144314 /nfs/dbraw/zinc/14/43/14/1046144314.db2.gz OAGKIOGUESDJRK-KRWDZBQOSA-N 1 2 334.508 4.060 20 30 EIEDLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000770392819 1046192430 /nfs/dbraw/zinc/19/24/30/1046192430.db2.gz VQIGXGSQHGDCJR-SFHVURJKSA-N 1 2 340.492 4.491 20 30 EIEDLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000770392819 1046192421 /nfs/dbraw/zinc/19/24/21/1046192421.db2.gz VQIGXGSQHGDCJR-SFHVURJKSA-N 1 2 340.492 4.491 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(Cc2ccccc2C)o1 ZINC000124452455 1046239030 /nfs/dbraw/zinc/23/90/30/1046239030.db2.gz NWBBXBMJWWCYEX-UHFFFAOYSA-N 1 2 347.462 4.200 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(Cc2ccccc2C)o1 ZINC000124452455 1046239050 /nfs/dbraw/zinc/23/90/50/1046239050.db2.gz NWBBXBMJWWCYEX-UHFFFAOYSA-N 1 2 347.462 4.200 20 30 EIEDLO C=C(C)COCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124510511 1046242185 /nfs/dbraw/zinc/24/21/85/1046242185.db2.gz RMOTYFLCWQBADL-LJQANCHMSA-N 1 2 349.434 4.008 20 30 EIEDLO N#Cc1cccc([C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CCO2)c1 ZINC000804580681 1046637722 /nfs/dbraw/zinc/63/77/22/1046637722.db2.gz AXDCPKWMSTWPQL-IBGZPJMESA-N 1 2 349.821 4.338 20 30 EIEDLO COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668525 1046643530 /nfs/dbraw/zinc/64/35/30/1046643530.db2.gz IQWPUBVYGIBIKX-NRYVHIMPSA-N 1 2 332.447 4.480 20 30 EIEDLO COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668525 1046643541 /nfs/dbraw/zinc/64/35/41/1046643541.db2.gz IQWPUBVYGIBIKX-NRYVHIMPSA-N 1 2 332.447 4.480 20 30 EIEDLO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c(OCc2ccccc2)n1 ZINC000459480281 1046707749 /nfs/dbraw/zinc/70/77/49/1046707749.db2.gz OXZYUBHVUOBVFZ-QUCCMNQESA-N 1 2 335.451 4.059 20 30 EIEDLO NC(=[NH+]OCc1c(Cl)ccc2cccnc21)c1ccc(Cl)cc1 ZINC000917394371 1046861628 /nfs/dbraw/zinc/86/16/28/1046861628.db2.gz MWVSCKULVWKWTP-UHFFFAOYSA-N 1 2 346.217 4.379 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746637114 1046911689 /nfs/dbraw/zinc/91/16/89/1046911689.db2.gz LONXQNCHXOZVHK-UHFFFAOYSA-N 1 2 334.514 4.018 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746637114 1046911702 /nfs/dbraw/zinc/91/17/02/1046911702.db2.gz LONXQNCHXOZVHK-UHFFFAOYSA-N 1 2 334.514 4.018 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746664144 1046961029 /nfs/dbraw/zinc/96/10/29/1046961029.db2.gz YAFABOKIIZOPGD-UHFFFAOYSA-N 1 2 341.798 4.308 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746664144 1046961044 /nfs/dbraw/zinc/96/10/44/1046961044.db2.gz YAFABOKIIZOPGD-UHFFFAOYSA-N 1 2 341.798 4.308 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)cc1 ZINC000746669533 1046981910 /nfs/dbraw/zinc/98/19/10/1046981910.db2.gz DDPWVNLZUFMORE-ZWKOTPCHSA-N 1 2 347.462 4.207 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)cc1 ZINC000746669533 1046981887 /nfs/dbraw/zinc/98/18/87/1046981887.db2.gz DDPWVNLZUFMORE-ZWKOTPCHSA-N 1 2 347.462 4.207 20 30 EIEDLO C=CCC1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000788249593 1047144024 /nfs/dbraw/zinc/14/40/24/1047144024.db2.gz TXEMYRQVRGNHDP-MRXNPFEDSA-N 1 2 341.499 4.177 20 30 EIEDLO C=CCC1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000788249593 1047144013 /nfs/dbraw/zinc/14/40/13/1047144013.db2.gz TXEMYRQVRGNHDP-MRXNPFEDSA-N 1 2 341.499 4.177 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182081 1047621935 /nfs/dbraw/zinc/62/19/35/1047621935.db2.gz PRNXIMHMBSQEBY-FQEVSTJZSA-N 1 2 349.478 4.027 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808182081 1047621936 /nfs/dbraw/zinc/62/19/36/1047621936.db2.gz PRNXIMHMBSQEBY-FQEVSTJZSA-N 1 2 349.478 4.027 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cc(Br)ccc1F ZINC000130387399 1047660631 /nfs/dbraw/zinc/66/06/31/1047660631.db2.gz HMILZWTUXNSQBJ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cc(Br)ccc1F ZINC000130387399 1047660635 /nfs/dbraw/zinc/66/06/35/1047660635.db2.gz HMILZWTUXNSQBJ-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000499047368 1048096471 /nfs/dbraw/zinc/09/64/71/1048096471.db2.gz CZDUTOAGXZYENG-CQSZACIVSA-N 1 2 346.521 4.485 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000499047368 1048096479 /nfs/dbraw/zinc/09/64/79/1048096479.db2.gz CZDUTOAGXZYENG-CQSZACIVSA-N 1 2 346.521 4.485 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000499055031 1048132449 /nfs/dbraw/zinc/13/24/49/1048132449.db2.gz LTKQYVUNYVEKNT-OAHLLOKOSA-N 1 2 328.481 4.326 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000499055031 1048132452 /nfs/dbraw/zinc/13/24/52/1048132452.db2.gz LTKQYVUNYVEKNT-OAHLLOKOSA-N 1 2 328.481 4.326 20 30 EIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC001143723075 1048174621 /nfs/dbraw/zinc/17/46/21/1048174621.db2.gz MFSOTIKFFWEBLA-UHFFFAOYSA-N 1 2 340.854 4.393 20 30 EIEDLO CC1(C)CC(=[NH+]Nc2cccc3ncccc32)c2cc(N)ccc2O1 ZINC000814804238 1048187854 /nfs/dbraw/zinc/18/78/54/1048187854.db2.gz GMBHRLDLZJDZNA-UHFFFAOYSA-N 1 2 332.407 4.194 20 30 EIEDLO CC(C)[Si](C#C[NH2+][C@H]1NC(=O)c2ccccc21)(C(C)C)C(C)C ZINC001171125246 1048335997 /nfs/dbraw/zinc/33/59/97/1048335997.db2.gz HCACKLIFRMUEKB-SFHVURJKSA-N 1 2 328.532 4.197 20 30 EIEDLO C#CCC1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCCC1 ZINC000809403852 1048355874 /nfs/dbraw/zinc/35/58/74/1048355874.db2.gz LXXAVQCLQTXOLG-UHFFFAOYSA-N 1 2 332.407 4.148 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(Cl)cc1F ZINC000809699614 1048461831 /nfs/dbraw/zinc/46/18/31/1048461831.db2.gz QWUICADPDVWJTJ-KRWDZBQOSA-N 1 2 347.817 4.269 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1F ZINC000809700139 1048465236 /nfs/dbraw/zinc/46/52/36/1048465236.db2.gz YCRVLAFPFWIMFF-KRWDZBQOSA-N 1 2 334.797 4.148 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)nc(Cl)c1 ZINC000809705150 1048487115 /nfs/dbraw/zinc/48/71/15/1048487115.db2.gz ODADFHKIYORLRP-UHFFFAOYSA-N 1 2 332.879 4.399 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)nc(Cl)c1 ZINC000809705150 1048487144 /nfs/dbraw/zinc/48/71/44/1048487144.db2.gz ODADFHKIYORLRP-UHFFFAOYSA-N 1 2 332.879 4.399 20 30 EIEDLO CCOC(=O)c1[nH]ccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001144333753 1048597595 /nfs/dbraw/zinc/59/75/95/1048597595.db2.gz IUPJJQAYASENGA-UHFFFAOYSA-N 1 2 331.460 4.020 20 30 EIEDLO CCOC(=O)c1[nH]ccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001144333753 1048597607 /nfs/dbraw/zinc/59/76/07/1048597607.db2.gz IUPJJQAYASENGA-UHFFFAOYSA-N 1 2 331.460 4.020 20 30 EIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144520214 1048706631 /nfs/dbraw/zinc/70/66/31/1048706631.db2.gz LVYFSWHJZVRHOK-UHFFFAOYSA-N 1 2 345.368 4.158 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000921049940 1048845006 /nfs/dbraw/zinc/84/50/06/1048845006.db2.gz LKXVZAVYNMAVGG-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000921049940 1048845011 /nfs/dbraw/zinc/84/50/11/1048845011.db2.gz LKXVZAVYNMAVGG-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001171230695 1048869353 /nfs/dbraw/zinc/86/93/53/1048869353.db2.gz GCAYSIJQBRTYEI-YWZLYKJASA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001171230695 1048869355 /nfs/dbraw/zinc/86/93/55/1048869355.db2.gz GCAYSIJQBRTYEI-YWZLYKJASA-N 1 2 340.854 4.216 20 30 EIEDLO C=CCCC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC001132945804 1049208336 /nfs/dbraw/zinc/20/83/36/1049208336.db2.gz CQJBVSUGBWEZEW-HXUWFJFHSA-N 1 2 347.462 4.399 20 30 EIEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170919497 1049240796 /nfs/dbraw/zinc/24/07/96/1049240796.db2.gz KVFSJLUWFGLQSD-QGZVFWFLSA-N 1 2 325.843 4.008 20 30 EIEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170919497 1049240814 /nfs/dbraw/zinc/24/08/14/1049240814.db2.gz KVFSJLUWFGLQSD-QGZVFWFLSA-N 1 2 325.843 4.008 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Cl)c1cccc(N2CCOCC2)c1 ZINC000812376787 1049453139 /nfs/dbraw/zinc/45/31/39/1049453139.db2.gz QZBRQAZFZCRISI-UHFFFAOYSA-N 1 2 329.831 4.013 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2cccs2)s1)c1ccc(F)cc1 ZINC000812793189 1049589036 /nfs/dbraw/zinc/58/90/36/1049589036.db2.gz ODJYIPVICHBIQN-HNNXBMFYSA-N 1 2 328.437 4.475 20 30 EIEDLO Cc1cccc2c1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171551781 1049754185 /nfs/dbraw/zinc/75/41/85/1049754185.db2.gz RTHOCLLQNVCXCE-NSHDSACASA-N 1 2 343.286 4.275 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001171791450 1049804993 /nfs/dbraw/zinc/80/49/93/1049804993.db2.gz LDJIVZYMVLDQKD-UHFFFAOYSA-N 1 2 344.414 4.385 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001171791450 1049804995 /nfs/dbraw/zinc/80/49/95/1049804995.db2.gz LDJIVZYMVLDQKD-UHFFFAOYSA-N 1 2 344.414 4.385 20 30 EIEDLO CC(C)CC[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301768 1049873326 /nfs/dbraw/zinc/87/33/26/1049873326.db2.gz WLYOMLFMTSZXHG-LPHOPBHVSA-N 1 2 344.499 4.225 20 30 EIEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173538618 1050472424 /nfs/dbraw/zinc/47/24/24/1050472424.db2.gz HTKOAQWFIRNBRJ-XHDPSFHLSA-N 1 2 330.255 4.022 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000618820095 1050541781 /nfs/dbraw/zinc/54/17/81/1050541781.db2.gz ZUEAEEYKXLLTNQ-QGZVFWFLSA-N 1 2 348.372 4.221 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000618820095 1050541790 /nfs/dbraw/zinc/54/17/90/1050541790.db2.gz ZUEAEEYKXLLTNQ-QGZVFWFLSA-N 1 2 348.372 4.221 20 30 EIEDLO C=CCOc1cccc(CNc2[nH+]c3cc(Cl)ccc3n2C)c1 ZINC001179809548 1050783155 /nfs/dbraw/zinc/78/31/55/1050783155.db2.gz BSCIWPWUCZESND-UHFFFAOYSA-N 1 2 327.815 4.404 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC001179879166 1050814998 /nfs/dbraw/zinc/81/49/98/1050814998.db2.gz XPIGKSFZLUXZKA-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001180203616 1050914161 /nfs/dbraw/zinc/91/41/61/1050914161.db2.gz WBQCSPJROWKOIU-UHFFFAOYSA-N 1 2 331.463 4.124 20 30 EIEDLO C#CC[N@H+](CC#CC)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001180203616 1050914177 /nfs/dbraw/zinc/91/41/77/1050914177.db2.gz WBQCSPJROWKOIU-UHFFFAOYSA-N 1 2 331.463 4.124 20 30 EIEDLO COC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(C#N)c1 ZINC001174385680 1050950214 /nfs/dbraw/zinc/95/02/14/1050950214.db2.gz UCINFVXJBNSQQX-UHFFFAOYSA-N 1 2 334.379 4.019 20 30 EIEDLO C[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1cccc(C#N)c1 ZINC000775335871 1051076487 /nfs/dbraw/zinc/07/64/87/1051076487.db2.gz SMFBUGKSNAZELD-QMMMGPOBSA-N 1 2 326.268 4.105 20 30 EIEDLO C[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1cccc(C#N)c1 ZINC000775335870 1051087713 /nfs/dbraw/zinc/08/77/13/1051087713.db2.gz SMFBUGKSNAZELD-MRVPVSSYSA-N 1 2 326.268 4.105 20 30 EIEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](c2ccco2)C1 ZINC000076184299 1051162900 /nfs/dbraw/zinc/16/29/00/1051162900.db2.gz YJPNOFMNOHXIEU-PBHICJAKSA-N 1 2 348.406 4.174 20 30 EIEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](c2ccco2)C1 ZINC000076184299 1051162907 /nfs/dbraw/zinc/16/29/07/1051162907.db2.gz YJPNOFMNOHXIEU-PBHICJAKSA-N 1 2 348.406 4.174 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181314504 1051206824 /nfs/dbraw/zinc/20/68/24/1051206824.db2.gz GIXYFJNYVJKHBQ-CYBMUJFWSA-N 1 2 337.254 4.115 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181314504 1051206858 /nfs/dbraw/zinc/20/68/58/1051206858.db2.gz GIXYFJNYVJKHBQ-CYBMUJFWSA-N 1 2 337.254 4.115 20 30 EIEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181314505 1051207840 /nfs/dbraw/zinc/20/78/40/1051207840.db2.gz GIXYFJNYVJKHBQ-ZDUSSCGKSA-N 1 2 337.254 4.115 20 30 EIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181314505 1051207848 /nfs/dbraw/zinc/20/78/48/1051207848.db2.gz GIXYFJNYVJKHBQ-ZDUSSCGKSA-N 1 2 337.254 4.115 20 30 EIEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350888 1051211134 /nfs/dbraw/zinc/21/11/34/1051211134.db2.gz VUWSREAUEYUANI-PSASIEDQSA-N 1 2 345.258 4.497 20 30 EIEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350888 1051211148 /nfs/dbraw/zinc/21/11/48/1051211148.db2.gz VUWSREAUEYUANI-PSASIEDQSA-N 1 2 345.258 4.497 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1Br ZINC001249461762 1051334693 /nfs/dbraw/zinc/33/46/93/1051334693.db2.gz HELROLOSMBXVMO-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1Br ZINC001249461762 1051334700 /nfs/dbraw/zinc/33/47/00/1051334700.db2.gz HELROLOSMBXVMO-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO CCCCCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001191074343 1051343367 /nfs/dbraw/zinc/34/33/67/1051343367.db2.gz UMGBXWRRRSIYGE-UHFFFAOYSA-N 1 2 328.460 4.032 20 30 EIEDLO N#Cc1c(Nc2c[nH+]c(N)cc2C(F)(F)F)cccc1C(F)(F)F ZINC001175714623 1051734836 /nfs/dbraw/zinc/73/48/36/1051734836.db2.gz SUSPTTYXZJJPGR-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC001184036407 1051944103 /nfs/dbraw/zinc/94/41/03/1051944103.db2.gz WUHSJJDIEHKYQZ-UHFFFAOYSA-N 1 2 336.464 4.054 20 30 EIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001184036407 1051944111 /nfs/dbraw/zinc/94/41/11/1051944111.db2.gz WUHSJJDIEHKYQZ-UHFFFAOYSA-N 1 2 336.464 4.054 20 30 EIEDLO C[C@@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046543 1051946154 /nfs/dbraw/zinc/94/61/54/1051946154.db2.gz XVTXBCBKRQXTMF-XOBRGWDASA-N 1 2 342.389 4.013 20 30 EIEDLO C[C@@H](C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1cc(F)cc(F)c1 ZINC001184046543 1051946165 /nfs/dbraw/zinc/94/61/65/1051946165.db2.gz XVTXBCBKRQXTMF-XOBRGWDASA-N 1 2 342.389 4.013 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)c3sccc3CC#N)cc2)[nH+]c1C ZINC001176221010 1051963184 /nfs/dbraw/zinc/96/31/84/1051963184.db2.gz YZXQHOKJRQLMIY-UHFFFAOYSA-N 1 2 336.420 4.073 20 30 EIEDLO CC(C)C[C@@H](C(=O)N(O)Cc1cccc2ccccc21)n1cc[nH+]c1 ZINC001184339553 1051996031 /nfs/dbraw/zinc/99/60/31/1051996031.db2.gz HTHNJPYDHGGNKE-IBGZPJMESA-N 1 2 337.423 4.042 20 30 EIEDLO C=CCn1cc(Nc2cc[nH+]c3cc(Br)ccc23)cn1 ZINC001176544049 1052093248 /nfs/dbraw/zinc/09/32/48/1052093248.db2.gz GKIAZXNFWHQJOI-UHFFFAOYSA-N 1 2 329.201 4.123 20 30 EIEDLO C=C1CC(C)(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C1 ZINC001184793676 1052107949 /nfs/dbraw/zinc/10/79/49/1052107949.db2.gz LIUNXNVFSKPDBH-OAHLLOKOSA-N 1 2 341.282 4.069 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968447 1052135324 /nfs/dbraw/zinc/13/53/24/1052135324.db2.gz LKJMBZSFTQIZOS-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1c(F)cccc1F ZINC000774864297 1052233483 /nfs/dbraw/zinc/23/34/83/1052233483.db2.gz CFGPIWAPCPDECW-NSHDSACASA-N 1 2 336.769 4.371 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CC)c1nccs1 ZINC000185085028 1053013151 /nfs/dbraw/zinc/01/31/51/1053013151.db2.gz IMYHBJWFAOQRMB-CYBMUJFWSA-N 1 2 347.509 4.101 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc3ccccc3s2)s1 ZINC000794714611 1053349431 /nfs/dbraw/zinc/34/94/31/1053349431.db2.gz RVLLALBXGIJYHA-BQYQJAHWSA-N 1 2 328.462 4.316 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765063416 1053434662 /nfs/dbraw/zinc/43/46/62/1053434662.db2.gz ZMYURMDHEREQQO-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765063416 1053434668 /nfs/dbraw/zinc/43/46/68/1053434668.db2.gz ZMYURMDHEREQQO-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCSC2CCCCC2)C1 ZINC000852333525 1053573080 /nfs/dbraw/zinc/57/30/80/1053573080.db2.gz OIVFSZFTARIFSM-IBGZPJMESA-N 1 2 329.513 4.005 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000852333525 1053573096 /nfs/dbraw/zinc/57/30/96/1053573096.db2.gz OIVFSZFTARIFSM-IBGZPJMESA-N 1 2 329.513 4.005 20 30 EIEDLO CCOc1cccc(/C=[NH+]/CCc2csc(C(C)(C)C)n2)c1O ZINC000765501116 1053578751 /nfs/dbraw/zinc/57/87/51/1053578751.db2.gz VAVRAMHCOPJNEQ-YBFXNURJSA-N 1 2 332.469 4.207 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(C#N)c1O ZINC000866221449 1053656872 /nfs/dbraw/zinc/65/68/72/1053656872.db2.gz PWLVTWGBSKBESC-UONOGXRCSA-N 1 2 349.434 4.024 20 30 EIEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC)c(OC)c1 ZINC000866357136 1053702393 /nfs/dbraw/zinc/70/23/93/1053702393.db2.gz HAMUGUQPUBULDH-GUYCJALGSA-N 1 2 340.423 4.083 20 30 EIEDLO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866403965 1053717676 /nfs/dbraw/zinc/71/76/76/1053717676.db2.gz HUBDJRPMJGILPL-LLSQANQASA-N 1 2 342.826 4.098 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218218 1054097465 /nfs/dbraw/zinc/09/74/65/1054097465.db2.gz DWRIFPXLFIBHKH-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc43)CCO2)cc1 ZINC001198218218 1054097484 /nfs/dbraw/zinc/09/74/84/1054097484.db2.gz DWRIFPXLFIBHKH-PMACEKPBSA-N 1 2 338.838 4.272 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000858245279 1054447572 /nfs/dbraw/zinc/44/75/72/1054447572.db2.gz GDOLGDIJBDTQMC-BEFAXECRSA-N 1 2 344.405 4.334 20 30 EIEDLO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1OC(F)F ZINC000876908052 1054980716 /nfs/dbraw/zinc/98/07/16/1054980716.db2.gz HGNFUZXFTGAWIJ-JTQLQIEISA-N 1 2 337.757 4.059 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(F)c1OCC(F)(F)F ZINC000862212140 1055029684 /nfs/dbraw/zinc/02/96/84/1055029684.db2.gz HFTKTUBEDPRHLO-UHFFFAOYSA-N 1 2 332.341 4.138 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(F)c1OCC(F)(F)F ZINC000862212140 1055029697 /nfs/dbraw/zinc/02/96/97/1055029697.db2.gz HFTKTUBEDPRHLO-UHFFFAOYSA-N 1 2 332.341 4.138 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1F ZINC000862408084 1055062412 /nfs/dbraw/zinc/06/24/12/1055062412.db2.gz UAVDKBBDOVOYRR-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1F ZINC000862408084 1055062417 /nfs/dbraw/zinc/06/24/17/1055062417.db2.gz UAVDKBBDOVOYRR-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1c(F)cccc1Cl ZINC001137121298 1055066216 /nfs/dbraw/zinc/06/62/16/1055066216.db2.gz CBQBDLOFNYFGOH-UHFFFAOYSA-N 1 2 332.806 4.404 20 30 EIEDLO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1c(F)cccc1Cl ZINC001137121298 1055066228 /nfs/dbraw/zinc/06/62/28/1055066228.db2.gz CBQBDLOFNYFGOH-UHFFFAOYSA-N 1 2 332.806 4.404 20 30 EIEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877528889 1055070208 /nfs/dbraw/zinc/07/02/08/1055070208.db2.gz NKLCQCGQSZTVLX-INIZCTEOSA-N 1 2 343.862 4.064 20 30 EIEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877528889 1055070221 /nfs/dbraw/zinc/07/02/21/1055070221.db2.gz NKLCQCGQSZTVLX-INIZCTEOSA-N 1 2 343.862 4.064 20 30 EIEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)nc2)c(C(F)(F)F)c1 ZINC000794517053 1055201109 /nfs/dbraw/zinc/20/11/09/1055201109.db2.gz ZGRUAWFYOPXPPD-UHFFFAOYSA-N 1 2 342.752 4.266 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000878557578 1055343885 /nfs/dbraw/zinc/34/38/85/1055343885.db2.gz WTMOYKZRQRZGBL-HXUWFJFHSA-N 1 2 337.467 4.187 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(NCCCCNc2cccc[nH+]2)c1 ZINC000301828418 1055989602 /nfs/dbraw/zinc/98/96/02/1055989602.db2.gz QFQZJFJTOFDNAR-UHFFFAOYSA-N 1 2 334.345 4.276 20 30 EIEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000302677617 1056062643 /nfs/dbraw/zinc/06/26/43/1056062643.db2.gz QKLLOGMZPNGYOM-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(OC(F)F)cc3)c[nH+]c12 ZINC000741469217 1058225851 /nfs/dbraw/zinc/22/58/51/1058225851.db2.gz OSSUZCOEFKGIGE-TWGQIWQCSA-N 1 2 328.318 4.140 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(OC(F)(F)F)cc3)c[nH+]c12 ZINC000741469268 1058226878 /nfs/dbraw/zinc/22/68/78/1058226878.db2.gz ZAKHONXJKFKZAI-TWGQIWQCSA-N 1 2 346.308 4.437 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000742153977 1058533301 /nfs/dbraw/zinc/53/33/01/1058533301.db2.gz BDMRUQYNBXELCO-GJZGRUSLSA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000742153977 1058533319 /nfs/dbraw/zinc/53/33/19/1058533319.db2.gz BDMRUQYNBXELCO-GJZGRUSLSA-N 1 2 346.500 4.328 20 30 EIEDLO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001169518116 1060853073 /nfs/dbraw/zinc/85/30/73/1060853073.db2.gz AMZMKHNCWJWVJG-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(Br)c2c(c1)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001169518116 1060853076 /nfs/dbraw/zinc/85/30/76/1060853076.db2.gz AMZMKHNCWJWVJG-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO N#CC12CCC(Nc3c(Br)ccc4[nH+]ccn43)(CC1)CC2 ZINC001169751784 1060927702 /nfs/dbraw/zinc/92/77/02/1060927702.db2.gz HKOKRJXCMDGBDM-UHFFFAOYSA-N 1 2 345.244 4.125 20 30 EIEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001169928278 1061035189 /nfs/dbraw/zinc/03/51/89/1061035189.db2.gz LLBHWLGYAJUYEO-MRXNPFEDSA-N 1 2 342.845 4.041 20 30 EIEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001169928278 1061035206 /nfs/dbraw/zinc/03/52/06/1061035206.db2.gz LLBHWLGYAJUYEO-MRXNPFEDSA-N 1 2 342.845 4.041 20 30 EIEDLO CC1(C#N)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450440751 1032502111 /nfs/dbraw/zinc/50/21/11/1032502111.db2.gz ZRULSYSLJDKHRQ-UHFFFAOYSA-N 1 2 348.219 4.266 20 30 EIEDLO N#Cc1csc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199343 1019226402 /nfs/dbraw/zinc/22/64/02/1019226402.db2.gz UEVFMNVASQKFJB-CQSZACIVSA-N 1 2 335.885 4.035 20 30 EIEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199343 1019226416 /nfs/dbraw/zinc/22/64/16/1019226416.db2.gz UEVFMNVASQKFJB-CQSZACIVSA-N 1 2 335.885 4.035 20 30 EIEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000274840930 1019779135 /nfs/dbraw/zinc/77/91/35/1019779135.db2.gz OKZIZVFGTXWNOG-LBPRGKRZSA-N 1 2 330.863 4.322 20 30 EIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000177266693 1020963458 /nfs/dbraw/zinc/96/34/58/1020963458.db2.gz PNPRMSIRNRXHFW-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO CCCC[N@@H+]1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2C1 ZINC000255130033 1021083637 /nfs/dbraw/zinc/08/36/37/1021083637.db2.gz OSIKVXJXHSTCRP-UHFFFAOYSA-N 1 2 339.395 4.167 20 30 EIEDLO CCCC[N@H+]1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2C1 ZINC000255130033 1021083645 /nfs/dbraw/zinc/08/36/45/1021083645.db2.gz OSIKVXJXHSTCRP-UHFFFAOYSA-N 1 2 339.395 4.167 20 30 EIEDLO C=CC1(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC001125420677 1021641157 /nfs/dbraw/zinc/64/11/57/1021641157.db2.gz MHKSPQZPCHVCIZ-UHFFFAOYSA-N 1 2 341.430 4.154 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)nc1 ZINC000579849510 1022476798 /nfs/dbraw/zinc/47/67/98/1022476798.db2.gz ZLZPJNOCOONMQJ-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)nc1 ZINC000579849510 1022476811 /nfs/dbraw/zinc/47/68/11/1022476811.db2.gz ZLZPJNOCOONMQJ-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378402794 1022803483 /nfs/dbraw/zinc/80/34/83/1022803483.db2.gz ZYCKXHXIBZJIKN-UHFFFAOYSA-N 1 2 327.790 4.035 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378402794 1022803486 /nfs/dbraw/zinc/80/34/86/1022803486.db2.gz ZYCKXHXIBZJIKN-UHFFFAOYSA-N 1 2 327.790 4.035 20 30 EIEDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181205158 1022891725 /nfs/dbraw/zinc/89/17/25/1022891725.db2.gz WBGWHRZUOSQRGC-QGZVFWFLSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181205158 1022891729 /nfs/dbraw/zinc/89/17/29/1022891729.db2.gz WBGWHRZUOSQRGC-QGZVFWFLSA-N 1 2 344.256 4.299 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)Cc2ccnc(F)c2)cc1 ZINC001167708205 1023023522 /nfs/dbraw/zinc/02/35/22/1023023522.db2.gz LVIPPQAEVAWXNH-UHFFFAOYSA-N 1 2 349.384 4.434 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)Cc2ccnc(F)c2)cc1 ZINC001167708205 1023023534 /nfs/dbraw/zinc/02/35/34/1023023534.db2.gz LVIPPQAEVAWXNH-UHFFFAOYSA-N 1 2 349.384 4.434 20 30 EIEDLO Cc1cn2cc(NC(=O)CCNC(=O)C3CCCCC3)ccc2[nH+]1 ZINC000328790355 1023225662 /nfs/dbraw/zinc/22/56/62/1023225662.db2.gz QGJBSODUDYQLGZ-UHFFFAOYSA-N 1 2 328.416 4.158 20 30 EIEDLO C=CCc1cccc(C(C)C)c1NC(=O)NCCNc1cccc[nH+]1 ZINC000276367946 1023385784 /nfs/dbraw/zinc/38/57/84/1023385784.db2.gz CGXGJHKKYRTUFQ-UHFFFAOYSA-N 1 2 338.455 4.167 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278866763 1023412372 /nfs/dbraw/zinc/41/23/72/1023412372.db2.gz GVKWWFLVTZSDCE-MRVPVSSYSA-N 1 2 329.322 4.023 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2CC)n1 ZINC000276477940 1023581069 /nfs/dbraw/zinc/58/10/69/1023581069.db2.gz SKIYFTUEFWDZPS-UHFFFAOYSA-N 1 2 343.496 4.398 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2CC)n1 ZINC000276477940 1023581073 /nfs/dbraw/zinc/58/10/73/1023581073.db2.gz SKIYFTUEFWDZPS-UHFFFAOYSA-N 1 2 343.496 4.398 20 30 EIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000581682766 1023594784 /nfs/dbraw/zinc/59/47/84/1023594784.db2.gz KLLPINYCFGVWMM-NSHDSACASA-N 1 2 346.780 4.360 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@H](c2ccncc2)c2cc(F)ccc2F)cc1 ZINC000377656768 1023665188 /nfs/dbraw/zinc/66/51/88/1023665188.db2.gz YPAKRQMZYMRBOP-OAQYLSRUSA-N 1 2 334.369 4.220 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1 ZINC000027775617 1023733102 /nfs/dbraw/zinc/73/31/02/1023733102.db2.gz JTLGEVLOFJOKKW-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1 ZINC000027775617 1023733109 /nfs/dbraw/zinc/73/31/09/1023733109.db2.gz JTLGEVLOFJOKKW-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Br)cc1F ZINC000255387189 1023873250 /nfs/dbraw/zinc/87/32/50/1023873250.db2.gz LMGTVXRZGBCJCX-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO N#Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1 ZINC000891770415 1023965718 /nfs/dbraw/zinc/96/57/18/1023965718.db2.gz JJZNGGOTKZAFJL-UWVGGRQHSA-N 1 2 342.308 4.182 20 30 EIEDLO Cc1cc(F)ncc1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000891770402 1023966418 /nfs/dbraw/zinc/96/64/18/1023966418.db2.gz JAUCLUGCOZWEJT-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO Cc1cc(F)ncc1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000891770402 1023966430 /nfs/dbraw/zinc/96/64/30/1023966430.db2.gz JAUCLUGCOZWEJT-PHIMTYICSA-N 1 2 344.274 4.092 20 30 EIEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000651748276 1023972873 /nfs/dbraw/zinc/97/28/73/1023972873.db2.gz GKDZJBIXFLQWDK-KBRIMQKVSA-N 1 2 331.847 4.455 20 30 EIEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661379511 1024081616 /nfs/dbraw/zinc/08/16/16/1024081616.db2.gz CUKJFGIZYOJKPV-LBPRGKRZSA-N 1 2 327.255 4.220 20 30 EIEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661379511 1024081634 /nfs/dbraw/zinc/08/16/34/1024081634.db2.gz CUKJFGIZYOJKPV-LBPRGKRZSA-N 1 2 327.255 4.220 20 30 EIEDLO N#CCC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000178389180 1024584884 /nfs/dbraw/zinc/58/48/84/1024584884.db2.gz BDVMUINBQLPWEM-UHFFFAOYSA-N 1 2 347.384 4.449 20 30 EIEDLO N#CCC[N@H+](CCCc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000178389180 1024584914 /nfs/dbraw/zinc/58/49/14/1024584914.db2.gz BDVMUINBQLPWEM-UHFFFAOYSA-N 1 2 347.384 4.449 20 30 EIEDLO C=CC[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1F ZINC000092404590 1024801730 /nfs/dbraw/zinc/80/17/30/1024801730.db2.gz ZNQUUDUYMNAHLK-UHFFFAOYSA-N 1 2 325.431 4.009 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1F ZINC000092404590 1024801731 /nfs/dbraw/zinc/80/17/31/1024801731.db2.gz ZNQUUDUYMNAHLK-UHFFFAOYSA-N 1 2 325.431 4.009 20 30 EIEDLO Cc1c(C#N)cccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001216173151 1024805123 /nfs/dbraw/zinc/80/51/23/1024805123.db2.gz MCPRGPFXMDZIES-UHFFFAOYSA-N 1 2 327.185 4.021 20 30 EIEDLO Cc1cc(C)n(-c2ccc(CNc3cc(C4(C#N)CC4)cc[nH+]3)cc2)n1 ZINC001167795962 1025027063 /nfs/dbraw/zinc/02/70/63/1025027063.db2.gz MLUWTGAILLWSRE-UHFFFAOYSA-N 1 2 343.434 4.051 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)ccn1 ZINC000610991496 1025218821 /nfs/dbraw/zinc/21/88/21/1025218821.db2.gz LWPJBRSUCRPGIE-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)ccn1 ZINC000610991496 1025218825 /nfs/dbraw/zinc/21/88/25/1025218825.db2.gz LWPJBRSUCRPGIE-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000156643180 1025381812 /nfs/dbraw/zinc/38/18/12/1025381812.db2.gz LXPYYDVAVYJBFG-UHFFFAOYSA-N 1 2 340.254 4.090 20 30 EIEDLO N#CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000156643180 1025381830 /nfs/dbraw/zinc/38/18/30/1025381830.db2.gz LXPYYDVAVYJBFG-UHFFFAOYSA-N 1 2 340.254 4.090 20 30 EIEDLO C=CC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1cccc(C#N)c1 ZINC000512082687 1025902476 /nfs/dbraw/zinc/90/24/76/1025902476.db2.gz KUOQOHUXNFWAGL-UHFFFAOYSA-N 1 2 325.481 4.401 20 30 EIEDLO C=CC[N@H+](Cc1cnc(CC(C)C)s1)Cc1cccc(C#N)c1 ZINC000512082687 1025902484 /nfs/dbraw/zinc/90/24/84/1025902484.db2.gz KUOQOHUXNFWAGL-UHFFFAOYSA-N 1 2 325.481 4.401 20 30 EIEDLO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625999 1026013328 /nfs/dbraw/zinc/01/33/28/1026013328.db2.gz PYJLOSOXKMYUGW-ORAYPTAESA-N 1 2 345.849 4.304 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000894551994 1026202443 /nfs/dbraw/zinc/20/24/43/1026202443.db2.gz CVMCASBRMPNLFD-ZDUSSCGKSA-N 1 2 344.789 4.365 20 30 EIEDLO N#CCCCOc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000119748677 1026458449 /nfs/dbraw/zinc/45/84/49/1026458449.db2.gz OFLLLADUIMXXSL-UHFFFAOYSA-N 1 2 332.407 4.167 20 30 EIEDLO C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000479515752 1026832067 /nfs/dbraw/zinc/83/20/67/1026832067.db2.gz SQCXUANLGGYRCA-MEDUHNTESA-N 1 2 335.234 4.249 20 30 EIEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1C=CCCC1 ZINC000328802942 1027816435 /nfs/dbraw/zinc/81/64/35/1027816435.db2.gz JUNONLFDQLLSTF-INIZCTEOSA-N 1 2 334.423 4.036 20 30 EIEDLO CSc1cc(Br)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000353415211 1027879727 /nfs/dbraw/zinc/87/97/27/1027879727.db2.gz FOJVSNNTRBXGNW-UHFFFAOYSA-N 1 2 339.302 4.297 20 30 EIEDLO CSc1cc(Br)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000353415211 1027879732 /nfs/dbraw/zinc/87/97/32/1027879732.db2.gz FOJVSNNTRBXGNW-UHFFFAOYSA-N 1 2 339.302 4.297 20 30 EIEDLO Cc1cc(C)c(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(C)[nH+]1 ZINC000331352240 1027959472 /nfs/dbraw/zinc/95/94/72/1027959472.db2.gz ZFFXZGBRFNRYHM-AWEZNQCLSA-N 1 2 329.366 4.263 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OCC)o1)c1ccc(F)c(F)c1 ZINC000187779892 1028204787 /nfs/dbraw/zinc/20/47/87/1028204787.db2.gz IOQGIVOCWKJOJJ-KRWDZBQOSA-N 1 2 335.350 4.142 20 30 EIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000330249291 1028237104 /nfs/dbraw/zinc/23/71/04/1028237104.db2.gz MPRAHQLEQAKIDK-BBRMVZONSA-N 1 2 333.819 4.319 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000728569253 1028805934 /nfs/dbraw/zinc/80/59/34/1028805934.db2.gz CGBXVCFGYYOOQH-UHFFFAOYSA-N 1 2 331.394 4.468 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000728569253 1028805937 /nfs/dbraw/zinc/80/59/37/1028805937.db2.gz CGBXVCFGYYOOQH-UHFFFAOYSA-N 1 2 331.394 4.468 20 30 EIEDLO COc1ccc(CNc2ccc([NH+](C)C)cc2)cc1OCCCC#N ZINC000157698240 1029140916 /nfs/dbraw/zinc/14/09/16/1029140916.db2.gz FXSUOUOMMBJRFX-UHFFFAOYSA-N 1 2 339.439 4.056 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)o2)c1 ZINC000378504071 1029504092 /nfs/dbraw/zinc/50/40/92/1029504092.db2.gz BBWQOMZPXKDAGJ-CABCVRRESA-N 1 2 332.407 4.329 20 30 EIEDLO C[N@H+](Cc1ccc(Br)cc1)Cc1cccc(F)c1C#N ZINC000428490384 1030153303 /nfs/dbraw/zinc/15/33/03/1030153303.db2.gz YNWCGJBAJKOKCJ-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)cc1)Cc1cccc(F)c1C#N ZINC000428490384 1030153304 /nfs/dbraw/zinc/15/33/04/1030153304.db2.gz YNWCGJBAJKOKCJ-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO Cc1sc(C(C)(C)[NH2+]CC2(C#N)CC2)nc1-c1ccccc1F ZINC000451167217 1030294992 /nfs/dbraw/zinc/29/49/92/1030294992.db2.gz QURKJKJHFHCPIA-UHFFFAOYSA-N 1 2 329.444 4.386 20 30 EIEDLO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191109 1030547156 /nfs/dbraw/zinc/54/71/56/1030547156.db2.gz MBDMMIDEOLFGMI-QZTJIDSGSA-N 1 2 349.478 4.007 20 30 EIEDLO CC(C)c1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104712752 1031111529 /nfs/dbraw/zinc/11/15/29/1031111529.db2.gz OBKGTFDWGHQBGP-UHFFFAOYSA-N 1 2 341.480 4.182 20 30 EIEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000113331035 1031361365 /nfs/dbraw/zinc/36/13/65/1031361365.db2.gz RTKYMSSCLVOJLJ-LJQANCHMSA-N 1 2 334.444 4.034 20 30 EIEDLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364863198 1031420953 /nfs/dbraw/zinc/42/09/53/1031420953.db2.gz JQLBUBSWVZFSDL-UONOGXRCSA-N 1 2 349.463 4.192 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612407076 1031491438 /nfs/dbraw/zinc/49/14/38/1031491438.db2.gz YOIYQTTWWBOMRV-OAQYLSRUSA-N 1 2 336.483 4.295 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612407076 1031491446 /nfs/dbraw/zinc/49/14/46/1031491446.db2.gz YOIYQTTWWBOMRV-OAQYLSRUSA-N 1 2 336.483 4.295 20 30 EIEDLO CC(C)COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512659533 1033646724 /nfs/dbraw/zinc/64/67/24/1033646724.db2.gz HUAIQPAISNBOIW-KSSFIOAISA-N 1 2 330.403 4.355 20 30 EIEDLO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)cc1F ZINC000512667864 1033671370 /nfs/dbraw/zinc/67/13/70/1033671370.db2.gz RJNGSILFCUECAN-NSHDSACASA-N 1 2 327.384 4.265 20 30 EIEDLO N#CC1(CC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)CCCCC1 ZINC000411497042 1033941965 /nfs/dbraw/zinc/94/19/65/1033941965.db2.gz NLDAUAGZJTYUMD-UHFFFAOYSA-N 1 2 334.467 4.095 20 30 EIEDLO N#CC1(CC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CCCCC1 ZINC000411497042 1033941976 /nfs/dbraw/zinc/94/19/76/1033941976.db2.gz NLDAUAGZJTYUMD-UHFFFAOYSA-N 1 2 334.467 4.095 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000509800087 1033998333 /nfs/dbraw/zinc/99/83/33/1033998333.db2.gz WAJVWLIGIXKJPM-VIFPVBQESA-N 1 2 335.167 4.059 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000509800087 1033998342 /nfs/dbraw/zinc/99/83/42/1033998342.db2.gz WAJVWLIGIXKJPM-VIFPVBQESA-N 1 2 335.167 4.059 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)cc1 ZINC000614406173 1034554280 /nfs/dbraw/zinc/55/42/80/1034554280.db2.gz UFXGGGOGGBQPFQ-OAHLLOKOSA-N 1 2 346.434 4.330 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2ccccc2o1 ZINC000182629491 1034965360 /nfs/dbraw/zinc/96/53/60/1034965360.db2.gz LPCDGRQQGGMAQF-CYBMUJFWSA-N 1 2 344.374 4.205 20 30 EIEDLO CCO[C@@H](C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000595636573 1035740535 /nfs/dbraw/zinc/74/05/35/1035740535.db2.gz RAGHYWYZGOUHEH-ZDUSSCGKSA-N 1 2 329.469 4.137 20 30 EIEDLO Cc1cc(C)c(NC(=O)CCC[N@@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000593125199 1035797933 /nfs/dbraw/zinc/79/79/33/1035797933.db2.gz BQGBKPSXNJSSOD-UHFFFAOYSA-N 1 2 347.462 4.218 20 30 EIEDLO Cc1cc(C)c(NC(=O)CCC[N@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000593125199 1035797958 /nfs/dbraw/zinc/79/79/58/1035797958.db2.gz BQGBKPSXNJSSOD-UHFFFAOYSA-N 1 2 347.462 4.218 20 30 EIEDLO Cc1nc(N[C@H](CCC#N)c2ccccc2)c(Br)c(C)[nH+]1 ZINC000596171144 1035834507 /nfs/dbraw/zinc/83/45/07/1035834507.db2.gz HJQGSYRDPFGRLU-CQSZACIVSA-N 1 2 345.244 4.313 20 30 EIEDLO N#CC1(c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)CCOCC1 ZINC000596642235 1035959326 /nfs/dbraw/zinc/95/93/26/1035959326.db2.gz PBUHWSLDRMUVLE-UHFFFAOYSA-N 1 2 343.430 4.170 20 30 EIEDLO C[C@]1(C#N)CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000597232684 1036165356 /nfs/dbraw/zinc/16/53/56/1036165356.db2.gz VKZHIXWUMINLGY-OAQYLSRUSA-N 1 2 334.467 4.401 20 30 EIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000597232684 1036165368 /nfs/dbraw/zinc/16/53/68/1036165368.db2.gz VKZHIXWUMINLGY-OAQYLSRUSA-N 1 2 334.467 4.401 20 30 EIEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)CC2 ZINC000571812237 1036259761 /nfs/dbraw/zinc/25/97/61/1036259761.db2.gz FCVNFGRLHDRSAH-SJORKVTESA-N 1 2 347.245 4.176 20 30 EIEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)CC2 ZINC000571812231 1036262037 /nfs/dbraw/zinc/26/20/37/1036262037.db2.gz FCVNFGRLHDRSAH-DLBZAZTESA-N 1 2 347.245 4.176 20 30 EIEDLO Cc1[nH+]cn(-c2ccc(N[C@H](C)CC3(C#N)CCOCC3)cc2)c1C ZINC000602678387 1036569051 /nfs/dbraw/zinc/56/90/51/1036569051.db2.gz WDZGSPKTRPNNCW-OAHLLOKOSA-N 1 2 338.455 4.000 20 30 EIEDLO N#Cc1ccc(C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)nc1 ZINC000602905799 1036670390 /nfs/dbraw/zinc/67/03/90/1036670390.db2.gz CWJASUYMZVCBPC-UHFFFAOYSA-N 1 2 347.249 4.035 20 30 EIEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980364 1036689616 /nfs/dbraw/zinc/68/96/16/1036689616.db2.gz PHRWUTZWOJJHBP-YJBOKZPZSA-N 1 2 340.858 4.230 20 30 EIEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000602980364 1036689630 /nfs/dbraw/zinc/68/96/30/1036689630.db2.gz PHRWUTZWOJJHBP-YJBOKZPZSA-N 1 2 340.858 4.230 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1Cl ZINC000486880606 1036882107 /nfs/dbraw/zinc/88/21/07/1036882107.db2.gz MQKXARFTCPSGIV-CHWSQXEVSA-N 1 2 348.878 4.387 20 30 EIEDLO C=CCn1c(C)nn(C[NH+]2CCC(c3ccccc3C)CC2)c1=S ZINC000170951654 1036950588 /nfs/dbraw/zinc/95/05/88/1036950588.db2.gz AUDDJHDOIZWSGA-UHFFFAOYSA-N 1 2 342.512 4.054 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000246461028 1037185754 /nfs/dbraw/zinc/18/57/54/1037185754.db2.gz WLFUJFVERQUSMC-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000246461028 1037185761 /nfs/dbraw/zinc/18/57/61/1037185761.db2.gz WLFUJFVERQUSMC-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272599365 1037237217 /nfs/dbraw/zinc/23/72/17/1037237217.db2.gz QSCPXJDEOJGVLM-HOTGVXAUSA-N 1 2 327.472 4.153 20 30 EIEDLO N#Cc1cnccc1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000592123668 1037736594 /nfs/dbraw/zinc/73/65/94/1037736594.db2.gz XUTZJPQCJDCHQF-LJQANCHMSA-N 1 2 327.378 4.015 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccccc1 ZINC000028986894 1038070225 /nfs/dbraw/zinc/07/02/25/1038070225.db2.gz FKZHOOMVKHGORZ-UHFFFAOYSA-N 1 2 326.465 4.035 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccccc1 ZINC000028986894 1038070250 /nfs/dbraw/zinc/07/02/50/1038070250.db2.gz FKZHOOMVKHGORZ-UHFFFAOYSA-N 1 2 326.465 4.035 20 30 EIEDLO CC(C)c1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527637 1038288400 /nfs/dbraw/zinc/28/84/00/1038288400.db2.gz SJOYBRYMNFKKSY-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO CC(C)c1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527637 1038288411 /nfs/dbraw/zinc/28/84/11/1038288411.db2.gz SJOYBRYMNFKKSY-UHFFFAOYSA-N 1 2 346.434 4.364 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)o2)c1 ZINC000046528064 1038290006 /nfs/dbraw/zinc/29/00/06/1038290006.db2.gz BBLBNJNLAREZSN-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)o2)c1 ZINC000046528064 1038290024 /nfs/dbraw/zinc/29/00/24/1038290024.db2.gz BBLBNJNLAREZSN-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000594497200 1038345165 /nfs/dbraw/zinc/34/51/65/1038345165.db2.gz DPRNEDYZRHTVRI-UHFFFAOYSA-N 1 2 336.332 4.334 20 30 EIEDLO N#CC1(c2ccc(C[NH2+]Cc3c(F)c(F)cc(F)c3F)cc2)CC1 ZINC000594934569 1038494786 /nfs/dbraw/zinc/49/47/86/1038494786.db2.gz CKPBCTVBPITEQD-UHFFFAOYSA-N 1 2 334.316 4.088 20 30 EIEDLO C=CCn1cc(C[NH2+][C@H](CCC)c2ccc(Cl)cc2Cl)nn1 ZINC000424297023 1038775517 /nfs/dbraw/zinc/77/55/17/1038775517.db2.gz POUHNVVZAZMZPY-MRXNPFEDSA-N 1 2 339.270 4.402 20 30 EIEDLO N#CCC[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC1CC1 ZINC000093091583 1039630081 /nfs/dbraw/zinc/63/00/81/1039630081.db2.gz SWZVCDYHYGECAA-UHFFFAOYSA-N 1 2 348.494 4.351 20 30 EIEDLO N#CCC[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC1CC1 ZINC000093091583 1039630095 /nfs/dbraw/zinc/63/00/95/1039630095.db2.gz SWZVCDYHYGECAA-UHFFFAOYSA-N 1 2 348.494 4.351 20 30 EIEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc(F)c1F ZINC001143611289 1039629879 /nfs/dbraw/zinc/62/98/79/1039629879.db2.gz XLUNKAFMPAHVPT-UHFFFAOYSA-N 1 2 344.380 4.470 20 30 EIEDLO N#CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000345314843 1040086221 /nfs/dbraw/zinc/08/62/21/1040086221.db2.gz ZZSFIPQLFKSPAF-UHFFFAOYSA-N 1 2 345.240 4.031 20 30 EIEDLO C=CCC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000435284059 1040249383 /nfs/dbraw/zinc/24/93/83/1040249383.db2.gz DIVMPSYVXYJHQE-HXUWFJFHSA-N 1 2 331.419 4.310 20 30 EIEDLO N#CC1(c2ccccc2)CCC(Nc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000553621373 1040376508 /nfs/dbraw/zinc/37/65/08/1040376508.db2.gz IKOUJICQGQYOOO-UHFFFAOYSA-N 1 2 346.478 4.498 20 30 EIEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c(Cl)c1 ZINC000515350645 1040671262 /nfs/dbraw/zinc/67/12/62/1040671262.db2.gz UMPQZJYWYCGFIA-HNNXBMFYSA-N 1 2 347.890 4.300 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824153 1040805609 /nfs/dbraw/zinc/80/56/09/1040805609.db2.gz ZPIFYXDSZLMNKQ-MOPGFXCFSA-N 1 2 335.407 4.175 20 30 EIEDLO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000539824153 1040805612 /nfs/dbraw/zinc/80/56/12/1040805612.db2.gz ZPIFYXDSZLMNKQ-MOPGFXCFSA-N 1 2 335.407 4.175 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)cs3)n2)cc1 ZINC000483631003 1040922957 /nfs/dbraw/zinc/92/29/57/1040922957.db2.gz BYPHGPBJVRVCOT-LBPRGKRZSA-N 1 2 338.436 4.083 20 30 EIEDLO N#Cc1ccsc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436182909 1040954392 /nfs/dbraw/zinc/95/43/92/1040954392.db2.gz VHDGKOPESDNGMZ-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)[C@H](C)CO2)c1 ZINC000483948893 1041075648 /nfs/dbraw/zinc/07/56/48/1041075648.db2.gz BSTBWTKNBDXQKV-IERDGZPVSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)[C@H](C)CO2)c1 ZINC000483948893 1041075663 /nfs/dbraw/zinc/07/56/63/1041075663.db2.gz BSTBWTKNBDXQKV-IERDGZPVSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425536129 1041189444 /nfs/dbraw/zinc/18/94/44/1041189444.db2.gz OIEXHBBWNKIBRU-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2nnc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425536129 1041189463 /nfs/dbraw/zinc/18/94/63/1041189463.db2.gz OIEXHBBWNKIBRU-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439048679 1042481334 /nfs/dbraw/zinc/48/13/34/1042481334.db2.gz ULAFOHDXOUTXFB-UHFFFAOYSA-N 1 2 338.455 4.316 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1SC)c1ccc(F)cc1 ZINC000491710862 1042490700 /nfs/dbraw/zinc/49/07/00/1042490700.db2.gz TYELGBASLLLPPY-INIZCTEOSA-N 1 2 345.439 4.029 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccccc1 ZINC000437895913 1042561299 /nfs/dbraw/zinc/56/12/99/1042561299.db2.gz MNJSLRCXGQCGOL-FZKQIMNGSA-N 1 2 328.362 4.353 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccccc1 ZINC000437895913 1042561305 /nfs/dbraw/zinc/56/13/05/1042561305.db2.gz MNJSLRCXGQCGOL-FZKQIMNGSA-N 1 2 328.362 4.353 20 30 EIEDLO CC[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492377461 1042625431 /nfs/dbraw/zinc/62/54/31/1042625431.db2.gz PSVIUJLYCHDJPL-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492377461 1042625440 /nfs/dbraw/zinc/62/54/40/1042625440.db2.gz PSVIUJLYCHDJPL-UHFFFAOYSA-N 1 2 335.270 4.404 20 30 EIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443601 1042628278 /nfs/dbraw/zinc/62/82/78/1042628278.db2.gz WHNWNRRCNJGZNI-ZAMGYDSWSA-N 1 2 346.883 4.142 20 30 EIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443601 1042628286 /nfs/dbraw/zinc/62/82/86/1042628286.db2.gz WHNWNRRCNJGZNI-ZAMGYDSWSA-N 1 2 346.883 4.142 20 30 EIEDLO CCCc1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000426397500 1042649785 /nfs/dbraw/zinc/64/97/85/1042649785.db2.gz SRMPBXHMYXKVRR-UHFFFAOYSA-N 1 2 341.480 4.011 20 30 EIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000506618202 1042696449 /nfs/dbraw/zinc/69/64/49/1042696449.db2.gz LRGKMDRDYNWMKD-MRXNPFEDSA-N 1 2 349.434 4.076 20 30 EIEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000347880992 1043318946 /nfs/dbraw/zinc/31/89/46/1043318946.db2.gz NEGFUOJRXVUSLG-UHFFFAOYSA-N 1 2 331.419 4.091 20 30 EIEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1nccs1 ZINC000191523580 1043824380 /nfs/dbraw/zinc/82/43/80/1043824380.db2.gz FMGSTEPIXJNMIA-UHFFFAOYSA-N 1 2 347.487 4.475 20 30 EIEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1nccs1 ZINC000191523580 1043824383 /nfs/dbraw/zinc/82/43/83/1043824383.db2.gz FMGSTEPIXJNMIA-UHFFFAOYSA-N 1 2 347.487 4.475 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCCC3(CCCCC3)C2)nc1C1CC1 ZINC000732191060 1043879639 /nfs/dbraw/zinc/87/96/39/1043879639.db2.gz ODUIJZVSPLUCNR-UHFFFAOYSA-N 1 2 346.544 4.481 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCCC3(CCCCC3)C2)nc1C1CC1 ZINC000732191060 1043879645 /nfs/dbraw/zinc/87/96/45/1043879645.db2.gz ODUIJZVSPLUCNR-UHFFFAOYSA-N 1 2 346.544 4.481 20 30 EIEDLO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2)cc1 ZINC000174319187 1044258789 /nfs/dbraw/zinc/25/87/89/1044258789.db2.gz PEDYPALCSBKICD-HXUWFJFHSA-N 1 2 336.366 4.178 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000175027247 1044342401 /nfs/dbraw/zinc/34/24/01/1044342401.db2.gz ZPHMZIVCMQGVCL-NEPJUHHUSA-N 1 2 345.805 4.029 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757884 1044445765 /nfs/dbraw/zinc/44/57/65/1044445765.db2.gz VOXUJXCRGKMSNE-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757884 1044445777 /nfs/dbraw/zinc/44/57/77/1044445777.db2.gz VOXUJXCRGKMSNE-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)CCCC)c1=S ZINC000914567343 1044510858 /nfs/dbraw/zinc/51/08/58/1044510858.db2.gz RJIVIZKLQPYRMW-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)CCCC)c1=S ZINC000914567343 1044510874 /nfs/dbraw/zinc/51/08/74/1044510874.db2.gz RJIVIZKLQPYRMW-UHFFFAOYSA-N 1 2 348.491 4.486 20 30 EIEDLO C=CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000474142005 1044667214 /nfs/dbraw/zinc/66/72/14/1044667214.db2.gz MIROHBKWQWOLTG-UHFFFAOYSA-N 1 2 346.409 4.071 20 30 EIEDLO C=CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000474142005 1044667227 /nfs/dbraw/zinc/66/72/27/1044667227.db2.gz MIROHBKWQWOLTG-UHFFFAOYSA-N 1 2 346.409 4.071 20 30 EIEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000428856119 1044732820 /nfs/dbraw/zinc/73/28/20/1044732820.db2.gz KDDUQTKBAFSGBY-UHFFFAOYSA-N 1 2 349.434 4.209 20 30 EIEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000428856119 1044732839 /nfs/dbraw/zinc/73/28/39/1044732839.db2.gz KDDUQTKBAFSGBY-UHFFFAOYSA-N 1 2 349.434 4.209 20 30 EIEDLO N#Cc1csc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000611263641 1045268484 /nfs/dbraw/zinc/26/84/84/1045268484.db2.gz FRFAWYQYFIBNHR-AOOOYVTPSA-N 1 2 342.308 4.182 20 30 EIEDLO N#Cc1csc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000611263641 1045268500 /nfs/dbraw/zinc/26/85/00/1045268500.db2.gz FRFAWYQYFIBNHR-AOOOYVTPSA-N 1 2 342.308 4.182 20 30 EIEDLO COCC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268760 1045270934 /nfs/dbraw/zinc/27/09/34/1045270934.db2.gz QXGHWVIUEVMZFY-UHFFFAOYSA-N 1 2 347.462 4.052 20 30 EIEDLO COCC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268760 1045270942 /nfs/dbraw/zinc/27/09/42/1045270942.db2.gz QXGHWVIUEVMZFY-UHFFFAOYSA-N 1 2 347.462 4.052 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)o1 ZINC000611275775 1045271328 /nfs/dbraw/zinc/27/13/28/1045271328.db2.gz YJLCWAUXSBXZJD-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)o1 ZINC000611275775 1045271331 /nfs/dbraw/zinc/27/13/31/1045271331.db2.gz YJLCWAUXSBXZJD-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO CCc1ccccc1N[NH+]=C(C)c1c(F)cccc1N1CCOCC1 ZINC000741162610 1045276750 /nfs/dbraw/zinc/27/67/50/1045276750.db2.gz GZBGIQPJERTASE-UHFFFAOYSA-N 1 2 341.430 4.061 20 30 EIEDLO COc1ccc([N@H+](CCCC2(C#N)CCOCC2)[C@@H](C)C2CC2)cc1 ZINC000282117034 1045635811 /nfs/dbraw/zinc/63/58/11/1045635811.db2.gz XLBSYWNSVDEDNC-KRWDZBQOSA-N 1 2 342.483 4.401 20 30 EIEDLO COc1ccc([N@@H+](CCCC2(C#N)CCOCC2)[C@@H](C)C2CC2)cc1 ZINC000282117034 1045635839 /nfs/dbraw/zinc/63/58/39/1045635839.db2.gz XLBSYWNSVDEDNC-KRWDZBQOSA-N 1 2 342.483 4.401 20 30 EIEDLO CC(C)n1ccn(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1=S ZINC000767986027 1045693123 /nfs/dbraw/zinc/69/31/23/1045693123.db2.gz AVBMLJFEMXXIJE-UHFFFAOYSA-N 1 2 338.480 4.218 20 30 EIEDLO CC(C)n1ccn(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1=S ZINC000767986027 1045693146 /nfs/dbraw/zinc/69/31/46/1045693146.db2.gz AVBMLJFEMXXIJE-UHFFFAOYSA-N 1 2 338.480 4.218 20 30 EIEDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459386171 1045701705 /nfs/dbraw/zinc/70/17/05/1045701705.db2.gz ATNBLLANPPLOEZ-AWEZNQCLSA-N 1 2 339.395 4.104 20 30 EIEDLO Cc1ccc(OC(F)F)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000769608352 1046031153 /nfs/dbraw/zinc/03/11/53/1046031153.db2.gz SEPLLRCSXCFTNZ-VOTSOKGWSA-N 1 2 328.318 4.140 20 30 EIEDLO CCOc1cccc2cc(C(=O)/C=C\c3cccc4[nH+]ccn43)oc21 ZINC000769606207 1046031528 /nfs/dbraw/zinc/03/15/28/1046031528.db2.gz CFPZGILOWDLNGW-KTKRTIGZSA-N 1 2 332.359 4.375 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000770384772 1046188716 /nfs/dbraw/zinc/18/87/16/1046188716.db2.gz OBMLCINLKSSACR-JOCHJYFZSA-N 1 2 344.414 4.392 20 30 EIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000770384772 1046188723 /nfs/dbraw/zinc/18/87/23/1046188723.db2.gz OBMLCINLKSSACR-JOCHJYFZSA-N 1 2 344.414 4.392 20 30 EIEDLO CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000459396727 1046616230 /nfs/dbraw/zinc/61/62/30/1046616230.db2.gz CWYDQNGLIDMLEL-GFCCVEGCSA-N 1 2 335.816 4.422 20 30 EIEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000459463369 1046701394 /nfs/dbraw/zinc/70/13/94/1046701394.db2.gz LFWVBTDXVAFUDN-JZXOWHBKSA-N 1 2 349.434 4.088 20 30 EIEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000459463368 1046701945 /nfs/dbraw/zinc/70/19/45/1046701945.db2.gz LFWVBTDXVAFUDN-BQFCYCMXSA-N 1 2 349.434 4.088 20 30 EIEDLO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c(OCc2ccccc2)n1 ZINC000459480275 1046706921 /nfs/dbraw/zinc/70/69/21/1046706921.db2.gz OXZYUBHVUOBVFZ-AZUAARDMSA-N 1 2 335.451 4.059 20 30 EIEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000127661525 1046713382 /nfs/dbraw/zinc/71/33/82/1046713382.db2.gz BHJZJAPPKKSELR-UHFFFAOYSA-N 1 2 336.464 4.336 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000127661525 1046713405 /nfs/dbraw/zinc/71/34/05/1046713405.db2.gz BHJZJAPPKKSELR-UHFFFAOYSA-N 1 2 336.464 4.336 20 30 EIEDLO FC(F)(F)c1ccc(CON=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000746575899 1046826021 /nfs/dbraw/zinc/82/60/21/1046826021.db2.gz FABABPSVZGGIDJ-UHFFFAOYSA-N 1 2 349.356 4.273 20 30 EIEDLO C#CC[N@@H+](Cn1ccn(C(C)C)c1=S)[C@H]1CCc2ccccc21 ZINC000917456937 1046897674 /nfs/dbraw/zinc/89/76/74/1046897674.db2.gz ICGIDPXVYYHSKO-SFHVURJKSA-N 1 2 325.481 4.180 20 30 EIEDLO C#CC[N@H+](Cn1ccn(C(C)C)c1=S)[C@H]1CCc2ccccc21 ZINC000917456937 1046897680 /nfs/dbraw/zinc/89/76/80/1046897680.db2.gz ICGIDPXVYYHSKO-SFHVURJKSA-N 1 2 325.481 4.180 20 30 EIEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cnn1C(C)(C)C ZINC000787185778 1046938493 /nfs/dbraw/zinc/93/84/93/1046938493.db2.gz ADIHSQCBIRRCHT-VOTSOKGWSA-N 1 2 342.830 4.144 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000537202850 1047038495 /nfs/dbraw/zinc/03/84/95/1047038495.db2.gz BAYQJDKTWJYIIP-SNVBAGLBSA-N 1 2 327.653 4.227 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000537202850 1047038503 /nfs/dbraw/zinc/03/85/03/1047038503.db2.gz BAYQJDKTWJYIIP-SNVBAGLBSA-N 1 2 327.653 4.227 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068607884 1047093106 /nfs/dbraw/zinc/09/31/06/1047093106.db2.gz QBJWNYUWJKDJLK-KRWDZBQOSA-N 1 2 330.435 4.273 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068607884 1047093121 /nfs/dbraw/zinc/09/31/21/1047093121.db2.gz QBJWNYUWJKDJLK-KRWDZBQOSA-N 1 2 330.435 4.273 20 30 EIEDLO N#CC1(c2ccccc2)CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000537324701 1047110879 /nfs/dbraw/zinc/11/08/79/1047110879.db2.gz DTFPBEWDDGYAQB-UHFFFAOYSA-N 1 2 346.478 4.498 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)cc1 ZINC000542611831 1047704863 /nfs/dbraw/zinc/70/48/63/1047704863.db2.gz HVIMMFICSPKDAG-AWEZNQCLSA-N 1 2 332.407 4.021 20 30 EIEDLO CC#CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000155034989 1047896891 /nfs/dbraw/zinc/89/68/91/1047896891.db2.gz PEZHVHWTXFKNLH-CYBMUJFWSA-N 1 2 348.903 4.049 20 30 EIEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001171063107 1047907685 /nfs/dbraw/zinc/90/76/85/1047907685.db2.gz FYGBOLJKSBLBJF-OAQYLSRUSA-N 1 2 329.447 4.356 20 30 EIEDLO CC(=[NH+]Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814796918 1048173367 /nfs/dbraw/zinc/17/33/67/1048173367.db2.gz WKXWOCMCKZNVJZ-UHFFFAOYSA-N 1 2 339.182 4.320 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001143726164 1048176796 /nfs/dbraw/zinc/17/67/96/1048176796.db2.gz IWFLQGDNNYVLHQ-INIZCTEOSA-N 1 2 343.883 4.363 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001143726164 1048176800 /nfs/dbraw/zinc/17/68/00/1048176800.db2.gz IWFLQGDNNYVLHQ-INIZCTEOSA-N 1 2 343.883 4.363 20 30 EIEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]Nc2cccc3ncccc32)C1 ZINC000814804134 1048189599 /nfs/dbraw/zinc/18/95/99/1048189599.db2.gz BBJDFSKELBARGN-UHFFFAOYSA-N 1 2 337.452 4.062 20 30 EIEDLO Nc1ccc(C=[NH+]Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000814949123 1048269906 /nfs/dbraw/zinc/26/99/06/1048269906.db2.gz ULWCVNXTOYCPGX-UHFFFAOYSA-N 1 2 348.250 4.147 20 30 EIEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000919941884 1048326176 /nfs/dbraw/zinc/32/61/76/1048326176.db2.gz AEGOQEMYZLKDLZ-UHFFFAOYSA-N 1 2 348.903 4.220 20 30 EIEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000919941884 1048326187 /nfs/dbraw/zinc/32/61/87/1048326187.db2.gz AEGOQEMYZLKDLZ-UHFFFAOYSA-N 1 2 348.903 4.220 20 30 EIEDLO C=C[C@H](CC)CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099581 1048422368 /nfs/dbraw/zinc/42/23/68/1048422368.db2.gz YHUYHOPFJHOFCW-OAHLLOKOSA-N 1 2 340.471 4.090 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(Cl)c(C)c1 ZINC000809705545 1048486895 /nfs/dbraw/zinc/48/68/95/1048486895.db2.gz VHTVZQROWQUTLJ-UHFFFAOYSA-N 1 2 332.879 4.399 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(Cl)c(C)c1 ZINC000809705545 1048486924 /nfs/dbraw/zinc/48/69/24/1048486924.db2.gz VHTVZQROWQUTLJ-UHFFFAOYSA-N 1 2 332.879 4.399 20 30 EIEDLO CCOc1ccc(/C=[NH+]\C[C@H](C)COCc2ccccc2)c(O)c1 ZINC000920175277 1048574187 /nfs/dbraw/zinc/57/41/87/1048574187.db2.gz USHGXMOTLKSHJR-JHDSZEHQSA-N 1 2 327.424 4.063 20 30 EIEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC000920387080 1048664100 /nfs/dbraw/zinc/66/41/00/1048664100.db2.gz KPRQUAPFLZWPAB-WDFHVHJUSA-N 1 2 339.435 4.378 20 30 EIEDLO FC(F)C1C[NH+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC001138022838 1048781209 /nfs/dbraw/zinc/78/12/09/1048781209.db2.gz OFXFYEKEUQTFGG-UHFFFAOYSA-N 1 2 333.222 4.421 20 30 EIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001147171950 1049100830 /nfs/dbraw/zinc/10/08/30/1049100830.db2.gz BWBHVSQBPPAVBB-APWZRJJASA-N 1 2 348.918 4.413 20 30 EIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001147171950 1049100835 /nfs/dbraw/zinc/10/08/35/1049100835.db2.gz BWBHVSQBPPAVBB-APWZRJJASA-N 1 2 348.918 4.413 20 30 EIEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000064508369 1049291425 /nfs/dbraw/zinc/29/14/25/1049291425.db2.gz ZVYSPZSIKGDZED-UHFFFAOYSA-N 1 2 333.229 4.278 20 30 EIEDLO C=C[C@@H]1C[C@]1(Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(=O)OCC ZINC001170928077 1049326386 /nfs/dbraw/zinc/32/63/86/1049326386.db2.gz OFMQOOCFENZZBH-QVKFZJNVSA-N 1 2 347.418 4.150 20 30 EIEDLO C=C[C@H]1C[C@]1(Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(=O)OCC ZINC001170928081 1049328344 /nfs/dbraw/zinc/32/83/44/1049328344.db2.gz OFMQOOCFENZZBH-YCRPNKLZSA-N 1 2 347.418 4.150 20 30 EIEDLO Fc1cccc2c1C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC2 ZINC001170951263 1049530582 /nfs/dbraw/zinc/53/05/82/1049530582.db2.gz XOLWUCLOCPQAEJ-VIFPVBQESA-N 1 2 347.249 4.106 20 30 EIEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)C ZINC000812969656 1049645615 /nfs/dbraw/zinc/64/56/15/1049645615.db2.gz XSOPBMFWALOSGG-UHFFFAOYSA-N 1 2 338.455 4.315 20 30 EIEDLO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)cc(F)c1O ZINC000806177461 1049840683 /nfs/dbraw/zinc/84/06/83/1049840683.db2.gz ARAKZMNIJVSXBK-JTQLQIEISA-N 1 2 343.240 4.274 20 30 EIEDLO CCCC[C@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001172627860 1049953585 /nfs/dbraw/zinc/95/35/85/1049953585.db2.gz RLOVVICIMRLKRQ-IRXDYDNUSA-N 1 2 349.519 4.371 20 30 EIEDLO N#Cc1cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cs1 ZINC001178213304 1050406049 /nfs/dbraw/zinc/40/60/49/1050406049.db2.gz RFWWIBJOISVPPL-UHFFFAOYSA-N 1 2 332.432 4.147 20 30 EIEDLO C=CC[C@@](C)([NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173547053 1050479350 /nfs/dbraw/zinc/47/93/50/1050479350.db2.gz NONPBBSFUOYWLL-SJKOYZFVSA-N 1 2 344.282 4.412 20 30 EIEDLO C#CCC1(NC(=O)C[N@@H+](CC)Cc2ccccc2Cl)CCCCC1 ZINC001178770426 1050550011 /nfs/dbraw/zinc/55/00/11/1050550011.db2.gz VEPSOYVSQBEDHT-UHFFFAOYSA-N 1 2 346.902 4.004 20 30 EIEDLO C#CCC1(NC(=O)C[N@H+](CC)Cc2ccccc2Cl)CCCCC1 ZINC001178770426 1050550028 /nfs/dbraw/zinc/55/00/28/1050550028.db2.gz VEPSOYVSQBEDHT-UHFFFAOYSA-N 1 2 346.902 4.004 20 30 EIEDLO C=CCc1cc(CNc2ccc([NH+]3CCCC3)cc2)cc(OC)c1O ZINC000076274778 1050831768 /nfs/dbraw/zinc/83/17/68/1050831768.db2.gz WYGHSIURWKRQEZ-UHFFFAOYSA-N 1 2 338.451 4.342 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001190457288 1051192431 /nfs/dbraw/zinc/19/24/31/1051192431.db2.gz KFPBWWQOFRCTCI-OAHLLOKOSA-N 1 2 349.434 4.093 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001190457288 1051192436 /nfs/dbraw/zinc/19/24/36/1051192436.db2.gz KFPBWWQOFRCTCI-OAHLLOKOSA-N 1 2 349.434 4.093 20 30 EIEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC001190529329 1051206220 /nfs/dbraw/zinc/20/62/20/1051206220.db2.gz RIPRULQYJRLVNU-IBGZPJMESA-N 1 2 340.810 4.371 20 30 EIEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC001190529329 1051206231 /nfs/dbraw/zinc/20/62/31/1051206231.db2.gz RIPRULQYJRLVNU-IBGZPJMESA-N 1 2 340.810 4.371 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc(CC)cc2)no1)c1ccccc1 ZINC000775401391 1051237670 /nfs/dbraw/zinc/23/76/70/1051237670.db2.gz ZRJQDTPHFMTNOW-LJQANCHMSA-N 1 2 331.419 4.153 20 30 EIEDLO NC(Cc1ccccc1)=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000072001923 1051895350 /nfs/dbraw/zinc/89/53/50/1051895350.db2.gz SLGCUPUZZHCMJZ-UHFFFAOYSA-N 1 2 341.798 4.027 20 30 EIEDLO CCN(CC)c1ccc(Nc2cc(Br)ccc2C#N)c[nH+]1 ZINC001184865154 1052120811 /nfs/dbraw/zinc/12/08/11/1052120811.db2.gz OBOWUPDHIOTOLR-UHFFFAOYSA-N 1 2 345.244 4.306 20 30 EIEDLO Cc1cc(NCc2cc(C#N)ccc2Br)ccc1[NH+](C)C ZINC000864003310 1053125171 /nfs/dbraw/zinc/12/51/71/1053125171.db2.gz ISXHOKFSIKFADP-UHFFFAOYSA-N 1 2 344.256 4.307 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc3ccccc3s2)s1 ZINC000794714617 1053348431 /nfs/dbraw/zinc/34/84/31/1053348431.db2.gz RVLLALBXGIJYHA-FPLPWBNLSA-N 1 2 328.462 4.316 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775651400 1053379242 /nfs/dbraw/zinc/37/92/42/1053379242.db2.gz MYLWEHLNNUMXBW-UHFFFAOYSA-N 1 2 332.806 4.467 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775651400 1053379259 /nfs/dbraw/zinc/37/92/59/1053379259.db2.gz MYLWEHLNNUMXBW-UHFFFAOYSA-N 1 2 332.806 4.467 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000765000244 1053413272 /nfs/dbraw/zinc/41/32/72/1053413272.db2.gz HUHZHYFHDALBFY-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000765000244 1053413285 /nfs/dbraw/zinc/41/32/85/1053413285.db2.gz HUHZHYFHDALBFY-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000765075545 1053431739 /nfs/dbraw/zinc/43/17/39/1053431739.db2.gz GXMOWWNWDBLLNE-MRXNPFEDSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000765075545 1053431748 /nfs/dbraw/zinc/43/17/48/1053431748.db2.gz GXMOWWNWDBLLNE-MRXNPFEDSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000765075541 1053432371 /nfs/dbraw/zinc/43/23/71/1053432371.db2.gz GXMOWWNWDBLLNE-INIZCTEOSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000765075541 1053432372 /nfs/dbraw/zinc/43/23/72/1053432372.db2.gz GXMOWWNWDBLLNE-INIZCTEOSA-N 1 2 342.512 4.265 20 30 EIEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331027 1053571348 /nfs/dbraw/zinc/57/13/48/1053571348.db2.gz ITEMXUIZOJHJAO-JOCHJYFZSA-N 1 2 349.478 4.271 20 30 EIEDLO COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331027 1053571359 /nfs/dbraw/zinc/57/13/59/1053571359.db2.gz ITEMXUIZOJHJAO-JOCHJYFZSA-N 1 2 349.478 4.271 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000866221439 1053656965 /nfs/dbraw/zinc/65/69/65/1053656965.db2.gz PWLVTWGBSKBESC-KBPBESRZSA-N 1 2 349.434 4.024 20 30 EIEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(Cl)c(F)c1 ZINC000794916096 1053693337 /nfs/dbraw/zinc/69/33/37/1053693337.db2.gz XMCVNLSCQFRFJN-UHFFFAOYSA-N 1 2 343.793 4.001 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[NH+]2CCC(CC)(CC)CC2)c1=S ZINC000776771542 1053865271 /nfs/dbraw/zinc/86/52/71/1053865271.db2.gz HWAMYSGDYGZFHM-UHFFFAOYSA-N 1 2 334.533 4.337 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001198218657 1054097000 /nfs/dbraw/zinc/09/70/00/1054097000.db2.gz ITGLQIBENHEAIR-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001198218657 1054097006 /nfs/dbraw/zinc/09/70/06/1054097006.db2.gz ITGLQIBENHEAIR-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000078961854 1054426427 /nfs/dbraw/zinc/42/64/27/1054426427.db2.gz UOXKPAKINQKUSJ-KRWDZBQOSA-N 1 2 341.480 4.068 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000078961854 1054426438 /nfs/dbraw/zinc/42/64/38/1054426438.db2.gz UOXKPAKINQKUSJ-KRWDZBQOSA-N 1 2 341.480 4.068 20 30 EIEDLO CSc1nnc(SC)n1[NH+]=C[C@@H](C)c1cccc(Cl)c1 ZINC000872417921 1054445788 /nfs/dbraw/zinc/44/57/88/1054445788.db2.gz UDBNQGWDCOXJMF-SECBINFHSA-N 1 2 326.878 4.013 20 30 EIEDLO C=CCOc1ccccc1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000873174878 1054499838 /nfs/dbraw/zinc/49/98/38/1054499838.db2.gz AGTJFRIBHIMNGM-UHFFFAOYSA-N 1 2 326.440 4.044 20 30 EIEDLO CC(C)CCOc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876995876 1054997104 /nfs/dbraw/zinc/99/71/04/1054997104.db2.gz LNFYJLJAJHZOIL-UHFFFAOYSA-N 1 2 343.858 4.321 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503869 1055067814 /nfs/dbraw/zinc/06/78/14/1055067814.db2.gz WYHHITRLAGREPH-ZDUSSCGKSA-N 1 2 343.780 4.161 20 30 EIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000877503869 1055067831 /nfs/dbraw/zinc/06/78/31/1055067831.db2.gz WYHHITRLAGREPH-ZDUSSCGKSA-N 1 2 343.780 4.161 20 30 EIEDLO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2cc(F)ccc2O1 ZINC000877612959 1055090202 /nfs/dbraw/zinc/09/02/02/1055090202.db2.gz RPSUNNLDGOBQNQ-HNNXBMFYSA-N 1 2 345.805 4.138 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000878720477 1055381630 /nfs/dbraw/zinc/38/16/30/1055381630.db2.gz PEYCCBYIHOYQGN-VQTJNVASSA-N 1 2 337.467 4.187 20 30 EIEDLO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000765818453 1055533362 /nfs/dbraw/zinc/53/33/62/1055533362.db2.gz OKEMCZDQAWPRHT-FZKQIMNGSA-N 1 2 326.419 4.203 20 30 EIEDLO N#Cc1cc(Cl)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301212261 1055908549 /nfs/dbraw/zinc/90/85/49/1055908549.db2.gz VRRZLSJWKVWXMS-UHFFFAOYSA-N 1 2 326.762 4.149 20 30 EIEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168684531 1056720351 /nfs/dbraw/zinc/72/03/51/1056720351.db2.gz JZXAHFNAVKPPEK-MRVPVSSYSA-N 1 2 349.677 4.230 20 30 EIEDLO CCOc1ccc(/C=[NH+]/CCc2nc3ccccc3s2)c(O)c1 ZINC000743340551 1058923174 /nfs/dbraw/zinc/92/31/74/1058923174.db2.gz GSJPPEDJTRSFCG-XDHOZWIPSA-N 1 2 326.421 4.062 20 30 EIEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103309284 1060869169 /nfs/dbraw/zinc/86/91/69/1060869169.db2.gz XXXMIYUQNMOOMH-QGZVFWFLSA-N 1 2 334.508 4.226 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)CC2(C#N)CCC2)cc1 ZINC000450515408 1032539858 /nfs/dbraw/zinc/53/98/58/1032539858.db2.gz HSSABNDHYCHRPM-UHFFFAOYSA-N 1 2 333.410 4.393 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2(C#N)CCC2)cc1 ZINC000450515408 1032539863 /nfs/dbraw/zinc/53/98/63/1032539863.db2.gz HSSABNDHYCHRPM-UHFFFAOYSA-N 1 2 333.410 4.393 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C(F)F ZINC000274596878 1018824005 /nfs/dbraw/zinc/82/40/05/1018824005.db2.gz QHDCZGUGYVZWTD-UHFFFAOYSA-N 1 2 331.819 4.261 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C(F)F ZINC000274596878 1018824010 /nfs/dbraw/zinc/82/40/10/1018824010.db2.gz QHDCZGUGYVZWTD-UHFFFAOYSA-N 1 2 331.819 4.261 20 30 EIEDLO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccc(C#N)c1 ZINC000179617032 1019791119 /nfs/dbraw/zinc/79/11/19/1019791119.db2.gz HXALQKLUBPXESD-UHFFFAOYSA-N 1 2 328.419 4.137 20 30 EIEDLO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccc(C#N)c1 ZINC000179617032 1019791126 /nfs/dbraw/zinc/79/11/26/1019791126.db2.gz HXALQKLUBPXESD-UHFFFAOYSA-N 1 2 328.419 4.137 20 30 EIEDLO N#Cc1ccc(Nc2cccc3cc[nH+]cc32)c(Br)n1 ZINC001210223944 1020961782 /nfs/dbraw/zinc/96/17/82/1020961782.db2.gz KMBJFIBZNLXHCO-UHFFFAOYSA-N 1 2 325.169 4.008 20 30 EIEDLO C=C1CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001167329949 1021159124 /nfs/dbraw/zinc/15/91/24/1021159124.db2.gz PSPJYRCVBBXMKL-GOSISDBHSA-N 1 2 332.463 4.071 20 30 EIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114178 1022925333 /nfs/dbraw/zinc/92/53/33/1022925333.db2.gz GSGAWCNJLACQOW-SNVBAGLBSA-N 1 2 335.860 4.057 20 30 EIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114178 1022925349 /nfs/dbraw/zinc/92/53/49/1022925349.db2.gz GSGAWCNJLACQOW-SNVBAGLBSA-N 1 2 335.860 4.057 20 30 EIEDLO N#Cc1ccc2ncc(C[NH+]3CCC(=Cc4cccc(F)c4)CC3)n2c1 ZINC000584583322 1023055372 /nfs/dbraw/zinc/05/53/72/1023055372.db2.gz QDKYXLNGNUPKML-UHFFFAOYSA-N 1 2 346.409 4.024 20 30 EIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)CCC2 ZINC000376636600 1023246241 /nfs/dbraw/zinc/24/62/41/1023246241.db2.gz JPTWGUOIAMSAPI-CYBMUJFWSA-N 1 2 334.345 4.072 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549172876 1023417274 /nfs/dbraw/zinc/41/72/74/1023417274.db2.gz PIRDDTZLRLQZQQ-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549172876 1023417275 /nfs/dbraw/zinc/41/72/75/1023417275.db2.gz PIRDDTZLRLQZQQ-OAHLLOKOSA-N 1 2 326.337 4.252 20 30 EIEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2Br)c2ccco2)CC1 ZINC000926872835 1023559997 /nfs/dbraw/zinc/55/99/97/1023559997.db2.gz BTIGYLWKVCCOBL-OAHLLOKOSA-N 1 2 345.240 4.219 20 30 EIEDLO CCC[N@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccc(C#N)cc1 ZINC000119270179 1023661390 /nfs/dbraw/zinc/66/13/90/1023661390.db2.gz XWYCUVIDFLQVOB-UHFFFAOYSA-N 1 2 337.254 4.011 20 30 EIEDLO CCC[N@@H+](Cc1c(Cl)nc(Cl)n1C)Cc1ccc(C#N)cc1 ZINC000119270179 1023661397 /nfs/dbraw/zinc/66/13/97/1023661397.db2.gz XWYCUVIDFLQVOB-UHFFFAOYSA-N 1 2 337.254 4.011 20 30 EIEDLO N#Cc1cccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000178193908 1023821114 /nfs/dbraw/zinc/82/11/14/1023821114.db2.gz YHPLJPOIDALUGI-UHFFFAOYSA-N 1 2 328.419 4.370 20 30 EIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000617042721 1023947343 /nfs/dbraw/zinc/94/73/43/1023947343.db2.gz VGOKKRZNEUGHFF-QRVBRYPASA-N 1 2 337.467 4.183 20 30 EIEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000661421341 1024108601 /nfs/dbraw/zinc/10/86/01/1024108601.db2.gz ULFSAKXVVHEPDL-ROUUACIJSA-N 1 2 346.519 4.002 20 30 EIEDLO C=CCC1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1 ZINC000276816041 1024343802 /nfs/dbraw/zinc/34/38/02/1024343802.db2.gz MVFWLQJPIFYOSU-UHFFFAOYSA-N 1 2 333.435 4.287 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153170 1024588018 /nfs/dbraw/zinc/58/80/18/1024588018.db2.gz UBFVZBXQHHABOO-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153170 1024588057 /nfs/dbraw/zinc/58/80/57/1024588057.db2.gz UBFVZBXQHHABOO-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(C(C)C)c1C ZINC000894417642 1025897600 /nfs/dbraw/zinc/89/76/00/1025897600.db2.gz SJIPNHOXVNONTI-UHFFFAOYSA-N 1 2 343.519 4.437 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(C(C)C)c1C ZINC000894417642 1025897603 /nfs/dbraw/zinc/89/76/03/1025897603.db2.gz SJIPNHOXVNONTI-UHFFFAOYSA-N 1 2 343.519 4.437 20 30 EIEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517172 1025898762 /nfs/dbraw/zinc/89/87/62/1025898762.db2.gz ODEPHKNITXHYJG-ACJLOTCBSA-N 1 2 339.395 4.341 20 30 EIEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC001167517172 1025898765 /nfs/dbraw/zinc/89/87/65/1025898765.db2.gz ODEPHKNITXHYJG-ACJLOTCBSA-N 1 2 339.395 4.341 20 30 EIEDLO C=CC[C@H](C(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277469440 1026124449 /nfs/dbraw/zinc/12/44/49/1026124449.db2.gz HCBNAWAEHDHRIP-IBGZPJMESA-N 1 2 339.483 4.044 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000506925233 1026525923 /nfs/dbraw/zinc/52/59/23/1026525923.db2.gz DEZNKZOOBMRKPD-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccs1 ZINC000342788827 1027013951 /nfs/dbraw/zinc/01/39/51/1027013951.db2.gz NQMAHYFUOVSHDR-UHFFFAOYSA-N 1 2 328.481 4.372 20 30 EIEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccs1 ZINC000342788827 1027013959 /nfs/dbraw/zinc/01/39/59/1027013959.db2.gz NQMAHYFUOVSHDR-UHFFFAOYSA-N 1 2 328.481 4.372 20 30 EIEDLO CC(C)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(F)F ZINC000619432095 1027217638 /nfs/dbraw/zinc/21/76/38/1027217638.db2.gz SFQGPZKJUICENH-UHFFFAOYSA-N 1 2 330.378 4.271 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3cc(Br)cs3)c[nH+]c12 ZINC000782370995 1027496884 /nfs/dbraw/zinc/49/68/84/1027496884.db2.gz ZBBFPTNMQAWVLP-SNAWJCMRSA-N 1 2 347.237 4.363 20 30 EIEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1C#N ZINC001141895059 1027506602 /nfs/dbraw/zinc/50/66/02/1027506602.db2.gz ZYLWMVLXRRRCJR-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1C#N ZINC001141895059 1027506616 /nfs/dbraw/zinc/50/66/16/1027506616.db2.gz ZYLWMVLXRRRCJR-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO O=C(C[C@H]1CCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329106325 1027597358 /nfs/dbraw/zinc/59/73/58/1027597358.db2.gz OSNGIHODUGIVQT-OAHLLOKOSA-N 1 2 325.412 4.044 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(OC(F)(F)F)cc3)c[nH+]c12 ZINC000303950199 1027707705 /nfs/dbraw/zinc/70/77/05/1027707705.db2.gz ZAKHONXJKFKZAI-RMKNXTFCSA-N 1 2 346.308 4.437 20 30 EIEDLO COC(=O)C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(Cl)cc1 ZINC000444588825 1027876980 /nfs/dbraw/zinc/87/69/80/1027876980.db2.gz GMKJIQABWDOYCY-UHFFFAOYSA-N 1 2 336.863 4.035 20 30 EIEDLO COC(=O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(Cl)cc1 ZINC000444588825 1027876985 /nfs/dbraw/zinc/87/69/85/1027876985.db2.gz GMKJIQABWDOYCY-UHFFFAOYSA-N 1 2 336.863 4.035 20 30 EIEDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)CCO1 ZINC000331347055 1027962007 /nfs/dbraw/zinc/96/20/07/1027962007.db2.gz WJRAQYMIGUYIBA-IRXDYDNUSA-N 1 2 333.476 4.317 20 30 EIEDLO C[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329835679 1028136852 /nfs/dbraw/zinc/13/68/52/1028136852.db2.gz UXFHZTVQZPPKSG-GASCZTMLSA-N 1 2 338.455 4.305 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OCC)o1)c1ccc(F)c(F)c1 ZINC000187779874 1028204629 /nfs/dbraw/zinc/20/46/29/1028204629.db2.gz IOQGIVOCWKJOJJ-QGZVFWFLSA-N 1 2 335.350 4.142 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000187774465 1028204746 /nfs/dbraw/zinc/20/47/46/1028204746.db2.gz UXMFTNQXHGADCY-GOSISDBHSA-N 1 2 348.349 4.289 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000161707778 1028725269 /nfs/dbraw/zinc/72/52/69/1028725269.db2.gz UJHNLKHHRPRFJU-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000161707778 1028725287 /nfs/dbraw/zinc/72/52/87/1028725287.db2.gz UJHNLKHHRPRFJU-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(Br)c1 ZINC000346968907 1028833910 /nfs/dbraw/zinc/83/39/10/1028833910.db2.gz FSBPMDPKAIDIGH-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(Br)c1 ZINC000346968907 1028833911 /nfs/dbraw/zinc/83/39/11/1028833911.db2.gz FSBPMDPKAIDIGH-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000583646672 1028987413 /nfs/dbraw/zinc/98/74/13/1028987413.db2.gz CISZLVSMUYDTMG-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000583646672 1028987435 /nfs/dbraw/zinc/98/74/35/1028987435.db2.gz CISZLVSMUYDTMG-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCCCC12CCCC2 ZINC000329625122 1029537119 /nfs/dbraw/zinc/53/71/19/1029537119.db2.gz OLPAMWOTQVVILM-ZWKOTPCHSA-N 1 2 344.503 4.073 20 30 EIEDLO CCc1noc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611807431 1029642249 /nfs/dbraw/zinc/64/22/49/1029642249.db2.gz CNNATSDDKRPJMU-AWEZNQCLSA-N 1 2 332.407 4.021 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc(Br)cs1 ZINC000588601146 1029842232 /nfs/dbraw/zinc/84/22/32/1029842232.db2.gz LARHLLQMQCIXAD-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(OCCC(C)C)c1 ZINC000584439185 1029870899 /nfs/dbraw/zinc/87/08/99/1029870899.db2.gz JEYXTSQEONEWPW-UHFFFAOYSA-N 1 2 329.469 4.038 20 30 EIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182386408 1029964896 /nfs/dbraw/zinc/96/48/96/1029964896.db2.gz DNOSQIZFDQYQRL-INIZCTEOSA-N 1 2 340.389 4.409 20 30 EIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182386408 1029964914 /nfs/dbraw/zinc/96/49/14/1029964914.db2.gz DNOSQIZFDQYQRL-INIZCTEOSA-N 1 2 340.389 4.409 20 30 EIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184008575 1030033726 /nfs/dbraw/zinc/03/37/26/1030033726.db2.gz SHNPQRLGMPGHCT-INIZCTEOSA-N 1 2 340.389 4.409 20 30 EIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184008575 1030033745 /nfs/dbraw/zinc/03/37/45/1030033745.db2.gz SHNPQRLGMPGHCT-INIZCTEOSA-N 1 2 340.389 4.409 20 30 EIEDLO COc1ccc(C[C@H](C)C[N@H+](CCC#N)Cc2ccco2)cc1F ZINC000185234270 1030134108 /nfs/dbraw/zinc/13/41/08/1030134108.db2.gz HONJFZGSTZYDPI-HNNXBMFYSA-N 1 2 330.403 4.022 20 30 EIEDLO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)Cc2ccco2)cc1F ZINC000185234270 1030134131 /nfs/dbraw/zinc/13/41/31/1030134131.db2.gz HONJFZGSTZYDPI-HNNXBMFYSA-N 1 2 330.403 4.022 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000527112134 1030500674 /nfs/dbraw/zinc/50/06/74/1030500674.db2.gz LFZSIBWNUYMFSI-GOSISDBHSA-N 1 2 336.826 4.425 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000527112134 1030500694 /nfs/dbraw/zinc/50/06/94/1030500694.db2.gz LFZSIBWNUYMFSI-GOSISDBHSA-N 1 2 336.826 4.425 20 30 EIEDLO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191110 1030547473 /nfs/dbraw/zinc/54/74/73/1030547473.db2.gz MBDMMIDEOLFGMI-ROUUACIJSA-N 1 2 349.478 4.007 20 30 EIEDLO C=CCCC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000658097991 1030823621 /nfs/dbraw/zinc/82/36/21/1030823621.db2.gz KYKJPLXAWQMJES-QGZVFWFLSA-N 1 2 328.435 4.149 20 30 EIEDLO C=CCC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000448659879 1030929084 /nfs/dbraw/zinc/92/90/84/1030929084.db2.gz GZWZPYBFCYVGQX-UHFFFAOYSA-N 1 2 337.467 4.074 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2csc(-c3ccoc3)n2)C2CC2)cc1 ZINC000170985400 1031156198 /nfs/dbraw/zinc/15/61/98/1031156198.db2.gz DMMSBYXFDOBZQB-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2csc(-c3ccoc3)n2)C2CC2)cc1 ZINC000170985400 1031156214 /nfs/dbraw/zinc/15/62/14/1031156214.db2.gz DMMSBYXFDOBZQB-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129844745 1031357458 /nfs/dbraw/zinc/35/74/58/1031357458.db2.gz SZYLXIRNLJYNPG-KUHUBIRLSA-N 1 2 346.434 4.087 20 30 EIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)o1 ZINC000129844745 1031357475 /nfs/dbraw/zinc/35/74/75/1031357475.db2.gz SZYLXIRNLJYNPG-KUHUBIRLSA-N 1 2 346.434 4.087 20 30 EIEDLO C#CCCOc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000113331051 1031361562 /nfs/dbraw/zinc/36/15/62/1031361562.db2.gz CFZSJFODOSHNMZ-FQEVSTJZSA-N 1 2 348.471 4.424 20 30 EIEDLO Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc[nH+]1 ZINC000179861716 1031426203 /nfs/dbraw/zinc/42/62/03/1031426203.db2.gz LBBLFABEFASSTR-UHFFFAOYSA-N 1 2 329.359 4.306 20 30 EIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)CCC2 ZINC000364921115 1031441542 /nfs/dbraw/zinc/44/15/42/1031441542.db2.gz VMAWJCRCMFWJFO-CYBMUJFWSA-N 1 2 334.345 4.072 20 30 EIEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCCC(C)C ZINC000612406132 1031487404 /nfs/dbraw/zinc/48/74/04/1031487404.db2.gz IWYPUKYBYFCUFK-FQEVSTJZSA-N 1 2 330.472 4.246 20 30 EIEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCCC(C)C ZINC000612406132 1031487416 /nfs/dbraw/zinc/48/74/16/1031487416.db2.gz IWYPUKYBYFCUFK-FQEVSTJZSA-N 1 2 330.472 4.246 20 30 EIEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235454 1031564656 /nfs/dbraw/zinc/56/46/56/1031564656.db2.gz VYBIFFGUQCDEAH-QGZVFWFLSA-N 1 2 336.464 4.234 20 30 EIEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235454 1031564669 /nfs/dbraw/zinc/56/46/69/1031564669.db2.gz VYBIFFGUQCDEAH-QGZVFWFLSA-N 1 2 336.464 4.234 20 30 EIEDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254468 1031570667 /nfs/dbraw/zinc/57/06/67/1031570667.db2.gz XQRXDIKBZOQHPI-WBTXTPOCSA-N 1 2 342.483 4.001 20 30 EIEDLO COc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c(OC)c1 ZINC000528667416 1031758673 /nfs/dbraw/zinc/75/86/73/1031758673.db2.gz AUOASYLPKIMWRB-LBPRGKRZSA-N 1 2 330.815 4.080 20 30 EIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1[nH+]ccc2c(N)cccc21 ZINC000663904750 1033574869 /nfs/dbraw/zinc/57/48/69/1033574869.db2.gz HOOZUXZYYCRXLM-UHFFFAOYSA-N 1 2 335.455 4.177 20 30 EIEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000614329912 1034223604 /nfs/dbraw/zinc/22/36/04/1034223604.db2.gz SATIWGFFWOFJIL-HNNXBMFYSA-N 1 2 332.875 4.066 20 30 EIEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000614329912 1034223619 /nfs/dbraw/zinc/22/36/19/1034223619.db2.gz SATIWGFFWOFJIL-HNNXBMFYSA-N 1 2 332.875 4.066 20 30 EIEDLO CCCCCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729409585 1034812619 /nfs/dbraw/zinc/81/26/19/1034812619.db2.gz JTJIKNINSBTDGK-KRWDZBQOSA-N 1 2 332.488 4.379 20 30 EIEDLO Cc1ccccc1Nc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595611547 1035747362 /nfs/dbraw/zinc/74/73/62/1035747362.db2.gz KXSICDNGYBWYLE-HNNXBMFYSA-N 1 2 326.469 4.321 20 30 EIEDLO Cc1ccccc1Nc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595611547 1035747376 /nfs/dbraw/zinc/74/73/76/1035747376.db2.gz KXSICDNGYBWYLE-HNNXBMFYSA-N 1 2 326.469 4.321 20 30 EIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000595613896 1035750660 /nfs/dbraw/zinc/75/06/60/1035750660.db2.gz IVFASQFLTFKUBS-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000595613896 1035750685 /nfs/dbraw/zinc/75/06/85/1035750685.db2.gz IVFASQFLTFKUBS-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO Cc1ccccc1Nc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595611548 1035751421 /nfs/dbraw/zinc/75/14/21/1035751421.db2.gz KXSICDNGYBWYLE-OAHLLOKOSA-N 1 2 326.469 4.321 20 30 EIEDLO Cc1ccccc1Nc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595611548 1035751432 /nfs/dbraw/zinc/75/14/32/1035751432.db2.gz KXSICDNGYBWYLE-OAHLLOKOSA-N 1 2 326.469 4.321 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889138 1035802974 /nfs/dbraw/zinc/80/29/74/1035802974.db2.gz HMSDTPVZAAZVRP-ZFWWWQNUSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889138 1035802978 /nfs/dbraw/zinc/80/29/78/1035802978.db2.gz HMSDTPVZAAZVRP-ZFWWWQNUSA-N 1 2 340.389 4.029 20 30 EIEDLO CCc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc[nH+]1 ZINC001168410115 1035962026 /nfs/dbraw/zinc/96/20/26/1035962026.db2.gz UIOSRORVSUCZGB-UHFFFAOYSA-N 1 2 326.399 4.243 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000502322662 1036078983 /nfs/dbraw/zinc/07/89/83/1036078983.db2.gz ZZQHNDQNPCCEEQ-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000502322662 1036079000 /nfs/dbraw/zinc/07/90/00/1036079000.db2.gz ZZQHNDQNPCCEEQ-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000597229957 1036161326 /nfs/dbraw/zinc/16/13/26/1036161326.db2.gz OJRGCMWNKYUTAG-KRWDZBQOSA-N 1 2 345.786 4.244 20 30 EIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000597229957 1036161336 /nfs/dbraw/zinc/16/13/36/1036161336.db2.gz OJRGCMWNKYUTAG-KRWDZBQOSA-N 1 2 345.786 4.244 20 30 EIEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)CC2 ZINC000571812235 1036261395 /nfs/dbraw/zinc/26/13/95/1036261395.db2.gz FCVNFGRLHDRSAH-IRXDYDNUSA-N 1 2 347.245 4.176 20 30 EIEDLO C#CCCOc1ccc(CNc2cc(CSCC)cc[nH+]2)cc1 ZINC000761343983 1037008195 /nfs/dbraw/zinc/00/81/95/1037008195.db2.gz UQPUYTSEADJJCT-UHFFFAOYSA-N 1 2 326.465 4.349 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000591853924 1037640245 /nfs/dbraw/zinc/64/02/45/1037640245.db2.gz CGBRMTURHPBKCO-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000591853924 1037640266 /nfs/dbraw/zinc/64/02/66/1037640266.db2.gz CGBRMTURHPBKCO-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO CCCCCOc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OC ZINC000545927854 1037700010 /nfs/dbraw/zinc/70/00/10/1037700010.db2.gz WVSKMFXAQANBGW-UHFFFAOYSA-N 1 2 339.439 4.337 20 30 EIEDLO CC(C)[N@H+](Cc1cccc(Br)c1)Cc1ccncc1C#N ZINC000592061216 1037723988 /nfs/dbraw/zinc/72/39/88/1037723988.db2.gz AIVDQTAHDCWVFR-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1ccncc1C#N ZINC000592061216 1037724008 /nfs/dbraw/zinc/72/40/08/1037724008.db2.gz AIVDQTAHDCWVFR-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO C=CCC[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000489018510 1037839181 /nfs/dbraw/zinc/83/91/81/1037839181.db2.gz UTXVNEDXKFRGCU-NRFANRHFSA-N 1 2 345.446 4.239 20 30 EIEDLO CCC[N@H+](Cc1ccccc1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033643 1038313123 /nfs/dbraw/zinc/31/31/23/1038313123.db2.gz PZSWFRHUVCASHL-KRWDZBQOSA-N 1 2 335.451 4.106 20 30 EIEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033643 1038313145 /nfs/dbraw/zinc/31/31/45/1038313145.db2.gz PZSWFRHUVCASHL-KRWDZBQOSA-N 1 2 335.451 4.106 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000537622460 1038985329 /nfs/dbraw/zinc/98/53/29/1038985329.db2.gz XUNKCVVWUJZHAW-LOFRFSAXSA-N 1 2 347.418 4.380 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000537622460 1038985346 /nfs/dbraw/zinc/98/53/46/1038985346.db2.gz XUNKCVVWUJZHAW-LOFRFSAXSA-N 1 2 347.418 4.380 20 30 EIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccc(F)cc1C(F)(F)F ZINC000505273721 1039184303 /nfs/dbraw/zinc/18/43/03/1039184303.db2.gz QAPKWMBDHCMAEV-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccc(F)cc1C(F)(F)F ZINC000505273721 1039184310 /nfs/dbraw/zinc/18/43/10/1039184310.db2.gz QAPKWMBDHCMAEV-UHFFFAOYSA-N 1 2 340.295 4.487 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cc(C#N)cs3)[C@@H](C)CO2)c1 ZINC000537633461 1039261439 /nfs/dbraw/zinc/26/14/39/1039261439.db2.gz PXYZOMGRTBIPCT-KXBFYZLASA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cc(C#N)cs3)[C@@H](C)CO2)c1 ZINC000537633461 1039261459 /nfs/dbraw/zinc/26/14/59/1039261459.db2.gz PXYZOMGRTBIPCT-KXBFYZLASA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1cc2[nH]c(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2c(C)c1 ZINC000481986982 1039929839 /nfs/dbraw/zinc/92/98/39/1039929839.db2.gz WAZANBHBLGJVDN-QFIPXVFZSA-N 1 2 345.446 4.230 20 30 EIEDLO Cc1cc2[nH]c(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2c(C)c1 ZINC000481986982 1039929853 /nfs/dbraw/zinc/92/98/53/1039929853.db2.gz WAZANBHBLGJVDN-QFIPXVFZSA-N 1 2 345.446 4.230 20 30 EIEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)c1C#N ZINC000535221532 1040080401 /nfs/dbraw/zinc/08/04/01/1040080401.db2.gz UMMRSVKKCOYOKG-CQSZACIVSA-N 1 2 348.402 4.284 20 30 EIEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)c1C#N ZINC000535221532 1040080418 /nfs/dbraw/zinc/08/04/18/1040080418.db2.gz UMMRSVKKCOYOKG-CQSZACIVSA-N 1 2 348.402 4.284 20 30 EIEDLO C=CCC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000425316353 1040232929 /nfs/dbraw/zinc/23/29/29/1040232929.db2.gz PQHHWSPGJKDZTB-GOSISDBHSA-N 1 2 337.467 4.184 20 30 EIEDLO C=CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535523088 1040326101 /nfs/dbraw/zinc/32/61/01/1040326101.db2.gz DKSZQZWECUKRBW-UHFFFAOYSA-N 1 2 349.390 4.438 20 30 EIEDLO C=CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535523088 1040326122 /nfs/dbraw/zinc/32/61/22/1040326122.db2.gz DKSZQZWECUKRBW-UHFFFAOYSA-N 1 2 349.390 4.438 20 30 EIEDLO C#CC[N@@H+](Cc1cc(F)cc(F)c1OC)[C@@H]1CCc2ccccc21 ZINC001143560728 1040490918 /nfs/dbraw/zinc/49/09/18/1040490918.db2.gz CWFCLDTTWMTTQY-LJQANCHMSA-N 1 2 327.374 4.096 20 30 EIEDLO C#CC[N@H+](Cc1cc(F)cc(F)c1OC)[C@@H]1CCc2ccccc21 ZINC001143560728 1040490931 /nfs/dbraw/zinc/49/09/31/1040490931.db2.gz CWFCLDTTWMTTQY-LJQANCHMSA-N 1 2 327.374 4.096 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC2CC2)c1F ZINC000668145489 1040533093 /nfs/dbraw/zinc/53/30/93/1040533093.db2.gz MODBWROTMMKCBK-UHFFFAOYSA-N 1 2 345.414 4.031 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC2CC2)c1F ZINC000668145489 1040533110 /nfs/dbraw/zinc/53/31/10/1040533110.db2.gz MODBWROTMMKCBK-UHFFFAOYSA-N 1 2 345.414 4.031 20 30 EIEDLO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)c(F)c1 ZINC000539608348 1040604242 /nfs/dbraw/zinc/60/42/42/1040604242.db2.gz FSROJDGLLIEOHQ-LLVKDONJSA-N 1 2 327.384 4.265 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCCCCC ZINC000553892512 1040606707 /nfs/dbraw/zinc/60/67/07/1040606707.db2.gz SHFNTLZIMXASRB-ZDUSSCGKSA-N 1 2 328.909 4.084 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCCCCC ZINC000553892512 1040606715 /nfs/dbraw/zinc/60/67/15/1040606715.db2.gz SHFNTLZIMXASRB-ZDUSSCGKSA-N 1 2 328.909 4.084 20 30 EIEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000436174962 1040940440 /nfs/dbraw/zinc/94/04/40/1040940440.db2.gz KYZPERWSDOOZNS-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO O=C(Nc1ccccc1)[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000483935012 1041071668 /nfs/dbraw/zinc/07/16/68/1041071668.db2.gz QXFFOUHZZMRQGI-JOCHJYFZSA-N 1 2 340.426 4.008 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000480497230 1041336033 /nfs/dbraw/zinc/33/60/33/1041336033.db2.gz FDIXFMLRIYRLFX-QGZVFWFLSA-N 1 2 346.883 4.454 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000480497230 1041336043 /nfs/dbraw/zinc/33/60/43/1041336043.db2.gz FDIXFMLRIYRLFX-QGZVFWFLSA-N 1 2 346.883 4.454 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000480712582 1041492567 /nfs/dbraw/zinc/49/25/67/1041492567.db2.gz UAXUOOLHGOIGCR-UHFFFAOYSA-N 1 2 343.833 4.427 20 30 EIEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000538752935 1041530673 /nfs/dbraw/zinc/53/06/73/1041530673.db2.gz XWIAFZWOWOULKX-HNAYVOBHSA-N 1 2 329.465 4.275 20 30 EIEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000538752935 1041530675 /nfs/dbraw/zinc/53/06/75/1041530675.db2.gz XWIAFZWOWOULKX-HNAYVOBHSA-N 1 2 329.465 4.275 20 30 EIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OCC)c(OC)c2)n1)C1CC1 ZINC000538955973 1041590804 /nfs/dbraw/zinc/59/08/04/1041590804.db2.gz NMRBXUXJUZFCIP-UHFFFAOYSA-N 1 2 344.480 4.368 20 30 EIEDLO C=CC[N@H+](Cc1csc(-c2ccc(OCC)c(OC)c2)n1)C1CC1 ZINC000538955973 1041590813 /nfs/dbraw/zinc/59/08/13/1041590813.db2.gz NMRBXUXJUZFCIP-UHFFFAOYSA-N 1 2 344.480 4.368 20 30 EIEDLO C=CC[C@H](CC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463714344 1041715593 /nfs/dbraw/zinc/71/55/93/1041715593.db2.gz VVSOHJNFFKZQNJ-INIZCTEOSA-N 1 2 338.455 4.363 20 30 EIEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)c1C#N ZINC000541660933 1042061971 /nfs/dbraw/zinc/06/19/71/1042061971.db2.gz UEPGMYPIRXENBC-CQSZACIVSA-N 1 2 348.402 4.250 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)o1 ZINC000152545132 1042896589 /nfs/dbraw/zinc/89/65/89/1042896589.db2.gz OXZFOCXVQWFJSR-UHFFFAOYSA-N 1 2 347.148 4.349 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc([C@H](C)OCC)n1 ZINC000076723014 1043140240 /nfs/dbraw/zinc/14/02/40/1043140240.db2.gz FYRLOUVPQDUKFD-INIZCTEOSA-N 1 2 330.497 4.471 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc([C@H](C)OCC)n1 ZINC000076723014 1043140245 /nfs/dbraw/zinc/14/02/45/1043140245.db2.gz FYRLOUVPQDUKFD-INIZCTEOSA-N 1 2 330.497 4.471 20 30 EIEDLO C=CCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000132509101 1043161715 /nfs/dbraw/zinc/16/17/15/1043161715.db2.gz KBRIQJDYFQWLNF-UHFFFAOYSA-N 1 2 347.459 4.365 20 30 EIEDLO C=CCCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000132509101 1043161720 /nfs/dbraw/zinc/16/17/20/1043161720.db2.gz KBRIQJDYFQWLNF-UHFFFAOYSA-N 1 2 347.459 4.365 20 30 EIEDLO C[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000520792479 1043282398 /nfs/dbraw/zinc/28/23/98/1043282398.db2.gz QVKFYRCEJNFNDY-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO C[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000520792479 1043282410 /nfs/dbraw/zinc/28/24/10/1043282410.db2.gz QVKFYRCEJNFNDY-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000672552204 1043285708 /nfs/dbraw/zinc/28/57/08/1043285708.db2.gz PPGHRKNODWRRDT-QMMMGPOBSA-N 1 2 333.222 4.368 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000672552204 1043285719 /nfs/dbraw/zinc/28/57/19/1043285719.db2.gz PPGHRKNODWRRDT-QMMMGPOBSA-N 1 2 333.222 4.368 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)cc1 ZINC000543545254 1043289663 /nfs/dbraw/zinc/28/96/63/1043289663.db2.gz JKESWQZYJGDWNJ-OAHLLOKOSA-N 1 2 346.434 4.216 20 30 EIEDLO Fc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674464249 1043694077 /nfs/dbraw/zinc/69/40/77/1043694077.db2.gz YHROPHZUTLJMHI-DTORHVGOSA-N 1 2 333.222 4.137 20 30 EIEDLO Fc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674464249 1043694086 /nfs/dbraw/zinc/69/40/86/1043694086.db2.gz YHROPHZUTLJMHI-DTORHVGOSA-N 1 2 333.222 4.137 20 30 EIEDLO C[C@]1(C#N)CC[N@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001141720937 1044316588 /nfs/dbraw/zinc/31/65/88/1044316588.db2.gz ANQFSJUHYWDQFE-QGZVFWFLSA-N 1 2 329.241 4.338 20 30 EIEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001141720937 1044316605 /nfs/dbraw/zinc/31/66/05/1044316605.db2.gz ANQFSJUHYWDQFE-QGZVFWFLSA-N 1 2 329.241 4.338 20 30 EIEDLO CC[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000474142723 1044666077 /nfs/dbraw/zinc/66/60/77/1044666077.db2.gz ARZAHBOGSHCUBX-JTQLQIEISA-N 1 2 349.194 4.449 20 30 EIEDLO CC[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000474142723 1044666096 /nfs/dbraw/zinc/66/60/96/1044666096.db2.gz ARZAHBOGSHCUBX-JTQLQIEISA-N 1 2 349.194 4.449 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[NH+]2CCC(C(C)(C)C)CC2)c1=S ZINC000734829550 1044692485 /nfs/dbraw/zinc/69/24/85/1044692485.db2.gz QZSJPWKYKMHICP-UHFFFAOYSA-N 1 2 334.533 4.193 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783178 1044769339 /nfs/dbraw/zinc/76/93/39/1044769339.db2.gz KHJOWWARURWBAQ-UHFFFAOYSA-N 1 2 348.475 4.319 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000914783178 1044769354 /nfs/dbraw/zinc/76/93/54/1044769354.db2.gz KHJOWWARURWBAQ-UHFFFAOYSA-N 1 2 348.475 4.319 20 30 EIEDLO N#Cc1ccc(F)c(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884710 1044817613 /nfs/dbraw/zinc/81/76/13/1044817613.db2.gz HHSTZFSTBDFXIJ-ZWKOTPCHSA-N 1 2 348.381 4.303 20 30 EIEDLO Clc1nc(N2CCCC2)sc1C=[NH+]Nc1ccc(Cl)cc1 ZINC000735970960 1044884670 /nfs/dbraw/zinc/88/46/70/1044884670.db2.gz LWSJWENQIQTJNS-UHFFFAOYSA-N 1 2 341.267 4.496 20 30 EIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccccc2OCC)oc1=S ZINC000736589390 1044958619 /nfs/dbraw/zinc/95/86/19/1044958619.db2.gz DWVBQTSPMQQTHR-UHFFFAOYSA-N 1 2 333.457 4.127 20 30 EIEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccccc2OCC)oc1=S ZINC000736589390 1044958634 /nfs/dbraw/zinc/95/86/34/1044958634.db2.gz DWVBQTSPMQQTHR-UHFFFAOYSA-N 1 2 333.457 4.127 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738224499 1045043647 /nfs/dbraw/zinc/04/36/47/1045043647.db2.gz NNMUKTDOKFOYJL-AWEZNQCLSA-N 1 2 332.473 4.082 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738224499 1045043663 /nfs/dbraw/zinc/04/36/63/1045043663.db2.gz NNMUKTDOKFOYJL-AWEZNQCLSA-N 1 2 332.473 4.082 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC000738237786 1045050481 /nfs/dbraw/zinc/05/04/81/1045050481.db2.gz CKVWSZJTYSVACQ-HNNXBMFYSA-N 1 2 334.533 4.193 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC000738237786 1045050495 /nfs/dbraw/zinc/05/04/95/1045050495.db2.gz CKVWSZJTYSVACQ-HNNXBMFYSA-N 1 2 334.533 4.193 20 30 EIEDLO CC1CC[NH+](c2ccc(Nc3c(C#N)nnc4ccccc43)cc2)CC1 ZINC000740864708 1045231877 /nfs/dbraw/zinc/23/18/77/1045231877.db2.gz LVDLKPYVIMIZRC-UHFFFAOYSA-N 1 2 343.434 4.481 20 30 EIEDLO COC[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611119147 1045254083 /nfs/dbraw/zinc/25/40/83/1045254083.db2.gz XCNPDEGWFURCQJ-QGZVFWFLSA-N 1 2 334.341 4.054 20 30 EIEDLO CC[N@H+](Cc1c(Cl)nc2ccccn21)[C@H](C)c1ccc(C#N)cc1 ZINC000768516322 1045818428 /nfs/dbraw/zinc/81/84/28/1045818428.db2.gz WTPRNWAFSROMNK-CQSZACIVSA-N 1 2 338.842 4.442 20 30 EIEDLO CC[N@@H+](Cc1c(Cl)nc2ccccn21)[C@H](C)c1ccc(C#N)cc1 ZINC000768516322 1045818432 /nfs/dbraw/zinc/81/84/32/1045818432.db2.gz WTPRNWAFSROMNK-CQSZACIVSA-N 1 2 338.842 4.442 20 30 EIEDLO C#CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(F)cc1 ZINC000769145598 1045883625 /nfs/dbraw/zinc/88/36/25/1045883625.db2.gz ILPVYXMOLTZRIQ-UHFFFAOYSA-N 1 2 327.447 4.029 20 30 EIEDLO C#CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(F)cc1 ZINC000769145598 1045883617 /nfs/dbraw/zinc/88/36/17/1045883617.db2.gz ILPVYXMOLTZRIQ-UHFFFAOYSA-N 1 2 327.447 4.029 20 30 EIEDLO O=C1/C(=C/c2cccc3[nH+]ccn32)CC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000769608148 1046032724 /nfs/dbraw/zinc/03/27/24/1046032724.db2.gz QHOJRJDOZAHYTF-GYPBQELOSA-N 1 2 345.358 4.072 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Br)c(F)c1 ZINC000769615273 1046034130 /nfs/dbraw/zinc/03/41/30/1046034130.db2.gz PSRBBXNQHYOLHJ-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1coc(-c2ccccc2)n1 ZINC000162246158 1046159328 /nfs/dbraw/zinc/15/93/28/1046159328.db2.gz YUIIBUOMJDJZIR-UHFFFAOYSA-N 1 2 334.379 4.031 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1=S ZINC000793535526 1046274949 /nfs/dbraw/zinc/27/49/49/1046274949.db2.gz XKHXPIBCAAMUIQ-WBVHZDCISA-N 1 2 349.450 4.293 20 30 EIEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1=S ZINC000793535526 1046274967 /nfs/dbraw/zinc/27/49/67/1046274967.db2.gz XKHXPIBCAAMUIQ-WBVHZDCISA-N 1 2 349.450 4.293 20 30 EIEDLO Fc1ccc(C=NNc2cc[nH+]c3ccccc23)c(C(F)(F)F)c1 ZINC000771884870 1046510690 /nfs/dbraw/zinc/51/06/90/1046510690.db2.gz RCHIBQSPTJUPQN-UHFFFAOYSA-N 1 2 333.288 4.261 20 30 EIEDLO CC[C@H]1C[C@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440856 1046667282 /nfs/dbraw/zinc/66/72/82/1046667282.db2.gz ANMZGVGBEZFMLN-OXJNMPFZSA-N 1 2 335.407 4.190 20 30 EIEDLO C[C@H]1C[C@@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000459439631 1046683747 /nfs/dbraw/zinc/68/37/47/1046683747.db2.gz WDLRNSLMXLWDOR-SGTLLEGYSA-N 1 2 341.798 4.145 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732215 1046729563 /nfs/dbraw/zinc/72/95/63/1046729563.db2.gz YEZJKNGMXLHMHN-SJORKVTESA-N 1 2 337.442 4.137 20 30 EIEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCc2ccccc21 ZINC000917119510 1046734378 /nfs/dbraw/zinc/73/43/78/1046734378.db2.gz JCBVIBJYECQBNR-OAQYLSRUSA-N 1 2 346.474 4.173 20 30 EIEDLO C#CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCc2ccccc21 ZINC000917119510 1046734393 /nfs/dbraw/zinc/73/43/93/1046734393.db2.gz JCBVIBJYECQBNR-OAQYLSRUSA-N 1 2 346.474 4.173 20 30 EIEDLO CC[C@H]1CC([NH2+]C2(C#N)CCCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469479 1046825874 /nfs/dbraw/zinc/82/58/74/1046825874.db2.gz LDTDIILNQBHLIV-IRXDYDNUSA-N 1 2 349.519 4.369 20 30 EIEDLO C=CC[N@H+](Cn1c(C2CC2)nn(-c2ccccc2)c1=S)C(C)C ZINC000917481674 1046902721 /nfs/dbraw/zinc/90/27/21/1046902721.db2.gz UUGYACDOADGFOY-UHFFFAOYSA-N 1 2 328.485 4.135 20 30 EIEDLO C=CC[N@@H+](Cn1c(C2CC2)nn(-c2ccccc2)c1=S)C(C)C ZINC000917481674 1046902755 /nfs/dbraw/zinc/90/27/55/1046902755.db2.gz UUGYACDOADGFOY-UHFFFAOYSA-N 1 2 328.485 4.135 20 30 EIEDLO N#Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c(Cl)c1 ZINC000788357565 1047173681 /nfs/dbraw/zinc/17/36/81/1047173681.db2.gz AKVXBLZZYVUGOW-HWKANZROSA-N 1 2 342.185 4.409 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000807593000 1047477467 /nfs/dbraw/zinc/47/74/67/1047477467.db2.gz XLQBMSJXBJIFBU-KRWDZBQOSA-N 1 2 332.492 4.215 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000807592818 1047478403 /nfs/dbraw/zinc/47/84/03/1047478403.db2.gz UMIWOFRBVPOGNU-OALUTQOASA-N 1 2 346.519 4.392 20 30 EIEDLO Cn1cc[nH+]c1NN=Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000790302669 1047562500 /nfs/dbraw/zinc/56/25/00/1047562500.db2.gz WPMMTAHJRSGMQC-UHFFFAOYSA-N 1 2 344.777 4.451 20 30 EIEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001171062915 1047903727 /nfs/dbraw/zinc/90/37/27/1047903727.db2.gz DDUBAQMVEQIBMG-HXUWFJFHSA-N 1 2 342.402 4.027 20 30 EIEDLO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1C(F)(F)F ZINC001143636153 1048129308 /nfs/dbraw/zinc/12/93/08/1048129308.db2.gz ABTWWEWXWACRHI-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1C(F)(F)F ZINC001143636153 1048129313 /nfs/dbraw/zinc/12/93/13/1048129313.db2.gz ABTWWEWXWACRHI-UHFFFAOYSA-N 1 2 346.352 4.144 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001143722470 1048174887 /nfs/dbraw/zinc/17/48/87/1048174887.db2.gz AZOYUEIQHSTQHG-QGZVFWFLSA-N 1 2 326.827 4.255 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001143722470 1048174889 /nfs/dbraw/zinc/17/48/89/1048174889.db2.gz AZOYUEIQHSTQHG-QGZVFWFLSA-N 1 2 326.827 4.255 20 30 EIEDLO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143723427 1048175389 /nfs/dbraw/zinc/17/53/89/1048175389.db2.gz PHLFQXTXZLRHKH-MRXNPFEDSA-N 1 2 326.827 4.173 20 30 EIEDLO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143723427 1048175394 /nfs/dbraw/zinc/17/53/94/1048175394.db2.gz PHLFQXTXZLRHKH-MRXNPFEDSA-N 1 2 326.827 4.173 20 30 EIEDLO C[N@@H+](Cc1cc(Cl)sc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844371709 1048298405 /nfs/dbraw/zinc/29/84/05/1048298405.db2.gz QQUKEEQMEKKUNR-ZDUSSCGKSA-N 1 2 341.263 4.092 20 30 EIEDLO C[N@H+](Cc1cc(Cl)sc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844371709 1048298420 /nfs/dbraw/zinc/29/84/20/1048298420.db2.gz QQUKEEQMEKKUNR-ZDUSSCGKSA-N 1 2 341.263 4.092 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1 ZINC000809652758 1048452572 /nfs/dbraw/zinc/45/25/72/1048452572.db2.gz YECBEVYGRSEFNS-HNNXBMFYSA-N 1 2 331.419 4.131 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1F ZINC000809699852 1048465398 /nfs/dbraw/zinc/46/53/98/1048465398.db2.gz XVTIYBLPYBXJAG-LJQANCHMSA-N 1 2 339.801 4.129 20 30 EIEDLO CCOc1ccc(/C=[NH+]/C[C@@H](C)COCc2ccccc2)c(O)c1 ZINC000920175280 1048573986 /nfs/dbraw/zinc/57/39/86/1048573986.db2.gz USHGXMOTLKSHJR-WMRWHDLOSA-N 1 2 327.424 4.063 20 30 EIEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC000920387076 1048663644 /nfs/dbraw/zinc/66/36/44/1048663644.db2.gz KPRQUAPFLZWPAB-AQWHTGMYSA-N 1 2 339.435 4.378 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Br ZINC001144588903 1048739869 /nfs/dbraw/zinc/73/98/69/1048739869.db2.gz UURNRQNYIBUYBY-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Br ZINC001144588903 1048739882 /nfs/dbraw/zinc/73/98/82/1048739882.db2.gz UURNRQNYIBUYBY-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCc1ccc(C#N)cc1 ZINC000811645497 1049188403 /nfs/dbraw/zinc/18/84/03/1049188403.db2.gz OLJFWLUTSIMEAD-UHFFFAOYSA-N 1 2 347.249 4.055 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793202 1049591385 /nfs/dbraw/zinc/59/13/85/1049591385.db2.gz OMNVGBNSTCZZKG-QGZVFWFLSA-N 1 2 332.300 4.180 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(Br)ccc1OC)c1ccc(F)cc1 ZINC000812793204 1049592371 /nfs/dbraw/zinc/59/23/71/1049592371.db2.gz ONWJAPHISZPRAS-MRXNPFEDSA-N 1 2 348.215 4.061 20 30 EIEDLO Nc1c(Cl)cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1Cl ZINC000773161320 1049621094 /nfs/dbraw/zinc/62/10/94/1049621094.db2.gz PTLVIWQESPKZLH-PLNGDYQASA-N 1 2 332.190 4.119 20 30 EIEDLO N#Cc1ccc(OCCNc2cc[nH+]c(OCc3ccccc3)c2)cc1 ZINC001171485194 1049715716 /nfs/dbraw/zinc/71/57/16/1049715716.db2.gz GABIYLCLLPAYEI-UHFFFAOYSA-N 1 2 345.402 4.023 20 30 EIEDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000179924396 1049806201 /nfs/dbraw/zinc/80/62/01/1049806201.db2.gz MNNFUJJEVNRLFG-MRXNPFEDSA-N 1 2 336.439 4.147 20 30 EIEDLO C[C@H](CCCC#N)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172493692 1049922005 /nfs/dbraw/zinc/92/20/05/1049922005.db2.gz BZQYZRJYNJQDPS-SJORKVTESA-N 1 2 344.503 4.049 20 30 EIEDLO C[C@H](CCCC#N)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@@H]1C ZINC001172493692 1049922011 /nfs/dbraw/zinc/92/20/11/1049922011.db2.gz BZQYZRJYNJQDPS-SJORKVTESA-N 1 2 344.503 4.049 20 30 EIEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001172498902 1049923493 /nfs/dbraw/zinc/92/34/93/1049923493.db2.gz SQEUXYKKOODOJG-HNNXBMFYSA-N 1 2 340.446 4.322 20 30 EIEDLO C[C@@H](CCCC#N)[N@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001172498902 1049923496 /nfs/dbraw/zinc/92/34/96/1049923496.db2.gz SQEUXYKKOODOJG-HNNXBMFYSA-N 1 2 340.446 4.322 20 30 EIEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc(Br)c2[C@H]1C ZINC000901476799 1050083318 /nfs/dbraw/zinc/08/33/18/1050083318.db2.gz JEWMMPBQXRLBLM-JLATVTFTSA-N 1 2 331.213 4.049 20 30 EIEDLO Cc1ccc2c(c1)C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC2 ZINC001172826283 1050167091 /nfs/dbraw/zinc/16/70/91/1050167091.db2.gz TZOGBUNNLPMXBQ-LBPRGKRZSA-N 1 2 343.286 4.275 20 30 EIEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000619511421 1050799785 /nfs/dbraw/zinc/79/97/85/1050799785.db2.gz VDAPEKPASDQXDN-HNNXBMFYSA-N 1 2 348.475 4.051 20 30 EIEDLO CC(C)[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC001180489322 1051006306 /nfs/dbraw/zinc/00/63/06/1051006306.db2.gz YBDIGKCMGBLUCT-DHIUTWEWSA-N 1 2 347.506 4.136 20 30 EIEDLO CC(C)[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC001180489322 1051006324 /nfs/dbraw/zinc/00/63/24/1051006324.db2.gz YBDIGKCMGBLUCT-DHIUTWEWSA-N 1 2 347.506 4.136 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@H+](CCOC)Cc1cccs1 ZINC001180505097 1051024044 /nfs/dbraw/zinc/02/40/44/1051024044.db2.gz FZXJNMDIWNJTDR-UHFFFAOYSA-N 1 2 349.883 4.062 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[N@@H+](CCOC)Cc1cccs1 ZINC001180505097 1051024055 /nfs/dbraw/zinc/02/40/55/1051024055.db2.gz FZXJNMDIWNJTDR-UHFFFAOYSA-N 1 2 349.883 4.062 20 30 EIEDLO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)o2)c1 ZINC000775338787 1051094657 /nfs/dbraw/zinc/09/46/57/1051094657.db2.gz SDAHHIUEWHMZOX-GJZGRUSLSA-N 1 2 332.407 4.329 20 30 EIEDLO COc1ccccc1Cc1cn(Cc2ccc(Cl)cc2C#N)c[nH+]1 ZINC001190283724 1051148918 /nfs/dbraw/zinc/14/89/18/1051148918.db2.gz PZKKOAJCHRGTDH-UHFFFAOYSA-N 1 2 337.810 4.056 20 30 EIEDLO CCc1cccc2cc(C[NH+]3CC(Oc4ccc(C#N)cc4)C3)oc21 ZINC001182215024 1051435209 /nfs/dbraw/zinc/43/52/09/1051435209.db2.gz COPMIYYQMDBUOO-UHFFFAOYSA-N 1 2 332.403 4.130 20 30 EIEDLO CCCCCCCCCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001191856039 1051558291 /nfs/dbraw/zinc/55/82/91/1051558291.db2.gz MMZIRWOMHHGHAP-UHFFFAOYSA-N 1 2 334.508 4.329 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001192939267 1051841832 /nfs/dbraw/zinc/84/18/32/1051841832.db2.gz ZBCHSZUDFJSWOF-PKOBYXMFSA-N 1 2 347.503 4.383 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1cncc2ccccc21)C(=O)OCC ZINC001183549272 1051862351 /nfs/dbraw/zinc/86/23/51/1051862351.db2.gz AGKAFVRHEDIWHT-UZLBHIALSA-N 1 2 340.467 4.043 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000775564516 1051869590 /nfs/dbraw/zinc/86/95/90/1051869590.db2.gz XXZAETQHVYVBEG-FQEVSTJZSA-N 1 2 340.854 4.157 20 30 EIEDLO Cc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1C#N ZINC000774820815 1052170638 /nfs/dbraw/zinc/17/06/38/1052170638.db2.gz GZAJYSZWJCXBCZ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO Cc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1C#N ZINC000774820815 1052170640 /nfs/dbraw/zinc/17/06/40/1052170640.db2.gz GZAJYSZWJCXBCZ-UHFFFAOYSA-N 1 2 329.787 4.060 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001194632643 1052182341 /nfs/dbraw/zinc/18/23/41/1052182341.db2.gz BQNMLCGSKYKJMG-SFHVURJKSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001194632643 1052182342 /nfs/dbraw/zinc/18/23/42/1052182342.db2.gz BQNMLCGSKYKJMG-SFHVURJKSA-N 1 2 330.790 4.004 20 30 EIEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cscn2)cc1OC ZINC000623563629 1052681043 /nfs/dbraw/zinc/68/10/43/1052681043.db2.gz FEICHCJYGACYJS-LLVKDONJSA-N 1 2 338.860 4.221 20 30 EIEDLO CN(C)c1cc(F)ccc1C(=O)/C=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000764441266 1053104923 /nfs/dbraw/zinc/10/49/23/1053104923.db2.gz FMMCUZVVVHQQCV-ALCCZGGFSA-N 1 2 343.789 4.089 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000794690045 1053313836 /nfs/dbraw/zinc/31/38/36/1053313836.db2.gz GXWJKBPPEOLQAN-AATRIKPKSA-N 1 2 341.263 4.408 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000794692018 1053315465 /nfs/dbraw/zinc/31/54/65/1053315465.db2.gz STQWDPSFVAHVIY-KHPPLWFESA-N 1 2 328.481 4.398 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)s1 ZINC000794704202 1053324228 /nfs/dbraw/zinc/32/42/28/1053324228.db2.gz ZHPWIMJYMDPFEV-BQYQJAHWSA-N 1 2 349.459 4.163 20 30 EIEDLO COc1c(C)cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1Cl ZINC000794724265 1053337406 /nfs/dbraw/zinc/33/74/06/1053337406.db2.gz OYLRZZZQRURGAM-VOTSOKGWSA-N 1 2 326.783 4.201 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000764866728 1053347020 /nfs/dbraw/zinc/34/70/20/1053347020.db2.gz VGKAJIZLDLLNBP-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000764866728 1053347037 /nfs/dbraw/zinc/34/70/37/1053347037.db2.gz VGKAJIZLDLLNBP-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765025965 1053418987 /nfs/dbraw/zinc/41/89/87/1053418987.db2.gz AZUSMNQSIGVRII-ZBFHGGJFSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765025965 1053418991 /nfs/dbraw/zinc/41/89/91/1053418991.db2.gz AZUSMNQSIGVRII-ZBFHGGJFSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765060605 1053432668 /nfs/dbraw/zinc/43/26/68/1053432668.db2.gz JLVRELSHAOZOEG-GOEBONIOSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000765060605 1053432671 /nfs/dbraw/zinc/43/26/71/1053432671.db2.gz JLVRELSHAOZOEG-GOEBONIOSA-N 1 2 342.512 4.263 20 30 EIEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852099615 1053549486 /nfs/dbraw/zinc/54/94/86/1053549486.db2.gz NPXVMEOGOCBDKY-BDJLRTHQSA-N 1 2 337.345 4.208 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000852330163 1053570188 /nfs/dbraw/zinc/57/01/88/1053570188.db2.gz AXQFGYKYRBJAJL-UYAOXDASSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000852330163 1053570197 /nfs/dbraw/zinc/57/01/97/1053570197.db2.gz AXQFGYKYRBJAJL-UYAOXDASSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000852330161 1053571462 /nfs/dbraw/zinc/57/14/62/1053571462.db2.gz AXQFGYKYRBJAJL-ICSRJNTNSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000852330161 1053571469 /nfs/dbraw/zinc/57/14/69/1053571469.db2.gz AXQFGYKYRBJAJL-ICSRJNTNSA-N 1 2 337.854 4.280 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000853481603 1053680720 /nfs/dbraw/zinc/68/07/20/1053680720.db2.gz XCDXFXTYLAIGER-ICSRJNTNSA-N 1 2 336.435 4.206 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000853598183 1053688169 /nfs/dbraw/zinc/68/81/69/1053688169.db2.gz NLYAYLKABVLTRE-RYQLBKOJSA-N 1 2 340.496 4.164 20 30 EIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000853598183 1053688172 /nfs/dbraw/zinc/68/81/72/1053688172.db2.gz NLYAYLKABVLTRE-RYQLBKOJSA-N 1 2 340.496 4.164 20 30 EIEDLO COCCCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866352399 1053700278 /nfs/dbraw/zinc/70/02/78/1053700278.db2.gz QBPRICSGHXQZOV-OXJNMPFZSA-N 1 2 338.451 4.472 20 30 EIEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(OC)c1OC ZINC000866509068 1053757506 /nfs/dbraw/zinc/75/75/06/1053757506.db2.gz TVNUWGBYDIVGKJ-SUMWQHHRSA-N 1 2 340.423 4.083 20 30 EIEDLO CCSCc1cc[nH+]c(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000123302426 1054130705 /nfs/dbraw/zinc/13/07/05/1054130705.db2.gz FHVATZXJOXVDBQ-AWEZNQCLSA-N 1 2 327.453 4.238 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C/C=C/C)C2)c1=S ZINC000863341163 1055186756 /nfs/dbraw/zinc/18/67/56/1055186756.db2.gz VRFOYBLVGJVUMP-SJDLMVEWSA-N 1 2 332.517 4.113 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C/C=C/C)C2)c1=S ZINC000863341163 1055186759 /nfs/dbraw/zinc/18/67/59/1055186759.db2.gz VRFOYBLVGJVUMP-SJDLMVEWSA-N 1 2 332.517 4.113 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccccc1 ZINC000878362692 1055266755 /nfs/dbraw/zinc/26/67/55/1055266755.db2.gz DWKCDCQGEOYNGZ-ZDUSSCGKSA-N 1 2 335.270 4.068 20 30 EIEDLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(C#N)c1 ZINC000130876019 1055799954 /nfs/dbraw/zinc/79/99/54/1055799954.db2.gz BJXZJDHUFDYTGD-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(C#N)c1 ZINC000130876019 1055799967 /nfs/dbraw/zinc/79/99/67/1055799967.db2.gz BJXZJDHUFDYTGD-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1ccc(C#N)cc1 ZINC000130878514 1055800969 /nfs/dbraw/zinc/80/09/69/1055800969.db2.gz YYNJNEWPUSTZPR-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1ccc(C#N)cc1 ZINC000130878514 1055800972 /nfs/dbraw/zinc/80/09/72/1055800972.db2.gz YYNJNEWPUSTZPR-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO N#Cc1cnc2ccccc2c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301373493 1055928187 /nfs/dbraw/zinc/92/81/87/1055928187.db2.gz QJOSDTVDUKLLQV-UHFFFAOYSA-N 1 2 343.365 4.043 20 30 EIEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000301630085 1055961187 /nfs/dbraw/zinc/96/11/87/1055961187.db2.gz ILPCHMVGJYZXJP-DNVCBOLYSA-N 1 2 345.450 4.007 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110302479 1056603813 /nfs/dbraw/zinc/60/38/13/1056603813.db2.gz QEGBWPYJCITKGO-CQSZACIVSA-N 1 2 343.833 4.234 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(OC(F)F)cc1 ZINC000737444941 1058352024 /nfs/dbraw/zinc/35/20/24/1058352024.db2.gz VVKWCKFVMHOBEK-QPJJXVBHSA-N 1 2 348.736 4.485 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743348170 1058957974 /nfs/dbraw/zinc/95/79/74/1058957974.db2.gz KVCOKUWPRYCLAV-LJQANCHMSA-N 1 2 340.854 4.259 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743348170 1058957999 /nfs/dbraw/zinc/95/79/99/1058957999.db2.gz KVCOKUWPRYCLAV-LJQANCHMSA-N 1 2 340.854 4.259 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccccc2OCC#N)cc[nH+]1 ZINC001212594959 1060980143 /nfs/dbraw/zinc/98/01/43/1060980143.db2.gz FIYNZFNUCNECSQ-UHFFFAOYSA-N 1 2 340.383 4.075 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000459374865 1032099365 /nfs/dbraw/zinc/09/93/65/1032099365.db2.gz UAGRRSFYFXGRDB-UHFFFAOYSA-N 1 2 341.798 4.289 20 30 EIEDLO CCC(C#N)(CC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000529178751 1032198694 /nfs/dbraw/zinc/19/86/94/1032198694.db2.gz IDTFHGAYJOOSRW-UHFFFAOYSA-N 1 2 336.439 4.155 20 30 EIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@H](C#N)C2CCCCC2)c(C)c1 ZINC000532736750 1032288143 /nfs/dbraw/zinc/28/81/43/1032288143.db2.gz DQWPOJYLRSWOIG-RTWAWAEBSA-N 1 2 336.483 4.303 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000532927486 1032393161 /nfs/dbraw/zinc/39/31/61/1032393161.db2.gz WCZVAULUHNNBRE-UHFFFAOYSA-N 1 2 344.480 4.407 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000532927486 1032393165 /nfs/dbraw/zinc/39/31/65/1032393165.db2.gz WCZVAULUHNNBRE-UHFFFAOYSA-N 1 2 344.480 4.407 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000533029601 1032456862 /nfs/dbraw/zinc/45/68/62/1032456862.db2.gz IXHLXVOFUNSEHT-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000533029601 1032456871 /nfs/dbraw/zinc/45/68/71/1032456871.db2.gz IXHLXVOFUNSEHT-UHFFFAOYSA-N 1 2 332.806 4.106 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000254986969 1019705200 /nfs/dbraw/zinc/70/52/00/1019705200.db2.gz RZXLOTWDNXODSQ-HJWRWDBZSA-N 1 2 325.437 4.293 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000274911853 1019852528 /nfs/dbraw/zinc/85/25/28/1019852528.db2.gz WNKPRJVBWANQHC-DIFFPNOSSA-N 1 2 335.350 4.312 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)o1 ZINC000549426325 1022782004 /nfs/dbraw/zinc/78/20/04/1022782004.db2.gz ZZOGBWPMDVAVHD-INIZCTEOSA-N 1 2 338.304 4.241 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)o1 ZINC000549426325 1022782025 /nfs/dbraw/zinc/78/20/25/1022782025.db2.gz ZZOGBWPMDVAVHD-INIZCTEOSA-N 1 2 338.304 4.241 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001167705413 1022846992 /nfs/dbraw/zinc/84/69/92/1022846992.db2.gz JKPJMODPFAFCOR-WIYYLYMNSA-N 1 2 347.418 4.368 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001167705413 1022846993 /nfs/dbraw/zinc/84/69/93/1022846993.db2.gz JKPJMODPFAFCOR-WIYYLYMNSA-N 1 2 347.418 4.368 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1Cl ZINC001137565374 1023086065 /nfs/dbraw/zinc/08/60/65/1023086065.db2.gz IBWYYWZKTCWXOI-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1Cl ZINC001137565374 1023086074 /nfs/dbraw/zinc/08/60/74/1023086074.db2.gz IBWYYWZKTCWXOI-OJNYZHBWSA-N 1 2 339.664 4.369 20 30 EIEDLO Cc1cn2cc(NC(=O)[C@@H](C)NC(=O)C3CCCCC3)ccc2[nH+]1 ZINC000328776115 1023178547 /nfs/dbraw/zinc/17/85/47/1023178547.db2.gz KURONQFBMFHTPP-CYBMUJFWSA-N 1 2 328.416 4.156 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000157346025 1023482064 /nfs/dbraw/zinc/48/20/64/1023482064.db2.gz ORSOHROVQZIJBD-CYBMUJFWSA-N 1 2 337.448 4.370 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000157346025 1023482078 /nfs/dbraw/zinc/48/20/78/1023482078.db2.gz ORSOHROVQZIJBD-CYBMUJFWSA-N 1 2 337.448 4.370 20 30 EIEDLO N#CC1(C[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)CC1 ZINC000500127751 1023523662 /nfs/dbraw/zinc/52/36/62/1023523662.db2.gz XESNPMDACJXIFE-UHFFFAOYSA-N 1 2 342.336 4.150 20 30 EIEDLO Oc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000891769994 1023964302 /nfs/dbraw/zinc/96/43/02/1023964302.db2.gz DYIKELZHKIKXSU-AOOOYVTPSA-N 1 2 345.258 4.094 20 30 EIEDLO Oc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000891769994 1023964315 /nfs/dbraw/zinc/96/43/15/1023964315.db2.gz DYIKELZHKIKXSU-AOOOYVTPSA-N 1 2 345.258 4.094 20 30 EIEDLO Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnc1F ZINC000891770714 1023967561 /nfs/dbraw/zinc/96/75/61/1023967561.db2.gz MQIWMNNDTGHQHJ-QWRGUYRKSA-N 1 2 344.274 4.092 20 30 EIEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2noc(C)n2)c2ccc(Cl)cc2)C1 ZINC000651748278 1023973318 /nfs/dbraw/zinc/97/33/18/1023973318.db2.gz GKDZJBIXFLQWDK-XYPHTWIQSA-N 1 2 331.847 4.455 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1-c1ccccc1OC ZINC000430736529 1023990690 /nfs/dbraw/zinc/99/06/90/1023990690.db2.gz UNEHKXFBYOEOOI-UHFFFAOYSA-N 1 2 339.464 4.131 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1-c1ccccc1OC ZINC000430736529 1023990714 /nfs/dbraw/zinc/99/07/14/1023990714.db2.gz UNEHKXFBYOEOOI-UHFFFAOYSA-N 1 2 339.464 4.131 20 30 EIEDLO N#Cc1cc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)ccc1F ZINC000473151108 1024563097 /nfs/dbraw/zinc/56/30/97/1024563097.db2.gz JPLWQVRQAPMKDL-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)ccc1F ZINC000473151108 1024563132 /nfs/dbraw/zinc/56/31/32/1024563132.db2.gz JPLWQVRQAPMKDL-UHFFFAOYSA-N 1 2 328.337 4.265 20 30 EIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000548488473 1024846347 /nfs/dbraw/zinc/84/63/47/1024846347.db2.gz JIVMDDMKBCICOQ-UHFFFAOYSA-N 1 2 335.860 4.055 20 30 EIEDLO N#Cc1ccc2ncc(C[NH+]3CCC(=Cc4ccccc4F)CC3)n2c1 ZINC000535819709 1024992652 /nfs/dbraw/zinc/99/26/52/1024992652.db2.gz DETOHRWZLHPPTG-UHFFFAOYSA-N 1 2 346.409 4.024 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)ccn1 ZINC000610995342 1025244845 /nfs/dbraw/zinc/24/48/45/1025244845.db2.gz VIGUTSPAPSYIOA-SFHVURJKSA-N 1 2 337.473 4.224 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)ccn1 ZINC000610995342 1025244864 /nfs/dbraw/zinc/24/48/64/1025244864.db2.gz VIGUTSPAPSYIOA-SFHVURJKSA-N 1 2 337.473 4.224 20 30 EIEDLO N#C[C@H]1CC[C@H](Nc2[nH+]cccc2OCc2ccccc2F)CC1 ZINC001167842492 1025910018 /nfs/dbraw/zinc/91/00/18/1025910018.db2.gz LAHVHZMXVHPQAJ-KOMQPUFPSA-N 1 2 325.387 4.294 20 30 EIEDLO N#Cc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000277468484 1026119901 /nfs/dbraw/zinc/11/99/01/1026119901.db2.gz BZCYZCFGMDEZAW-UHFFFAOYSA-N 1 2 334.448 4.432 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccn1 ZINC000182086696 1026212744 /nfs/dbraw/zinc/21/27/44/1026212744.db2.gz IKJZCBUPURHURL-AOMKIAJQSA-N 1 2 343.430 4.402 20 30 EIEDLO Cc1cc(CO[C@H](C)C(F)(F)C(F)(F)C(F)(F)F)cc(C)[nH+]1 ZINC001223422540 1026279620 /nfs/dbraw/zinc/27/96/20/1026279620.db2.gz XITYLDRKIRHQDM-SECBINFHSA-N 1 2 333.247 4.436 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550239644 1026395071 /nfs/dbraw/zinc/39/50/71/1026395071.db2.gz YXGKOQRTBMWBQF-BLLLJJGKSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550239644 1026395083 /nfs/dbraw/zinc/39/50/83/1026395083.db2.gz YXGKOQRTBMWBQF-BLLLJJGKSA-N 1 2 326.362 4.051 20 30 EIEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000277583735 1026584968 /nfs/dbraw/zinc/58/49/68/1026584968.db2.gz CNLQEDVUHMREEO-GOSISDBHSA-N 1 2 338.455 4.198 20 30 EIEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000277583735 1026584970 /nfs/dbraw/zinc/58/49/70/1026584970.db2.gz CNLQEDVUHMREEO-GOSISDBHSA-N 1 2 338.455 4.198 20 30 EIEDLO CC[N@H+](Cc1csc(-c2ncccn2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345205632 1026806337 /nfs/dbraw/zinc/80/63/37/1026806337.db2.gz DRRUNTJWJAVXLK-AWEZNQCLSA-N 1 2 349.463 4.055 20 30 EIEDLO CC[N@@H+](Cc1csc(-c2ncccn2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345205632 1026806342 /nfs/dbraw/zinc/80/63/42/1026806342.db2.gz DRRUNTJWJAVXLK-AWEZNQCLSA-N 1 2 349.463 4.055 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000440903439 1027109136 /nfs/dbraw/zinc/10/91/36/1027109136.db2.gz SNTAMVDHJWRDAO-MRXNPFEDSA-N 1 2 326.440 4.292 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000440903439 1027109144 /nfs/dbraw/zinc/10/91/44/1027109144.db2.gz SNTAMVDHJWRDAO-MRXNPFEDSA-N 1 2 326.440 4.292 20 30 EIEDLO COCC1(C#N)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000342835493 1027217684 /nfs/dbraw/zinc/21/76/84/1027217684.db2.gz GWDWBEGHIXALDB-UHFFFAOYSA-N 1 2 346.780 4.111 20 30 EIEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCCO1 ZINC000329433826 1027780272 /nfs/dbraw/zinc/78/02/72/1027780272.db2.gz IIMSYTQTFLLJPQ-KRWDZBQOSA-N 1 2 325.412 4.044 20 30 EIEDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000329913090 1028151587 /nfs/dbraw/zinc/15/15/87/1028151587.db2.gz XCSVZQNZTMCXHM-NVXWUHKLSA-N 1 2 332.492 4.108 20 30 EIEDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000329913090 1028151602 /nfs/dbraw/zinc/15/16/02/1028151602.db2.gz XCSVZQNZTMCXHM-NVXWUHKLSA-N 1 2 332.492 4.108 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCO1 ZINC000330334997 1028539458 /nfs/dbraw/zinc/53/94/58/1028539458.db2.gz RCEZOYVEYCSROD-NRUGXNMXSA-N 1 2 345.487 4.203 20 30 EIEDLO Cc1cccc(CCCNc2ccc(Br)cc2C#N)[nH+]1 ZINC000343228873 1028731883 /nfs/dbraw/zinc/73/18/83/1028731883.db2.gz ZHPMYWAIPNLBLU-UHFFFAOYSA-N 1 2 330.229 4.069 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(Br)c1 ZINC000346968921 1028834135 /nfs/dbraw/zinc/83/41/35/1028834135.db2.gz FSBPMDPKAIDIGH-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(Br)c1 ZINC000346968921 1028834140 /nfs/dbraw/zinc/83/41/40/1028834140.db2.gz FSBPMDPKAIDIGH-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO CCn1c2ccccc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000158905515 1029624685 /nfs/dbraw/zinc/62/46/85/1029624685.db2.gz AAFXETZJGGIBBZ-UHFFFAOYSA-N 1 2 334.423 4.351 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)cc1OC ZINC000428461118 1029658733 /nfs/dbraw/zinc/65/87/33/1029658733.db2.gz HYFGLDRTUPMVSM-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)cc1OC ZINC000428461118 1029658737 /nfs/dbraw/zinc/65/87/37/1029658737.db2.gz HYFGLDRTUPMVSM-SFHVURJKSA-N 1 2 340.398 4.052 20 30 EIEDLO N#CCC[N@@H+](CCCc1c(F)cccc1Cl)Cc1cccnc1 ZINC000447793429 1030337802 /nfs/dbraw/zinc/33/78/02/1030337802.db2.gz CDNMLUAITKCAAT-UHFFFAOYSA-N 1 2 331.822 4.223 20 30 EIEDLO N#CCC[N@H+](CCCc1c(F)cccc1Cl)Cc1cccnc1 ZINC000447793429 1030337819 /nfs/dbraw/zinc/33/78/19/1030337819.db2.gz CDNMLUAITKCAAT-UHFFFAOYSA-N 1 2 331.822 4.223 20 30 EIEDLO CCC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1Br ZINC000508645340 1030471771 /nfs/dbraw/zinc/47/17/71/1030471771.db2.gz MFLJZGVDMMUNEK-UHFFFAOYSA-N 1 2 333.229 4.326 20 30 EIEDLO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1Br ZINC000508645340 1030471787 /nfs/dbraw/zinc/47/17/87/1030471787.db2.gz MFLJZGVDMMUNEK-UHFFFAOYSA-N 1 2 333.229 4.326 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cc1OC ZINC000103225558 1030863469 /nfs/dbraw/zinc/86/34/69/1030863469.db2.gz YXJMPYUOVSDIOV-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cc1OC ZINC000103225558 1030863477 /nfs/dbraw/zinc/86/34/77/1030863477.db2.gz YXJMPYUOVSDIOV-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000103468805 1030891017 /nfs/dbraw/zinc/89/10/17/1030891017.db2.gz ONFQYZMUQAOXPG-CYBMUJFWSA-N 1 2 327.359 4.189 20 30 EIEDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000103468805 1030891021 /nfs/dbraw/zinc/89/10/21/1030891021.db2.gz ONFQYZMUQAOXPG-CYBMUJFWSA-N 1 2 327.359 4.189 20 30 EIEDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000103468804 1030892015 /nfs/dbraw/zinc/89/20/15/1030892015.db2.gz ONFQYZMUQAOXPG-ZDUSSCGKSA-N 1 2 327.359 4.189 20 30 EIEDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000103468804 1030892018 /nfs/dbraw/zinc/89/20/18/1030892018.db2.gz ONFQYZMUQAOXPG-ZDUSSCGKSA-N 1 2 327.359 4.189 20 30 EIEDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000612120621 1030941496 /nfs/dbraw/zinc/94/14/96/1030941496.db2.gz BGVHBFDXRAETKE-AWEZNQCLSA-N 1 2 348.475 4.490 20 30 EIEDLO Cc1cc([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2cccnc2)ccc1F ZINC000612409595 1031495673 /nfs/dbraw/zinc/49/56/73/1031495673.db2.gz GOVAYJFXRAWGMB-NRFANRHFSA-N 1 2 349.384 4.419 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000120491717 1033844346 /nfs/dbraw/zinc/84/43/46/1033844346.db2.gz OKETWAXQXHIKSS-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000120491717 1033844349 /nfs/dbraw/zinc/84/43/49/1033844349.db2.gz OKETWAXQXHIKSS-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000614397429 1034538154 /nfs/dbraw/zinc/53/81/54/1034538154.db2.gz UDLSZRJJWFWHRL-LJQANCHMSA-N 1 2 326.827 4.094 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000614397429 1034538175 /nfs/dbraw/zinc/53/81/75/1034538175.db2.gz UDLSZRJJWFWHRL-LJQANCHMSA-N 1 2 326.827 4.094 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000595623355 1035736449 /nfs/dbraw/zinc/73/64/49/1035736449.db2.gz NUGFJCLFFJPYGI-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000595623355 1035736471 /nfs/dbraw/zinc/73/64/71/1035736471.db2.gz NUGFJCLFFJPYGI-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610937 1035751189 /nfs/dbraw/zinc/75/11/89/1035751189.db2.gz DGCROTSAAMXGGO-QGZVFWFLSA-N 1 2 341.499 4.498 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610937 1035751217 /nfs/dbraw/zinc/75/12/17/1035751217.db2.gz DGCROTSAAMXGGO-QGZVFWFLSA-N 1 2 341.499 4.498 20 30 EIEDLO COc1ccc2[nH]cc(C(=O)/C=C/c3c[nH+]c4ccc(C)cn34)c2c1 ZINC000151427596 1035773418 /nfs/dbraw/zinc/77/34/18/1035773418.db2.gz NSXPYFLEQSVROV-QPJJXVBHSA-N 1 2 331.375 4.029 20 30 EIEDLO COc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)c2ccc(C)cc2)cc1 ZINC000571128282 1035959327 /nfs/dbraw/zinc/95/93/27/1035959327.db2.gz RCNCNUJPTLDVSO-HXUWFJFHSA-N 1 2 349.459 4.211 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000602446389 1036451905 /nfs/dbraw/zinc/45/19/05/1036451905.db2.gz AWWMWFAITUBUQY-GFCCVEGCSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000602446389 1036451919 /nfs/dbraw/zinc/45/19/19/1036451919.db2.gz AWWMWFAITUBUQY-GFCCVEGCSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458519 1036456011 /nfs/dbraw/zinc/45/60/11/1036456011.db2.gz NCEVEZWOWCWODC-LRDDRELGSA-N 1 2 327.255 4.307 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458519 1036456015 /nfs/dbraw/zinc/45/60/15/1036456015.db2.gz NCEVEZWOWCWODC-LRDDRELGSA-N 1 2 327.255 4.307 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)c(F)c1 ZINC000590067207 1036972537 /nfs/dbraw/zinc/97/25/37/1036972537.db2.gz CLKONLYJYKVSPJ-UHFFFAOYSA-N 1 2 339.395 4.126 20 30 EIEDLO COc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000669709209 1037178413 /nfs/dbraw/zinc/17/84/13/1037178413.db2.gz RKVMTXQOHYRZKO-AOOOYVTPSA-N 1 2 345.258 4.007 20 30 EIEDLO COc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F ZINC000669709209 1037178422 /nfs/dbraw/zinc/17/84/22/1037178422.db2.gz RKVMTXQOHYRZKO-AOOOYVTPSA-N 1 2 345.258 4.007 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000246461054 1037184229 /nfs/dbraw/zinc/18/42/29/1037184229.db2.gz WLFUJFVERQUSMC-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000246461054 1037184247 /nfs/dbraw/zinc/18/42/47/1037184247.db2.gz WLFUJFVERQUSMC-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000604492207 1037402664 /nfs/dbraw/zinc/40/26/64/1037402664.db2.gz DYBLGTNZDKODSP-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO Cc1ccccc1-c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000604492207 1037402673 /nfs/dbraw/zinc/40/26/73/1037402673.db2.gz DYBLGTNZDKODSP-UHFFFAOYSA-N 1 2 344.418 4.081 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(C(=O)OC)oc1C ZINC000604512906 1037420659 /nfs/dbraw/zinc/42/06/59/1037420659.db2.gz QPAJUWQIQVJUBY-UHFFFAOYSA-N 1 2 339.844 4.278 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C(=O)OC)oc1C ZINC000604512906 1037420711 /nfs/dbraw/zinc/42/07/11/1037420711.db2.gz QPAJUWQIQVJUBY-UHFFFAOYSA-N 1 2 339.844 4.278 20 30 EIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000488242236 1037447818 /nfs/dbraw/zinc/44/78/18/1037447818.db2.gz OQZMEWDSWZPPPA-KRWDZBQOSA-N 1 2 333.435 4.288 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)cc1 ZINC000488280214 1037473028 /nfs/dbraw/zinc/47/30/28/1037473028.db2.gz QONKUUPJSGOBPC-HNNXBMFYSA-N 1 2 346.434 4.330 20 30 EIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000591662373 1037531693 /nfs/dbraw/zinc/53/16/93/1037531693.db2.gz QXLJGEYYNXOPEU-CYBMUJFWSA-N 1 2 325.362 4.282 20 30 EIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000591662373 1037531700 /nfs/dbraw/zinc/53/17/00/1037531700.db2.gz QXLJGEYYNXOPEU-CYBMUJFWSA-N 1 2 325.362 4.282 20 30 EIEDLO C=CCC[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000489018511 1037838483 /nfs/dbraw/zinc/83/84/83/1037838483.db2.gz UTXVNEDXKFRGCU-OAQYLSRUSA-N 1 2 345.446 4.239 20 30 EIEDLO C=CCCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000606754258 1038239881 /nfs/dbraw/zinc/23/98/81/1038239881.db2.gz COKDQMBMMHFREU-MRXNPFEDSA-N 1 2 342.512 4.482 20 30 EIEDLO CC(C)([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc(C#N)c1 ZINC000594969370 1038484957 /nfs/dbraw/zinc/48/49/57/1038484957.db2.gz QAGFIWSTOZSNQH-UHFFFAOYSA-N 1 2 325.359 4.058 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076451 1039124432 /nfs/dbraw/zinc/12/44/32/1039124432.db2.gz OGWRDBIEYUESMB-RBBKRZOGSA-N 1 2 342.446 4.348 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076451 1039124458 /nfs/dbraw/zinc/12/44/58/1039124458.db2.gz OGWRDBIEYUESMB-RBBKRZOGSA-N 1 2 342.446 4.348 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000537632889 1039308498 /nfs/dbraw/zinc/30/84/98/1039308498.db2.gz XQPWRPYCYBKODP-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO COc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1OC(F)F ZINC000093101181 1039628752 /nfs/dbraw/zinc/62/87/52/1039628752.db2.gz JHXULJLGIDTDRD-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1OC(F)F ZINC000093101181 1039628759 /nfs/dbraw/zinc/62/87/59/1039628759.db2.gz JHXULJLGIDTDRD-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000093101183 1039633064 /nfs/dbraw/zinc/63/30/64/1039633064.db2.gz KVVGASUMNLBROE-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000093101183 1039633080 /nfs/dbraw/zinc/63/30/80/1039633080.db2.gz KVVGASUMNLBROE-UHFFFAOYSA-N 1 2 337.467 4.422 20 30 EIEDLO C=C(C)CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000505466964 1039805878 /nfs/dbraw/zinc/80/58/78/1039805878.db2.gz KFAPSLXIFCLUDW-CYBMUJFWSA-N 1 2 334.464 4.087 20 30 EIEDLO C=C(C)CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000505466965 1039806277 /nfs/dbraw/zinc/80/62/77/1039806277.db2.gz KFAPSLXIFCLUDW-ZDUSSCGKSA-N 1 2 334.464 4.087 20 30 EIEDLO CC(C)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000434988955 1039985792 /nfs/dbraw/zinc/98/57/92/1039985792.db2.gz YHZWVVLCYQSQMC-UHFFFAOYSA-N 1 2 341.386 4.361 20 30 EIEDLO CC(C)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000434988955 1039985810 /nfs/dbraw/zinc/98/58/10/1039985810.db2.gz YHZWVVLCYQSQMC-UHFFFAOYSA-N 1 2 341.386 4.361 20 30 EIEDLO N#Cc1c(C(F)F)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000514873222 1040314744 /nfs/dbraw/zinc/31/47/44/1040314744.db2.gz NZVHESMPCQBNOZ-UHFFFAOYSA-N 1 2 344.409 4.389 20 30 EIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(Cc4ccccc4)n3)CC2)c1 ZINC000551712550 1040528830 /nfs/dbraw/zinc/52/88/30/1040528830.db2.gz HWRZEGVIXFXOBK-UHFFFAOYSA-N 1 2 345.471 4.384 20 30 EIEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(O[C@H](C)CC(C)C)c1 ZINC000515479638 1040797170 /nfs/dbraw/zinc/79/71/70/1040797170.db2.gz YYJHUAVVQKNBPB-OAHLLOKOSA-N 1 2 343.496 4.426 20 30 EIEDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000505777272 1040987166 /nfs/dbraw/zinc/98/71/66/1040987166.db2.gz OAHHOFGYPHBYIE-UHFFFAOYSA-N 1 2 336.435 4.000 20 30 EIEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000505777272 1040987191 /nfs/dbraw/zinc/98/71/91/1040987191.db2.gz OAHHOFGYPHBYIE-UHFFFAOYSA-N 1 2 336.435 4.000 20 30 EIEDLO C[NH+](C)[C@@H](CNc1c(Cl)cccc1C#N)c1c(F)cccc1F ZINC000462833647 1041015722 /nfs/dbraw/zinc/01/57/22/1041015722.db2.gz MSXCLUVRBYYIAP-HNNXBMFYSA-N 1 2 335.785 4.205 20 30 EIEDLO Cc1cccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425531373 1041172319 /nfs/dbraw/zinc/17/23/19/1041172319.db2.gz HHDMILSCFCBVCP-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425531373 1041172338 /nfs/dbraw/zinc/17/23/38/1041172338.db2.gz HHDMILSCFCBVCP-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO C=C1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000538282444 1041240904 /nfs/dbraw/zinc/24/09/04/1041240904.db2.gz GDQGDVVOEXRPQH-UHFFFAOYSA-N 1 2 332.188 4.203 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000480551178 1041381299 /nfs/dbraw/zinc/38/12/99/1041381299.db2.gz IHXCAPOYFSVWAV-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000491702399 1042489580 /nfs/dbraw/zinc/48/95/80/1042489580.db2.gz WAUITSZZSHVRKM-HOTGVXAUSA-N 1 2 332.856 4.112 20 30 EIEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000426379538 1042616175 /nfs/dbraw/zinc/61/61/75/1042616175.db2.gz UNTMBOWCLHBQAM-UHFFFAOYSA-N 1 2 348.324 4.097 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000426379538 1042616186 /nfs/dbraw/zinc/61/61/86/1042616186.db2.gz UNTMBOWCLHBQAM-UHFFFAOYSA-N 1 2 348.324 4.097 20 30 EIEDLO CC(C)COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439437895 1042624138 /nfs/dbraw/zinc/62/41/38/1042624138.db2.gz KYDBKNNEIMFBRK-KRWDZBQOSA-N 1 2 332.831 4.308 20 30 EIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443598 1042628784 /nfs/dbraw/zinc/62/87/84/1042628784.db2.gz WHNWNRRCNJGZNI-NPMABZOXSA-N 1 2 346.883 4.142 20 30 EIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443598 1042628786 /nfs/dbraw/zinc/62/87/86/1042628786.db2.gz WHNWNRRCNJGZNI-NPMABZOXSA-N 1 2 346.883 4.142 20 30 EIEDLO C=CCCC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456685 1042638691 /nfs/dbraw/zinc/63/86/91/1042638691.db2.gz ZEOFWZZTPLNLRB-SWLSCSKDSA-N 1 2 338.377 4.247 20 30 EIEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1Br ZINC000492415582 1042639826 /nfs/dbraw/zinc/63/98/26/1042639826.db2.gz GQAYLNXDWLXNJM-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1Br ZINC000492415582 1042639835 /nfs/dbraw/zinc/63/98/35/1042639835.db2.gz GQAYLNXDWLXNJM-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441497731 1042854072 /nfs/dbraw/zinc/85/40/72/1042854072.db2.gz IPOUNRNQLIPAMH-FQEVSTJZSA-N 1 2 337.467 4.126 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727822922 1043317980 /nfs/dbraw/zinc/31/79/80/1043317980.db2.gz FKQGVZGFSAWPPE-AWEZNQCLSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727822922 1043317989 /nfs/dbraw/zinc/31/79/89/1043317989.db2.gz FKQGVZGFSAWPPE-AWEZNQCLSA-N 1 2 346.475 4.238 20 30 EIEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699658 1043355619 /nfs/dbraw/zinc/35/56/19/1043355619.db2.gz CAFPTFICTXJJBG-SNVBAGLBSA-N 1 2 347.673 4.483 20 30 EIEDLO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699658 1043355634 /nfs/dbraw/zinc/35/56/34/1043355634.db2.gz CAFPTFICTXJJBG-SNVBAGLBSA-N 1 2 347.673 4.483 20 30 EIEDLO C(=NNc1cc[nH+]c2ccccc12)c1csc(-c2ccsc2)n1 ZINC000730148610 1043456405 /nfs/dbraw/zinc/45/64/05/1043456405.db2.gz ZACNOCLKNWQJCO-UHFFFAOYSA-N 1 2 336.445 4.288 20 30 EIEDLO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1F ZINC000429234399 1043800042 /nfs/dbraw/zinc/80/00/42/1043800042.db2.gz GPHKQNZXBWCONR-UHFFFAOYSA-N 1 2 347.231 4.485 20 30 EIEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000732055616 1043871784 /nfs/dbraw/zinc/87/17/84/1043871784.db2.gz SVZYGXISCUPFPD-IBGZPJMESA-N 1 2 344.414 4.136 20 30 EIEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000732055616 1043871789 /nfs/dbraw/zinc/87/17/89/1043871789.db2.gz SVZYGXISCUPFPD-IBGZPJMESA-N 1 2 344.414 4.136 20 30 EIEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cn2ccccc12 ZINC000732989715 1044063745 /nfs/dbraw/zinc/06/37/45/1044063745.db2.gz UHWCYNPYXKVKGW-LJQANCHMSA-N 1 2 337.373 4.426 20 30 EIEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cn2ccccc12 ZINC000732989715 1044063760 /nfs/dbraw/zinc/06/37/60/1044063760.db2.gz UHWCYNPYXKVKGW-LJQANCHMSA-N 1 2 337.373 4.426 20 30 EIEDLO Oc1cccc(/C=[NH+]/CCCO[C@@H]2CCCc3ccccc32)c1O ZINC000733750146 1044300858 /nfs/dbraw/zinc/30/08/58/1044300858.db2.gz ODIVPZVQRXZEPV-KNGGAZFVSA-N 1 2 325.408 4.001 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1ncc(Br)cc1Cl)c1ccccc1 ZINC001168722547 1044516609 /nfs/dbraw/zinc/51/66/09/1044516609.db2.gz FRRPXIMILOXNGM-HNNXBMFYSA-N 1 2 349.659 4.352 20 30 EIEDLO Cc1cc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccc1C#N ZINC001211884704 1044814981 /nfs/dbraw/zinc/81/49/81/1044814981.db2.gz HHJDEBWEWQZCND-RTBURBONSA-N 1 2 344.418 4.473 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000625767955 1044866231 /nfs/dbraw/zinc/86/62/31/1044866231.db2.gz QNTWXYAFZKMUBV-UHFFFAOYSA-N 1 2 340.439 4.024 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000625767955 1044866232 /nfs/dbraw/zinc/86/62/32/1044866232.db2.gz QNTWXYAFZKMUBV-UHFFFAOYSA-N 1 2 340.439 4.024 20 30 EIEDLO C=CCCC[N@@H+](C)Cn1nc(C(C)C)n(Cc2ccco2)c1=S ZINC000736582122 1044954945 /nfs/dbraw/zinc/95/49/45/1044954945.db2.gz ILKZEEZRIJTMKM-UHFFFAOYSA-N 1 2 334.489 4.034 20 30 EIEDLO C=CCCC[N@H+](C)Cn1nc(C(C)C)n(Cc2ccco2)c1=S ZINC000736582122 1044954959 /nfs/dbraw/zinc/95/49/59/1044954959.db2.gz ILKZEEZRIJTMKM-UHFFFAOYSA-N 1 2 334.489 4.034 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cnn(-c2ccccc2)c1 ZINC000737443127 1045008138 /nfs/dbraw/zinc/00/81/38/1045008138.db2.gz HAHYSCVZSDMADI-BQYQJAHWSA-N 1 2 348.793 4.070 20 30 EIEDLO CN(C)c1cc(CSc2ccc(C#N)c(C(F)(F)F)c2)cc[nH+]1 ZINC000762476411 1045254604 /nfs/dbraw/zinc/25/46/04/1045254604.db2.gz APZKIWDMPVHJBB-UHFFFAOYSA-N 1 2 337.370 4.330 20 30 EIEDLO CCSCC[C@@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611347887 1045289028 /nfs/dbraw/zinc/28/90/28/1045289028.db2.gz QZXWBUSJGJXZJG-OAHLLOKOSA-N 1 2 342.512 4.016 20 30 EIEDLO CCSCC[C@@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611347887 1045289039 /nfs/dbraw/zinc/28/90/39/1045289039.db2.gz QZXWBUSJGJXZJG-OAHLLOKOSA-N 1 2 342.512 4.016 20 30 EIEDLO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1noc(-c2ccccc2)n1 ZINC000611393805 1045299347 /nfs/dbraw/zinc/29/93/47/1045299347.db2.gz MFAOTXZGHWKAQY-KUHUBIRLSA-N 1 2 344.418 4.336 20 30 EIEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000611468607 1045312491 /nfs/dbraw/zinc/31/24/91/1045312491.db2.gz SQHQQEOXMSVVJI-FQEVSTJZSA-N 1 2 332.451 4.433 20 30 EIEDLO Cc1ccc(-n2cnc3c2CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C3)cc1 ZINC000487981700 1045340375 /nfs/dbraw/zinc/34/03/75/1045340375.db2.gz OLKKTVDGYXLDIF-KRWDZBQOSA-N 1 2 342.446 4.172 20 30 EIEDLO Cc1ccc(-n2cnc3c2CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C3)cc1 ZINC000487981700 1045340383 /nfs/dbraw/zinc/34/03/83/1045340383.db2.gz OLKKTVDGYXLDIF-KRWDZBQOSA-N 1 2 342.446 4.172 20 30 EIEDLO CCCCN[NH+]=Cc1sc(Nc2ccccc2OC)nc1Cl ZINC000915970240 1045847534 /nfs/dbraw/zinc/84/75/34/1045847534.db2.gz ZVSDMHWLFMUGKH-UHFFFAOYSA-N 1 2 338.864 4.272 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(N2CCCCC2)c(F)c1 ZINC000769608622 1046034164 /nfs/dbraw/zinc/03/41/64/1046034164.db2.gz VSIBWDGVHQSKPU-NTMALXAHSA-N 1 2 349.409 4.360 20 30 EIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1F ZINC000771860384 1046515500 /nfs/dbraw/zinc/51/55/00/1046515500.db2.gz RCDZUPRHLFIYBU-WAYWQWQTSA-N 1 2 326.396 4.400 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc2ccc(C#N)cn12 ZINC000162788230 1046517899 /nfs/dbraw/zinc/51/78/99/1046517899.db2.gz DVJCDKUWLHWWAG-UHFFFAOYSA-N 1 2 342.855 4.109 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc2ccc(C#N)cn12 ZINC000162788230 1046517907 /nfs/dbraw/zinc/51/79/07/1046517907.db2.gz DVJCDKUWLHWWAG-UHFFFAOYSA-N 1 2 342.855 4.109 20 30 EIEDLO N#Cc1cccc([C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CCO2)c1 ZINC000804580682 1046637169 /nfs/dbraw/zinc/63/71/69/1046637169.db2.gz AXDCPKWMSTWPQL-LJQANCHMSA-N 1 2 349.821 4.338 20 30 EIEDLO Cc1cc(Nc2nc(Cl)c(C#N)s2)c[nH+]c1N1CCCC[C@@H]1C ZINC000804602560 1046649262 /nfs/dbraw/zinc/64/92/62/1046649262.db2.gz AXFPHRNXYRXAKS-NSHDSACASA-N 1 2 347.875 4.494 20 30 EIEDLO NC(=[NH+]OCc1csc(Br)c1)c1ccc(Cl)cc1 ZINC000917394308 1046861775 /nfs/dbraw/zinc/86/17/75/1046861775.db2.gz IRSXNJUGBTTZMG-UHFFFAOYSA-N 1 2 345.649 4.001 20 30 EIEDLO Cc1nc(F)ccc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000787129479 1046920053 /nfs/dbraw/zinc/92/00/53/1046920053.db2.gz SONDAXSHTUVOIS-QWRGUYRKSA-N 1 2 344.274 4.092 20 30 EIEDLO COc1ccc[nH+]c1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000537360732 1047172879 /nfs/dbraw/zinc/17/28/79/1047172879.db2.gz GLGGINAPDKBLSG-UHFFFAOYSA-N 1 2 345.402 4.153 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2csc(-c3ccco3)n2)C2CC2)cc1 ZINC000194538492 1047284611 /nfs/dbraw/zinc/28/46/11/1047284611.db2.gz BAJRELXUMQHJRE-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2csc(-c3ccco3)n2)C2CC2)cc1 ZINC000194538492 1047284625 /nfs/dbraw/zinc/28/46/25/1047284625.db2.gz BAJRELXUMQHJRE-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#CCCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898219603 1047568815 /nfs/dbraw/zinc/56/88/15/1047568815.db2.gz HZPBKYOTJNSIIX-UHFFFAOYSA-N 1 2 330.815 4.018 20 30 EIEDLO C=C(C)COc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1OC ZINC000898219434 1047570142 /nfs/dbraw/zinc/57/01/42/1047570142.db2.gz GTFXGTMNXWCQBZ-UHFFFAOYSA-N 1 2 347.842 4.299 20 30 EIEDLO Fc1c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cccc1C(F)(F)F ZINC001138006772 1048179865 /nfs/dbraw/zinc/17/98/65/1048179865.db2.gz ISTDBDYJKSDNRZ-LLVKDONJSA-N 1 2 329.259 4.414 20 30 EIEDLO Fc1c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cccc1C(F)(F)F ZINC001138006772 1048179868 /nfs/dbraw/zinc/17/98/68/1048179868.db2.gz ISTDBDYJKSDNRZ-LLVKDONJSA-N 1 2 329.259 4.414 20 30 EIEDLO CC(=[NH+]Nc1ccc(Br)cc1C)c1cc(N)ccc1F ZINC000814836254 1048196666 /nfs/dbraw/zinc/19/66/66/1048196666.db2.gz LZADDOJWEBBCBX-UHFFFAOYSA-N 1 2 336.208 4.315 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[NH+](CC)CC)cs2)CCCCC1 ZINC001143857944 1048256517 /nfs/dbraw/zinc/25/65/17/1048256517.db2.gz SSIWLXAJGBGSED-UHFFFAOYSA-N 1 2 335.517 4.450 20 30 EIEDLO COc1ccc(OC(F)(F)F)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001144003671 1048346285 /nfs/dbraw/zinc/34/62/85/1048346285.db2.gz UYQYWWAZUFQFPR-UHFFFAOYSA-N 1 2 342.361 4.252 20 30 EIEDLO COc1ccc(OC(F)(F)F)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001144003671 1048346299 /nfs/dbraw/zinc/34/62/99/1048346299.db2.gz UYQYWWAZUFQFPR-UHFFFAOYSA-N 1 2 342.361 4.252 20 30 EIEDLO CCOc1cccc(/C=[NH+]/C[C@@H](C)COCc2ccccc2)c1O ZINC000920173719 1048571772 /nfs/dbraw/zinc/57/17/72/1048571772.db2.gz GHLXVJDPRQOUCD-WMRWHDLOSA-N 1 2 327.424 4.063 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000921049433 1048843917 /nfs/dbraw/zinc/84/39/17/1048843917.db2.gz FLHMUIGBXFABBZ-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000921049433 1048843924 /nfs/dbraw/zinc/84/39/24/1048843924.db2.gz FLHMUIGBXFABBZ-UHFFFAOYSA-N 1 2 348.491 4.342 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccc(Cl)cc1 ZINC000811516815 1049103484 /nfs/dbraw/zinc/10/34/84/1049103484.db2.gz VLPBZEKVUXZYQL-SFHVURJKSA-N 1 2 336.822 4.361 20 30 EIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1nccc2ccccc21 ZINC000811698112 1049239272 /nfs/dbraw/zinc/23/92/72/1049239272.db2.gz IBHVEBODRIBYNI-AATRIKPKSA-N 1 2 331.400 4.378 20 30 EIEDLO CC(C)n1c[nH+]cc1CN=Nc1nc(Cl)c(Cl)cc1Cl ZINC000819804867 1049379264 /nfs/dbraw/zinc/37/92/64/1049379264.db2.gz KORDAODOJJHAMW-UHFFFAOYSA-N 1 2 332.622 4.265 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)[nH+]c1C ZINC000822730381 1049789325 /nfs/dbraw/zinc/78/93/25/1049789325.db2.gz KLYXELRFDKWXLS-FQEVSTJZSA-N 1 2 334.423 4.106 20 30 EIEDLO CCCCCCC[C@H](CC)[NH2+][C@H](Cc1ccccn1)C(=O)OCC ZINC001172350174 1049891465 /nfs/dbraw/zinc/89/14/65/1049891465.db2.gz KXPMZGQCGAEZBQ-PKOBYXMFSA-N 1 2 334.504 4.285 20 30 EIEDLO N#Cc1c(F)ccc(CNc2[nH+]c3ccccc3n2C2CC2)c1Cl ZINC000617815967 1050109320 /nfs/dbraw/zinc/10/93/20/1050109320.db2.gz CVLLQZGOWPZUCC-UHFFFAOYSA-N 1 2 340.789 4.069 20 30 EIEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c2cccnc12 ZINC001212699809 1050263389 /nfs/dbraw/zinc/26/33/89/1050263389.db2.gz FQOHZJHOSOEVBK-UHFFFAOYSA-N 1 2 325.375 4.095 20 30 EIEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173538617 1050473767 /nfs/dbraw/zinc/47/37/67/1050473767.db2.gz HTKOAQWFIRNBRJ-NHYWBVRUSA-N 1 2 330.255 4.022 20 30 EIEDLO Cc1ccc(C#N)c(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001249897427 1050571689 /nfs/dbraw/zinc/57/16/89/1050571689.db2.gz YQEYLUDIVQBHKU-UHFFFAOYSA-N 1 2 327.185 4.021 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCCC[C@H]3C#N)CC2)cc1 ZINC001173788752 1050572239 /nfs/dbraw/zinc/57/22/39/1050572239.db2.gz ABQFBAOLFCWGJM-KVZIAJEVSA-N 1 2 326.440 4.016 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([N@H+]3CCCC[C@H]3C#N)CC2)cc1 ZINC001173788752 1050572252 /nfs/dbraw/zinc/57/22/52/1050572252.db2.gz ABQFBAOLFCWGJM-KVZIAJEVSA-N 1 2 326.440 4.016 20 30 EIEDLO C=C(CC)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC001188046159 1050673178 /nfs/dbraw/zinc/67/31/78/1050673178.db2.gz MYXLEJNMSLTJOM-UHFFFAOYSA-N 1 2 342.512 4.312 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182615167 1050770221 /nfs/dbraw/zinc/77/02/21/1050770221.db2.gz YIQIYLHUHDKNOC-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182615167 1050770237 /nfs/dbraw/zinc/77/02/37/1050770237.db2.gz YIQIYLHUHDKNOC-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000619784383 1050900040 /nfs/dbraw/zinc/90/00/40/1050900040.db2.gz FYKGFOHHLAFARW-KRWDZBQOSA-N 1 2 349.331 4.043 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000619784383 1050900051 /nfs/dbraw/zinc/90/00/51/1050900051.db2.gz FYKGFOHHLAFARW-KRWDZBQOSA-N 1 2 349.331 4.043 20 30 EIEDLO CCCCCCC[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181122933 1051160024 /nfs/dbraw/zinc/16/00/24/1051160024.db2.gz ZCXAJECYMNXUNB-SJORKVTESA-N 1 2 344.490 4.315 20 30 EIEDLO CC#CC[NH+]1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001190751755 1051270803 /nfs/dbraw/zinc/27/08/03/1051270803.db2.gz DJNUFXWSCRJPSW-OAQYLSRUSA-N 1 2 338.882 4.070 20 30 EIEDLO CCCCCCCCNC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191069549 1051338941 /nfs/dbraw/zinc/33/89/41/1051338941.db2.gz MCOQIVCCNPMIDD-UHFFFAOYSA-N 1 2 347.503 4.001 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)c1 ZINC001175351296 1051541297 /nfs/dbraw/zinc/54/12/97/1051541297.db2.gz PYDLQAAUDLXSEL-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001182854203 1051722634 /nfs/dbraw/zinc/72/26/34/1051722634.db2.gz GNCWTJZYFQXIPE-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001182854203 1051722649 /nfs/dbraw/zinc/72/26/49/1051722649.db2.gz GNCWTJZYFQXIPE-LBPRGKRZSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1c(Cl)c(C#N)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175715412 1051734999 /nfs/dbraw/zinc/73/49/99/1051734999.db2.gz LKBGLZSSSLQMLA-UHFFFAOYSA-N 1 2 326.709 4.260 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717364 1051737939 /nfs/dbraw/zinc/73/79/39/1051737939.db2.gz INDFFWNHTPKSPN-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO C=C(C)C[C@H]([NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001183311423 1051822970 /nfs/dbraw/zinc/82/29/70/1051822970.db2.gz CSOHEMIALQQOLQ-ZBFHGGJFSA-N 1 2 344.282 4.412 20 30 EIEDLO COc1cccc(COc2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)c1 ZINC001183769930 1051891112 /nfs/dbraw/zinc/89/11/12/1051891112.db2.gz YSCHHJIEONWYOY-IBGZPJMESA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cccc(COc2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)c1 ZINC001183769930 1051891114 /nfs/dbraw/zinc/89/11/14/1051891114.db2.gz YSCHHJIEONWYOY-IBGZPJMESA-N 1 2 336.435 4.010 20 30 EIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184453089 1051979997 /nfs/dbraw/zinc/97/99/97/1051979997.db2.gz CLMIRFLHXCSUBE-GFCCVEGCSA-N 1 2 329.469 4.172 20 30 EIEDLO Cc1cc(C)c(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c[nH+]1 ZINC001176260782 1051987755 /nfs/dbraw/zinc/98/77/55/1051987755.db2.gz RSLCXKPVNCLDSD-UHFFFAOYSA-N 1 2 348.468 4.193 20 30 EIEDLO CCCCCCCOC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001194004523 1052046979 /nfs/dbraw/zinc/04/69/79/1052046979.db2.gz SNIABNZIJUUGQJ-UHFFFAOYSA-N 1 2 334.460 4.038 20 30 EIEDLO CC(C)(C#N)CC[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001176463692 1052082296 /nfs/dbraw/zinc/08/22/96/1052082296.db2.gz OODIWBKFFCYNTP-UHFFFAOYSA-N 1 2 341.680 4.400 20 30 EIEDLO CC(C)(C#N)CC[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001176463692 1052082309 /nfs/dbraw/zinc/08/23/09/1052082309.db2.gz OODIWBKFFCYNTP-UHFFFAOYSA-N 1 2 341.680 4.400 20 30 EIEDLO N#Cc1cc(Br)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184968451 1052136248 /nfs/dbraw/zinc/13/62/48/1052136248.db2.gz LQVOQXAUCAGGBT-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO Cn1c[nH+]c2cc(Nc3cc(Br)c(C#N)cc3F)ccc21 ZINC001185534736 1052264230 /nfs/dbraw/zinc/26/42/30/1052264230.db2.gz ILDWLNRMYYCTEB-UHFFFAOYSA-N 1 2 345.175 4.090 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(C(C)(C)C)no1 ZINC000185211829 1053014345 /nfs/dbraw/zinc/01/43/45/1053014345.db2.gz JKRRTZQIKIZBMA-CYBMUJFWSA-N 1 2 326.444 4.019 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1 ZINC000850351391 1053122853 /nfs/dbraw/zinc/12/28/53/1053122853.db2.gz AXLILUAADXBGSL-LPHOPBHVSA-N 1 2 342.487 4.423 20 30 EIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000864009144 1053132719 /nfs/dbraw/zinc/13/27/19/1053132719.db2.gz NDVGIDDFTNUBDY-UHFFFAOYSA-N 1 2 326.762 4.149 20 30 EIEDLO CCCCCCCCCCOC(=O)NCc1c[nH+]cn1CCF ZINC001194928837 1053174737 /nfs/dbraw/zinc/17/47/37/1053174737.db2.gz HORDGCNMQZYVBI-UHFFFAOYSA-N 1 2 327.444 4.220 20 30 EIEDLO N#Cc1ccc(C=CNc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001203299032 1053194412 /nfs/dbraw/zinc/19/44/12/1053194412.db2.gz WAMNGYRXAQGKHU-AATRIKPKSA-N 1 2 339.196 4.051 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000764887671 1053359070 /nfs/dbraw/zinc/35/90/70/1053359070.db2.gz YJBBVAFNYKBHRG-CYBMUJFWSA-N 1 2 336.530 4.262 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000764887671 1053359089 /nfs/dbraw/zinc/35/90/89/1053359089.db2.gz YJBBVAFNYKBHRG-CYBMUJFWSA-N 1 2 336.530 4.262 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765027300 1053417969 /nfs/dbraw/zinc/41/79/69/1053417969.db2.gz GZTWCGACDIGJEU-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765027300 1053417979 /nfs/dbraw/zinc/41/79/79/1053417979.db2.gz GZTWCGACDIGJEU-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765069056 1053429365 /nfs/dbraw/zinc/42/93/65/1053429365.db2.gz VUZAQUMUEJDEKG-CYBMUJFWSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765069056 1053429376 /nfs/dbraw/zinc/42/93/76/1053429376.db2.gz VUZAQUMUEJDEKG-CYBMUJFWSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765047852 1053429501 /nfs/dbraw/zinc/42/95/01/1053429501.db2.gz DFPPUAIZSKDNST-HOTGVXAUSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765069058 1053430128 /nfs/dbraw/zinc/43/01/28/1053430128.db2.gz VUZAQUMUEJDEKG-ZDUSSCGKSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765069058 1053430141 /nfs/dbraw/zinc/43/01/41/1053430141.db2.gz VUZAQUMUEJDEKG-ZDUSSCGKSA-N 1 2 348.541 4.406 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000852330219 1053570520 /nfs/dbraw/zinc/57/05/20/1053570520.db2.gz BZWQPDLMHUVDMX-TZIWHRDSSA-N 1 2 335.426 4.155 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000852330219 1053570534 /nfs/dbraw/zinc/57/05/34/1053570534.db2.gz BZWQPDLMHUVDMX-TZIWHRDSSA-N 1 2 335.426 4.155 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000852330218 1053571697 /nfs/dbraw/zinc/57/16/97/1053571697.db2.gz BZWQPDLMHUVDMX-PZJWPPBQSA-N 1 2 335.426 4.155 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000852330218 1053571709 /nfs/dbraw/zinc/57/17/09/1053571709.db2.gz BZWQPDLMHUVDMX-PZJWPPBQSA-N 1 2 335.426 4.155 20 30 EIEDLO C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(C#N)c1O ZINC000866285035 1053679155 /nfs/dbraw/zinc/67/91/55/1053679155.db2.gz WAMVKMBXWMXRFL-KSSFIOAISA-N 1 2 334.419 4.361 20 30 EIEDLO C[N@H+](CCc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC001196646961 1053711697 /nfs/dbraw/zinc/71/16/97/1053711697.db2.gz VGFDLZIOOZZIBF-LJQANCHMSA-N 1 2 328.406 4.299 20 30 EIEDLO C[N@@H+](CCc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC001196646961 1053711713 /nfs/dbraw/zinc/71/17/13/1053711713.db2.gz VGFDLZIOOZZIBF-LJQANCHMSA-N 1 2 328.406 4.299 20 30 EIEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490471 1054163074 /nfs/dbraw/zinc/16/30/74/1054163074.db2.gz KCWYSINMNWETEQ-GOEBONIOSA-N 1 2 341.480 4.096 20 30 EIEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490471 1054163082 /nfs/dbraw/zinc/16/30/82/1054163082.db2.gz KCWYSINMNWETEQ-GOEBONIOSA-N 1 2 341.480 4.096 20 30 EIEDLO C=CCc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1OC ZINC000776173752 1054802506 /nfs/dbraw/zinc/80/25/06/1054802506.db2.gz JIYNZPBKGAIEDM-UHFFFAOYSA-N 1 2 347.842 4.081 20 30 EIEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000776186123 1054804404 /nfs/dbraw/zinc/80/44/04/1054804404.db2.gz UHJWTNYCHNNEEB-OAHLLOKOSA-N 1 2 348.805 4.155 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Br)=C/c1ccccc1 ZINC001201460934 1054806120 /nfs/dbraw/zinc/80/61/20/1054806120.db2.gz UYQSPBHPKUGDKC-DHSZHLBOSA-N 1 2 331.257 4.189 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Br)=C/c1ccccc1 ZINC001201460934 1054806122 /nfs/dbraw/zinc/80/61/22/1054806122.db2.gz UYQSPBHPKUGDKC-DHSZHLBOSA-N 1 2 331.257 4.189 20 30 EIEDLO CCCCCCCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126108117 1054947913 /nfs/dbraw/zinc/94/79/13/1054947913.db2.gz MHVAGGFCGTYION-UHFFFAOYSA-N 1 2 332.488 4.126 20 30 EIEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000126719790 1055123299 /nfs/dbraw/zinc/12/32/99/1055123299.db2.gz HBGDGKDUWOQGDS-UHFFFAOYSA-N 1 2 334.444 4.112 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccco1 ZINC000863329749 1055187452 /nfs/dbraw/zinc/18/74/52/1055187452.db2.gz FLRHIQGXNDWPRT-UHFFFAOYSA-N 1 2 344.484 4.084 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccco1 ZINC000863329749 1055187459 /nfs/dbraw/zinc/18/74/59/1055187459.db2.gz FLRHIQGXNDWPRT-UHFFFAOYSA-N 1 2 344.484 4.084 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1Br ZINC001137815533 1055324329 /nfs/dbraw/zinc/32/43/29/1055324329.db2.gz OPQCHYSKYKUWFU-CNDDSTCGSA-N 1 2 339.664 4.369 20 30 EIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1Br ZINC001137815533 1055324345 /nfs/dbraw/zinc/32/43/45/1055324345.db2.gz OPQCHYSKYKUWFU-CNDDSTCGSA-N 1 2 339.664 4.369 20 30 EIEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)OCC ZINC000921663815 1055510406 /nfs/dbraw/zinc/51/04/06/1055510406.db2.gz QQADNEMVVPNURM-QGZVFWFLSA-N 1 2 327.428 4.003 20 30 EIEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c(C(F)(F)F)c1 ZINC000301358532 1055924481 /nfs/dbraw/zinc/92/44/81/1055924481.db2.gz ZKJFVMWHJIKGFW-UHFFFAOYSA-N 1 2 346.356 4.184 20 30 EIEDLO Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc[nH+]1 ZINC000075936785 1056830375 /nfs/dbraw/zinc/83/03/75/1056830375.db2.gz VAYKRWOAUUCYNZ-UHFFFAOYSA-N 1 2 343.386 4.093 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(OC(F)(F)F)c3)c[nH+]c12 ZINC000741466722 1058223689 /nfs/dbraw/zinc/22/36/89/1058223689.db2.gz BWTQVILBFNIJJD-FPLPWBNLSA-N 1 2 346.308 4.437 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3sccc3Br)c[nH+]c12 ZINC000741467329 1058224694 /nfs/dbraw/zinc/22/46/94/1058224694.db2.gz KIRRRKHEJBAYBM-PLNGDYQASA-N 1 2 347.237 4.363 20 30 EIEDLO COc1cccc2cc(C(=O)/C=C/c3c[nH+]c4c(C)cccn34)oc21 ZINC000741471440 1058227388 /nfs/dbraw/zinc/22/73/88/1058227388.db2.gz MDALCLPMVSWPMO-CMDGGOBGSA-N 1 2 332.359 4.294 20 30 EIEDLO COc1ccc(C)cc1C(=O)/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000737444115 1058341593 /nfs/dbraw/zinc/34/15/93/1058341593.db2.gz NZJHJDYLEHIXLK-AATRIKPKSA-N 1 2 326.783 4.201 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000743045286 1058850295 /nfs/dbraw/zinc/85/02/95/1058850295.db2.gz DIRYTSJQMJHPBA-CUWVFCPNSA-N 1 2 339.435 4.296 20 30 EIEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000066215721 215023156 /nfs/dbraw/zinc/02/31/56/215023156.db2.gz QXLGNVSSSHLADH-UHFFFAOYSA-N 1 2 333.646 4.259 20 30 EIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533419598 1032745653 /nfs/dbraw/zinc/74/56/53/1032745653.db2.gz JIZBNCOTJXVKAT-KRWDZBQOSA-N 1 2 336.435 4.458 20 30 EIEDLO C=C(C)[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187781607 1019785103 /nfs/dbraw/zinc/78/51/03/1019785103.db2.gz VLNXNTCUPXHLTI-MOPGFXCFSA-N 1 2 344.405 4.001 20 30 EIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000274911852 1019853350 /nfs/dbraw/zinc/85/33/50/1019853350.db2.gz WNKPRJVBWANQHC-APPDUMDISA-N 1 2 335.350 4.312 20 30 EIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc2ccccc2n1C(F)F ZINC000547747332 1019999299 /nfs/dbraw/zinc/99/92/99/1019999299.db2.gz ZJLKFFVWBWWDCR-NSHDSACASA-N 1 2 344.340 4.293 20 30 EIEDLO Cc1cccc(C[NH+](Cc2ccc(C#N)cc2)Cc2cccc(C)n2)n1 ZINC000083595435 1022021617 /nfs/dbraw/zinc/02/16/17/1022021617.db2.gz WKZNJOGMFIVKFS-UHFFFAOYSA-N 1 2 342.446 4.168 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001167421531 1022276846 /nfs/dbraw/zinc/27/68/46/1022276846.db2.gz VYNFQKNIOPEMLJ-IBGZPJMESA-N 1 2 327.880 4.482 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001167421531 1022276868 /nfs/dbraw/zinc/27/68/68/1022276868.db2.gz VYNFQKNIOPEMLJ-IBGZPJMESA-N 1 2 327.880 4.482 20 30 EIEDLO Cc1c[nH+]cc(C)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001625885050 1022378477 /nfs/dbraw/zinc/37/84/77/1022378477.db2.gz YLQGLXTZYMEJEL-UHFFFAOYSA-N 1 2 343.386 4.037 20 30 EIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000581148090 1022856645 /nfs/dbraw/zinc/85/66/45/1022856645.db2.gz STZHEILPZUJIEQ-LLVKDONJSA-N 1 2 346.780 4.360 20 30 EIEDLO COc1ccc(F)cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000581155576 1022861223 /nfs/dbraw/zinc/86/12/23/1022861223.db2.gz YQCDUEDPKZZQDW-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO COc1ccc(F)cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000581155576 1022861226 /nfs/dbraw/zinc/86/12/26/1022861226.db2.gz YQCDUEDPKZZQDW-UHFFFAOYSA-N 1 2 345.258 4.151 20 30 EIEDLO C=C(C)C[N@@H+](Cc1csc(-c2cnn(C)c2)n1)Cc1ccccc1 ZINC000684209103 1023065976 /nfs/dbraw/zinc/06/59/76/1023065976.db2.gz YLQTUVKFXWVNLZ-UHFFFAOYSA-N 1 2 338.480 4.122 20 30 EIEDLO C=C(C)C[N@H+](Cc1csc(-c2cnn(C)c2)n1)Cc1ccccc1 ZINC000684209103 1023065988 /nfs/dbraw/zinc/06/59/88/1023065988.db2.gz YLQTUVKFXWVNLZ-UHFFFAOYSA-N 1 2 338.480 4.122 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712451 1023226071 /nfs/dbraw/zinc/22/60/71/1023226071.db2.gz XTRVTNKIIFHAFZ-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712451 1023226083 /nfs/dbraw/zinc/22/60/83/1023226083.db2.gz XTRVTNKIIFHAFZ-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cc2cccc(F)c2o1 ZINC000330036504 1023228900 /nfs/dbraw/zinc/22/89/00/1023228900.db2.gz YHVKCMPWDZXCIG-AAEUAGOBSA-N 1 2 327.359 4.049 20 30 EIEDLO C=CC[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000584727599 1023244454 /nfs/dbraw/zinc/24/44/54/1023244454.db2.gz NYXGUTBVWRQMHK-VAMGGRTRSA-N 1 2 349.478 4.281 20 30 EIEDLO Cc1cc2c(s1)N(c1cncc(F)c1C#N)c1ccccc1NC2=[NH2+] ZINC001167467762 1023334678 /nfs/dbraw/zinc/33/46/78/1023334678.db2.gz CXKHSWRKJOAFKJ-UHFFFAOYSA-N 1 2 349.394 4.283 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000276430039 1023505455 /nfs/dbraw/zinc/50/54/55/1023505455.db2.gz NKWNQKSBIRNIBF-UHFFFAOYSA-N 1 2 329.469 4.144 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000276430039 1023505460 /nfs/dbraw/zinc/50/54/60/1023505460.db2.gz NKWNQKSBIRNIBF-UHFFFAOYSA-N 1 2 329.469 4.144 20 30 EIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989054 1023532686 /nfs/dbraw/zinc/53/26/86/1023532686.db2.gz RVTHAWQGOZUUGU-MRXNPFEDSA-N 1 2 345.855 4.049 20 30 EIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989054 1023532703 /nfs/dbraw/zinc/53/27/03/1023532703.db2.gz RVTHAWQGOZUUGU-MRXNPFEDSA-N 1 2 345.855 4.049 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000123259909 1023614917 /nfs/dbraw/zinc/61/49/17/1023614917.db2.gz XKIIHRQEYXDXSZ-UHFFFAOYSA-N 1 2 349.482 4.034 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cc1sccc1NC(=O)OC(C)(C)C ZINC000891466101 1023679752 /nfs/dbraw/zinc/67/97/52/1023679752.db2.gz ZIHKTORHMUXTGE-UHFFFAOYSA-N 1 2 337.489 4.467 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cc1sccc1NC(=O)OC(C)(C)C ZINC000891466101 1023679756 /nfs/dbraw/zinc/67/97/56/1023679756.db2.gz ZIHKTORHMUXTGE-UHFFFAOYSA-N 1 2 337.489 4.467 20 30 EIEDLO C=CCC[N@@H+](Cc1csc(Br)n1)Cc1ccccc1 ZINC001137581820 1024187462 /nfs/dbraw/zinc/18/74/62/1024187462.db2.gz IKQSVDWQBAOMRH-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO C=CCC[N@H+](Cc1csc(Br)n1)Cc1ccccc1 ZINC001137581820 1024187481 /nfs/dbraw/zinc/18/74/81/1024187481.db2.gz IKQSVDWQBAOMRH-UHFFFAOYSA-N 1 2 337.286 4.484 20 30 EIEDLO CCn1nc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137359 1024366447 /nfs/dbraw/zinc/36/64/47/1024366447.db2.gz HMMFTCJCQXLGDF-CTNGQTDRSA-N 1 2 344.462 4.328 20 30 EIEDLO CCn1nc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccccc21 ZINC000473137359 1024366467 /nfs/dbraw/zinc/36/64/67/1024366467.db2.gz HMMFTCJCQXLGDF-CTNGQTDRSA-N 1 2 344.462 4.328 20 30 EIEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000278924033 1025619700 /nfs/dbraw/zinc/61/97/00/1025619700.db2.gz LWBMEAZNYBMZAN-JTQLQIEISA-N 1 2 328.334 4.003 20 30 EIEDLO CC[N@H+](Cc1nc(CCC(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064515286 1025816173 /nfs/dbraw/zinc/81/61/73/1025816173.db2.gz BDKGZAQAAVQAFS-HNNXBMFYSA-N 1 2 326.444 4.113 20 30 EIEDLO CC[N@@H+](Cc1nc(CCC(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064515286 1025816174 /nfs/dbraw/zinc/81/61/74/1025816174.db2.gz BDKGZAQAAVQAFS-HNNXBMFYSA-N 1 2 326.444 4.113 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1c(F)cccc1F ZINC000539235000 1025895362 /nfs/dbraw/zinc/89/53/62/1025895362.db2.gz YKOZTPBUNCTZLB-SNVBAGLBSA-N 1 2 338.304 4.289 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728903239 1026351225 /nfs/dbraw/zinc/35/12/25/1026351225.db2.gz WDGKOQLGCSXIBV-UHFFFAOYSA-N 1 2 344.528 4.414 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728903239 1026351234 /nfs/dbraw/zinc/35/12/34/1026351234.db2.gz WDGKOQLGCSXIBV-UHFFFAOYSA-N 1 2 344.528 4.414 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1F ZINC000894747524 1026391441 /nfs/dbraw/zinc/39/14/41/1026391441.db2.gz LZJWAOOLUJSTBG-LJQANCHMSA-N 1 2 329.802 4.016 20 30 EIEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000277583748 1026585021 /nfs/dbraw/zinc/58/50/21/1026585021.db2.gz CNLQEDVUHMREEO-SFHVURJKSA-N 1 2 338.455 4.198 20 30 EIEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000277583748 1026585030 /nfs/dbraw/zinc/58/50/30/1026585030.db2.gz CNLQEDVUHMREEO-SFHVURJKSA-N 1 2 338.455 4.198 20 30 EIEDLO C=C[C@@H](CC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277603424 1026641644 /nfs/dbraw/zinc/64/16/44/1026641644.db2.gz QEIHUDQIISYXDH-SFHVURJKSA-N 1 2 339.483 4.044 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccc(F)c(F)c1 ZINC000187760971 1026664025 /nfs/dbraw/zinc/66/40/25/1026664025.db2.gz VBEBKVVCYWTDEP-LJQANCHMSA-N 1 2 327.378 4.328 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Br ZINC000507191062 1026694834 /nfs/dbraw/zinc/69/48/34/1026694834.db2.gz NNEHKCILLRQVSF-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Br ZINC000507191062 1026694840 /nfs/dbraw/zinc/69/48/40/1026694840.db2.gz NNEHKCILLRQVSF-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000475465309 1027374031 /nfs/dbraw/zinc/37/40/31/1027374031.db2.gz IVVXMCUBRIPKSY-UHFFFAOYSA-N 1 2 330.391 4.130 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000441342864 1027479268 /nfs/dbraw/zinc/47/92/68/1027479268.db2.gz FFBUDNTYMOGJPB-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000441363186 1027488232 /nfs/dbraw/zinc/48/82/32/1027488232.db2.gz WZIQRBWTURVNED-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)cc1OC ZINC000896505967 1027526939 /nfs/dbraw/zinc/52/69/39/1027526939.db2.gz RBJLGVIAOSSUCX-MRXNPFEDSA-N 1 2 336.435 4.106 20 30 EIEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)cc1OC ZINC000896505967 1027526950 /nfs/dbraw/zinc/52/69/50/1027526950.db2.gz RBJLGVIAOSSUCX-MRXNPFEDSA-N 1 2 336.435 4.106 20 30 EIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CCO1 ZINC000329102699 1027590130 /nfs/dbraw/zinc/59/01/30/1027590130.db2.gz NKEVDEACPPXOBS-KMOPNRPKSA-N 1 2 345.487 4.203 20 30 EIEDLO C[C@H]1C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1=O ZINC000328903417 1027823152 /nfs/dbraw/zinc/82/31/52/1027823152.db2.gz HWDZMVAWCSLNHH-NWDGAFQWSA-N 1 2 331.803 4.119 20 30 EIEDLO C=C(C)CN(CC)C(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000523200287 1027861023 /nfs/dbraw/zinc/86/10/23/1027861023.db2.gz PNQMKXAWJDPQRX-UHFFFAOYSA-N 1 2 334.463 4.094 20 30 EIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330780032 1027887208 /nfs/dbraw/zinc/88/72/08/1027887208.db2.gz NBPKOLDUPHBKHT-INIZCTEOSA-N 1 2 327.472 4.071 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330802176 1027888320 /nfs/dbraw/zinc/88/83/20/1027888320.db2.gz AROUWMUTMLFUNY-CRAIPNDOSA-N 1 2 327.472 4.154 20 30 EIEDLO N#Cc1csc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000583063466 1027935974 /nfs/dbraw/zinc/93/59/74/1027935974.db2.gz DWLJFBYFPBHVRR-UHFFFAOYSA-N 1 2 334.448 4.432 20 30 EIEDLO Cc1cc(C)c(NC(=O)NCc2nc(C(C)(C)C)cs2)c(C)[nH+]1 ZINC000331316620 1027951097 /nfs/dbraw/zinc/95/10/97/1027951097.db2.gz JGFUKVPTLLFRCF-UHFFFAOYSA-N 1 2 332.473 4.287 20 30 EIEDLO O=C(N[C@H]1CCCCC12CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329847935 1028139104 /nfs/dbraw/zinc/13/91/04/1028139104.db2.gz YUBLJUKPMUCIKQ-INIZCTEOSA-N 1 2 330.476 4.006 20 30 EIEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329847937 1028139541 /nfs/dbraw/zinc/13/95/41/1028139541.db2.gz YUBLJUKPMUCIKQ-MRXNPFEDSA-N 1 2 330.476 4.006 20 30 EIEDLO CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000330249294 1028237943 /nfs/dbraw/zinc/23/79/43/1028237943.db2.gz MPRAHQLEQAKIDK-CZUORRHYSA-N 1 2 333.819 4.319 20 30 EIEDLO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(Cl)cc2c1OCC2 ZINC000897338280 1028473322 /nfs/dbraw/zinc/47/33/22/1028473322.db2.gz NCAMWEABGSEMGS-JTQLQIEISA-N 1 2 348.233 4.046 20 30 EIEDLO C=C(C)c1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000934873104 1028557826 /nfs/dbraw/zinc/55/78/26/1028557826.db2.gz FZCKNVSDFMDPLP-UHFFFAOYSA-N 1 2 336.439 4.037 20 30 EIEDLO N#Cc1ccc(Br)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089100 1028845154 /nfs/dbraw/zinc/84/51/54/1028845154.db2.gz UEXAPIUFQVPMPL-UHFFFAOYSA-N 1 2 339.196 4.454 20 30 EIEDLO COc1ccc(Br)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000524811864 1029234089 /nfs/dbraw/zinc/23/40/89/1029234089.db2.gz RJORJNOMHIQMCL-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO COc1ccc(Br)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000524811864 1029234102 /nfs/dbraw/zinc/23/41/02/1029234102.db2.gz RJORJNOMHIQMCL-UHFFFAOYSA-N 1 2 339.277 4.219 20 30 EIEDLO C=C(C)CN(CC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278552215 1029482458 /nfs/dbraw/zinc/48/24/58/1029482458.db2.gz HLOSPOKNCWKIHW-UHFFFAOYSA-N 1 2 338.455 4.316 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)cc1OC ZINC000428461117 1029658638 /nfs/dbraw/zinc/65/86/38/1029658638.db2.gz HYFGLDRTUPMVSM-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)cc1OC ZINC000428461117 1029658641 /nfs/dbraw/zinc/65/86/41/1029658641.db2.gz HYFGLDRTUPMVSM-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO N#CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000182444607 1029937935 /nfs/dbraw/zinc/93/79/35/1029937935.db2.gz DDYNXRMVKKYPJO-QGZVFWFLSA-N 1 2 329.787 4.383 20 30 EIEDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447539619 1030145071 /nfs/dbraw/zinc/14/50/71/1030145071.db2.gz HINQZUFJYWRNSE-PMACEKPBSA-N 1 2 348.425 4.261 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCC1 ZINC000191972857 1030669078 /nfs/dbraw/zinc/66/90/78/1030669078.db2.gz YFFPZQKYBCMGKO-UHFFFAOYSA-N 1 2 333.501 4.060 20 30 EIEDLO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(C#N)c1 ZINC000103225701 1030864195 /nfs/dbraw/zinc/86/41/95/1030864195.db2.gz VIMSJBAMKBOQRO-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(C#N)c1 ZINC000103225701 1030864196 /nfs/dbraw/zinc/86/41/96/1030864196.db2.gz VIMSJBAMKBOQRO-UHFFFAOYSA-N 1 2 339.345 4.123 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000052580329 1031036450 /nfs/dbraw/zinc/03/64/50/1031036450.db2.gz MGXYGJAJFACQOK-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000052580329 1031036465 /nfs/dbraw/zinc/03/64/65/1031036465.db2.gz MGXYGJAJFACQOK-HNNXBMFYSA-N 1 2 332.407 4.110 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000612162197 1031077125 /nfs/dbraw/zinc/07/71/25/1031077125.db2.gz HXNWCYOEXUMBIS-OAQYLSRUSA-N 1 2 333.435 4.065 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000612162197 1031077143 /nfs/dbraw/zinc/07/71/43/1031077143.db2.gz HXNWCYOEXUMBIS-OAQYLSRUSA-N 1 2 333.435 4.065 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407073 1031486477 /nfs/dbraw/zinc/48/64/77/1031486477.db2.gz YOIYQTTWWBOMRV-NRFANRHFSA-N 1 2 336.483 4.295 20 30 EIEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407073 1031486488 /nfs/dbraw/zinc/48/64/88/1031486488.db2.gz YOIYQTTWWBOMRV-NRFANRHFSA-N 1 2 336.483 4.295 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000612406417 1031488382 /nfs/dbraw/zinc/48/83/82/1031488382.db2.gz LSBUCYJNPYSAIU-JOCHJYFZSA-N 1 2 348.494 4.351 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000612406417 1031488386 /nfs/dbraw/zinc/48/83/86/1031488386.db2.gz LSBUCYJNPYSAIU-JOCHJYFZSA-N 1 2 348.494 4.351 20 30 EIEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127631998 1031702743 /nfs/dbraw/zinc/70/27/43/1031702743.db2.gz IRQZKPVCOOWHBB-AWEZNQCLSA-N 1 2 333.357 4.238 20 30 EIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127631998 1031702757 /nfs/dbraw/zinc/70/27/57/1031702757.db2.gz IRQZKPVCOOWHBB-AWEZNQCLSA-N 1 2 333.357 4.238 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCc2nc(C(C)(C)C)cs2)c1O ZINC000729641618 1031832779 /nfs/dbraw/zinc/83/27/79/1031832779.db2.gz PTHMBWONRFVBQS-ODLFYWEKSA-N 1 2 332.469 4.207 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459338834 1031856547 /nfs/dbraw/zinc/85/65/47/1031856547.db2.gz AVVNYLDTULQORK-INIZCTEOSA-N 1 2 349.482 4.184 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459338834 1031856555 /nfs/dbraw/zinc/85/65/55/1031856555.db2.gz AVVNYLDTULQORK-INIZCTEOSA-N 1 2 349.482 4.184 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000614166846 1033549775 /nfs/dbraw/zinc/54/97/75/1033549775.db2.gz SJJBWGJQGDWXOU-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000614166846 1033549784 /nfs/dbraw/zinc/54/97/84/1033549784.db2.gz SJJBWGJQGDWXOU-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO N#CC1(CCN2CC[NH+](C/C=C\c3ccccc3)CC2)CCCCC1 ZINC000411159588 1033690319 /nfs/dbraw/zinc/69/03/19/1033690319.db2.gz YWOJMTQJKLZFQN-YFHOEESVSA-N 1 2 337.511 4.182 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000509806073 1034039875 /nfs/dbraw/zinc/03/98/75/1034039875.db2.gz NLSDCIZZSNAKKA-NSHDSACASA-N 1 2 333.775 4.100 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000509806073 1034039890 /nfs/dbraw/zinc/03/98/90/1034039890.db2.gz NLSDCIZZSNAKKA-NSHDSACASA-N 1 2 333.775 4.100 20 30 EIEDLO COc1cc(OC)cc(Oc2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2)c1 ZINC000509814629 1034046578 /nfs/dbraw/zinc/04/65/78/1034046578.db2.gz LKXVIYIMUCITPD-HNNXBMFYSA-N 1 2 340.423 4.088 20 30 EIEDLO COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2)c1 ZINC000509814629 1034046588 /nfs/dbraw/zinc/04/65/88/1034046588.db2.gz LKXVIYIMUCITPD-HNNXBMFYSA-N 1 2 340.423 4.088 20 30 EIEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280312031 1035228586 /nfs/dbraw/zinc/22/85/86/1035228586.db2.gz UIWRBKKTAGKMNY-QGZVFWFLSA-N 1 2 342.443 4.295 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000029685206 1035736521 /nfs/dbraw/zinc/73/65/21/1035736521.db2.gz WLNUKIVJWFFNAM-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2c1 ZINC000151375558 1035744502 /nfs/dbraw/zinc/74/45/02/1035744502.db2.gz VUENBAVQLSFGJI-GQCTYLIASA-N 1 2 341.754 4.100 20 30 EIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613610 1035752494 /nfs/dbraw/zinc/75/24/94/1035752494.db2.gz FROUILHRDDKONE-ZFWWWQNUSA-N 1 2 344.846 4.000 20 30 EIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613610 1035752519 /nfs/dbraw/zinc/75/25/19/1035752519.db2.gz FROUILHRDDKONE-ZFWWWQNUSA-N 1 2 344.846 4.000 20 30 EIEDLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](CC)[C@@H](C)C#N ZINC000595818213 1035794886 /nfs/dbraw/zinc/79/48/86/1035794886.db2.gz SVUDYRMKUCWJOQ-AWEZNQCLSA-N 1 2 349.906 4.417 20 30 EIEDLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](CC)[C@@H](C)C#N ZINC000595818213 1035794915 /nfs/dbraw/zinc/79/49/15/1035794915.db2.gz SVUDYRMKUCWJOQ-AWEZNQCLSA-N 1 2 349.906 4.417 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000571573342 1036080397 /nfs/dbraw/zinc/08/03/97/1036080397.db2.gz RBLFKSUKKMDJQK-MRVPVSSYSA-N 1 2 329.259 4.461 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CCC1(F)F ZINC000571573342 1036080418 /nfs/dbraw/zinc/08/04/18/1036080418.db2.gz RBLFKSUKKMDJQK-MRVPVSSYSA-N 1 2 329.259 4.461 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000602447094 1036451712 /nfs/dbraw/zinc/45/17/12/1036451712.db2.gz ATCJBUYCZMQHGP-LBPRGKRZSA-N 1 2 346.272 4.228 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000602447094 1036451726 /nfs/dbraw/zinc/45/17/26/1036451726.db2.gz ATCJBUYCZMQHGP-LBPRGKRZSA-N 1 2 346.272 4.228 20 30 EIEDLO N#CCn1c(/C=C/c2c[nH+]c3ccc(Cl)cn23)nc2ccccc21 ZINC000486075082 1036463382 /nfs/dbraw/zinc/46/33/82/1036463382.db2.gz IHUKMPRKCNNKJC-SOFGYWHQSA-N 1 2 333.782 4.031 20 30 EIEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000602870866 1036653349 /nfs/dbraw/zinc/65/33/49/1036653349.db2.gz XYYFCCFMOKBNND-CABCVRRESA-N 1 2 339.464 4.057 20 30 EIEDLO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccs1 ZINC000060942700 1036686547 /nfs/dbraw/zinc/68/65/47/1036686547.db2.gz WMXXNMMIALXNKG-UHFFFAOYSA-N 1 2 328.481 4.178 20 30 EIEDLO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccs1 ZINC000060942700 1036686552 /nfs/dbraw/zinc/68/65/52/1036686552.db2.gz WMXXNMMIALXNKG-UHFFFAOYSA-N 1 2 328.481 4.178 20 30 EIEDLO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000598679344 1036742415 /nfs/dbraw/zinc/74/24/15/1036742415.db2.gz GZQVUBBTBAUNPA-LEWSCRJBSA-N 1 2 343.215 4.427 20 30 EIEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3Br)CCC2)o1 ZINC000593642991 1036819666 /nfs/dbraw/zinc/81/96/66/1036819666.db2.gz VFPPAKARKSJHPK-UHFFFAOYSA-N 1 2 331.213 4.083 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000590193160 1037008086 /nfs/dbraw/zinc/00/80/86/1037008086.db2.gz GHSFKOJUARHLHK-WBMJQRKESA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000590193160 1037008106 /nfs/dbraw/zinc/00/81/06/1037008106.db2.gz GHSFKOJUARHLHK-WBMJQRKESA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000590959766 1037214723 /nfs/dbraw/zinc/21/47/23/1037214723.db2.gz BWTRGUVJMHOJAK-OAQYLSRUSA-N 1 2 349.482 4.186 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000590959766 1037214753 /nfs/dbraw/zinc/21/47/53/1037214753.db2.gz BWTRGUVJMHOJAK-OAQYLSRUSA-N 1 2 349.482 4.186 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000513784639 1037603520 /nfs/dbraw/zinc/60/35/20/1037603520.db2.gz WCKLXIDGHVKDTC-MRXNPFEDSA-N 1 2 349.434 4.494 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000513784639 1037603539 /nfs/dbraw/zinc/60/35/39/1037603539.db2.gz WCKLXIDGHVKDTC-MRXNPFEDSA-N 1 2 349.434 4.494 20 30 EIEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N ZINC000533955289 1038226251 /nfs/dbraw/zinc/22/62/51/1038226251.db2.gz DZYLAOVYIKHIES-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N ZINC000533955289 1038226269 /nfs/dbraw/zinc/22/62/69/1038226269.db2.gz DZYLAOVYIKHIES-GOSISDBHSA-N 1 2 347.418 4.435 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000490064214 1038326381 /nfs/dbraw/zinc/32/63/81/1038326381.db2.gz HGHOPSDONSDZGJ-MRVPVSSYSA-N 1 2 329.322 4.023 20 30 EIEDLO N#CC1(c2ccc(CNc3ccc(N4CCCCC4)[nH+]c3)cc2)CC1 ZINC000594734026 1038396456 /nfs/dbraw/zinc/39/64/56/1038396456.db2.gz MDDOPUIUVWTJMO-UHFFFAOYSA-N 1 2 332.451 4.239 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(OC2CC2)c1F ZINC000594734857 1038398038 /nfs/dbraw/zinc/39/80/38/1038398038.db2.gz GBYWGHYNCGNLTR-UHFFFAOYSA-N 1 2 341.386 4.057 20 30 EIEDLO Cc1c(C#N)c(Br)ccc1NCc1c[nH+]cn1C(C)C ZINC000424727511 1039057105 /nfs/dbraw/zinc/05/71/05/1039057105.db2.gz VUOUIGGHSPNRRU-UHFFFAOYSA-N 1 2 333.233 4.019 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000552405445 1039472532 /nfs/dbraw/zinc/47/25/32/1039472532.db2.gz BXAYZDHYYTVBFX-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000552405445 1039472560 /nfs/dbraw/zinc/47/25/60/1039472560.db2.gz BXAYZDHYYTVBFX-GFCCVEGCSA-N 1 2 336.407 4.042 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000122147708 1040009391 /nfs/dbraw/zinc/00/93/91/1040009391.db2.gz FPGKFHNREMHSSR-UHFFFAOYSA-N 1 2 347.418 4.244 20 30 EIEDLO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000122147708 1040009407 /nfs/dbraw/zinc/00/94/07/1040009407.db2.gz FPGKFHNREMHSSR-UHFFFAOYSA-N 1 2 347.418 4.244 20 30 EIEDLO C=C(C)COc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1OC ZINC000505641651 1040222008 /nfs/dbraw/zinc/22/20/08/1040222008.db2.gz VBPFVMZLDUHDIS-INIZCTEOSA-N 1 2 326.440 4.028 20 30 EIEDLO C=C(C)COc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1OC ZINC000505641651 1040222024 /nfs/dbraw/zinc/22/20/24/1040222024.db2.gz VBPFVMZLDUHDIS-INIZCTEOSA-N 1 2 326.440 4.028 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000539836815 1040831503 /nfs/dbraw/zinc/83/15/03/1040831503.db2.gz HQZPXYVAMSZPEG-DNVCBOLYSA-N 1 2 326.465 4.199 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000539836815 1040831507 /nfs/dbraw/zinc/83/15/07/1040831507.db2.gz HQZPXYVAMSZPEG-DNVCBOLYSA-N 1 2 326.465 4.199 20 30 EIEDLO N#Cc1cccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000436169988 1040922746 /nfs/dbraw/zinc/92/27/46/1040922746.db2.gz AASMFFJHTYKBAH-UHFFFAOYSA-N 1 2 342.402 4.010 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483931067 1041070253 /nfs/dbraw/zinc/07/02/53/1041070253.db2.gz IVXFQNSLEKDETQ-OAQYLSRUSA-N 1 2 329.447 4.245 20 30 EIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483931067 1041070267 /nfs/dbraw/zinc/07/02/67/1041070267.db2.gz IVXFQNSLEKDETQ-OAQYLSRUSA-N 1 2 329.447 4.245 20 30 EIEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000538730855 1041504282 /nfs/dbraw/zinc/50/42/82/1041504282.db2.gz VXAIIFOBRIQQNB-UHFFFAOYSA-N 1 2 328.481 4.219 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000538730855 1041504292 /nfs/dbraw/zinc/50/42/92/1041504292.db2.gz VXAIIFOBRIQQNB-UHFFFAOYSA-N 1 2 328.481 4.219 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438473411 1042190579 /nfs/dbraw/zinc/19/05/79/1042190579.db2.gz DIWWASBBTVYUTC-NRFANRHFSA-N 1 2 347.437 4.384 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438473411 1042190584 /nfs/dbraw/zinc/19/05/84/1042190584.db2.gz DIWWASBBTVYUTC-NRFANRHFSA-N 1 2 347.437 4.384 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000492657402 1042713507 /nfs/dbraw/zinc/71/35/07/1042713507.db2.gz SJVCWHDUTZXJAB-QGZVFWFLSA-N 1 2 327.225 4.268 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000492657402 1042713513 /nfs/dbraw/zinc/71/35/13/1042713513.db2.gz SJVCWHDUTZXJAB-QGZVFWFLSA-N 1 2 327.225 4.268 20 30 EIEDLO CSc1ccc2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CC2 ZINC000843274280 1043160156 /nfs/dbraw/zinc/16/01/56/1043160156.db2.gz VQDXMMFTFDMMIY-MDWZMJQESA-N 1 2 344.505 4.139 20 30 EIEDLO C=CCCCS(=O)(=O)Nc1ccc([NH+]2CCCCCC2)cc1C ZINC000427791937 1043202620 /nfs/dbraw/zinc/20/26/20/1043202620.db2.gz GIFYOHASFBZWES-UHFFFAOYSA-N 1 2 336.501 4.083 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1cccs1 ZINC000019540407 1043500399 /nfs/dbraw/zinc/50/03/99/1043500399.db2.gz YOAYBCQUHMUTBL-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1cccs1 ZINC000019540407 1043500417 /nfs/dbraw/zinc/50/04/17/1043500417.db2.gz YOAYBCQUHMUTBL-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731159687 1043704168 /nfs/dbraw/zinc/70/41/68/1043704168.db2.gz VBXQUDIXTZTKCA-SREVYHEPSA-N 1 2 329.812 4.391 20 30 EIEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000494704924 1043883985 /nfs/dbraw/zinc/88/39/85/1043883985.db2.gz XHASLYPXWJLFEZ-SFHVURJKSA-N 1 2 344.842 4.146 20 30 EIEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000494704924 1043883989 /nfs/dbraw/zinc/88/39/89/1043883989.db2.gz XHASLYPXWJLFEZ-SFHVURJKSA-N 1 2 344.842 4.146 20 30 EIEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(Cl)s1 ZINC000499688489 1044162029 /nfs/dbraw/zinc/16/20/29/1044162029.db2.gz VLKNZCLHHOWXII-UHFFFAOYSA-N 1 2 339.844 4.278 20 30 EIEDLO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(Cl)s1 ZINC000499688489 1044162056 /nfs/dbraw/zinc/16/20/56/1044162056.db2.gz VLKNZCLHHOWXII-UHFFFAOYSA-N 1 2 339.844 4.278 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757882 1044444351 /nfs/dbraw/zinc/44/43/51/1044444351.db2.gz VOXUJXCRGKMSNE-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757882 1044444357 /nfs/dbraw/zinc/44/43/57/1044444357.db2.gz VOXUJXCRGKMSNE-KUHUBIRLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757878 1044444631 /nfs/dbraw/zinc/44/46/31/1044444631.db2.gz VOXUJXCRGKMSNE-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757878 1044444642 /nfs/dbraw/zinc/44/46/42/1044444642.db2.gz VOXUJXCRGKMSNE-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000494936997 1044534221 /nfs/dbraw/zinc/53/42/21/1044534221.db2.gz KJLITRNUCVZAJA-UYAOXDASSA-N 1 2 338.426 4.496 20 30 EIEDLO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000494936997 1044534230 /nfs/dbraw/zinc/53/42/30/1044534230.db2.gz KJLITRNUCVZAJA-UYAOXDASSA-N 1 2 338.426 4.496 20 30 EIEDLO c1cnc(C(CC2CCCCC2)=NNc2cc[nH+]c3ccccc23)nc1 ZINC000733901132 1044799819 /nfs/dbraw/zinc/79/98/19/1044799819.db2.gz DNTHHJCGFOTBGC-UHFFFAOYSA-N 1 2 345.450 4.233 20 30 EIEDLO C=CCCOC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741025974 1045257059 /nfs/dbraw/zinc/25/70/59/1045257059.db2.gz KNOMCLWULWPTJI-OAHLLOKOSA-N 1 2 329.362 4.208 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000611346105 1045287023 /nfs/dbraw/zinc/28/70/23/1045287023.db2.gz PELMIFWHXLIFSS-IBGZPJMESA-N 1 2 348.475 4.451 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000611346105 1045287032 /nfs/dbraw/zinc/28/70/32/1045287032.db2.gz PELMIFWHXLIFSS-IBGZPJMESA-N 1 2 348.475 4.451 20 30 EIEDLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611387749 1045294881 /nfs/dbraw/zinc/29/48/81/1045294881.db2.gz SHUVYEPKWCLEOA-AWEZNQCLSA-N 1 2 332.407 4.021 20 30 EIEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ncc(Br)s1 ZINC000272329370 1045412383 /nfs/dbraw/zinc/41/23/83/1045412383.db2.gz XPQZZKCKXVLWPK-JTQLQIEISA-N 1 2 348.269 4.117 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[NH+]2CC(C)(C)CC(C)(C)C2)c1=S ZINC000767512204 1045550605 /nfs/dbraw/zinc/55/06/05/1045550605.db2.gz HZDHNIYEGZDCLE-UHFFFAOYSA-N 1 2 334.533 4.193 20 30 EIEDLO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2OC)cc1 ZINC000130428313 1045658175 /nfs/dbraw/zinc/65/81/75/1045658175.db2.gz DUPQMJJKEWNGHD-NRFANRHFSA-N 1 2 348.402 4.048 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000455496459 1045685335 /nfs/dbraw/zinc/68/53/35/1045685335.db2.gz OWSNNGKQSUMFFX-UHFFFAOYSA-N 1 2 346.434 4.200 20 30 EIEDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459386172 1045701139 /nfs/dbraw/zinc/70/11/39/1045701139.db2.gz ATNBLLANPPLOEZ-CQSZACIVSA-N 1 2 339.395 4.104 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1Br ZINC000404185295 1045793995 /nfs/dbraw/zinc/79/39/95/1045793995.db2.gz BRZQCQARNVCGQO-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1Br ZINC000404185295 1045794016 /nfs/dbraw/zinc/79/40/16/1045794016.db2.gz BRZQCQARNVCGQO-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000769192175 1045885116 /nfs/dbraw/zinc/88/51/16/1045885116.db2.gz FPHZLJCDKSRYPB-UHFFFAOYSA-N 1 2 349.265 4.223 20 30 EIEDLO N#CCOc1ccc(C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792322748 1045890191 /nfs/dbraw/zinc/89/01/91/1045890191.db2.gz KDZBYEXGKNUHQH-UHFFFAOYSA-N 1 2 328.362 4.032 20 30 EIEDLO N#CCOc1ccc(C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792322748 1045890197 /nfs/dbraw/zinc/89/01/97/1045890197.db2.gz KDZBYEXGKNUHQH-UHFFFAOYSA-N 1 2 328.362 4.032 20 30 EIEDLO COc1ccc2oc(C(=O)/C=C/c3cccc4[nH+]ccn43)c(C)c2c1 ZINC000769610061 1046033000 /nfs/dbraw/zinc/03/30/00/1046033000.db2.gz NNQPLNDFAGSQRY-SOFGYWHQSA-N 1 2 332.359 4.294 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Br)s3)n2c1 ZINC000771836192 1046496464 /nfs/dbraw/zinc/49/64/64/1046496464.db2.gz AJAJFVXUUYAGJP-ONEGZZNKSA-N 1 2 347.237 4.363 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680551 1046668863 /nfs/dbraw/zinc/66/88/63/1046668863.db2.gz UFIUTCDSFBRYNW-HRAATJIYSA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680551 1046668867 /nfs/dbraw/zinc/66/88/67/1046668867.db2.gz UFIUTCDSFBRYNW-HRAATJIYSA-N 1 2 338.426 4.276 20 30 EIEDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459467438 1046704207 /nfs/dbraw/zinc/70/42/07/1046704207.db2.gz KIWJWMFQIDIMLP-AWEZNQCLSA-N 1 2 339.395 4.104 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000459472948 1046718408 /nfs/dbraw/zinc/71/84/08/1046718408.db2.gz XFZMSUYMHZJUJJ-RZQQEMMASA-N 1 2 349.434 4.088 20 30 EIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(OCCCC)cc2)o1)C1CC1 ZINC000536743725 1046741585 /nfs/dbraw/zinc/74/15/85/1046741585.db2.gz ORWFLEPMPJVCRA-UHFFFAOYSA-N 1 2 327.428 4.066 20 30 EIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(OCCCC)cc2)o1)C1CC1 ZINC000536743725 1046741596 /nfs/dbraw/zinc/74/15/96/1046741596.db2.gz ORWFLEPMPJVCRA-UHFFFAOYSA-N 1 2 327.428 4.066 20 30 EIEDLO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)C ZINC000917166837 1046796146 /nfs/dbraw/zinc/79/61/46/1046796146.db2.gz JVVYTYZFPRTBAJ-UHFFFAOYSA-N 1 2 329.425 4.053 20 30 EIEDLO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)C ZINC000917166837 1046796167 /nfs/dbraw/zinc/79/61/67/1046796167.db2.gz JVVYTYZFPRTBAJ-UHFFFAOYSA-N 1 2 329.425 4.053 20 30 EIEDLO C=CCCCCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000804922708 1046827759 /nfs/dbraw/zinc/82/77/59/1046827759.db2.gz CBQMZDQQSLQLBD-UHFFFAOYSA-N 1 2 344.503 4.008 20 30 EIEDLO Cc1cc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1N(C)C ZINC000796913932 1047175427 /nfs/dbraw/zinc/17/54/27/1047175427.db2.gz VCUVRHKEORJKIC-UHFFFAOYSA-N 1 2 334.467 4.014 20 30 EIEDLO Cc1cc(NC2CCN(c3ccc(C#N)cc3)CC2)ccc1[NH+](C)C ZINC000796913932 1047175432 /nfs/dbraw/zinc/17/54/32/1047175432.db2.gz VCUVRHKEORJKIC-UHFFFAOYSA-N 1 2 334.467 4.014 20 30 EIEDLO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)c(F)cc1O ZINC000806177623 1047200874 /nfs/dbraw/zinc/20/08/74/1047200874.db2.gz DUAYWNBIRWLGOC-SNVBAGLBSA-N 1 2 343.240 4.274 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000807591634 1047477590 /nfs/dbraw/zinc/47/75/90/1047477590.db2.gz HIXUOSJZERGHFO-GOSISDBHSA-N 1 2 332.492 4.146 20 30 EIEDLO C=C(Cl)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000763431459 1047684671 /nfs/dbraw/zinc/68/46/71/1047684671.db2.gz HIOUECMIRXDZLT-UHFFFAOYSA-N 1 2 343.677 4.415 20 30 EIEDLO N#CCC[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000130458917 1047711691 /nfs/dbraw/zinc/71/16/91/1047711691.db2.gz BORCBHDPLGBYIQ-QGZVFWFLSA-N 1 2 345.240 4.289 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](CCC)c1ccccc1)Cc1cccs1 ZINC000499065344 1048139893 /nfs/dbraw/zinc/13/98/93/1048139893.db2.gz ROJQUMRHTBSTQI-IBGZPJMESA-N 1 2 342.508 4.394 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](CCC)c1ccccc1)Cc1cccs1 ZINC000499065344 1048139909 /nfs/dbraw/zinc/13/99/09/1048139909.db2.gz ROJQUMRHTBSTQI-IBGZPJMESA-N 1 2 342.508 4.394 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000499065088 1048140058 /nfs/dbraw/zinc/14/00/58/1048140058.db2.gz PELICDCZOUXJTJ-ZDUSSCGKSA-N 1 2 340.920 4.227 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000499065088 1048140061 /nfs/dbraw/zinc/14/00/61/1048140061.db2.gz PELICDCZOUXJTJ-ZDUSSCGKSA-N 1 2 340.920 4.227 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000499065510 1048140150 /nfs/dbraw/zinc/14/01/50/1048140150.db2.gz SQFDTZFDEBSDKT-INIZCTEOSA-N 1 2 340.492 4.104 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000499065510 1048140162 /nfs/dbraw/zinc/14/01/62/1048140162.db2.gz SQFDTZFDEBSDKT-INIZCTEOSA-N 1 2 340.492 4.104 20 30 EIEDLO CC(=[NH+]Nc1cccc(Br)c1)c1cc(F)c(N)c(F)c1 ZINC000814786287 1048178475 /nfs/dbraw/zinc/17/84/75/1048178475.db2.gz CMZLEVZBIVJEPM-UHFFFAOYSA-N 1 2 340.171 4.146 20 30 EIEDLO C=CCC(F)(F)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000815025285 1048307660 /nfs/dbraw/zinc/30/76/60/1048307660.db2.gz SKBLTGHARUXXKZ-UHFFFAOYSA-N 1 2 331.366 4.036 20 30 EIEDLO C#Cc1ccc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)cc1 ZINC000809600474 1048434096 /nfs/dbraw/zinc/43/40/96/1048434096.db2.gz MMCOMEDAPRNQAA-UHFFFAOYSA-N 1 2 347.487 4.369 20 30 EIEDLO C#Cc1ccc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)cc1 ZINC000809600474 1048434115 /nfs/dbraw/zinc/43/41/15/1048434115.db2.gz MMCOMEDAPRNQAA-UHFFFAOYSA-N 1 2 347.487 4.369 20 30 EIEDLO C#CCCOc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000772937509 1048867647 /nfs/dbraw/zinc/86/76/47/1048867647.db2.gz NMVHEGXOSMXIPL-UHFFFAOYSA-N 1 2 335.451 4.086 20 30 EIEDLO N#CC1(c2cccc(-c3cccc(Cn4cc[nH+]c4)c3)c2)CCOCC1 ZINC000846781048 1048896370 /nfs/dbraw/zinc/89/63/70/1048896370.db2.gz ZAYRLXKABHBEPB-UHFFFAOYSA-N 1 2 343.430 4.170 20 30 EIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)CC1(C#N)CC1 ZINC000347482436 1049076440 /nfs/dbraw/zinc/07/64/40/1049076440.db2.gz PNCJUMJKPNEBAR-UHFFFAOYSA-N 1 2 348.475 4.336 20 30 EIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)CC1(C#N)CC1 ZINC000347482436 1049076454 /nfs/dbraw/zinc/07/64/54/1049076454.db2.gz PNCJUMJKPNEBAR-UHFFFAOYSA-N 1 2 348.475 4.336 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(N(CC)CC)s1)c1ccc(Cl)cc1 ZINC000811516896 1049102537 /nfs/dbraw/zinc/10/25/37/1049102537.db2.gz XIVNOZIJOWWSGJ-INIZCTEOSA-N 1 2 333.888 4.107 20 30 EIEDLO C=CCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000078416784 1049209829 /nfs/dbraw/zinc/20/98/29/1049209829.db2.gz FEAWSTONYGWAKW-UHFFFAOYSA-N 1 2 345.446 4.181 20 30 EIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819033010 1049245448 /nfs/dbraw/zinc/24/54/48/1049245448.db2.gz FPIYKAVNXSDMCS-HTAPYJJXSA-N 1 2 345.446 4.134 20 30 EIEDLO CC(C)c1nc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000812243742 1049399274 /nfs/dbraw/zinc/39/92/74/1049399274.db2.gz TYLJAYCWVCXYLX-ARJAWSKDSA-N 1 2 329.450 4.410 20 30 EIEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000610001686 1049468604 /nfs/dbraw/zinc/46/86/04/1049468604.db2.gz JTGSTZFESVZISK-LJQANCHMSA-N 1 2 341.405 4.110 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccc2ccccc2c1 ZINC000820659416 1049533427 /nfs/dbraw/zinc/53/34/27/1049533427.db2.gz ZGHVHGXTQUAIPO-FQEVSTJZSA-N 1 2 346.430 4.173 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 ZINC000812792442 1049569062 /nfs/dbraw/zinc/56/90/62/1049569062.db2.gz ACAJPCXBLBETSF-INIZCTEOSA-N 1 2 325.280 4.448 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000812794227 1049591181 /nfs/dbraw/zinc/59/11/81/1049591181.db2.gz VSNHHRUZBOKQST-IBGZPJMESA-N 1 2 339.801 4.129 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc(Cl)c(N)c(Cl)c3)n2c1 ZINC000773163712 1049623321 /nfs/dbraw/zinc/62/33/21/1049623321.db2.gz ZATWMKDCOWPHPZ-ARJAWSKDSA-N 1 2 346.217 4.428 20 30 EIEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090301 1049848980 /nfs/dbraw/zinc/84/89/80/1049848980.db2.gz OIUZPTDIIMTNOB-LJCCNALRSA-N 1 2 349.519 4.225 20 30 EIEDLO CCCCCCC[C@H](CC)[N@@H+]1CCn2cnc(C(=O)OCC)c2C1 ZINC001172355899 1049894091 /nfs/dbraw/zinc/89/40/91/1049894091.db2.gz FFDBWRJGORTEQZ-INIZCTEOSA-N 1 2 335.492 4.015 20 30 EIEDLO CCCCCCC[C@H](CC)[N@H+]1CCn2cnc(C(=O)OCC)c2C1 ZINC001172355899 1049894097 /nfs/dbraw/zinc/89/40/97/1049894097.db2.gz FFDBWRJGORTEQZ-INIZCTEOSA-N 1 2 335.492 4.015 20 30 EIEDLO C[C@H](CCCC#N)[N@@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001172498903 1049922798 /nfs/dbraw/zinc/92/27/98/1049922798.db2.gz SQEUXYKKOODOJG-OAHLLOKOSA-N 1 2 340.446 4.322 20 30 EIEDLO C[C@H](CCCC#N)[N@H+]1CCn2cc(-c3ccc(F)cc3)nc2C1(C)C ZINC001172498903 1049922799 /nfs/dbraw/zinc/92/27/99/1049922799.db2.gz SQEUXYKKOODOJG-OAHLLOKOSA-N 1 2 340.446 4.322 20 30 EIEDLO CCCCCCC[C@@H](CCC)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001172507908 1049925491 /nfs/dbraw/zinc/92/54/91/1049925491.db2.gz DBSNGCAOALEENK-MSOLQXFVSA-N 1 2 337.508 4.018 20 30 EIEDLO N#CC1CC[NH+](Cc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC001236709869 1050135545 /nfs/dbraw/zinc/13/55/45/1050135545.db2.gz ATVYCFFDDJYHQW-UHFFFAOYSA-N 1 2 347.178 4.203 20 30 EIEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(c(Br)ccc2F)C1=O ZINC000901491135 1050139716 /nfs/dbraw/zinc/13/97/16/1050139716.db2.gz RXCARYYRBCOIFW-BJMVGYQFSA-N 1 2 349.203 4.188 20 30 EIEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699323 1050260569 /nfs/dbraw/zinc/26/05/69/1050260569.db2.gz ZRUFRZNPXKSPOV-UHFFFAOYSA-N 1 2 326.762 4.339 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+][C@](C)(C#N)C(C)C)CC2)cc1 ZINC001173783089 1050568268 /nfs/dbraw/zinc/56/82/68/1050568268.db2.gz RYRADNQPYKVJQZ-OUNSHVDWSA-N 1 2 328.456 4.166 20 30 EIEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC001179775642 1050767414 /nfs/dbraw/zinc/76/74/14/1050767414.db2.gz AUGMRMHYXKBMSD-UHFFFAOYSA-N 1 2 342.874 4.234 20 30 EIEDLO C[C@@H]1CCc2nc(C[NH2+][C@@H](CCC#N)c3ccccc3)sc2C1 ZINC000153402182 1051034508 /nfs/dbraw/zinc/03/45/08/1051034508.db2.gz NLBPJTKDLPVGPS-ZBFHGGJFSA-N 1 2 325.481 4.403 20 30 EIEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC001190846118 1051289761 /nfs/dbraw/zinc/28/97/61/1051289761.db2.gz IAWNXLGXHURYTM-UHFFFAOYSA-N 1 2 336.435 4.378 20 30 EIEDLO C=CCC[C@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001181827685 1051323201 /nfs/dbraw/zinc/32/32/01/1051323201.db2.gz NOFLIXLKEPXBPU-CJNGLKHVSA-N 1 2 343.389 4.296 20 30 EIEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000183827794 1051481035 /nfs/dbraw/zinc/48/10/35/1051481035.db2.gz UHFROMOHAOBDKF-GFCCVEGCSA-N 1 2 345.786 4.290 20 30 EIEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)c(C)cc1OC ZINC001250083397 1051679350 /nfs/dbraw/zinc/67/93/50/1051679350.db2.gz FGBRXKDKMWMBHU-UHFFFAOYSA-N 1 2 339.277 4.282 20 30 EIEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)c(C)cc1OC ZINC001250083397 1051679355 /nfs/dbraw/zinc/67/93/55/1051679355.db2.gz FGBRXKDKMWMBHU-UHFFFAOYSA-N 1 2 339.277 4.282 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000072556506 1051828095 /nfs/dbraw/zinc/82/80/95/1051828095.db2.gz XRARXFBWVZZDCA-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001192950117 1051834847 /nfs/dbraw/zinc/83/48/47/1051834847.db2.gz BERJUISZZQRBIQ-KRWDZBQOSA-N 1 2 346.519 4.099 20 30 EIEDLO N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1F ZINC000774680004 1051894378 /nfs/dbraw/zinc/89/43/78/1051894378.db2.gz OUYAHWSHVIWPDV-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1F ZINC000774680004 1051894382 /nfs/dbraw/zinc/89/43/82/1051894382.db2.gz OUYAHWSHVIWPDV-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586942 1052120339 /nfs/dbraw/zinc/12/03/39/1052120339.db2.gz GRNUSOAANMKSOM-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586942 1052120345 /nfs/dbraw/zinc/12/03/45/1052120345.db2.gz GRNUSOAANMKSOM-UXHICEINSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1cccc(Br)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969054 1052136331 /nfs/dbraw/zinc/13/63/31/1052136331.db2.gz VUGBBEBYAQJHRS-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(OC(F)(F)F)c1 ZINC001176750722 1052182212 /nfs/dbraw/zinc/18/22/12/1052182212.db2.gz JWAXMVMXLPXLKO-UHFFFAOYSA-N 1 2 348.328 4.196 20 30 EIEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)c(Br)c3F)ccc21 ZINC001185535533 1052264691 /nfs/dbraw/zinc/26/46/91/1052264691.db2.gz RNQBQAGWNBYAGR-UHFFFAOYSA-N 1 2 345.175 4.090 20 30 EIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(Br)ncc1F ZINC000850551749 1053306171 /nfs/dbraw/zinc/30/61/71/1053306171.db2.gz VEPPMKDXNIYTDI-NSHDSACASA-N 1 2 340.240 4.108 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794701871 1053321793 /nfs/dbraw/zinc/32/17/93/1053321793.db2.gz XUGNZPPQLIRKMH-BQYQJAHWSA-N 1 2 349.525 4.163 20 30 EIEDLO Cc1cc2cc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)oc2cc1C ZINC000794702704 1053324184 /nfs/dbraw/zinc/32/41/84/1053324184.db2.gz RPGFJZBGBFAQRH-WAYWQWQTSA-N 1 2 340.448 4.464 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)s1 ZINC000794704204 1053325146 /nfs/dbraw/zinc/32/51/46/1053325146.db2.gz ZHPWIMJYMDPFEV-FPLPWBNLSA-N 1 2 349.459 4.163 20 30 EIEDLO CC(C)Cc1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794725216 1053341138 /nfs/dbraw/zinc/34/11/38/1053341138.db2.gz VXIWFFURJGWZIM-CMDGGOBGSA-N 1 2 328.481 4.299 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000764919206 1053373709 /nfs/dbraw/zinc/37/37/09/1053373709.db2.gz GYZZKIPTHVIVOX-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000764919206 1053373727 /nfs/dbraw/zinc/37/37/27/1053373727.db2.gz GYZZKIPTHVIVOX-UHFFFAOYSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000764986515 1053401843 /nfs/dbraw/zinc/40/18/43/1053401843.db2.gz FYBBEEGHBDIZDA-CYBMUJFWSA-N 1 2 336.530 4.264 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000764986515 1053401858 /nfs/dbraw/zinc/40/18/58/1053401858.db2.gz FYBBEEGHBDIZDA-CYBMUJFWSA-N 1 2 336.530 4.264 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCSC2CCCCC2)C1 ZINC000852333526 1053572489 /nfs/dbraw/zinc/57/24/89/1053572489.db2.gz OIVFSZFTARIFSM-LJQANCHMSA-N 1 2 329.513 4.005 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000852333526 1053572499 /nfs/dbraw/zinc/57/24/99/1053572499.db2.gz OIVFSZFTARIFSM-LJQANCHMSA-N 1 2 329.513 4.005 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1cccc(C#N)c1O ZINC000866283517 1053676051 /nfs/dbraw/zinc/67/60/51/1053676051.db2.gz WAKHXDYFIYFNSK-JKSUJKDBSA-N 1 2 335.451 4.276 20 30 EIEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(OC)c1OC ZINC000866509067 1053759501 /nfs/dbraw/zinc/75/95/01/1053759501.db2.gz TVNUWGBYDIVGKJ-GUYCJALGSA-N 1 2 340.423 4.083 20 30 EIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872237961 1054424849 /nfs/dbraw/zinc/42/48/49/1054424849.db2.gz CBHAIYHHQBRJET-BEFAXECRSA-N 1 2 335.455 4.217 20 30 EIEDLO C=CC[C@@H]1N(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1(C)C ZINC001202395476 1055170452 /nfs/dbraw/zinc/17/04/52/1055170452.db2.gz KQQRRCHQXUQJSA-INIZCTEOSA-N 1 2 330.476 4.055 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878687745 1055374510 /nfs/dbraw/zinc/37/45/10/1055374510.db2.gz SRMMUOOPKCHRRH-OALUTQOASA-N 1 2 337.467 4.256 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878687744 1055375573 /nfs/dbraw/zinc/37/55/73/1055375573.db2.gz SRMMUOOPKCHRRH-MOPGFXCFSA-N 1 2 337.467 4.256 20 30 EIEDLO N#Cc1ccc(Cl)cc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301280838 1055915467 /nfs/dbraw/zinc/91/54/67/1055915467.db2.gz OBVZLLXZSOPVDD-UHFFFAOYSA-N 1 2 326.762 4.149 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(OC(F)F)c3)c[nH+]c12 ZINC000741471881 1058225728 /nfs/dbraw/zinc/22/57/28/1058225728.db2.gz QHCPYPOFTXKRKS-FPLPWBNLSA-N 1 2 328.318 4.140 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(-n2cccn2)cc1 ZINC000737442971 1058334051 /nfs/dbraw/zinc/33/40/51/1058334051.db2.gz DHNYEUJUCLIGPS-FPLPWBNLSA-N 1 2 348.793 4.070 20 30 EIEDLO Cn1cc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c2ccccc21 ZINC000737444070 1058342590 /nfs/dbraw/zinc/34/25/90/1058342590.db2.gz NVFVKOZURLPELK-BQYQJAHWSA-N 1 2 335.794 4.376 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742155547 1058540257 /nfs/dbraw/zinc/54/02/57/1058540257.db2.gz BMXDKHRWUFSVOJ-GOSISDBHSA-N 1 2 342.512 4.402 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)c1=S ZINC000742155547 1058540278 /nfs/dbraw/zinc/54/02/78/1058540278.db2.gz BMXDKHRWUFSVOJ-GOSISDBHSA-N 1 2 342.512 4.402 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(-c2ccncc2)cc1 ZINC000745990653 1059955410 /nfs/dbraw/zinc/95/54/10/1059955410.db2.gz WDQKQMHAQFHNCW-CMDGGOBGSA-N 1 2 325.371 4.292 20 30 EIEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001169188303 1060678445 /nfs/dbraw/zinc/67/84/45/1060678445.db2.gz RWGMFIVIDZYDSS-CYBMUJFWSA-N 1 2 346.352 4.360 20 30 EIEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001169188303 1060678454 /nfs/dbraw/zinc/67/84/54/1060678454.db2.gz RWGMFIVIDZYDSS-CYBMUJFWSA-N 1 2 346.352 4.360 20 30 EIEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000767182211 1061135475 /nfs/dbraw/zinc/13/54/75/1061135475.db2.gz BFJWPDOEHYITGG-UHFFFAOYSA-N 1 2 331.423 4.049 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000237604471 1032233680 /nfs/dbraw/zinc/23/36/80/1032233680.db2.gz WEWYAQJASKAOCN-BEFAXECRSA-N 1 2 349.459 4.313 20 30 EIEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(F)(F)CC2)cc1OC ZINC000529558306 1032454120 /nfs/dbraw/zinc/45/41/20/1032454120.db2.gz RZYNUCJRAFEWBA-UHFFFAOYSA-N 1 2 331.790 4.145 20 30 EIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cnn(-c2ccccc2)c1 ZINC000783705668 1032511658 /nfs/dbraw/zinc/51/16/58/1032511658.db2.gz AZIIDLMYSCYIFU-SREVYHEPSA-N 1 2 346.415 4.016 20 30 EIEDLO C[N@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)c1F ZINC000512450118 1032810778 /nfs/dbraw/zinc/81/07/78/1032810778.db2.gz ONZGADPPRJHKFB-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)c1F ZINC000512450118 1032810787 /nfs/dbraw/zinc/81/07/87/1032810787.db2.gz ONZGADPPRJHKFB-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccc(F)c(F)c1 ZINC000187776694 1019780057 /nfs/dbraw/zinc/78/00/57/1019780057.db2.gz XLTFUMMLCUKEMB-OAHLLOKOSA-N 1 2 325.790 4.067 20 30 EIEDLO C[N@H+](Cc1csc(Br)c1)Cc1cccc(C#N)c1F ZINC000219518594 1019898604 /nfs/dbraw/zinc/89/86/04/1019898604.db2.gz KLQPRTOGKFHCHT-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1csc(Br)c1)Cc1cccc(C#N)c1F ZINC000219518594 1019898605 /nfs/dbraw/zinc/89/86/05/1019898605.db2.gz KLQPRTOGKFHCHT-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1cccc(C#N)c1 ZINC000610344871 1021342134 /nfs/dbraw/zinc/34/21/34/1021342134.db2.gz JSPPFCWYTDIWHP-OAHLLOKOSA-N 1 2 349.459 4.445 20 30 EIEDLO N#Cc1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000582172085 1021930422 /nfs/dbraw/zinc/93/04/22/1021930422.db2.gz LNGUYOLZQMWZMM-UHFFFAOYSA-N 1 2 329.403 4.337 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001167705395 1022847198 /nfs/dbraw/zinc/84/71/98/1022847198.db2.gz JKPJMODPFAFCOR-GHTZIAJQSA-N 1 2 347.418 4.368 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001167705395 1022847205 /nfs/dbraw/zinc/84/72/05/1022847205.db2.gz JKPJMODPFAFCOR-GHTZIAJQSA-N 1 2 347.418 4.368 20 30 EIEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000660198985 1023280914 /nfs/dbraw/zinc/28/09/14/1023280914.db2.gz BGXQXKISHZHNKQ-GFCCVEGCSA-N 1 2 327.375 4.354 20 30 EIEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000418138016 1023556739 /nfs/dbraw/zinc/55/67/39/1023556739.db2.gz FSBDTXORXHSEMH-UHFFFAOYSA-N 1 2 347.178 4.251 20 30 EIEDLO Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc[nH+]1 ZINC000500312299 1023686853 /nfs/dbraw/zinc/68/68/53/1023686853.db2.gz QEMCEXRZERKVLI-UHFFFAOYSA-N 1 2 345.427 4.087 20 30 EIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)s3)n2)cc1 ZINC000276733799 1023920020 /nfs/dbraw/zinc/92/00/20/1023920020.db2.gz HSUWQOOCNRGUNZ-LBPRGKRZSA-N 1 2 338.436 4.083 20 30 EIEDLO C[N@H+](Cc1csc(Br)c1)Cc1csc(C#N)c1 ZINC000891753425 1023938272 /nfs/dbraw/zinc/93/82/72/1023938272.db2.gz XLTBTIQWUUWUSW-UHFFFAOYSA-N 1 2 327.272 4.076 20 30 EIEDLO C[N@@H+](Cc1csc(Br)c1)Cc1csc(C#N)c1 ZINC000891753425 1023938280 /nfs/dbraw/zinc/93/82/80/1023938280.db2.gz XLTBTIQWUUWUSW-UHFFFAOYSA-N 1 2 327.272 4.076 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000343906946 1025247126 /nfs/dbraw/zinc/24/71/26/1025247126.db2.gz JQEUEDGHKZWVQA-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000344128932 1026042004 /nfs/dbraw/zinc/04/20/04/1026042004.db2.gz USEJWFSSIQHWLP-UHFFFAOYSA-N 1 2 347.462 4.010 20 30 EIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000344128932 1026042009 /nfs/dbraw/zinc/04/20/09/1026042009.db2.gz USEJWFSSIQHWLP-UHFFFAOYSA-N 1 2 347.462 4.010 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccn1 ZINC000182086715 1026211852 /nfs/dbraw/zinc/21/18/52/1026211852.db2.gz IKJZCBUPURHURL-ZHRRBRCNSA-N 1 2 343.430 4.402 20 30 EIEDLO C=C[C@H](CC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000277603420 1026640996 /nfs/dbraw/zinc/64/09/96/1026640996.db2.gz QEIHUDQIISYXDH-GOSISDBHSA-N 1 2 339.483 4.044 20 30 EIEDLO COCC1(C#N)CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000342843488 1027251956 /nfs/dbraw/zinc/25/19/56/1027251956.db2.gz RXAKZUGPWMJKBJ-UHFFFAOYSA-N 1 2 346.780 4.111 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1cccs1 ZINC000441249448 1027382265 /nfs/dbraw/zinc/38/22/65/1027382265.db2.gz OPVFGYSAIZQHES-UHFFFAOYSA-N 1 2 334.510 4.362 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1cccs1 ZINC000441249448 1027382285 /nfs/dbraw/zinc/38/22/85/1027382285.db2.gz OPVFGYSAIZQHES-UHFFFAOYSA-N 1 2 334.510 4.362 20 30 EIEDLO C=CCC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000302862891 1027418330 /nfs/dbraw/zinc/41/83/30/1027418330.db2.gz WIQKKOJCEXTAMK-QGZVFWFLSA-N 1 2 340.496 4.149 20 30 EIEDLO C=CCC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000302862891 1027418338 /nfs/dbraw/zinc/41/83/38/1027418338.db2.gz WIQKKOJCEXTAMK-QGZVFWFLSA-N 1 2 340.496 4.149 20 30 EIEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727941282 1027915432 /nfs/dbraw/zinc/91/54/32/1027915432.db2.gz XJKFFUKFUDBNGO-DLBZAZTESA-N 1 2 334.508 4.295 20 30 EIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444698313 1027985476 /nfs/dbraw/zinc/98/54/76/1027985476.db2.gz BTOKRXTZLXOODN-MGPUTAFESA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444698313 1027985499 /nfs/dbraw/zinc/98/54/99/1027985499.db2.gz BTOKRXTZLXOODN-MGPUTAFESA-N 1 2 340.854 4.368 20 30 EIEDLO C=CCCCN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278587750 1029560841 /nfs/dbraw/zinc/56/08/41/1029560841.db2.gz KSCYDZMQMPQQCT-UHFFFAOYSA-N 1 2 338.455 4.316 20 30 EIEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1csc(Br)c1 ZINC000446768700 1029566584 /nfs/dbraw/zinc/56/65/84/1029566584.db2.gz ZJOIBGXWJOGUHK-UHFFFAOYSA-N 1 2 338.245 4.133 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1csc(Br)c1 ZINC000446768700 1029566593 /nfs/dbraw/zinc/56/65/93/1029566593.db2.gz ZJOIBGXWJOGUHK-UHFFFAOYSA-N 1 2 338.245 4.133 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(Br)cs1 ZINC000588601382 1029843642 /nfs/dbraw/zinc/84/36/42/1029843642.db2.gz XRPKSFQFBKRSDE-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO C=CCOc1c(Br)cc(C[NH+]2[C@H](C)C[C@H]2C)cc1OC ZINC000525996761 1030157597 /nfs/dbraw/zinc/15/75/97/1030157597.db2.gz GCVODGLPAOFBBJ-VXGBXAGGSA-N 1 2 340.261 4.005 20 30 EIEDLO C=CCC1(C(=O)N(C)CCCc2[nH+]ccn2CCC)CCCCC1 ZINC000451192429 1030316167 /nfs/dbraw/zinc/31/61/67/1030316167.db2.gz VXUZVWXOOVPYKH-UHFFFAOYSA-N 1 2 331.504 4.211 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCC1 ZINC000191970935 1030670743 /nfs/dbraw/zinc/67/07/43/1030670743.db2.gz VLDOGKNEYSGYMQ-AWEZNQCLSA-N 1 2 333.501 4.060 20 30 EIEDLO C=CCC1(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCC1 ZINC000191970935 1030670750 /nfs/dbraw/zinc/67/07/50/1030670750.db2.gz VLDOGKNEYSGYMQ-AWEZNQCLSA-N 1 2 333.501 4.060 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448273271 1030689341 /nfs/dbraw/zinc/68/93/41/1030689341.db2.gz XWPKQPQPNXKXMT-NRSPTQNISA-N 1 2 326.484 4.183 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448273271 1030689352 /nfs/dbraw/zinc/68/93/52/1030689352.db2.gz XWPKQPQPNXKXMT-NRSPTQNISA-N 1 2 326.484 4.183 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161426 1031073349 /nfs/dbraw/zinc/07/33/49/1031073349.db2.gz BQMFRSOBBNCXGM-DLBZAZTESA-N 1 2 333.273 4.452 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161426 1031073373 /nfs/dbraw/zinc/07/33/73/1031073373.db2.gz BQMFRSOBBNCXGM-DLBZAZTESA-N 1 2 333.273 4.452 20 30 EIEDLO C=CCC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000123079470 1031284159 /nfs/dbraw/zinc/28/41/59/1031284159.db2.gz VUDTZXGAEBMEHE-NRFANRHFSA-N 1 2 345.446 4.369 20 30 EIEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCc1ccc(F)cc1 ZINC000509767138 1033404787 /nfs/dbraw/zinc/40/47/87/1033404787.db2.gz SCBVWPSDQCMCJI-OAHLLOKOSA-N 1 2 342.414 4.005 20 30 EIEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCc1ccc(F)cc1 ZINC000509767138 1033404820 /nfs/dbraw/zinc/40/48/20/1033404820.db2.gz SCBVWPSDQCMCJI-OAHLLOKOSA-N 1 2 342.414 4.005 20 30 EIEDLO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512610801 1033492062 /nfs/dbraw/zinc/49/20/62/1033492062.db2.gz FBHRKMQAFCZLDG-ZIAGYGMSSA-N 1 2 336.414 4.479 20 30 EIEDLO Cc1nc(C2([NH2+]Cc3ccc(C(C)(C)C#N)cc3)CCCCC2)no1 ZINC000614170673 1033578605 /nfs/dbraw/zinc/57/86/05/1033578605.db2.gz GACWSQMLYGJZMK-UHFFFAOYSA-N 1 2 338.455 4.128 20 30 EIEDLO COc1ccc([C@@H]([NH2+]CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000411482519 1033934588 /nfs/dbraw/zinc/93/45/88/1033934588.db2.gz CIUFGJHLYNBPGV-KRWDZBQOSA-N 1 2 334.341 4.307 20 30 EIEDLO CC(C)c1cnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000183006971 1035087456 /nfs/dbraw/zinc/08/74/56/1035087456.db2.gz ZBCLYSMZWJXQHK-UHFFFAOYSA-N 1 2 341.480 4.182 20 30 EIEDLO C=CCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000072564076 1035389383 /nfs/dbraw/zinc/38/93/83/1035389383.db2.gz YBSZUMVZMORCID-HNNXBMFYSA-N 1 2 328.485 4.092 20 30 EIEDLO N#CC1(C[N@@H+](Cc2ccccc2Br)C2CCCC2)CC1 ZINC000501526711 1035458209 /nfs/dbraw/zinc/45/82/09/1035458209.db2.gz CWNVGLPLDWNEPB-UHFFFAOYSA-N 1 2 333.273 4.497 20 30 EIEDLO N#CC1(C[N@H+](Cc2ccccc2Br)C2CCCC2)CC1 ZINC000501526711 1035458212 /nfs/dbraw/zinc/45/82/12/1035458212.db2.gz CWNVGLPLDWNEPB-UHFFFAOYSA-N 1 2 333.273 4.497 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674480 1035767479 /nfs/dbraw/zinc/76/74/79/1035767479.db2.gz JRNKDUSNWWXWRF-DNVCBOLYSA-N 1 2 349.434 4.096 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674480 1035767505 /nfs/dbraw/zinc/76/75/05/1035767505.db2.gz JRNKDUSNWWXWRF-DNVCBOLYSA-N 1 2 349.434 4.096 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1F ZINC000595747436 1035780742 /nfs/dbraw/zinc/78/07/42/1035780742.db2.gz JCTDPNRZYQJDJP-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cc1F ZINC000595747436 1035780764 /nfs/dbraw/zinc/78/07/64/1035780764.db2.gz JCTDPNRZYQJDJP-SFHVURJKSA-N 1 2 328.362 4.182 20 30 EIEDLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](CC)[C@H](C)C#N ZINC000595818214 1035794119 /nfs/dbraw/zinc/79/41/19/1035794119.db2.gz SVUDYRMKUCWJOQ-CQSZACIVSA-N 1 2 349.906 4.417 20 30 EIEDLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](CC)[C@H](C)C#N ZINC000595818214 1035794136 /nfs/dbraw/zinc/79/41/36/1035794136.db2.gz SVUDYRMKUCWJOQ-CQSZACIVSA-N 1 2 349.906 4.417 20 30 EIEDLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130390 1036111320 /nfs/dbraw/zinc/11/13/20/1036111320.db2.gz MVKRUHVGHSREAR-UHFFFAOYSA-N 1 2 342.446 4.264 20 30 EIEDLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130390 1036111355 /nfs/dbraw/zinc/11/13/55/1036111355.db2.gz MVKRUHVGHSREAR-UHFFFAOYSA-N 1 2 342.446 4.264 20 30 EIEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522528 1036288694 /nfs/dbraw/zinc/28/86/94/1036288694.db2.gz LBYHKDMUYJCZFC-CQSZACIVSA-N 1 2 336.439 4.089 20 30 EIEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522528 1036288708 /nfs/dbraw/zinc/28/87/08/1036288708.db2.gz LBYHKDMUYJCZFC-CQSZACIVSA-N 1 2 336.439 4.089 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438572 1036447598 /nfs/dbraw/zinc/44/75/98/1036447598.db2.gz FTYPSTOOXVDFOL-IBGZPJMESA-N 1 2 337.471 4.208 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438572 1036447607 /nfs/dbraw/zinc/44/76/07/1036447607.db2.gz FTYPSTOOXVDFOL-IBGZPJMESA-N 1 2 337.471 4.208 20 30 EIEDLO CC(C)c1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602899196 1036667091 /nfs/dbraw/zinc/66/70/91/1036667091.db2.gz SFQLHKMNRCAWNK-UHFFFAOYSA-N 1 2 340.496 4.215 20 30 EIEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815723 1036735344 /nfs/dbraw/zinc/73/53/44/1036735344.db2.gz MKNFPVRIGSPHFP-QRWLVFNGSA-N 1 2 329.488 4.033 20 30 EIEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815723 1036735368 /nfs/dbraw/zinc/73/53/68/1036735368.db2.gz MKNFPVRIGSPHFP-QRWLVFNGSA-N 1 2 329.488 4.033 20 30 EIEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685524 1037132233 /nfs/dbraw/zinc/13/22/33/1037132233.db2.gz FHZHPPUNWIBWMB-UHFFFAOYSA-N 1 2 349.459 4.336 20 30 EIEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685524 1037132242 /nfs/dbraw/zinc/13/22/42/1037132242.db2.gz FHZHPPUNWIBWMB-UHFFFAOYSA-N 1 2 349.459 4.336 20 30 EIEDLO Fc1ccc2c(c1)CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001168400257 1037301918 /nfs/dbraw/zinc/30/19/18/1037301918.db2.gz KQYKCGMQIIKWGK-LLVKDONJSA-N 1 2 347.249 4.106 20 30 EIEDLO Clc1ccc(C#CC[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000539144889 1038861698 /nfs/dbraw/zinc/86/16/98/1038861698.db2.gz YHVWIBWKBXCFCJ-UHFFFAOYSA-N 1 2 338.863 4.401 20 30 EIEDLO C=CCCOCCCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000478011495 1039320670 /nfs/dbraw/zinc/32/06/70/1039320670.db2.gz VFGXHGNMOYJZAR-UHFFFAOYSA-N 1 2 327.428 4.087 20 30 EIEDLO C=CCC[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccco1 ZINC000552265168 1039323639 /nfs/dbraw/zinc/32/36/39/1039323639.db2.gz MODBFFHZMGXLAM-JZXOWHBKSA-N 1 2 341.455 4.408 20 30 EIEDLO C=CCC[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccco1 ZINC000552265169 1039324828 /nfs/dbraw/zinc/32/48/28/1039324828.db2.gz MODBFFHZMGXLAM-NUJGCVRESA-N 1 2 341.455 4.408 20 30 EIEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000093091007 1039627609 /nfs/dbraw/zinc/62/76/09/1039627609.db2.gz IYJGYTRIPZSEHA-CQSZACIVSA-N 1 2 341.842 4.326 20 30 EIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000093091007 1039627620 /nfs/dbraw/zinc/62/76/20/1039627620.db2.gz IYJGYTRIPZSEHA-CQSZACIVSA-N 1 2 341.842 4.326 20 30 EIEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550940051 1039833160 /nfs/dbraw/zinc/83/31/60/1039833160.db2.gz VOHAAEWTTRZSCR-JQHSSLGASA-N 1 2 339.426 4.351 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(C(F)(F)F)s1 ZINC000435134069 1040093676 /nfs/dbraw/zinc/09/36/76/1040093676.db2.gz FRCTVVJYWNMIIB-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncc(C(F)(F)F)s1 ZINC000435134069 1040093693 /nfs/dbraw/zinc/09/36/93/1040093693.db2.gz FRCTVVJYWNMIIB-UHFFFAOYSA-N 1 2 326.387 4.393 20 30 EIEDLO C[C@@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000479515741 1040434748 /nfs/dbraw/zinc/43/47/48/1040434748.db2.gz SQCXUANLGGYRCA-BDJLRTHQSA-N 1 2 335.234 4.249 20 30 EIEDLO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)c(F)c1 ZINC000539608349 1040605187 /nfs/dbraw/zinc/60/51/87/1040605187.db2.gz FSROJDGLLIEOHQ-NSHDSACASA-N 1 2 327.384 4.265 20 30 EIEDLO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000484096199 1041116552 /nfs/dbraw/zinc/11/65/52/1041116552.db2.gz SRAGEAIMPYGIGH-HXUWFJFHSA-N 1 2 348.494 4.084 20 30 EIEDLO Cc1cc(-c2nnc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)o2)c(C)o1 ZINC000425537755 1041193466 /nfs/dbraw/zinc/19/34/66/1041193466.db2.gz RBBBYGQHWHDWFO-ZDUSSCGKSA-N 1 2 336.395 4.011 20 30 EIEDLO Cc1cc(-c2nnc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)o2)c(C)o1 ZINC000425537755 1041193497 /nfs/dbraw/zinc/19/34/97/1041193497.db2.gz RBBBYGQHWHDWFO-ZDUSSCGKSA-N 1 2 336.395 4.011 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000425544121 1041213776 /nfs/dbraw/zinc/21/37/76/1041213776.db2.gz DDBDPBRDWOYOBD-QZTJIDSGSA-N 1 2 347.245 4.173 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000425544121 1041213783 /nfs/dbraw/zinc/21/37/83/1041213783.db2.gz DDBDPBRDWOYOBD-QZTJIDSGSA-N 1 2 347.245 4.173 20 30 EIEDLO N#Cc1ccc(C[NH+]2CC(c3ccccc3F)C2)c(C(F)(F)F)c1 ZINC000463041452 1041266174 /nfs/dbraw/zinc/26/61/74/1041266174.db2.gz YJCBIWQLCARSGW-UHFFFAOYSA-N 1 2 334.316 4.316 20 30 EIEDLO C[C@H](C#N)C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 ZINC000538763964 1041536411 /nfs/dbraw/zinc/53/64/11/1041536411.db2.gz FHWBADSOIAODNM-LLVKDONJSA-N 1 2 337.250 4.393 20 30 EIEDLO C[C@H](C#N)C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 ZINC000538763964 1041536418 /nfs/dbraw/zinc/53/64/18/1041536418.db2.gz FHWBADSOIAODNM-LLVKDONJSA-N 1 2 337.250 4.393 20 30 EIEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OCCC(C)C ZINC000538763746 1041537033 /nfs/dbraw/zinc/53/70/33/1041537033.db2.gz TYGWESLQJUSOKN-MRXNPFEDSA-N 1 2 330.472 4.244 20 30 EIEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OCCC(C)C ZINC000538763746 1041537037 /nfs/dbraw/zinc/53/70/37/1041537037.db2.gz TYGWESLQJUSOKN-MRXNPFEDSA-N 1 2 330.472 4.244 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875605 1041791814 /nfs/dbraw/zinc/79/18/14/1041791814.db2.gz SCACLVHSSZQRER-KRWDZBQOSA-N 1 2 349.331 4.043 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875605 1041791816 /nfs/dbraw/zinc/79/18/16/1041791816.db2.gz SCACLVHSSZQRER-KRWDZBQOSA-N 1 2 349.331 4.043 20 30 EIEDLO Cc1nc2ccc(CNc3[nH+]cccc3OCCCC#N)cc2s1 ZINC000492311587 1042609129 /nfs/dbraw/zinc/60/91/29/1042609129.db2.gz JIHHDTGARJKQDV-UHFFFAOYSA-N 1 2 338.436 4.294 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449156 1042634148 /nfs/dbraw/zinc/63/41/48/1042634148.db2.gz IASLCFPHEGCALU-IFXJQAMLSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449156 1042634150 /nfs/dbraw/zinc/63/41/50/1042634150.db2.gz IASLCFPHEGCALU-IFXJQAMLSA-N 1 2 326.827 4.174 20 30 EIEDLO C=CCCC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456683 1042639517 /nfs/dbraw/zinc/63/95/17/1042639517.db2.gz ZEOFWZZTPLNLRB-DOMZBBRYSA-N 1 2 338.377 4.247 20 30 EIEDLO CC[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1O ZINC000925364243 1043136525 /nfs/dbraw/zinc/13/65/25/1043136525.db2.gz NTJLJNUXMHNCBX-KRWDZBQOSA-N 1 2 346.377 4.149 20 30 EIEDLO N#Cc1csc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c1 ZINC000347838583 1043173815 /nfs/dbraw/zinc/17/38/15/1043173815.db2.gz ULEGDKZCEBUKNG-UHFFFAOYSA-N 1 2 339.489 4.151 20 30 EIEDLO CC(=[NH+]Nc1ccc(C)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000727259446 1043176145 /nfs/dbraw/zinc/17/61/45/1043176145.db2.gz DYLZWRRWXIPWBP-UHFFFAOYSA-N 1 2 326.419 4.356 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000672553040 1043280120 /nfs/dbraw/zinc/28/01/20/1043280120.db2.gz NEAZDMOKOQOSSY-VIFPVBQESA-N 1 2 345.258 4.187 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000672553040 1043280130 /nfs/dbraw/zinc/28/01/30/1043280130.db2.gz NEAZDMOKOQOSSY-VIFPVBQESA-N 1 2 345.258 4.187 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727823819 1043317396 /nfs/dbraw/zinc/31/73/96/1043317396.db2.gz KXDBUZMKVJDTSO-QGZVFWFLSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727823819 1043317403 /nfs/dbraw/zinc/31/74/03/1043317403.db2.gz KXDBUZMKVJDTSO-QGZVFWFLSA-N 1 2 342.512 4.407 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429209464 1043338337 /nfs/dbraw/zinc/33/83/37/1043338337.db2.gz DOTUISAVVRNGFT-UHFFFAOYSA-N 1 2 329.806 4.125 20 30 EIEDLO C#CC[N@@H+](Cn1c2c(sc1=O)C[C@@H](CCC)CC2)C1CCCCC1 ZINC000728044879 1043352283 /nfs/dbraw/zinc/35/22/83/1043352283.db2.gz XQIDMZNLRZCZTF-INIZCTEOSA-N 1 2 346.540 4.040 20 30 EIEDLO C#CC[N@H+](Cn1c2c(sc1=O)C[C@@H](CCC)CC2)C1CCCCC1 ZINC000728044879 1043352289 /nfs/dbraw/zinc/35/22/89/1043352289.db2.gz XQIDMZNLRZCZTF-INIZCTEOSA-N 1 2 346.540 4.040 20 30 EIEDLO C#CC[N@@H+](Cn1c2c(sc1=O)C[C@H](CCC)CC2)C1CCCCC1 ZINC000728044880 1043354056 /nfs/dbraw/zinc/35/40/56/1043354056.db2.gz XQIDMZNLRZCZTF-MRXNPFEDSA-N 1 2 346.540 4.040 20 30 EIEDLO C#CC[N@H+](Cn1c2c(sc1=O)C[C@H](CCC)CC2)C1CCCCC1 ZINC000728044880 1043354063 /nfs/dbraw/zinc/35/40/63/1043354063.db2.gz XQIDMZNLRZCZTF-MRXNPFEDSA-N 1 2 346.540 4.040 20 30 EIEDLO C=CC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000609193582 1043446492 /nfs/dbraw/zinc/44/64/92/1043446492.db2.gz NUKFDTQORKIOSY-OAQYLSRUSA-N 1 2 339.913 4.197 20 30 EIEDLO C=CC[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000609193582 1043446499 /nfs/dbraw/zinc/44/64/99/1043446499.db2.gz NUKFDTQORKIOSY-OAQYLSRUSA-N 1 2 339.913 4.197 20 30 EIEDLO CCCC(=NNc1cc[nH+]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000730147903 1043455758 /nfs/dbraw/zinc/45/57/58/1043455758.db2.gz KTSWUEHMEUHTHK-UHFFFAOYSA-N 1 2 334.379 4.181 20 30 EIEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnc(-c2ccccc2)s1 ZINC000730147914 1043456573 /nfs/dbraw/zinc/45/65/73/1043456573.db2.gz KUZIHUURUQYJEQ-UHFFFAOYSA-N 1 2 330.416 4.226 20 30 EIEDLO FC(F)(F)CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000730148599 1043456605 /nfs/dbraw/zinc/45/66/05/1043456605.db2.gz YPVLFWUDKZRPOY-UHFFFAOYSA-N 1 2 329.325 4.425 20 30 EIEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000929822506 1043498959 /nfs/dbraw/zinc/49/89/59/1043498959.db2.gz ONQQOTQWXZQEDB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000929822506 1043498969 /nfs/dbraw/zinc/49/89/69/1043498969.db2.gz ONQQOTQWXZQEDB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2cccs2)n1 ZINC000731661906 1043812256 /nfs/dbraw/zinc/81/22/56/1043812256.db2.gz WMJNOGDNGIOKPI-UHFFFAOYSA-N 1 2 334.448 4.129 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2cccs2)n1 ZINC000731661906 1043812260 /nfs/dbraw/zinc/81/22/60/1043812260.db2.gz WMJNOGDNGIOKPI-UHFFFAOYSA-N 1 2 334.448 4.129 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000732183939 1043882326 /nfs/dbraw/zinc/88/23/26/1043882326.db2.gz VWLWZTWVLJTBAL-AWEZNQCLSA-N 1 2 348.491 4.342 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000732183939 1043882329 /nfs/dbraw/zinc/88/23/29/1043882329.db2.gz VWLWZTWVLJTBAL-AWEZNQCLSA-N 1 2 348.491 4.342 20 30 EIEDLO FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](CC#Cc2ccccc2)C1 ZINC000683004997 1043883820 /nfs/dbraw/zinc/88/38/20/1043883820.db2.gz VAWOFMUHPYUOMP-KBPBESRZSA-N 1 2 335.291 4.101 20 30 EIEDLO CC(C)C[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000521821640 1044008304 /nfs/dbraw/zinc/00/83/04/1044008304.db2.gz NIKRZASSDJTESZ-UHFFFAOYSA-N 1 2 346.434 4.266 20 30 EIEDLO CC(C)C[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000521821640 1044008320 /nfs/dbraw/zinc/00/83/20/1044008320.db2.gz NIKRZASSDJTESZ-UHFFFAOYSA-N 1 2 346.434 4.266 20 30 EIEDLO COc1ccc(O)c(/C=[NH+]\CCCO[C@H]2CCCc3ccccc32)c1 ZINC000733750152 1044300712 /nfs/dbraw/zinc/30/07/12/1044300712.db2.gz OGOZJYWHRURMLQ-FLVGQNKLSA-N 1 2 339.435 4.304 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757326 1044440434 /nfs/dbraw/zinc/44/04/34/1044440434.db2.gz QSJAHRFBIPPBIL-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757326 1044440447 /nfs/dbraw/zinc/44/04/47/1044440447.db2.gz QSJAHRFBIPPBIL-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO CC(C)([NH2+]Cc1csc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC000895329099 1044593668 /nfs/dbraw/zinc/59/36/68/1044593668.db2.gz PANBOTSPCFGVPI-UHFFFAOYSA-N 1 2 325.359 4.058 20 30 EIEDLO CCn1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000092128741 1044729153 /nfs/dbraw/zinc/72/91/53/1044729153.db2.gz SNOGPSZTQZZPMY-UHFFFAOYSA-N 1 2 348.425 4.116 20 30 EIEDLO CCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000092128741 1044729168 /nfs/dbraw/zinc/72/91/68/1044729168.db2.gz SNOGPSZTQZZPMY-UHFFFAOYSA-N 1 2 348.425 4.116 20 30 EIEDLO N#Cc1ccc(F)c(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)c1 ZINC001211884708 1044816831 /nfs/dbraw/zinc/81/68/31/1044816831.db2.gz HHSTZFSTBDFXIJ-QZTJIDSGSA-N 1 2 348.381 4.303 20 30 EIEDLO C=CCCC[N@@H+](C)Cn1ncn(-c2ccc(C)c(Cl)c2)c1=S ZINC000736589482 1044958731 /nfs/dbraw/zinc/95/87/31/1044958731.db2.gz IINJERYYXNRGOR-UHFFFAOYSA-N 1 2 336.892 4.221 20 30 EIEDLO C=CCCC[N@H+](C)Cn1ncn(-c2ccc(C)c(Cl)c2)c1=S ZINC000736589482 1044958744 /nfs/dbraw/zinc/95/87/44/1044958744.db2.gz IINJERYYXNRGOR-UHFFFAOYSA-N 1 2 336.892 4.221 20 30 EIEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1c[nH+]c2ccccn12 ZINC000740765544 1045218378 /nfs/dbraw/zinc/21/83/78/1045218378.db2.gz FWEYSVOJSALULS-JXMROGBWSA-N 1 2 329.186 4.464 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1nc(-c2ccccc2)cs1 ZINC000740765470 1045218854 /nfs/dbraw/zinc/21/88/54/1045218854.db2.gz CDTBFPNOPYAUAB-KTKRTIGZSA-N 1 2 331.400 4.354 20 30 EIEDLO CCOc1cccc2cc(C(=O)/C=C\c3c[nH+]c4ccccn34)oc21 ZINC000740764724 1045220808 /nfs/dbraw/zinc/22/08/08/1045220808.db2.gz CTWGMNZJNIMYOZ-KTKRTIGZSA-N 1 2 332.359 4.375 20 30 EIEDLO CCn1c2ccccc2c2cc(C[N@@H+](CCC#N)CCOC)ccc21 ZINC000611268787 1045271269 /nfs/dbraw/zinc/27/12/69/1045271269.db2.gz XKJWZLYNRIPLDL-UHFFFAOYSA-N 1 2 335.451 4.176 20 30 EIEDLO CCn1c2ccccc2c2cc(C[N@H+](CCC#N)CCOC)ccc21 ZINC000611268787 1045271279 /nfs/dbraw/zinc/27/12/79/1045271279.db2.gz XKJWZLYNRIPLDL-UHFFFAOYSA-N 1 2 335.451 4.176 20 30 EIEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)on1 ZINC000193498108 1045292171 /nfs/dbraw/zinc/29/21/71/1045292171.db2.gz OAFXPJTVSUKTAI-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)on1 ZINC000193498108 1045292191 /nfs/dbraw/zinc/29/21/91/1045292191.db2.gz OAFXPJTVSUKTAI-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)c(O)c1 ZINC000762600769 1045310990 /nfs/dbraw/zinc/31/09/90/1045310990.db2.gz RDWHVHGVMGJRQF-MDZDMXLPSA-N 1 2 336.391 4.068 20 30 EIEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000611468608 1045313362 /nfs/dbraw/zinc/31/33/62/1045313362.db2.gz SQHQQEOXMSVVJI-HXUWFJFHSA-N 1 2 332.451 4.433 20 30 EIEDLO CC(C)[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Br ZINC000611500500 1045319268 /nfs/dbraw/zinc/31/92/68/1045319268.db2.gz RKSGPKGZGYVGNI-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Br ZINC000611500500 1045319272 /nfs/dbraw/zinc/31/92/72/1045319272.db2.gz RKSGPKGZGYVGNI-UHFFFAOYSA-N 1 2 344.256 4.126 20 30 EIEDLO CCOc1cccc(C[N@@H+](CCC#N)CC(C)C)c1OC(F)F ZINC000768155325 1045726892 /nfs/dbraw/zinc/72/68/92/1045726892.db2.gz YULQYRKWGUMSFY-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO CCOc1cccc(C[N@H+](CCC#N)CC(C)C)c1OC(F)F ZINC000768155325 1045726879 /nfs/dbraw/zinc/72/68/79/1045726879.db2.gz YULQYRKWGUMSFY-UHFFFAOYSA-N 1 2 326.387 4.058 20 30 EIEDLO CC(N=Nc1nccc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915980467 1045853330 /nfs/dbraw/zinc/85/33/30/1045853330.db2.gz WQRYCSVAWDZYNE-UHFFFAOYSA-N 1 2 333.420 4.318 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(OC(F)(F)F)cc1 ZINC000769606704 1046030571 /nfs/dbraw/zinc/03/05/71/1046030571.db2.gz DEYPSCPMXCSULI-TWGQIWQCSA-N 1 2 332.281 4.129 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1nc(-c2ccccc2)cs1 ZINC000769609141 1046033150 /nfs/dbraw/zinc/03/31/50/1046033150.db2.gz GRXMUXGVISTFSW-KTKRTIGZSA-N 1 2 331.400 4.354 20 30 EIEDLO COc1ccccc1Nc1nc(Cl)c(C=[NH+]NCC(C)C)s1 ZINC000916543838 1046073373 /nfs/dbraw/zinc/07/33/73/1046073373.db2.gz WVMYDVQSPHMMGG-UHFFFAOYSA-N 1 2 338.864 4.128 20 30 EIEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccnc(Br)c2)cc1 ZINC000769800737 1046077676 /nfs/dbraw/zinc/07/76/76/1046077676.db2.gz FZYBWKSSAVXGPH-UHFFFAOYSA-N 1 2 347.260 4.136 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(-c2ccncc2)c1 ZINC000162260086 1046166439 /nfs/dbraw/zinc/16/64/39/1046166439.db2.gz FOVRWUQJFZHKAX-UHFFFAOYSA-N 1 2 344.418 4.438 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000770383415 1046189009 /nfs/dbraw/zinc/18/90/09/1046189009.db2.gz ZESZHTBBKFTELV-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000770383415 1046189018 /nfs/dbraw/zinc/18/90/18/1046189018.db2.gz ZESZHTBBKFTELV-UHFFFAOYSA-N 1 2 348.837 4.149 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000536667367 1046643578 /nfs/dbraw/zinc/64/35/78/1046643578.db2.gz ALVLJHVRYUZTIY-KRWDZBQOSA-N 1 2 345.446 4.261 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000536667367 1046643585 /nfs/dbraw/zinc/64/35/85/1046643585.db2.gz ALVLJHVRYUZTIY-KRWDZBQOSA-N 1 2 345.446 4.261 20 30 EIEDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459531892 1046757635 /nfs/dbraw/zinc/75/76/35/1046757635.db2.gz NBNUVBWYWNAUKA-SFHVURJKSA-N 1 2 339.395 4.058 20 30 EIEDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459531892 1046757642 /nfs/dbraw/zinc/75/76/42/1046757642.db2.gz NBNUVBWYWNAUKA-SFHVURJKSA-N 1 2 339.395 4.058 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000917458572 1046889096 /nfs/dbraw/zinc/88/90/96/1046889096.db2.gz LGDUBTWNNOHEMC-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000917458572 1046889104 /nfs/dbraw/zinc/88/91/04/1046889104.db2.gz LGDUBTWNNOHEMC-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806136646 1047130692 /nfs/dbraw/zinc/13/06/92/1047130692.db2.gz AKZMWLZRTBMPFU-INIZCTEOSA-N 1 2 343.298 4.390 20 30 EIEDLO Cc1nc2ccc(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595583 1047333632 /nfs/dbraw/zinc/33/36/32/1047333632.db2.gz COFAXXKHKWZFDH-LJQANCHMSA-N 1 2 349.459 4.050 20 30 EIEDLO Cc1nc2ccc(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595583 1047333649 /nfs/dbraw/zinc/33/36/49/1047333649.db2.gz COFAXXKHKWZFDH-LJQANCHMSA-N 1 2 349.459 4.050 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000537500451 1047648248 /nfs/dbraw/zinc/64/82/48/1047648248.db2.gz LZIYXFNCICSDOS-IBGZPJMESA-N 1 2 347.443 4.089 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1 ZINC000130323788 1047684010 /nfs/dbraw/zinc/68/40/10/1047684010.db2.gz LVMFBWOHJLCXST-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1 ZINC000130323788 1047684027 /nfs/dbraw/zinc/68/40/27/1047684027.db2.gz LVMFBWOHJLCXST-UHFFFAOYSA-N 1 2 328.843 4.275 20 30 EIEDLO CC(=[NH+]Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814689628 1048132963 /nfs/dbraw/zinc/13/29/63/1048132963.db2.gz BOZIRORQZDDCSQ-UHFFFAOYSA-N 1 2 338.289 4.032 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(C[N@H+](CCC#N)C2CCCC2)ccn1 ZINC001143691481 1048155557 /nfs/dbraw/zinc/15/55/57/1048155557.db2.gz HVJSUPCRRQTCTM-UHFFFAOYSA-N 1 2 344.459 4.087 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(C[N@@H+](CCC#N)C2CCCC2)ccn1 ZINC001143691481 1048155562 /nfs/dbraw/zinc/15/55/62/1048155562.db2.gz HVJSUPCRRQTCTM-UHFFFAOYSA-N 1 2 344.459 4.087 20 30 EIEDLO CC(=[NH+]Nc1ccc(F)cc1Br)c1cc(N)ccc1F ZINC000814791993 1048171514 /nfs/dbraw/zinc/17/15/14/1048171514.db2.gz LHAKQJJGTBSHEE-UHFFFAOYSA-N 1 2 340.171 4.146 20 30 EIEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)Cc1c(Cl)cccc1C#N ZINC001143731701 1048177013 /nfs/dbraw/zinc/17/70/13/1048177013.db2.gz BJLWXGISZFZWPN-UHFFFAOYSA-N 1 2 336.826 4.029 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001143731758 1048179695 /nfs/dbraw/zinc/17/96/95/1048179695.db2.gz DOACVWQDRMZXEW-INIZCTEOSA-N 1 2 330.790 4.004 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001143731758 1048179703 /nfs/dbraw/zinc/17/97/03/1048179703.db2.gz DOACVWQDRMZXEW-INIZCTEOSA-N 1 2 330.790 4.004 20 30 EIEDLO CC(=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1)c1cc(N)ccc1F ZINC000814828757 1048187645 /nfs/dbraw/zinc/18/76/45/1048187645.db2.gz QKSYKAPRRYCHGG-UHFFFAOYSA-N 1 2 336.292 4.134 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698756 1048461946 /nfs/dbraw/zinc/46/19/46/1048461946.db2.gz HXCRDSUEGXKPGU-QGZVFWFLSA-N 1 2 347.817 4.351 20 30 EIEDLO CCOc1cccc(/C=[NH+]/C[C@H](C)COCc2ccccc2)c1O ZINC000920173718 1048572727 /nfs/dbraw/zinc/57/27/27/1048572727.db2.gz GHLXVJDPRQOUCD-REIAIGDLSA-N 1 2 327.424 4.063 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cc1Br ZINC001144588195 1048740975 /nfs/dbraw/zinc/74/09/75/1048740975.db2.gz LSKSKQIRMZJHHL-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cc1Br ZINC001144588195 1048740992 /nfs/dbraw/zinc/74/09/92/1048740992.db2.gz LSKSKQIRMZJHHL-GFCCVEGCSA-N 1 2 325.225 4.022 20 30 EIEDLO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c(Br)c1 ZINC000846009726 1048785619 /nfs/dbraw/zinc/78/56/19/1048785619.db2.gz CVNRPXDGANSQHD-GFCCVEGCSA-N 1 2 337.261 4.192 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689808 1048809100 /nfs/dbraw/zinc/80/91/00/1048809100.db2.gz OEEKYPGQZLSBLW-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689808 1048809104 /nfs/dbraw/zinc/80/91/04/1048809104.db2.gz OEEKYPGQZLSBLW-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO Brc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000920941633 1048815493 /nfs/dbraw/zinc/81/54/93/1048815493.db2.gz JGKPZGJQGZZJEL-UHFFFAOYSA-N 1 2 348.244 4.478 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519272 1048824000 /nfs/dbraw/zinc/82/40/00/1048824000.db2.gz DSKHPDRSHHEXKM-YJBOKZPZSA-N 1 2 344.817 4.456 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519272 1048824001 /nfs/dbraw/zinc/82/40/01/1048824001.db2.gz DSKHPDRSHHEXKM-YJBOKZPZSA-N 1 2 344.817 4.456 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000921046767 1048843999 /nfs/dbraw/zinc/84/39/99/1048843999.db2.gz RBRCSBSHADRWGC-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000921046767 1048844003 /nfs/dbraw/zinc/84/40/03/1048844003.db2.gz RBRCSBSHADRWGC-UHFFFAOYSA-N 1 2 344.528 4.126 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N/Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000921138532 1048857381 /nfs/dbraw/zinc/85/73/81/1048857381.db2.gz QPBIPPJIUDWQMW-OEAKJJBVSA-N 1 2 327.387 4.350 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(Cl)c(F)c1 ZINC000846898594 1048940161 /nfs/dbraw/zinc/94/01/61/1048940161.db2.gz ILDMHNXKSYKIDE-UHFFFAOYSA-N 1 2 336.842 4.230 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(Cl)c(F)c1 ZINC000846898594 1048940178 /nfs/dbraw/zinc/94/01/78/1048940178.db2.gz ILDMHNXKSYKIDE-UHFFFAOYSA-N 1 2 336.842 4.230 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(Cl)cc1 ZINC000811516929 1049102229 /nfs/dbraw/zinc/10/22/29/1049102229.db2.gz YMNKCWUDVDUITJ-SCLBCKFNSA-N 1 2 341.838 4.136 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000811516414 1049129929 /nfs/dbraw/zinc/12/99/29/1049129929.db2.gz NNVWZCMDALCGAJ-FQEVSTJZSA-N 1 2 335.838 4.049 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1csc(-c2ccccc2F)n1 ZINC000812244198 1049397917 /nfs/dbraw/zinc/39/79/17/1049397917.db2.gz FVRAXDXJIIGJPV-HJWRWDBZSA-N 1 2 349.390 4.493 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)c1ccccc1 ZINC000821221365 1049614626 /nfs/dbraw/zinc/61/46/26/1049614626.db2.gz VASFFQMSCXTMDQ-CQSZACIVSA-N 1 2 349.659 4.352 20 30 EIEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)[nH+]c1C ZINC000822730382 1049789626 /nfs/dbraw/zinc/78/96/26/1049789626.db2.gz KLYXELRFDKWXLS-HXUWFJFHSA-N 1 2 334.423 4.106 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001171809832 1049807759 /nfs/dbraw/zinc/80/77/59/1049807759.db2.gz KJIOMDWRMONTSB-INIZCTEOSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001171809832 1049807760 /nfs/dbraw/zinc/80/77/60/1049807760.db2.gz KJIOMDWRMONTSB-INIZCTEOSA-N 1 2 335.234 4.030 20 30 EIEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550555 1049929028 /nfs/dbraw/zinc/92/90/28/1049929028.db2.gz HQAQBYXZBDSRGI-VSKRKVRLSA-N 1 2 349.474 4.253 20 30 EIEDLO CCCC[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001172627858 1049953570 /nfs/dbraw/zinc/95/35/70/1049953570.db2.gz RLOVVICIMRLKRQ-DLBZAZTESA-N 1 2 349.519 4.371 20 30 EIEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+](CCC#N)Cc1cccnc1 ZINC001172864507 1050175621 /nfs/dbraw/zinc/17/56/21/1050175621.db2.gz SLPLJTNPXJTVNU-CQSZACIVSA-N 1 2 331.822 4.221 20 30 EIEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172864507 1050175630 /nfs/dbraw/zinc/17/56/30/1050175630.db2.gz SLPLJTNPXJTVNU-CQSZACIVSA-N 1 2 331.822 4.221 20 30 EIEDLO COC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)c1cccc2ccccc21 ZINC001173330963 1050422562 /nfs/dbraw/zinc/42/25/62/1050422562.db2.gz XYEZAIPIRKGMNY-LAGYLCCXSA-N 1 2 336.435 4.116 20 30 EIEDLO C=C(C)COc1cc(C[NH2+]CC(F)(F)C(C)(C)C)ccc1OC ZINC001179222812 1050651987 /nfs/dbraw/zinc/65/19/87/1050651987.db2.gz SAFWFJXNKLHVPI-UHFFFAOYSA-N 1 2 327.415 4.421 20 30 EIEDLO C=CC[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(OC)cc1 ZINC000163074004 1050685331 /nfs/dbraw/zinc/68/53/31/1050685331.db2.gz BVSZLBRFUKGMDO-UHFFFAOYSA-N 1 2 326.371 4.164 20 30 EIEDLO C=CC[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(OC)cc1 ZINC000163074004 1050685340 /nfs/dbraw/zinc/68/53/40/1050685340.db2.gz BVSZLBRFUKGMDO-UHFFFAOYSA-N 1 2 326.371 4.164 20 30 EIEDLO C#CC[N@@H+](Cc1cn(-c2ccc(C)cc2)nc1C)Cc1ccc(F)cc1 ZINC001180031027 1050860037 /nfs/dbraw/zinc/86/00/37/1050860037.db2.gz SRZVRYWFVBYFFA-UHFFFAOYSA-N 1 2 347.437 4.264 20 30 EIEDLO C#CC[N@H+](Cc1cn(-c2ccc(C)cc2)nc1C)Cc1ccc(F)cc1 ZINC001180031027 1050860046 /nfs/dbraw/zinc/86/00/46/1050860046.db2.gz SRZVRYWFVBYFFA-UHFFFAOYSA-N 1 2 347.437 4.264 20 30 EIEDLO CC(C)[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC001180489326 1051005480 /nfs/dbraw/zinc/00/54/80/1051005480.db2.gz YBDIGKCMGBLUCT-XZOQPEGZSA-N 1 2 347.506 4.136 20 30 EIEDLO CC(C)[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC001180489326 1051005493 /nfs/dbraw/zinc/00/54/93/1051005493.db2.gz YBDIGKCMGBLUCT-XZOQPEGZSA-N 1 2 347.506 4.136 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)o2)c1 ZINC000775338789 1051095141 /nfs/dbraw/zinc/09/51/41/1051095141.db2.gz SDAHHIUEWHMZOX-HUUCEWRRSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)cc1F ZINC001237507703 1051152572 /nfs/dbraw/zinc/15/25/72/1051152572.db2.gz FPLNHGVLMZTJDA-UHFFFAOYSA-N 1 2 347.231 4.400 20 30 EIEDLO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)cc1F ZINC001237507703 1051152576 /nfs/dbraw/zinc/15/25/76/1051152576.db2.gz FPLNHGVLMZTJDA-UHFFFAOYSA-N 1 2 347.231 4.400 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716916 1051737293 /nfs/dbraw/zinc/73/72/93/1051737293.db2.gz CXUNEYPWFQYSSR-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000774621073 1051833049 /nfs/dbraw/zinc/83/30/49/1051833049.db2.gz FEZYRRMKSREMIS-UONOGXRCSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000774621073 1051833053 /nfs/dbraw/zinc/83/30/53/1051833053.db2.gz FEZYRRMKSREMIS-UONOGXRCSA-N 1 2 348.541 4.406 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1cncc2ccccc21)C(=O)OCC ZINC001183549270 1051862994 /nfs/dbraw/zinc/86/29/94/1051862994.db2.gz AGKAFVRHEDIWHT-OXJNMPFZSA-N 1 2 340.467 4.043 20 30 EIEDLO COc1cc[nH+]cc1Nc1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001176124244 1051923534 /nfs/dbraw/zinc/92/35/34/1051923534.db2.gz KJEDEWZRWXZUIL-UHFFFAOYSA-N 1 2 327.693 4.378 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)cc1F ZINC001176281328 1051975333 /nfs/dbraw/zinc/97/53/33/1051975333.db2.gz MNUNHBMCUSIFIP-UHFFFAOYSA-N 1 2 337.423 4.472 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)cc1F ZINC001176281328 1051975344 /nfs/dbraw/zinc/97/53/44/1051975344.db2.gz MNUNHBMCUSIFIP-UHFFFAOYSA-N 1 2 337.423 4.472 20 30 EIEDLO N#CC1(C[NH2+]Cc2cc(Br)cnc2Cl)CCCCC1 ZINC000850391535 1053163733 /nfs/dbraw/zinc/16/37/33/1053163733.db2.gz UAJBALAMBZCWOP-UHFFFAOYSA-N 1 2 342.668 4.061 20 30 EIEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000764678202 1053255533 /nfs/dbraw/zinc/25/55/33/1053255533.db2.gz HOTWEBHSHDGQMT-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)s1 ZINC000794709862 1053335458 /nfs/dbraw/zinc/33/54/58/1053335458.db2.gz DEMRUPXNBYWMNA-KHPPLWFESA-N 1 2 344.480 4.278 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852327341 1053569067 /nfs/dbraw/zinc/56/90/67/1053569067.db2.gz VZRDCMIGAPJYNU-GOSISDBHSA-N 1 2 345.368 4.158 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852327341 1053569082 /nfs/dbraw/zinc/56/90/82/1053569082.db2.gz VZRDCMIGAPJYNU-GOSISDBHSA-N 1 2 345.368 4.158 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000852332460 1053571129 /nfs/dbraw/zinc/57/11/29/1053571129.db2.gz RUKXEIQKTTVROP-LJQANCHMSA-N 1 2 327.378 4.077 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000852332460 1053571137 /nfs/dbraw/zinc/57/11/37/1053571137.db2.gz RUKXEIQKTTVROP-LJQANCHMSA-N 1 2 327.378 4.077 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000866221451 1053656423 /nfs/dbraw/zinc/65/64/23/1053656423.db2.gz PWLVTWGBSKBESC-ZIAGYGMSSA-N 1 2 349.434 4.024 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2)c1 ZINC000866283514 1053676767 /nfs/dbraw/zinc/67/67/67/1053676767.db2.gz WAKHXDYFIYFNSK-CVEARBPZSA-N 1 2 335.451 4.276 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2)c1 ZINC000866283516 1053677262 /nfs/dbraw/zinc/67/72/62/1053677262.db2.gz WAKHXDYFIYFNSK-HZPDHXFCSA-N 1 2 335.451 4.276 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2)c1 ZINC000866283515 1053677412 /nfs/dbraw/zinc/67/74/12/1053677412.db2.gz WAKHXDYFIYFNSK-HOTGVXAUSA-N 1 2 335.451 4.276 20 30 EIEDLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853525668 1053682236 /nfs/dbraw/zinc/68/22/36/1053682236.db2.gz IDAGDKYIUIAIEP-QGZVFWFLSA-N 1 2 340.496 4.208 20 30 EIEDLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853525668 1053682240 /nfs/dbraw/zinc/68/22/40/1053682240.db2.gz IDAGDKYIUIAIEP-QGZVFWFLSA-N 1 2 340.496 4.208 20 30 EIEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(OC)c(OC)c1 ZINC000866357133 1053701906 /nfs/dbraw/zinc/70/19/06/1053701906.db2.gz HAMUGUQPUBULDH-DYVFJYSZSA-N 1 2 340.423 4.083 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1Cl ZINC001196828506 1053768918 /nfs/dbraw/zinc/76/89/18/1053768918.db2.gz FUGMRTNVYVYABM-DYVFJYSZSA-N 1 2 344.842 4.133 20 30 EIEDLO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1Cl ZINC001196828506 1053768937 /nfs/dbraw/zinc/76/89/37/1053768937.db2.gz FUGMRTNVYVYABM-DYVFJYSZSA-N 1 2 344.842 4.133 20 30 EIEDLO C=CC[N@H+](Cc1ncc(Br)cc1Br)C(C)C ZINC000775913714 1054273578 /nfs/dbraw/zinc/27/35/78/1054273578.db2.gz ZLHIRZSABIYYJB-UHFFFAOYSA-N 1 2 348.082 4.003 20 30 EIEDLO C=CC[N@@H+](Cc1ncc(Br)cc1Br)C(C)C ZINC000775913714 1054273599 /nfs/dbraw/zinc/27/35/99/1054273599.db2.gz ZLHIRZSABIYYJB-UHFFFAOYSA-N 1 2 348.082 4.003 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001199403170 1054406849 /nfs/dbraw/zinc/40/68/49/1054406849.db2.gz JUMSFSBLCPWCAR-DZGCQCFKSA-N 1 2 329.827 4.358 20 30 EIEDLO CCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000858113881 1054419228 /nfs/dbraw/zinc/41/92/28/1054419228.db2.gz ZNSDDRDYVMDWDZ-QGZVFWFLSA-N 1 2 346.519 4.079 20 30 EIEDLO CSc1nnc(SC)n1[NH+]=C[C@H](C)c1cccc(Cl)c1 ZINC000872417922 1054445460 /nfs/dbraw/zinc/44/54/60/1054445460.db2.gz UDBNQGWDCOXJMF-VIFPVBQESA-N 1 2 326.878 4.013 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(F)c(F)c1 ZINC001202066207 1055006427 /nfs/dbraw/zinc/00/64/27/1055006427.db2.gz PGMFRJOAKBUKAU-KRWDZBQOSA-N 1 2 330.334 4.219 20 30 EIEDLO Cc1c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccnc1F ZINC000862231253 1055032508 /nfs/dbraw/zinc/03/25/08/1055032508.db2.gz RXXVGKPRMRXIJL-QWRGUYRKSA-N 1 2 344.274 4.092 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccccc1Cl)c1ccccc1 ZINC000877901576 1055148138 /nfs/dbraw/zinc/14/81/38/1055148138.db2.gz ORWXWTMSHTWLMS-FQEVSTJZSA-N 1 2 340.854 4.212 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccccc1Cl)c1ccccc1 ZINC000877901576 1055148141 /nfs/dbraw/zinc/14/81/41/1055148141.db2.gz ORWXWTMSHTWLMS-FQEVSTJZSA-N 1 2 340.854 4.212 20 30 EIEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccnc(C(F)(F)F)c1)CCCC2 ZINC000863178740 1055156600 /nfs/dbraw/zinc/15/66/00/1055156600.db2.gz CLUJJNLILHPTIF-UHFFFAOYSA-N 1 2 334.345 4.225 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](C/C=C\C)C2)c1=S ZINC000863341165 1055187525 /nfs/dbraw/zinc/18/75/25/1055187525.db2.gz VRFOYBLVGJVUMP-UYWPIULCSA-N 1 2 332.517 4.113 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](C/C=C\C)C2)c1=S ZINC000863341165 1055187528 /nfs/dbraw/zinc/18/75/28/1055187528.db2.gz VRFOYBLVGJVUMP-UYWPIULCSA-N 1 2 332.517 4.113 20 30 EIEDLO N#CC1(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CCCC1 ZINC000903109301 1055544977 /nfs/dbraw/zinc/54/49/77/1055544977.db2.gz MYCIKXFOTRXJEB-LBPRGKRZSA-N 1 2 340.290 4.030 20 30 EIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000301224653 1055910712 /nfs/dbraw/zinc/91/07/12/1055910712.db2.gz CSSDLJQHDQXOLK-UHFFFAOYSA-N 1 2 326.762 4.149 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553990863 1055964166 /nfs/dbraw/zinc/96/41/66/1055964166.db2.gz IZGGIGXADMDRBB-CXAGYDPISA-N 1 2 339.464 4.030 20 30 EIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553990863 1055964195 /nfs/dbraw/zinc/96/41/95/1055964195.db2.gz IZGGIGXADMDRBB-CXAGYDPISA-N 1 2 339.464 4.030 20 30 EIEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)cc1C(F)(F)F ZINC000302691656 1056065130 /nfs/dbraw/zinc/06/51/30/1056065130.db2.gz VKHOCBMCDBWUGQ-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO N#CCc1ccc(C(F)(F)F)cc1NCCc1cn2ccccc2[nH+]1 ZINC001169008384 1060573461 /nfs/dbraw/zinc/57/34/61/1060573461.db2.gz ASAOHBFRSZFOLV-UHFFFAOYSA-N 1 2 344.340 4.074 20 30 EIEDLO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1Br ZINC001169686037 1060898281 /nfs/dbraw/zinc/89/82/81/1060898281.db2.gz DQSGZDWIYRUWNP-UHFFFAOYSA-N 1 2 346.243 4.462 20 30 EIEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1Br ZINC001169686037 1060898291 /nfs/dbraw/zinc/89/82/91/1060898291.db2.gz DQSGZDWIYRUWNP-UHFFFAOYSA-N 1 2 346.243 4.462 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCc3ccc(-c4ccccn4)cc3)c2)CC1 ZINC001169888707 1061007238 /nfs/dbraw/zinc/00/72/38/1061007238.db2.gz DCNCYQBUGLKZCC-UHFFFAOYSA-N 1 2 326.403 4.311 20 30 EIEDLO N#Cc1csc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199340 1019227578 /nfs/dbraw/zinc/22/75/78/1019227578.db2.gz UEVFMNVASQKFJB-AWEZNQCLSA-N 1 2 335.885 4.035 20 30 EIEDLO N#Cc1csc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199340 1019227592 /nfs/dbraw/zinc/22/75/92/1019227592.db2.gz UEVFMNVASQKFJB-AWEZNQCLSA-N 1 2 335.885 4.035 20 30 EIEDLO Cn1cc(C[N@H+](CC#Cc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000430263373 1019807134 /nfs/dbraw/zinc/80/71/34/1019807134.db2.gz NSZBBXXDSBMQED-UHFFFAOYSA-N 1 2 349.865 4.127 20 30 EIEDLO Cn1cc(C[N@@H+](CC#Cc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000430263373 1019807140 /nfs/dbraw/zinc/80/71/40/1019807140.db2.gz NSZBBXXDSBMQED-UHFFFAOYSA-N 1 2 349.865 4.127 20 30 EIEDLO Cc1cn2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc2[nH+]1 ZINC000432864912 1032987503 /nfs/dbraw/zinc/98/75/03/1032987503.db2.gz IZAQCULNSQWHQJ-SFHVURJKSA-N 1 2 347.422 4.199 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329608 1021664123 /nfs/dbraw/zinc/66/41/23/1021664123.db2.gz ABLQIZRDNAULPQ-VXKWHMMOSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000448329608 1021664128 /nfs/dbraw/zinc/66/41/28/1021664128.db2.gz ABLQIZRDNAULPQ-VXKWHMMOSA-N 1 2 342.446 4.144 20 30 EIEDLO C=CCC(C)(C)c1noc(C2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000340784975 1022469126 /nfs/dbraw/zinc/46/91/26/1022469126.db2.gz ZTCPQZWSVLSJDB-UHFFFAOYSA-N 1 2 346.500 4.068 20 30 EIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1c(F)cncc1F ZINC000356290561 1022620236 /nfs/dbraw/zinc/62/02/36/1022620236.db2.gz BSBALVJAFJIFDH-SECBINFHSA-N 1 2 341.283 4.101 20 30 EIEDLO Cc1cc2c(s1)N(c1ncc(C#N)cc1C)c1ccccc1NC2=[NH2+] ZINC001167463166 1023221803 /nfs/dbraw/zinc/22/18/03/1023221803.db2.gz CTQPRVFHHWSJAM-UHFFFAOYSA-N 1 2 345.431 4.452 20 30 EIEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2Br)c2ccoc2)CC1 ZINC000926874557 1023569763 /nfs/dbraw/zinc/56/97/63/1023569763.db2.gz QRCVZRVHOGWVKV-MRXNPFEDSA-N 1 2 345.240 4.219 20 30 EIEDLO N#Cc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccc2c1 ZINC000092891933 1023779426 /nfs/dbraw/zinc/77/94/26/1023779426.db2.gz YTGXYJQZCJWPHW-UHFFFAOYSA-N 1 2 343.365 4.043 20 30 EIEDLO CCCC[N@@H+]1Cc2cccc(N=Cc3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000255396706 1024011335 /nfs/dbraw/zinc/01/13/35/1024011335.db2.gz NVSGHRCHSLZJNT-UHFFFAOYSA-N 1 2 339.395 4.167 20 30 EIEDLO CCCC[N@H+]1Cc2cccc(N=Cc3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000255396706 1024011355 /nfs/dbraw/zinc/01/13/55/1024011355.db2.gz NVSGHRCHSLZJNT-UHFFFAOYSA-N 1 2 339.395 4.167 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1scnc1C1CC1 ZINC000348881579 1024792278 /nfs/dbraw/zinc/79/22/78/1024792278.db2.gz XOAXBQPEGIFBJK-UHFFFAOYSA-N 1 2 330.501 4.376 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1scnc1C1CC1 ZINC000348881579 1024792298 /nfs/dbraw/zinc/79/22/98/1024792298.db2.gz XOAXBQPEGIFBJK-UHFFFAOYSA-N 1 2 330.501 4.376 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(CC(F)(F)F)s1 ZINC000891937277 1024822434 /nfs/dbraw/zinc/82/24/34/1024822434.db2.gz FLEZNPCALNQOLK-UHFFFAOYSA-N 1 2 333.423 4.400 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(CC(F)(F)F)s1 ZINC000891937277 1024822440 /nfs/dbraw/zinc/82/24/40/1024822440.db2.gz FLEZNPCALNQOLK-UHFFFAOYSA-N 1 2 333.423 4.400 20 30 EIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)ccn1 ZINC000610991708 1025217540 /nfs/dbraw/zinc/21/75/40/1025217540.db2.gz RONHSWDZEGTWHM-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)ccn1 ZINC000610991708 1025217556 /nfs/dbraw/zinc/21/75/56/1025217556.db2.gz RONHSWDZEGTWHM-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C=C(C)CCc1noc([C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)n1 ZINC000375714684 1026792679 /nfs/dbraw/zinc/79/26/79/1026792679.db2.gz PYSRPTASYRIURI-MRXNPFEDSA-N 1 2 334.423 4.172 20 30 EIEDLO O=C(CC1CCOCC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329088338 1027584941 /nfs/dbraw/zinc/58/49/41/1027584941.db2.gz HVYDAMGPVAATRN-UHFFFAOYSA-N 1 2 339.439 4.291 20 30 EIEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1SC ZINC000162260657 1027843415 /nfs/dbraw/zinc/84/34/15/1027843415.db2.gz HYTKIHLXKZIWBK-UHFFFAOYSA-N 1 2 343.452 4.107 20 30 EIEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)CCO1 ZINC000331347056 1027961354 /nfs/dbraw/zinc/96/13/54/1027961354.db2.gz WJRAQYMIGUYIBA-SJORKVTESA-N 1 2 333.476 4.317 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CCC(OCCC(C)C)CC2)c(C)[nH+]1 ZINC000331350926 1027961594 /nfs/dbraw/zinc/96/15/94/1027961594.db2.gz YPMRMZQVXBZMGE-UHFFFAOYSA-N 1 2 333.476 4.079 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)c(Br)c1 ZINC000178944382 1028111098 /nfs/dbraw/zinc/11/10/98/1028111098.db2.gz AEJULDNMCLYBOG-FNORWQNLSA-N 1 2 345.171 4.132 20 30 EIEDLO O=C(NC1CCC2(CCCCC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329877455 1028146142 /nfs/dbraw/zinc/14/61/42/1028146142.db2.gz JIPRQCSXRLOEMQ-UHFFFAOYSA-N 1 2 344.503 4.396 20 30 EIEDLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000330187380 1028222708 /nfs/dbraw/zinc/22/27/08/1028222708.db2.gz KJNBASYIHYFHLC-CKEIUWERSA-N 1 2 346.862 4.095 20 30 EIEDLO CC[N@H+](CCC#N)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000349856610 1028322261 /nfs/dbraw/zinc/32/22/61/1028322261.db2.gz XMBVOWZCGYOZIG-UHFFFAOYSA-N 1 2 335.167 4.203 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000349856610 1028322285 /nfs/dbraw/zinc/32/22/85/1028322285.db2.gz XMBVOWZCGYOZIG-UHFFFAOYSA-N 1 2 335.167 4.203 20 30 EIEDLO CC(C)Oc1ccc(C#N)cc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000346349063 1028380821 /nfs/dbraw/zinc/38/08/21/1028380821.db2.gz JDQHBJAWQSGMPG-UHFFFAOYSA-N 1 2 338.436 4.205 20 30 EIEDLO C=CCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000522747921 1028756848 /nfs/dbraw/zinc/75/68/48/1028756848.db2.gz DNJDUHHYBFHRPS-ZDUSSCGKSA-N 1 2 334.464 4.087 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1ccc(F)c(F)c1 ZINC000647300268 1028902574 /nfs/dbraw/zinc/90/25/74/1028902574.db2.gz AJBKIJQKDWQKBJ-DJJJIMSYSA-N 1 2 331.410 4.466 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c(OC)c1 ZINC000428438792 1029259374 /nfs/dbraw/zinc/25/93/74/1029259374.db2.gz ASKSGLNVXGUPJY-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c(OC)c1 ZINC000428438792 1029259388 /nfs/dbraw/zinc/25/93/88/1029259388.db2.gz ASKSGLNVXGUPJY-LJQANCHMSA-N 1 2 340.398 4.052 20 30 EIEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000158919623 1029620644 /nfs/dbraw/zinc/62/06/44/1029620644.db2.gz BBIGGTVPJAIQJI-UHFFFAOYSA-N 1 2 333.439 4.018 20 30 EIEDLO C=CCCc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000564533660 1029637114 /nfs/dbraw/zinc/63/71/14/1029637114.db2.gz VIUQMWNNMOROMU-UHFFFAOYSA-N 1 2 345.446 4.231 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000184081516 1030049068 /nfs/dbraw/zinc/04/90/68/1030049068.db2.gz BVJPSFJWPUKCHR-KRWDZBQOSA-N 1 2 329.831 4.096 20 30 EIEDLO C=C(C)C[N@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1ccccc1 ZINC000450887739 1030090956 /nfs/dbraw/zinc/09/09/56/1030090956.db2.gz JNZGJPGJXHTTPT-UHFFFAOYSA-N 1 2 334.423 4.018 20 30 EIEDLO C=C(C)C[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)Cc1ccccc1 ZINC000450887739 1030090966 /nfs/dbraw/zinc/09/09/66/1030090966.db2.gz JNZGJPGJXHTTPT-UHFFFAOYSA-N 1 2 334.423 4.018 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022781747 1030336543 /nfs/dbraw/zinc/33/65/43/1030336543.db2.gz GONIMGWQLQEPOF-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000527112135 1030499065 /nfs/dbraw/zinc/49/90/65/1030499065.db2.gz LFZSIBWNUYMFSI-SFHVURJKSA-N 1 2 336.826 4.425 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000527112135 1030499089 /nfs/dbraw/zinc/49/90/89/1030499089.db2.gz LFZSIBWNUYMFSI-SFHVURJKSA-N 1 2 336.826 4.425 20 30 EIEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000448466018 1030807894 /nfs/dbraw/zinc/80/78/94/1030807894.db2.gz KVMSTEUWLIKBMY-UHFFFAOYSA-N 1 2 332.403 4.362 20 30 EIEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000448466018 1030807895 /nfs/dbraw/zinc/80/78/95/1030807895.db2.gz KVMSTEUWLIKBMY-UHFFFAOYSA-N 1 2 332.403 4.362 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC000528433089 1031498578 /nfs/dbraw/zinc/49/85/78/1031498578.db2.gz XOCBDGSPSMHREG-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC000528433089 1031498584 /nfs/dbraw/zinc/49/85/84/1031498584.db2.gz XOCBDGSPSMHREG-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611125 1033493310 /nfs/dbraw/zinc/49/33/10/1033493310.db2.gz HZPNTGKKPIJCDJ-APWZRJJASA-N 1 2 337.442 4.013 20 30 EIEDLO C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611125 1033493320 /nfs/dbraw/zinc/49/33/20/1033493320.db2.gz HZPNTGKKPIJCDJ-APWZRJJASA-N 1 2 337.442 4.013 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000614165804 1033540710 /nfs/dbraw/zinc/54/07/10/1033540710.db2.gz QCFZPCRNYVRREF-LJQANCHMSA-N 1 2 326.827 4.175 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000614165804 1033540713 /nfs/dbraw/zinc/54/07/13/1033540713.db2.gz QCFZPCRNYVRREF-LJQANCHMSA-N 1 2 326.827 4.175 20 30 EIEDLO CCS[C@@H](C)c1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433007505 1033643614 /nfs/dbraw/zinc/64/36/14/1033643614.db2.gz ACFYNMKWORZSLA-HOCLYGCPSA-N 1 2 344.484 4.408 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](CC)C[C@@H](C)C#N)o2)cc1 ZINC000614231873 1033855136 /nfs/dbraw/zinc/85/51/36/1033855136.db2.gz NUUQOFRRWMWYMT-HNNXBMFYSA-N 1 2 340.423 4.105 20 30 EIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CC)C[C@@H](C)C#N)o2)cc1 ZINC000614231873 1033855143 /nfs/dbraw/zinc/85/51/43/1033855143.db2.gz NUUQOFRRWMWYMT-HNNXBMFYSA-N 1 2 340.423 4.105 20 30 EIEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000576409474 1034533899 /nfs/dbraw/zinc/53/38/99/1034533899.db2.gz UWVWHPMBBPOOLA-INIZCTEOSA-N 1 2 337.423 4.008 20 30 EIEDLO C=CCn1c(SCCc2[nH+]cc(C)cc2C)nnc1-c1ccco1 ZINC000574915773 1035578384 /nfs/dbraw/zinc/57/83/84/1035578384.db2.gz ANQLJKADVKEFOT-UHFFFAOYSA-N 1 2 340.452 4.071 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000029685212 1035736800 /nfs/dbraw/zinc/73/68/00/1035736800.db2.gz WLNUKIVJWFFNAM-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C#N)s1)c1ccccn1 ZINC000183359591 1035739160 /nfs/dbraw/zinc/73/91/60/1035739160.db2.gz OVDMCEXHKMZSJV-XOBRGWDASA-N 1 2 349.459 4.464 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113538 1035776183 /nfs/dbraw/zinc/77/61/83/1035776183.db2.gz OCNZXNJSXNFJIV-UHFFFAOYSA-N 1 2 334.316 4.495 20 30 EIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)c(F)c3F)CC2)cc1 ZINC000596996538 1036072691 /nfs/dbraw/zinc/07/26/91/1036072691.db2.gz STHNNFIDPAKQIF-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000588211864 1036315220 /nfs/dbraw/zinc/31/52/20/1036315220.db2.gz XIGOIKMOIJIQRB-GOSISDBHSA-N 1 2 336.439 4.244 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000588211864 1036315238 /nfs/dbraw/zinc/31/52/38/1036315238.db2.gz XIGOIKMOIJIQRB-GOSISDBHSA-N 1 2 336.439 4.244 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187792681 1036862318 /nfs/dbraw/zinc/86/23/18/1036862318.db2.gz KEDOTYVWURDERS-KRWDZBQOSA-N 1 2 336.313 4.419 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000590193156 1037008335 /nfs/dbraw/zinc/00/83/35/1037008335.db2.gz GHSFKOJUARHLHK-LRDDRELGSA-N 1 2 326.362 4.051 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000590193156 1037008354 /nfs/dbraw/zinc/00/83/54/1037008354.db2.gz GHSFKOJUARHLHK-LRDDRELGSA-N 1 2 326.362 4.051 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000137222026 1037498031 /nfs/dbraw/zinc/49/80/31/1037498031.db2.gz DTIBWWICBLGLPB-UHFFFAOYSA-N 1 2 344.455 4.174 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000137222026 1037498047 /nfs/dbraw/zinc/49/80/47/1037498047.db2.gz DTIBWWICBLGLPB-UHFFFAOYSA-N 1 2 344.455 4.174 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176988 1037887119 /nfs/dbraw/zinc/88/71/19/1037887119.db2.gz SWFLTRWUVNTYQS-GFCCVEGCSA-N 1 2 329.787 4.313 20 30 EIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176988 1037887123 /nfs/dbraw/zinc/88/71/23/1037887123.db2.gz SWFLTRWUVNTYQS-GFCCVEGCSA-N 1 2 329.787 4.313 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)o2)c1 ZINC000046518199 1038298554 /nfs/dbraw/zinc/29/85/54/1038298554.db2.gz DUERLZJXVSOUHQ-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)o2)c1 ZINC000046518199 1038298571 /nfs/dbraw/zinc/29/85/71/1038298571.db2.gz DUERLZJXVSOUHQ-OAHLLOKOSA-N 1 2 332.407 4.110 20 30 EIEDLO N#Cc1c(NCc2cc[nH+]c(N3CCCC3)c2)cccc1C(F)F ZINC000594543006 1038354348 /nfs/dbraw/zinc/35/43/48/1038354348.db2.gz VYBGMHNCQDMEPQ-UHFFFAOYSA-N 1 2 328.366 4.103 20 30 EIEDLO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000552316910 1039392583 /nfs/dbraw/zinc/39/25/83/1039392583.db2.gz SFIGTSDDCKZPLN-UHFFFAOYSA-N 1 2 349.194 4.449 20 30 EIEDLO C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000552316910 1039392595 /nfs/dbraw/zinc/39/25/95/1039392595.db2.gz SFIGTSDDCKZPLN-UHFFFAOYSA-N 1 2 349.194 4.449 20 30 EIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768306 1039745112 /nfs/dbraw/zinc/74/51/12/1039745112.db2.gz ZBJYYJZNIPIKAH-LJQANCHMSA-N 1 2 342.464 4.004 20 30 EIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768306 1039745130 /nfs/dbraw/zinc/74/51/30/1039745130.db2.gz ZBJYYJZNIPIKAH-LJQANCHMSA-N 1 2 342.464 4.004 20 30 EIEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cc1OC ZINC000160423600 1040513679 /nfs/dbraw/zinc/51/36/79/1040513679.db2.gz LPRDMAJVPLRBSU-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cc1OC ZINC000160423600 1040513696 /nfs/dbraw/zinc/51/36/96/1040513696.db2.gz LPRDMAJVPLRBSU-GOSISDBHSA-N 1 2 340.398 4.052 20 30 EIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818381 1041237669 /nfs/dbraw/zinc/23/76/69/1041237669.db2.gz AYMHZKIWBOIJBF-UHFFFAOYSA-N 1 2 327.359 4.018 20 30 EIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818381 1041237686 /nfs/dbraw/zinc/23/76/86/1041237686.db2.gz AYMHZKIWBOIJBF-UHFFFAOYSA-N 1 2 327.359 4.018 20 30 EIEDLO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1F ZINC000480685575 1041469962 /nfs/dbraw/zinc/46/99/62/1041469962.db2.gz AJCUOZHUPGPJPS-NSHDSACASA-N 1 2 342.805 4.088 20 30 EIEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Br ZINC000480687604 1041473034 /nfs/dbraw/zinc/47/30/34/1041473034.db2.gz XHXBWJHAIJXIHE-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Br ZINC000480687604 1041473039 /nfs/dbraw/zinc/47/30/39/1041473039.db2.gz XHXBWJHAIJXIHE-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000538752936 1041531019 /nfs/dbraw/zinc/53/10/19/1041531019.db2.gz XWIAFZWOWOULKX-KXBFYZLASA-N 1 2 329.465 4.275 20 30 EIEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000538752936 1041531032 /nfs/dbraw/zinc/53/10/32/1041531032.db2.gz XWIAFZWOWOULKX-KXBFYZLASA-N 1 2 329.465 4.275 20 30 EIEDLO CCCn1c2ccccc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000540807717 1041682452 /nfs/dbraw/zinc/68/24/52/1041682452.db2.gz LJFZJBMXJFXWNE-UHFFFAOYSA-N 1 2 348.450 4.163 20 30 EIEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccccc2)s1 ZINC000464491108 1042037807 /nfs/dbraw/zinc/03/78/07/1042037807.db2.gz SNCPJMLJXISXPL-UHFFFAOYSA-N 1 2 325.437 4.029 20 30 EIEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccccc2)s1 ZINC000464491108 1042037814 /nfs/dbraw/zinc/03/78/14/1042037814.db2.gz SNCPJMLJXISXPL-UHFFFAOYSA-N 1 2 325.437 4.029 20 30 EIEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000517897510 1042258098 /nfs/dbraw/zinc/25/80/98/1042258098.db2.gz XIGVDLSVXDRFHL-UHFFFAOYSA-N 1 2 349.274 4.131 20 30 EIEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000517897510 1042258105 /nfs/dbraw/zinc/25/81/05/1042258105.db2.gz XIGVDLSVXDRFHL-UHFFFAOYSA-N 1 2 349.274 4.131 20 30 EIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443602 1042628793 /nfs/dbraw/zinc/62/87/93/1042628793.db2.gz WHNWNRRCNJGZNI-ZLOXQWCVSA-N 1 2 346.883 4.142 20 30 EIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439443602 1042628795 /nfs/dbraw/zinc/62/87/95/1042628795.db2.gz WHNWNRRCNJGZNI-ZLOXQWCVSA-N 1 2 346.883 4.142 20 30 EIEDLO CC[N@H+](Cc1ccc(C#N)cc1Cl)Cc1ccc(OC)cc1OC ZINC000439453358 1042637049 /nfs/dbraw/zinc/63/70/49/1042637049.db2.gz PDUCWRQXUNAGEQ-UHFFFAOYSA-N 1 2 344.842 4.251 20 30 EIEDLO CC[N@@H+](Cc1ccc(C#N)cc1Cl)Cc1ccc(OC)cc1OC ZINC000439453358 1042637052 /nfs/dbraw/zinc/63/70/52/1042637052.db2.gz PDUCWRQXUNAGEQ-UHFFFAOYSA-N 1 2 344.842 4.251 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000187369918 1043345741 /nfs/dbraw/zinc/34/57/41/1043345741.db2.gz HSVVLIQKODXIHO-LJQANCHMSA-N 1 2 327.378 4.259 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Br)cc1 ZINC000730147683 1043457150 /nfs/dbraw/zinc/45/71/50/1043457150.db2.gz IHANGTFCBPLSRN-UHFFFAOYSA-N 1 2 340.224 4.255 20 30 EIEDLO N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000731027048 1043680002 /nfs/dbraw/zinc/68/00/02/1043680002.db2.gz OGIWUZBSJCCNKC-UHFFFAOYSA-N 1 2 337.383 4.207 20 30 EIEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000674463161 1043696263 /nfs/dbraw/zinc/69/62/63/1043696263.db2.gz MWDKTSKMWFADRX-UWVGGRQHSA-N 1 2 345.258 4.007 20 30 EIEDLO O=C1c2sc(-c3ccc(Cl)cc3)nc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000731159849 1043704660 /nfs/dbraw/zinc/70/46/60/1043704660.db2.gz YECAQOMTGVUOGW-PKNBQFBNSA-N 1 2 341.823 4.399 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)Cc1cccs1 ZINC000078955490 1043816622 /nfs/dbraw/zinc/81/66/22/1043816622.db2.gz QHOHPTVPVWPHHZ-UHFFFAOYSA-N 1 2 328.481 4.246 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)Cc1cccs1 ZINC000078955490 1043816629 /nfs/dbraw/zinc/81/66/29/1043816629.db2.gz QHOHPTVPVWPHHZ-UHFFFAOYSA-N 1 2 328.481 4.246 20 30 EIEDLO CC[N@H+](Cc1csc([C@H](C)OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000245470208 1043917992 /nfs/dbraw/zinc/91/79/92/1043917992.db2.gz MOSPUSKQODTWGX-KGLIPLIRSA-N 1 2 329.469 4.305 20 30 EIEDLO CC[N@@H+](Cc1csc([C@H](C)OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000245470208 1043918011 /nfs/dbraw/zinc/91/80/11/1043918011.db2.gz MOSPUSKQODTWGX-KGLIPLIRSA-N 1 2 329.469 4.305 20 30 EIEDLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccc(C#N)cc3)cs2)cc1 ZINC000733324518 1044187611 /nfs/dbraw/zinc/18/76/11/1044187611.db2.gz HOTNVEVAEZNFOP-UHFFFAOYSA-N 1 2 349.459 4.192 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174332821 1044261213 /nfs/dbraw/zinc/26/12/13/1044261213.db2.gz CYVVGAXVLPSQKU-QWHCGFSZSA-N 1 2 336.370 4.159 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000175027274 1044343118 /nfs/dbraw/zinc/34/31/18/1044343118.db2.gz ZPHMZIVCMQGVCL-VXGBXAGGSA-N 1 2 345.805 4.029 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2ccns2)cc1OC ZINC000895452453 1044752368 /nfs/dbraw/zinc/75/23/68/1044752368.db2.gz NKHOJMLUSSXZLY-UHFFFAOYSA-N 1 2 338.860 4.002 20 30 EIEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccns2)cc1OC ZINC000895452453 1044752386 /nfs/dbraw/zinc/75/23/86/1044752386.db2.gz NKHOJMLUSSXZLY-UHFFFAOYSA-N 1 2 338.860 4.002 20 30 EIEDLO Cc1cc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)ccc1C#N ZINC001211884700 1044815224 /nfs/dbraw/zinc/81/52/24/1044815224.db2.gz HHJDEBWEWQZCND-MOPGFXCFSA-N 1 2 344.418 4.473 20 30 EIEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000735925811 1044879895 /nfs/dbraw/zinc/87/98/95/1044879895.db2.gz STJGDUMEIHDLJL-UHFFFAOYSA-N 1 2 330.646 4.330 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(OCC(F)(F)F)cc1 ZINC000740765213 1045220870 /nfs/dbraw/zinc/22/08/70/1045220870.db2.gz SKMORCPWXVNFQQ-RMKNXTFCSA-N 1 2 346.308 4.172 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861644 1045231628 /nfs/dbraw/zinc/23/16/28/1045231628.db2.gz QNUYGQXDUJTJMP-KGLIPLIRSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861644 1045231634 /nfs/dbraw/zinc/23/16/34/1045231634.db2.gz QNUYGQXDUJTJMP-KGLIPLIRSA-N 1 2 346.475 4.094 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000611287741 1045276336 /nfs/dbraw/zinc/27/63/36/1045276336.db2.gz USDNGGNRSDLRAJ-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000611287741 1045276342 /nfs/dbraw/zinc/27/63/42/1045276342.db2.gz USDNGGNRSDLRAJ-UHFFFAOYSA-N 1 2 343.352 4.261 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(Br)c1 ZINC000611500620 1045319398 /nfs/dbraw/zinc/31/93/98/1045319398.db2.gz DVIVSIXVJXZIKB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(Br)c1 ZINC000611500620 1045319402 /nfs/dbraw/zinc/31/94/02/1045319402.db2.gz DVIVSIXVJXZIKB-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO CCCCCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767842956 1045657396 /nfs/dbraw/zinc/65/73/96/1045657396.db2.gz KHSONUJWBDUNHY-GOSISDBHSA-N 1 2 348.535 4.450 20 30 EIEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1C(C)(C)C#N ZINC000767892851 1045663675 /nfs/dbraw/zinc/66/36/75/1045663675.db2.gz XXXLYTVCPSSRPN-UHFFFAOYSA-N 1 2 344.462 4.305 20 30 EIEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1C(C)(C)C#N ZINC000767892851 1045663702 /nfs/dbraw/zinc/66/37/02/1045663702.db2.gz XXXLYTVCPSSRPN-UHFFFAOYSA-N 1 2 344.462 4.305 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000455480032 1045692528 /nfs/dbraw/zinc/69/25/28/1045692528.db2.gz GWUVADCSGMZTOH-MOPGFXCFSA-N 1 2 348.450 4.311 20 30 EIEDLO CC[N@H+](Cc1occc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000768513997 1045813679 /nfs/dbraw/zinc/81/36/79/1045813679.db2.gz FIWVYDUGXFYKAS-GFCCVEGCSA-N 1 2 333.229 4.497 20 30 EIEDLO CC[N@@H+](Cc1occc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000768513997 1045813681 /nfs/dbraw/zinc/81/36/81/1045813681.db2.gz FIWVYDUGXFYKAS-GFCCVEGCSA-N 1 2 333.229 4.497 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(Cl)c1F ZINC000792167677 1045872534 /nfs/dbraw/zinc/87/25/34/1045872534.db2.gz YFVATCGRCNXFJC-UHFFFAOYSA-N 1 2 330.790 4.245 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(Cl)c1F ZINC000792167677 1045872543 /nfs/dbraw/zinc/87/25/43/1045872543.db2.gz YFVATCGRCNXFJC-UHFFFAOYSA-N 1 2 330.790 4.245 20 30 EIEDLO N#CCCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076942188 1045918679 /nfs/dbraw/zinc/91/86/79/1045918679.db2.gz OAVRPACKGQAAOX-HNNXBMFYSA-N 1 2 340.254 4.090 20 30 EIEDLO N#CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076942188 1045918688 /nfs/dbraw/zinc/91/86/88/1045918688.db2.gz OAVRPACKGQAAOX-HNNXBMFYSA-N 1 2 340.254 4.090 20 30 EIEDLO CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916316949 1045995755 /nfs/dbraw/zinc/99/57/55/1045995755.db2.gz RDBOKOKGWPQQOE-UHFFFAOYSA-N 1 2 346.221 4.410 20 30 EIEDLO C=C(Cl)COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000769606230 1046031113 /nfs/dbraw/zinc/03/11/13/1046031113.db2.gz COSBYJKCDVVNDW-JXMROGBWSA-N 1 2 338.794 4.362 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(OC(F)(F)F)c1 ZINC000769610520 1046034259 /nfs/dbraw/zinc/03/42/59/1046034259.db2.gz SATTZKJKPIZINI-FPLPWBNLSA-N 1 2 332.281 4.129 20 30 EIEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C\c1cccc2[nH+]ccn21 ZINC000769615846 1046035153 /nfs/dbraw/zinc/03/51/53/1046035153.db2.gz QYQPVFAEONRGPX-DHZHZOJOSA-N 1 2 329.186 4.464 20 30 EIEDLO Cc1cc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)oc2cc1C ZINC000770393505 1046192773 /nfs/dbraw/zinc/19/27/73/1046192773.db2.gz YUBZVTKGWNUWEB-QFIPXVFZSA-N 1 2 346.430 4.495 20 30 EIEDLO Cc1cc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)oc2cc1C ZINC000770393505 1046192779 /nfs/dbraw/zinc/19/27/79/1046192779.db2.gz YUBZVTKGWNUWEB-QFIPXVFZSA-N 1 2 346.430 4.495 20 30 EIEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665062 1046640422 /nfs/dbraw/zinc/64/04/22/1046640422.db2.gz OWGRDKXQFYEVGL-KRWDZBQOSA-N 1 2 345.446 4.261 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665062 1046640433 /nfs/dbraw/zinc/64/04/33/1046640433.db2.gz OWGRDKXQFYEVGL-KRWDZBQOSA-N 1 2 345.446 4.261 20 30 EIEDLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668532 1046643982 /nfs/dbraw/zinc/64/39/82/1046643982.db2.gz IQWPUBVYGIBIKX-ZPJRZJNGSA-N 1 2 332.447 4.480 20 30 EIEDLO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668532 1046643994 /nfs/dbraw/zinc/64/39/94/1046643994.db2.gz IQWPUBVYGIBIKX-ZPJRZJNGSA-N 1 2 332.447 4.480 20 30 EIEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732214 1046730671 /nfs/dbraw/zinc/73/06/71/1046730671.db2.gz YEZJKNGMXLHMHN-IRXDYDNUSA-N 1 2 337.442 4.137 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000497490641 1046825424 /nfs/dbraw/zinc/82/54/24/1046825424.db2.gz VFLXTOZIULYSSM-INIZCTEOSA-N 1 2 339.870 4.090 20 30 EIEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cnn1C(C)(C)C ZINC000787185777 1046937774 /nfs/dbraw/zinc/93/77/74/1046937774.db2.gz ADIHSQCBIRRCHT-SREVYHEPSA-N 1 2 342.830 4.144 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H]2C)cc1 ZINC000746669525 1046980557 /nfs/dbraw/zinc/98/05/57/1046980557.db2.gz DDPWVNLZUFMORE-QZTJIDSGSA-N 1 2 347.462 4.207 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)cc1 ZINC000746669525 1046980544 /nfs/dbraw/zinc/98/05/44/1046980544.db2.gz DDPWVNLZUFMORE-QZTJIDSGSA-N 1 2 347.462 4.207 20 30 EIEDLO COc1cc(NN=Cc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC000788468340 1047196149 /nfs/dbraw/zinc/19/61/49/1047196149.db2.gz SUWBHWZZCAXICP-UHFFFAOYSA-N 1 2 332.816 4.042 20 30 EIEDLO N#CCC1(O)C[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000789554827 1047442789 /nfs/dbraw/zinc/44/27/89/1047442789.db2.gz LTPMRVAQYZSHER-UHFFFAOYSA-N 1 2 336.822 4.107 20 30 EIEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccc(C)cc3)o2)n1 ZINC000789761398 1047468466 /nfs/dbraw/zinc/46/84/66/1047468466.db2.gz BQHHWIBYNBPRQT-UHFFFAOYSA-N 1 2 333.435 4.107 20 30 EIEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccc(C)cc3)o2)n1 ZINC000789761398 1047468472 /nfs/dbraw/zinc/46/84/72/1047468472.db2.gz BQHHWIBYNBPRQT-UHFFFAOYSA-N 1 2 333.435 4.107 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000807592126 1047477494 /nfs/dbraw/zinc/47/74/94/1047477494.db2.gz MUYFESOJNHZXLN-UHFFFAOYSA-N 1 2 332.492 4.215 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000807592126 1047477499 /nfs/dbraw/zinc/47/74/99/1047477499.db2.gz MUYFESOJNHZXLN-UHFFFAOYSA-N 1 2 332.492 4.215 20 30 EIEDLO CCN(C)c1ccc(C=[NH+]OCc2ccc(C(F)(F)F)cc2)cn1 ZINC000790172487 1047530032 /nfs/dbraw/zinc/53/00/32/1047530032.db2.gz PRHFRAOVBFVSDQ-UHFFFAOYSA-N 1 2 337.345 4.107 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168308255 1047812854 /nfs/dbraw/zinc/81/28/54/1047812854.db2.gz GDKXFMMRAMEMCO-SCZZXKLOSA-N 1 2 327.243 4.071 20 30 EIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168308255 1047812855 /nfs/dbraw/zinc/81/28/55/1047812855.db2.gz GDKXFMMRAMEMCO-SCZZXKLOSA-N 1 2 327.243 4.071 20 30 EIEDLO CC#CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000155035102 1047897224 /nfs/dbraw/zinc/89/72/24/1047897224.db2.gz PEZHVHWTXFKNLH-ZDUSSCGKSA-N 1 2 348.903 4.049 20 30 EIEDLO CCC(=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(N)c1 ZINC000814828514 1048187119 /nfs/dbraw/zinc/18/71/19/1048187119.db2.gz GXTHUMNBRLRXQT-UHFFFAOYSA-N 1 2 332.329 4.385 20 30 EIEDLO C[N@@H+](Cc1cc(Cl)sc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371708 1048296745 /nfs/dbraw/zinc/29/67/45/1048296745.db2.gz QQUKEEQMEKKUNR-CYBMUJFWSA-N 1 2 341.263 4.092 20 30 EIEDLO C[N@H+](Cc1cc(Cl)sc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371708 1048296759 /nfs/dbraw/zinc/29/67/59/1048296759.db2.gz QQUKEEQMEKKUNR-CYBMUJFWSA-N 1 2 341.263 4.092 20 30 EIEDLO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000810125661 1048637058 /nfs/dbraw/zinc/63/70/58/1048637058.db2.gz IZZRXMGRNLMNHB-UHFFFAOYSA-N 1 2 329.812 4.218 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCCCOCc2ccccc2)c1O ZINC000747615158 1048829408 /nfs/dbraw/zinc/82/94/08/1048829408.db2.gz RRLHWHJILAKGIS-QNGOZBTKSA-N 1 2 327.424 4.207 20 30 EIEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cccc(Cl)c2F)cc1 ZINC000921137920 1048856953 /nfs/dbraw/zinc/85/69/53/1048856953.db2.gz UBUTXOYGDYTPAR-UHFFFAOYSA-N 1 2 330.794 4.275 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001171230688 1048869728 /nfs/dbraw/zinc/86/97/28/1048869728.db2.gz GCAYSIJQBRTYEI-FOIQADDNSA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001171230688 1048869729 /nfs/dbraw/zinc/86/97/29/1048869729.db2.gz GCAYSIJQBRTYEI-FOIQADDNSA-N 1 2 340.854 4.216 20 30 EIEDLO CC(=[NH+]Nc1ccc(Cl)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000747635750 1048870642 /nfs/dbraw/zinc/87/06/42/1048870642.db2.gz NPOKEOVOPJNFGS-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C=CCCCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000806082173 1049005345 /nfs/dbraw/zinc/00/53/45/1049005345.db2.gz VTJOQWVEDXERPF-GOSISDBHSA-N 1 2 346.519 4.226 20 30 EIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001147171953 1049100303 /nfs/dbraw/zinc/10/03/03/1049100303.db2.gz BWBHVSQBPPAVBB-VQIMIIECSA-N 1 2 348.918 4.413 20 30 EIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001147171953 1049100333 /nfs/dbraw/zinc/10/03/33/1049100333.db2.gz BWBHVSQBPPAVBB-VQIMIIECSA-N 1 2 348.918 4.413 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(C(C)(C)C)c1C)c1ccc(Cl)cc1 ZINC000811516094 1049100503 /nfs/dbraw/zinc/10/05/03/1049100503.db2.gz FDALTDSIVYNSLD-GOSISDBHSA-N 1 2 329.875 4.372 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(Cl)cc1 ZINC000811517327 1049104341 /nfs/dbraw/zinc/10/43/41/1049104341.db2.gz OJJJAUJUTZTPOG-HXUWFJFHSA-N 1 2 335.838 4.298 20 30 EIEDLO Nc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c[nH+]1 ZINC000821032039 1049592141 /nfs/dbraw/zinc/59/21/41/1049592141.db2.gz QCXHSCYDXFGXSD-RJRFIUFISA-N 1 2 343.180 4.069 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812795418 1049592558 /nfs/dbraw/zinc/59/25/58/1049592558.db2.gz WKIGLEAFIPQGLA-MRXNPFEDSA-N 1 2 325.280 4.448 20 30 EIEDLO Nc1c(Cl)cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1Cl ZINC000773161420 1049621844 /nfs/dbraw/zinc/62/18/44/1049621844.db2.gz RTGWVKGVAUBYJV-SNAWJCMRSA-N 1 2 332.190 4.119 20 30 EIEDLO Nc1c(Cl)cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1Cl ZINC000773161321 1049621911 /nfs/dbraw/zinc/62/19/11/1049621911.db2.gz PTLVIWQESPKZLH-SNAWJCMRSA-N 1 2 332.190 4.119 20 30 EIEDLO C=C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)c1ccccc1 ZINC001136624761 1049792624 /nfs/dbraw/zinc/79/26/24/1049792624.db2.gz ITEYQKADJNTKPN-KRWDZBQOSA-N 1 2 331.419 4.479 20 30 EIEDLO C=CCOc1ccccc1C[NH2+]Cc1nccc(C)c1Br ZINC001177875201 1050309401 /nfs/dbraw/zinc/30/94/01/1050309401.db2.gz FRJIBLPORQUFJK-UHFFFAOYSA-N 1 2 347.256 4.007 20 30 EIEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412375 1050448322 /nfs/dbraw/zinc/44/83/22/1050448322.db2.gz CBTYJCKFNCWUGD-UHFFFAOYSA-N 1 2 346.833 4.231 20 30 EIEDLO C=C1CC[NH+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC001180006831 1050853655 /nfs/dbraw/zinc/85/36/55/1050853655.db2.gz KUFRBRFZCMZZMX-UHFFFAOYSA-N 1 2 337.398 4.418 20 30 EIEDLO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001189254779 1050939959 /nfs/dbraw/zinc/93/99/59/1050939959.db2.gz CNJCPWMQMFCTJZ-UHFFFAOYSA-N 1 2 334.423 4.424 20 30 EIEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1N1CCCC1 ZINC001174522874 1051055113 /nfs/dbraw/zinc/05/51/13/1051055113.db2.gz DQSGFQLVGMKWQX-UHFFFAOYSA-N 1 2 347.466 4.287 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154336 1051092722 /nfs/dbraw/zinc/09/27/22/1051092722.db2.gz SUUKAWPUJRVMFU-FCHUYYIVSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154336 1051092736 /nfs/dbraw/zinc/09/27/36/1051092736.db2.gz SUUKAWPUJRVMFU-FCHUYYIVSA-N 1 2 342.446 4.144 20 30 EIEDLO CCCCCCC[C@H](C)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001181121692 1051158221 /nfs/dbraw/zinc/15/82/21/1051158221.db2.gz HCNSHLLNVVOZNG-KRWDZBQOSA-N 1 2 345.531 4.452 20 30 EIEDLO C#C[C@@H](CC)[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001181578175 1051258656 /nfs/dbraw/zinc/25/86/56/1051258656.db2.gz YBQFIFHLGPFRDE-QMMMGPOBSA-N 1 2 338.142 4.108 20 30 EIEDLO C=CCC[C@H]([NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OCC ZINC001181827684 1051322347 /nfs/dbraw/zinc/32/23/47/1051322347.db2.gz NOFLIXLKEPXBPU-BBRMVZONSA-N 1 2 343.389 4.296 20 30 EIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(OC(F)(F)F)c1 ZINC001175352176 1051543250 /nfs/dbraw/zinc/54/32/50/1051543250.db2.gz LMPOLWGUYXOWSP-UHFFFAOYSA-N 1 2 348.328 4.196 20 30 EIEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC001175712938 1051733997 /nfs/dbraw/zinc/73/39/97/1051733997.db2.gz NZNBTCLHFBSTEK-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001192939266 1051842064 /nfs/dbraw/zinc/84/20/64/1051842064.db2.gz ZBCHSZUDFJSWOF-HKUYNNGSSA-N 1 2 347.503 4.383 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+][C@H](Cc1ccccc1)c1ccccn1 ZINC001184153273 1051954260 /nfs/dbraw/zinc/95/42/60/1051954260.db2.gz CWSKKJXENYNNEZ-OAQYLSRUSA-N 1 2 331.394 4.166 20 30 EIEDLO CCc1ccc(C#CC(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)cc1 ZINC001176220947 1051962819 /nfs/dbraw/zinc/96/28/19/1051962819.db2.gz YBXUBZLAJNPSCO-UHFFFAOYSA-N 1 2 343.430 4.246 20 30 EIEDLO N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185042814 1052160806 /nfs/dbraw/zinc/16/08/06/1052160806.db2.gz KDGCBBCPNGKELO-UHFFFAOYSA-N 1 2 348.328 4.196 20 30 EIEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623917931 1052837499 /nfs/dbraw/zinc/83/74/99/1052837499.db2.gz CJHCQGPWXYFUNM-AWEZNQCLSA-N 1 2 336.382 4.181 20 30 EIEDLO CCCCCCCOc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850351390 1053125116 /nfs/dbraw/zinc/12/51/16/1053125116.db2.gz AXLILUAADXBGSL-APWZRJJASA-N 1 2 342.487 4.423 20 30 EIEDLO CC(C)Cc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794695856 1053320457 /nfs/dbraw/zinc/32/04/57/1053320457.db2.gz QCPIZFKHZKSYTO-KTKRTIGZSA-N 1 2 328.481 4.299 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000794699704 1053323193 /nfs/dbraw/zinc/32/31/93/1053323193.db2.gz NWYJUYARFRXOMF-FPLPWBNLSA-N 1 2 340.370 4.120 20 30 EIEDLO FC(F)(F)CO[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000764845886 1053337358 /nfs/dbraw/zinc/33/73/58/1053337358.db2.gz BBJJKLMWHUAFCI-UHFFFAOYSA-N 1 2 337.345 4.138 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000764867208 1053345999 /nfs/dbraw/zinc/34/59/99/1053345999.db2.gz YFLANKJWRJFMNT-UHFFFAOYSA-N 1 2 334.514 4.160 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000764867208 1053346026 /nfs/dbraw/zinc/34/60/26/1053346026.db2.gz YFLANKJWRJFMNT-UHFFFAOYSA-N 1 2 334.514 4.160 20 30 EIEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1ncc(C[NH+](C)C)s1 ZINC000794711804 1053347433 /nfs/dbraw/zinc/34/74/33/1053347433.db2.gz FCIVYZOYCTXLFP-QJKHOBJASA-N 1 2 326.465 4.224 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765049485 1053430423 /nfs/dbraw/zinc/43/04/23/1053430423.db2.gz QWNNFCCZAAWSLH-HZPDHXFCSA-N 1 2 342.512 4.121 20 30 EIEDLO Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(Br)c1 ZINC001137802945 1053471287 /nfs/dbraw/zinc/47/12/87/1053471287.db2.gz QKVPUQXAHPIART-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(Br)c1 ZINC001137802945 1053471296 /nfs/dbraw/zinc/47/12/96/1053471296.db2.gz QKVPUQXAHPIART-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO C=CCCOCCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000775672251 1053487605 /nfs/dbraw/zinc/48/76/05/1053487605.db2.gz JFKHAQXDPVADSO-UHFFFAOYSA-N 1 2 341.455 4.395 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000852330160 1053570556 /nfs/dbraw/zinc/57/05/56/1053570556.db2.gz AXQFGYKYRBJAJL-AZUAARDMSA-N 1 2 337.854 4.280 20 30 EIEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000852330160 1053570572 /nfs/dbraw/zinc/57/05/72/1053570572.db2.gz AXQFGYKYRBJAJL-AZUAARDMSA-N 1 2 337.854 4.280 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(O[C@H](C#N)CC)c1 ZINC000853334059 1053669067 /nfs/dbraw/zinc/66/90/67/1053669067.db2.gz ZTAAEAQUXKCLAL-SFHVURJKSA-N 1 2 349.434 4.167 20 30 EIEDLO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1O ZINC000866267908 1053669459 /nfs/dbraw/zinc/66/94/59/1053669459.db2.gz ILZXEKMPVPKYFS-QRWLVFNGSA-N 1 2 336.435 4.082 20 30 EIEDLO COCCCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866352401 1053700231 /nfs/dbraw/zinc/70/02/31/1053700231.db2.gz QBPRICSGHXQZOV-UZLBHIALSA-N 1 2 338.451 4.472 20 30 EIEDLO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc(C#N)c1O ZINC000866360337 1053705079 /nfs/dbraw/zinc/70/50/79/1053705079.db2.gz DRZZJXBRSNZNFG-VFNWGFHPSA-N 1 2 348.446 4.009 20 30 EIEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(OC)c1OC ZINC000866508966 1053757329 /nfs/dbraw/zinc/75/73/29/1053757329.db2.gz TVNUWGBYDIVGKJ-DYVFJYSZSA-N 1 2 340.423 4.083 20 30 EIEDLO N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776832168 1053975416 /nfs/dbraw/zinc/97/54/16/1053975416.db2.gz DPAOTEXDKYRONF-UHFFFAOYSA-N 1 2 344.399 4.187 20 30 EIEDLO C=C(Br)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779815 1054108631 /nfs/dbraw/zinc/10/86/31/1054108631.db2.gz ADDTXTVRMYTVPF-ZETCQYMHSA-N 1 2 343.574 4.313 20 30 EIEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490462 1054162925 /nfs/dbraw/zinc/16/29/25/1054162925.db2.gz KCWYSINMNWETEQ-GDBMZVCRSA-N 1 2 341.480 4.096 20 30 EIEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490462 1054162933 /nfs/dbraw/zinc/16/29/33/1054162933.db2.gz KCWYSINMNWETEQ-GDBMZVCRSA-N 1 2 341.480 4.096 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000775873036 1054191999 /nfs/dbraw/zinc/19/19/99/1054191999.db2.gz YNYACEQASRSUEK-UHFFFAOYSA-N 1 2 338.838 4.290 20 30 EIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000775873036 1054192008 /nfs/dbraw/zinc/19/20/08/1054192008.db2.gz YNYACEQASRSUEK-UHFFFAOYSA-N 1 2 338.838 4.290 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000078961850 1054426054 /nfs/dbraw/zinc/42/60/54/1054426054.db2.gz UOXKPAKINQKUSJ-QGZVFWFLSA-N 1 2 341.480 4.068 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000078961850 1054426060 /nfs/dbraw/zinc/42/60/60/1054426060.db2.gz UOXKPAKINQKUSJ-QGZVFWFLSA-N 1 2 341.480 4.068 20 30 EIEDLO COc1ccc2[nH]cc(C(=O)/C=C/c3c[nH+]c4c(C)cccn34)c2c1 ZINC000125376905 1054781650 /nfs/dbraw/zinc/78/16/50/1054781650.db2.gz CQOWBMNCVIYSPW-VMPITWQZSA-N 1 2 331.375 4.029 20 30 EIEDLO CC(C)[NH2+]c1ccc(Nc2cc(Br)cnc2C#N)cc1 ZINC001201486878 1054814924 /nfs/dbraw/zinc/81/49/24/1054814924.db2.gz AQSNOOASAPRXTI-UHFFFAOYSA-N 1 2 331.217 4.280 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)[nH+]c1C ZINC000921653506 1055494321 /nfs/dbraw/zinc/49/43/21/1055494321.db2.gz CGNOANFIPHMKQI-HXUWFJFHSA-N 1 2 334.423 4.106 20 30 EIEDLO N#Cc1cnc2ccccc2c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301351384 1055924633 /nfs/dbraw/zinc/92/46/33/1055924633.db2.gz IXCCQBBHNUFDRS-UHFFFAOYSA-N 1 2 343.434 4.104 20 30 EIEDLO N#Cc1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cs1 ZINC000921878682 1056800399 /nfs/dbraw/zinc/80/03/99/1056800399.db2.gz NKYHRRQQMWSHFU-UHFFFAOYSA-N 1 2 334.448 4.432 20 30 EIEDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943849 1056825055 /nfs/dbraw/zinc/82/50/55/1056825055.db2.gz RENZSOWYVSAJNY-CQSZACIVSA-N 1 2 344.418 4.336 20 30 EIEDLO Cc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)c2ccccc2n1 ZINC000742353136 1058567790 /nfs/dbraw/zinc/56/77/90/1058567790.db2.gz RADLXBWULBWUHJ-UHFFFAOYSA-N 1 2 325.799 4.034 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000742381790 1058585825 /nfs/dbraw/zinc/58/58/25/1058585825.db2.gz JQZLAAZWBMXBQJ-UHFFFAOYSA-N 1 2 329.425 4.172 20 30 EIEDLO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001168826270 1060436599 /nfs/dbraw/zinc/43/65/99/1060436599.db2.gz RTLOZPIECSIVKN-KRWDZBQOSA-N 1 2 327.359 4.155 20 30 EIEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC001169072913 1060630640 /nfs/dbraw/zinc/63/06/40/1060630640.db2.gz PITHGLRPHDGDOF-ZDUSSCGKSA-N 1 2 334.448 4.236 20 30 EIEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000766665007 1060774563 /nfs/dbraw/zinc/77/45/63/1060774563.db2.gz BBELGPRENBFDNK-VIFPVBQESA-N 1 2 330.400 4.362 20 30 EIEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(C(F)(F)F)ccc2sc1=S ZINC000766665007 1060774576 /nfs/dbraw/zinc/77/45/76/1060774576.db2.gz BBELGPRENBFDNK-VIFPVBQESA-N 1 2 330.400 4.362 20 30 EIEDLO N#CC12CCC([NH2+]c3ccc4c(c3)C3(CN4)CCOCC3)(CC1)CC2 ZINC001169750582 1060929656 /nfs/dbraw/zinc/92/96/56/1060929656.db2.gz HCHULPMXDSDZBI-UHFFFAOYSA-N 1 2 337.467 4.189 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000459377497 1032117536 /nfs/dbraw/zinc/11/75/36/1032117536.db2.gz OVALGOZUSRCRIX-KRWDZBQOSA-N 1 2 325.368 4.177 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000459377497 1032117554 /nfs/dbraw/zinc/11/75/54/1032117554.db2.gz OVALGOZUSRCRIX-KRWDZBQOSA-N 1 2 325.368 4.177 20 30 EIEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459378007 1032128473 /nfs/dbraw/zinc/12/84/73/1032128473.db2.gz PCTYKYUQXDUJHJ-MRXNPFEDSA-N 1 2 327.409 4.174 20 30 EIEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459378007 1032128478 /nfs/dbraw/zinc/12/84/78/1032128478.db2.gz PCTYKYUQXDUJHJ-MRXNPFEDSA-N 1 2 327.409 4.174 20 30 EIEDLO C=CCCCCCN(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000610068947 1032245033 /nfs/dbraw/zinc/24/50/33/1032245033.db2.gz ANXAJJJXLGXVCT-UHFFFAOYSA-N 1 2 345.512 4.081 20 30 EIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccco1 ZINC000187302684 1019462618 /nfs/dbraw/zinc/46/26/18/1019462618.db2.gz BHCBZFWSAOGPTO-UHFFFAOYSA-N 1 2 326.425 4.028 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Br)s1 ZINC000254969109 1019652154 /nfs/dbraw/zinc/65/21/54/1019652154.db2.gz XSCYRGMBZNBNAN-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000175451824 1020312757 /nfs/dbraw/zinc/31/27/57/1020312757.db2.gz OPWRQPNYIKQKET-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000175451824 1020312770 /nfs/dbraw/zinc/31/27/70/1020312770.db2.gz OPWRQPNYIKQKET-SFHVURJKSA-N 1 2 346.352 4.151 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C(=O)OC)c(CC)o1)c1ccc(F)c(F)c1 ZINC000549377068 1022131095 /nfs/dbraw/zinc/13/10/95/1022131095.db2.gz CMDCDTJKRBZZLK-SFHVURJKSA-N 1 2 349.377 4.314 20 30 EIEDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181205142 1022892286 /nfs/dbraw/zinc/89/22/86/1022892286.db2.gz WBGWHRZUOSQRGC-KRWDZBQOSA-N 1 2 344.256 4.299 20 30 EIEDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181205142 1022892288 /nfs/dbraw/zinc/89/22/88/1022892288.db2.gz WBGWHRZUOSQRGC-KRWDZBQOSA-N 1 2 344.256 4.299 20 30 EIEDLO N#C[C@@H]1[N@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925179 1022976219 /nfs/dbraw/zinc/97/62/19/1022976219.db2.gz JCYYCCAOXBLXPL-GQGLESIBSA-N 1 2 344.421 4.282 20 30 EIEDLO N#C[C@@H]1[N@@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925179 1022976228 /nfs/dbraw/zinc/97/62/28/1022976228.db2.gz JCYYCCAOXBLXPL-GQGLESIBSA-N 1 2 344.421 4.282 20 30 EIEDLO N#C[C@H]1[N@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925175 1022978276 /nfs/dbraw/zinc/97/82/76/1022978276.db2.gz JCYYCCAOXBLXPL-BACDZXNISA-N 1 2 344.421 4.282 20 30 EIEDLO N#C[C@H]1[N@@H+](CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925175 1022978310 /nfs/dbraw/zinc/97/83/10/1022978310.db2.gz JCYYCCAOXBLXPL-BACDZXNISA-N 1 2 344.421 4.282 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712452 1023226600 /nfs/dbraw/zinc/22/66/00/1023226600.db2.gz XTRVTNKIIFHAFZ-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712452 1023226612 /nfs/dbraw/zinc/22/66/12/1023226612.db2.gz XTRVTNKIIFHAFZ-LBPRGKRZSA-N 1 2 336.407 4.042 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccn1 ZINC000376817731 1023319402 /nfs/dbraw/zinc/31/94/02/1023319402.db2.gz FDOCHCVIZHSGNT-KGLIPLIRSA-N 1 2 334.448 4.489 20 30 EIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Br)s1 ZINC000255323610 1023372075 /nfs/dbraw/zinc/37/20/75/1023372075.db2.gz FYXHZRWEEQRABU-PLNGDYQASA-N 1 2 333.210 4.054 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000053603739 1023662470 /nfs/dbraw/zinc/66/24/70/1023662470.db2.gz RURXXLXJZPANIB-LBPRGKRZSA-N 1 2 333.229 4.443 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000053603739 1023662474 /nfs/dbraw/zinc/66/24/74/1023662474.db2.gz RURXXLXJZPANIB-LBPRGKRZSA-N 1 2 333.229 4.443 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000162791650 1023830256 /nfs/dbraw/zinc/83/02/56/1023830256.db2.gz IVWFSCVWYUEAJV-NRFANRHFSA-N 1 2 339.913 4.327 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000162791650 1023830259 /nfs/dbraw/zinc/83/02/59/1023830259.db2.gz IVWFSCVWYUEAJV-NRFANRHFSA-N 1 2 339.913 4.327 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)o1 ZINC000510625083 1024112277 /nfs/dbraw/zinc/11/22/77/1024112277.db2.gz PVAHZEKXQMBWJM-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)o1 ZINC000510625083 1024112287 /nfs/dbraw/zinc/11/22/87/1024112287.db2.gz PVAHZEKXQMBWJM-INIZCTEOSA-N 1 2 331.213 4.251 20 30 EIEDLO CCSc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000473137173 1024364107 /nfs/dbraw/zinc/36/41/07/1024364107.db2.gz CSQCVVSYZJZOJO-FQEVSTJZSA-N 1 2 338.476 4.244 20 30 EIEDLO CCSc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000473137173 1024364134 /nfs/dbraw/zinc/36/41/34/1024364134.db2.gz CSQCVVSYZJZOJO-FQEVSTJZSA-N 1 2 338.476 4.244 20 30 EIEDLO N#CC1CC[NH+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 ZINC000893983811 1033229882 /nfs/dbraw/zinc/22/98/82/1033229882.db2.gz GCDHAAAYPDMOEQ-UHFFFAOYSA-N 1 2 345.805 4.402 20 30 EIEDLO C[C@H]([NH2+]Cc1ccsc1Br)c1ccc(C#N)cc1F ZINC000510986102 1025004972 /nfs/dbraw/zinc/00/49/72/1025004972.db2.gz OKKZMQMTMMGOQX-VIFPVBQESA-N 1 2 339.233 4.372 20 30 EIEDLO N#CCC1CC[NH+](Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143432888 1025931831 /nfs/dbraw/zinc/93/18/31/1025931831.db2.gz JNLPAMGJVVFYDN-UHFFFAOYSA-N 1 2 332.753 4.364 20 30 EIEDLO C[C@@H](c1ccsc1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724501 1026313241 /nfs/dbraw/zinc/31/32/41/1026313241.db2.gz UYMQXXBUCJWDKH-HOTGVXAUSA-N 1 2 325.481 4.060 20 30 EIEDLO N#Cc1c(F)cccc1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000427420579 1026847947 /nfs/dbraw/zinc/84/79/47/1026847947.db2.gz LTGVKPUKVFZUEI-UHFFFAOYSA-N 1 2 344.393 4.225 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)o1 ZINC000158634298 1026862275 /nfs/dbraw/zinc/86/22/75/1026862275.db2.gz FKIGRADYLISIHY-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)o1 ZINC000158634298 1026862277 /nfs/dbraw/zinc/86/22/77/1026862277.db2.gz FKIGRADYLISIHY-MRXNPFEDSA-N 1 2 331.213 4.251 20 30 EIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000046518209 1026900974 /nfs/dbraw/zinc/90/09/74/1026900974.db2.gz VQWMJIJHALIVSF-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000046518209 1026900984 /nfs/dbraw/zinc/90/09/84/1026900984.db2.gz VQWMJIJHALIVSF-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000076989056 1027127135 /nfs/dbraw/zinc/12/71/35/1027127135.db2.gz RVTHAWQGOZUUGU-INIZCTEOSA-N 1 2 345.855 4.049 20 30 EIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000076989056 1027127155 /nfs/dbraw/zinc/12/71/55/1027127155.db2.gz RVTHAWQGOZUUGU-INIZCTEOSA-N 1 2 345.855 4.049 20 30 EIEDLO COc1ccccc1-c1nc(C[N@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000046527005 1027253947 /nfs/dbraw/zinc/25/39/47/1027253947.db2.gz AAFLXTMSIUSADX-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1ccccc1-c1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000046527005 1027253974 /nfs/dbraw/zinc/25/39/74/1027253974.db2.gz AAFLXTMSIUSADX-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000428300730 1027443128 /nfs/dbraw/zinc/44/31/28/1027443128.db2.gz ZXKWEAULYSHEHH-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc(C)c1OCc1ccccn1 ZINC000896504201 1027528768 /nfs/dbraw/zinc/52/87/68/1027528768.db2.gz CPXLTAGRVCEYII-GOSISDBHSA-N 1 2 335.451 4.013 20 30 EIEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc(C)c1OCc1ccccn1 ZINC000896504201 1027528780 /nfs/dbraw/zinc/52/87/80/1027528780.db2.gz CPXLTAGRVCEYII-GOSISDBHSA-N 1 2 335.451 4.013 20 30 EIEDLO COc1c(C)cc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1C ZINC000331347665 1027960926 /nfs/dbraw/zinc/96/09/26/1027960926.db2.gz WTYTVNBUZNXIKG-UHFFFAOYSA-N 1 2 341.455 4.310 20 30 EIEDLO CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237833 1028232461 /nfs/dbraw/zinc/23/24/61/1028232461.db2.gz HSWXGZFTBYBCQO-QWHCGFSZSA-N 1 2 331.485 4.349 20 30 EIEDLO CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237833 1028232474 /nfs/dbraw/zinc/23/24/74/1028232474.db2.gz HSWXGZFTBYBCQO-QWHCGFSZSA-N 1 2 331.485 4.349 20 30 EIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000523638870 1028291306 /nfs/dbraw/zinc/29/13/06/1028291306.db2.gz IXPLCAFUBGIHPJ-IFXJQAMLSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000523638870 1028291322 /nfs/dbraw/zinc/29/13/22/1028291322.db2.gz IXPLCAFUBGIHPJ-IFXJQAMLSA-N 1 2 326.827 4.174 20 30 EIEDLO C=CCOC(=O)c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1 ZINC001213089091 1028846525 /nfs/dbraw/zinc/84/65/25/1028846525.db2.gz TWJNRHWIYCODDS-UHFFFAOYSA-N 1 2 337.354 4.302 20 30 EIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nccn1-c1ccccc1 ZINC000347158858 1028895930 /nfs/dbraw/zinc/89/59/30/1028895930.db2.gz FJGCZFGVZDVQMI-GJZGRUSLSA-N 1 2 334.398 4.295 20 30 EIEDLO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(C(F)(F)F)c1 ZINC001143450829 1029087095 /nfs/dbraw/zinc/08/70/95/1029087095.db2.gz KXSQQSBJWYWBAL-UHFFFAOYSA-N 1 2 330.353 4.444 20 30 EIEDLO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(C(F)(F)F)c1 ZINC001143450829 1029087109 /nfs/dbraw/zinc/08/71/09/1029087109.db2.gz KXSQQSBJWYWBAL-UHFFFAOYSA-N 1 2 330.353 4.444 20 30 EIEDLO C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1cccc(C#N)c1 ZINC000522945353 1029122446 /nfs/dbraw/zinc/12/24/46/1029122446.db2.gz OZTCGHKCILQIOB-UHFFFAOYSA-N 1 2 345.233 4.145 20 30 EIEDLO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1cccc(C#N)c1 ZINC000522945353 1029122453 /nfs/dbraw/zinc/12/24/53/1029122453.db2.gz OZTCGHKCILQIOB-UHFFFAOYSA-N 1 2 345.233 4.145 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2nc1C ZINC000063381283 1029793519 /nfs/dbraw/zinc/79/35/19/1029793519.db2.gz LDFPDCRWNDESNF-UHFFFAOYSA-N 1 2 348.406 4.035 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2nc1C ZINC000063381283 1029793531 /nfs/dbraw/zinc/79/35/31/1029793531.db2.gz LDFPDCRWNDESNF-UHFFFAOYSA-N 1 2 348.406 4.035 20 30 EIEDLO C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181628771 1029902492 /nfs/dbraw/zinc/90/24/92/1029902492.db2.gz QOJPVHXSZPAJGE-DNVCBOLYSA-N 1 2 349.459 4.486 20 30 EIEDLO COc1ccc(C[C@@H](C)C[N@H+](CCC#N)Cc2ccco2)cc1F ZINC000185234285 1030133609 /nfs/dbraw/zinc/13/36/09/1030133609.db2.gz HONJFZGSTZYDPI-OAHLLOKOSA-N 1 2 330.403 4.022 20 30 EIEDLO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)Cc2ccco2)cc1F ZINC000185234285 1030133625 /nfs/dbraw/zinc/13/36/25/1030133625.db2.gz HONJFZGSTZYDPI-OAHLLOKOSA-N 1 2 330.403 4.022 20 30 EIEDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447539621 1030144947 /nfs/dbraw/zinc/14/49/47/1030144947.db2.gz HINQZUFJYWRNSE-VQTJNVASSA-N 1 2 348.425 4.261 20 30 EIEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)Cc1ccccc1N1CCCC1 ZINC000480530905 1030167912 /nfs/dbraw/zinc/16/79/12/1030167912.db2.gz PQOAWTIJCHLIFL-UHFFFAOYSA-N 1 2 339.870 4.444 20 30 EIEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)Cc1ccccc1N1CCCC1 ZINC000480530905 1030167924 /nfs/dbraw/zinc/16/79/24/1030167924.db2.gz PQOAWTIJCHLIFL-UHFFFAOYSA-N 1 2 339.870 4.444 20 30 EIEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186057787 1030245416 /nfs/dbraw/zinc/24/54/16/1030245416.db2.gz WMXUESFCBBJKDM-KRWDZBQOSA-N 1 2 343.430 4.006 20 30 EIEDLO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191111 1030545270 /nfs/dbraw/zinc/54/52/70/1030545270.db2.gz MBDMMIDEOLFGMI-ZWKOTPCHSA-N 1 2 349.478 4.007 20 30 EIEDLO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(C2CCCCC2)n1 ZINC000346131270 1031082605 /nfs/dbraw/zinc/08/26/05/1031082605.db2.gz AIDGGNKQQQGNOG-UHFFFAOYSA-N 1 2 340.446 4.111 20 30 EIEDLO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(C2CCCCC2)n1 ZINC000346131270 1031082623 /nfs/dbraw/zinc/08/26/23/1031082623.db2.gz AIDGGNKQQQGNOG-UHFFFAOYSA-N 1 2 340.446 4.111 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2nc(C(C)(C)C)cs2)c1 ZINC000729641682 1031842194 /nfs/dbraw/zinc/84/21/94/1031842194.db2.gz SJKHGSTZYWWHIV-YBFXNURJSA-N 1 2 332.469 4.207 20 30 EIEDLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000509767728 1033403060 /nfs/dbraw/zinc/40/30/60/1033403060.db2.gz WCTSFDJXOZOBQP-KRWDZBQOSA-N 1 2 344.462 4.439 20 30 EIEDLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000509767728 1033403070 /nfs/dbraw/zinc/40/30/70/1033403070.db2.gz WCTSFDJXOZOBQP-KRWDZBQOSA-N 1 2 344.462 4.439 20 30 EIEDLO C=CC[N@@H+](Cc1cccnc1C)Cc1cc(Br)ccc1F ZINC000512634063 1033573222 /nfs/dbraw/zinc/57/32/22/1033573222.db2.gz QKMOXDXJVGMRRV-UHFFFAOYSA-N 1 2 349.247 4.480 20 30 EIEDLO C=CC[N@H+](Cc1cccnc1C)Cc1cc(Br)ccc1F ZINC000512634063 1033573236 /nfs/dbraw/zinc/57/32/36/1033573236.db2.gz QKMOXDXJVGMRRV-UHFFFAOYSA-N 1 2 349.247 4.480 20 30 EIEDLO CCS[C@@H](C)c1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433007504 1033642148 /nfs/dbraw/zinc/64/21/48/1033642148.db2.gz ACFYNMKWORZSLA-GOEBONIOSA-N 1 2 344.484 4.408 20 30 EIEDLO CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673189 1033680798 /nfs/dbraw/zinc/68/07/98/1033680798.db2.gz PGLQWQDYZSGXQR-KDOFPFPSSA-N 1 2 329.419 4.024 20 30 EIEDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](C)C#N ZINC000509814829 1034044079 /nfs/dbraw/zinc/04/40/79/1034044079.db2.gz WFKSBUMGZIIGMU-GFCCVEGCSA-N 1 2 347.802 4.490 20 30 EIEDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](C)C#N ZINC000509814829 1034044099 /nfs/dbraw/zinc/04/40/99/1034044099.db2.gz WFKSBUMGZIIGMU-GFCCVEGCSA-N 1 2 347.802 4.490 20 30 EIEDLO CCCCCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729409586 1034814117 /nfs/dbraw/zinc/81/41/17/1034814117.db2.gz JTJIKNINSBTDGK-QGZVFWFLSA-N 1 2 332.488 4.379 20 30 EIEDLO CCO[C@H](C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000595636572 1035742546 /nfs/dbraw/zinc/74/25/46/1035742546.db2.gz RAGHYWYZGOUHEH-CYBMUJFWSA-N 1 2 329.469 4.137 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889541 1035802189 /nfs/dbraw/zinc/80/21/89/1035802189.db2.gz JFKRUDKWQNRBMB-CZUORRHYSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889541 1035802191 /nfs/dbraw/zinc/80/21/91/1035802191.db2.gz JFKRUDKWQNRBMB-CZUORRHYSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889540 1035803141 /nfs/dbraw/zinc/80/31/41/1035803141.db2.gz JFKRUDKWQNRBMB-CJNGLKHVSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889540 1035803145 /nfs/dbraw/zinc/80/31/45/1035803145.db2.gz JFKRUDKWQNRBMB-CJNGLKHVSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000597230931 1036167229 /nfs/dbraw/zinc/16/72/29/1036167229.db2.gz VAZISLYFUFSIDZ-FQEVSTJZSA-N 1 2 348.475 4.336 20 30 EIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000597230931 1036167246 /nfs/dbraw/zinc/16/72/46/1036167246.db2.gz VAZISLYFUFSIDZ-FQEVSTJZSA-N 1 2 348.475 4.336 20 30 EIEDLO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCC3(F)F)c2)c1 ZINC000588929951 1036608932 /nfs/dbraw/zinc/60/89/32/1036608932.db2.gz DQQQXYHYIKIJSX-IBGZPJMESA-N 1 2 342.389 4.415 20 30 EIEDLO COc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1OCCCC#N ZINC000588934470 1036609613 /nfs/dbraw/zinc/60/96/13/1036609613.db2.gz ZVVZNAAOQLTJMN-UHFFFAOYSA-N 1 2 338.398 4.045 20 30 EIEDLO N#Cc1c(Cl)cccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000603866448 1037061163 /nfs/dbraw/zinc/06/11/63/1037061163.db2.gz WESHCOACINMDFA-UHFFFAOYSA-N 1 2 326.831 4.209 20 30 EIEDLO C=CCc1cc(C)c[nH+]c1NC1(c2ccc(C(F)(F)F)cc2)COC1 ZINC001168375276 1037902695 /nfs/dbraw/zinc/90/26/95/1037902695.db2.gz HPJSIGCNUULPEV-UHFFFAOYSA-N 1 2 348.368 4.475 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Br ZINC000046529299 1038289837 /nfs/dbraw/zinc/28/98/37/1038289837.db2.gz AHFNTFURCFEUJQ-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Br ZINC000046529299 1038289854 /nfs/dbraw/zinc/28/98/54/1038289854.db2.gz AHFNTFURCFEUJQ-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Cl)cc2Cl)nn1 ZINC000424135437 1038629899 /nfs/dbraw/zinc/62/98/99/1038629899.db2.gz JLMNWUNVDSYBFQ-OAHLLOKOSA-N 1 2 325.243 4.012 20 30 EIEDLO CCCCCCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174201628 1038865797 /nfs/dbraw/zinc/86/57/97/1038865797.db2.gz UPHVMBOFKJBDJQ-UHFFFAOYSA-N 1 2 345.531 4.198 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cccs1 ZINC000120113907 1039042741 /nfs/dbraw/zinc/04/27/41/1039042741.db2.gz XVFJQQVOSTWCLK-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cccs1 ZINC000120113907 1039042752 /nfs/dbraw/zinc/04/27/52/1039042752.db2.gz XVFJQQVOSTWCLK-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO C=CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000128535448 1039194697 /nfs/dbraw/zinc/19/46/97/1039194697.db2.gz UUWICSCVCZSFKP-GFCCVEGCSA-N 1 2 336.892 4.212 20 30 EIEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC2(C)C)cc1OC ZINC000537633393 1039261736 /nfs/dbraw/zinc/26/17/36/1039261736.db2.gz NUCMZMJPSXDZJK-UHFFFAOYSA-N 1 2 340.261 4.007 20 30 EIEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC2(C)C)cc1OC ZINC000537633393 1039261746 /nfs/dbraw/zinc/26/17/46/1039261746.db2.gz NUCMZMJPSXDZJK-UHFFFAOYSA-N 1 2 340.261 4.007 20 30 EIEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550940054 1039833553 /nfs/dbraw/zinc/83/35/53/1039833553.db2.gz VOHAAEWTTRZSCR-NJAFHUGGSA-N 1 2 339.426 4.351 20 30 EIEDLO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc(OC)c1O ZINC000430107881 1039848995 /nfs/dbraw/zinc/84/89/95/1039848995.db2.gz UZEPFQQKLGHTMJ-FQEVSTJZSA-N 1 2 338.451 4.107 20 30 EIEDLO C=CCc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc(OC)c1O ZINC000430107881 1039848996 /nfs/dbraw/zinc/84/89/96/1039848996.db2.gz UZEPFQQKLGHTMJ-FQEVSTJZSA-N 1 2 338.451 4.107 20 30 EIEDLO C=CCC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000425316354 1040232511 /nfs/dbraw/zinc/23/25/11/1040232511.db2.gz PQHHWSPGJKDZTB-SFHVURJKSA-N 1 2 337.467 4.184 20 30 EIEDLO C=C(C)C[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435337098 1040291873 /nfs/dbraw/zinc/29/18/73/1040291873.db2.gz SFWYVWYWCIDXJZ-INIZCTEOSA-N 1 2 345.874 4.168 20 30 EIEDLO C=CC(C)(C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000898461109 1040888434 /nfs/dbraw/zinc/88/84/34/1040888434.db2.gz ZZRKWYXGPOOIMW-UHFFFAOYSA-N 1 2 343.496 4.499 20 30 EIEDLO COc1cc[nH+]c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1 ZINC000425530673 1041164434 /nfs/dbraw/zinc/16/44/34/1041164434.db2.gz FYCQWQADDRPDMV-CYBMUJFWSA-N 1 2 349.356 4.023 20 30 EIEDLO CSc1cc(Br)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000538762151 1041534676 /nfs/dbraw/zinc/53/46/76/1041534676.db2.gz AJZRTEUESFKPCL-NSHDSACASA-N 1 2 339.302 4.295 20 30 EIEDLO CSc1cc(Br)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000538762151 1041534687 /nfs/dbraw/zinc/53/46/87/1041534687.db2.gz AJZRTEUESFKPCL-NSHDSACASA-N 1 2 339.302 4.295 20 30 EIEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437410252 1041791645 /nfs/dbraw/zinc/79/16/45/1041791645.db2.gz SZCZKFFLLXJYIJ-NSHDSACASA-N 1 2 334.391 4.340 20 30 EIEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437410252 1041791650 /nfs/dbraw/zinc/79/16/50/1041791650.db2.gz SZCZKFFLLXJYIJ-NSHDSACASA-N 1 2 334.391 4.340 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875606 1041792167 /nfs/dbraw/zinc/79/21/67/1041792167.db2.gz SCACLVHSSZQRER-QGZVFWFLSA-N 1 2 349.331 4.043 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875606 1041792174 /nfs/dbraw/zinc/79/21/74/1041792174.db2.gz SCACLVHSSZQRER-QGZVFWFLSA-N 1 2 349.331 4.043 20 30 EIEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437427488 1041798410 /nfs/dbraw/zinc/79/84/10/1041798410.db2.gz KPOXVSXSXBIGAJ-LBPRGKRZSA-N 1 2 334.341 4.492 20 30 EIEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437427488 1041798412 /nfs/dbraw/zinc/79/84/12/1041798412.db2.gz KPOXVSXSXBIGAJ-LBPRGKRZSA-N 1 2 334.341 4.492 20 30 EIEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000517468330 1042037117 /nfs/dbraw/zinc/03/71/17/1042037117.db2.gz IAXWHAPQPFGSRM-GFCCVEGCSA-N 1 2 337.345 4.468 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817800 1042176502 /nfs/dbraw/zinc/17/65/02/1042176502.db2.gz IDCMGOCNOXYGJZ-NHCUHLMSSA-N 1 2 348.446 4.040 20 30 EIEDLO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817800 1042176507 /nfs/dbraw/zinc/17/65/07/1042176507.db2.gz IDCMGOCNOXYGJZ-NHCUHLMSSA-N 1 2 348.446 4.040 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(Cl)cc1F ZINC000491616162 1042481712 /nfs/dbraw/zinc/48/17/12/1042481712.db2.gz ADTNAQXQUNDJEN-BFUOFWGJSA-N 1 2 342.801 4.234 20 30 EIEDLO Cc1nc2ccc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2s1 ZINC000426419379 1042682290 /nfs/dbraw/zinc/68/22/90/1042682290.db2.gz LFTWPRSLTWQEGS-IBGZPJMESA-N 1 2 349.459 4.050 20 30 EIEDLO Cc1nc2ccc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2s1 ZINC000426419379 1042682293 /nfs/dbraw/zinc/68/22/93/1042682293.db2.gz LFTWPRSLTWQEGS-IBGZPJMESA-N 1 2 349.459 4.050 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2ccccc2c1O ZINC000730147417 1043456825 /nfs/dbraw/zinc/45/68/25/1043456825.db2.gz FBQWFCFFTHIQMZ-UHFFFAOYSA-N 1 2 327.387 4.352 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1Br ZINC000730147790 1043457259 /nfs/dbraw/zinc/45/72/59/1043457259.db2.gz KCCFNAHOVLKBBV-UHFFFAOYSA-N 1 2 340.224 4.255 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cccs1 ZINC000019540381 1043500587 /nfs/dbraw/zinc/50/05/87/1043500587.db2.gz DAUPVMDANSIDHI-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cccs1 ZINC000019540381 1043500604 /nfs/dbraw/zinc/50/06/04/1043500604.db2.gz DAUPVMDANSIDHI-UHFFFAOYSA-N 1 2 334.872 4.337 20 30 EIEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000078615966 1043699371 /nfs/dbraw/zinc/69/93/71/1043699371.db2.gz RKWAMUSMHDCOAM-UHFFFAOYSA-N 1 2 334.345 4.276 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731659718 1043810313 /nfs/dbraw/zinc/81/03/13/1043810313.db2.gz WAJNYYRXIVDWSZ-UHFFFAOYSA-N 1 2 339.464 4.266 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731659718 1043810315 /nfs/dbraw/zinc/81/03/15/1043810315.db2.gz WAJNYYRXIVDWSZ-UHFFFAOYSA-N 1 2 339.464 4.266 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000731894189 1043841818 /nfs/dbraw/zinc/84/18/18/1043841818.db2.gz XNOUFZPQFHCPPD-YVHKJVDXSA-N 1 2 345.446 4.161 20 30 EIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000731894189 1043841824 /nfs/dbraw/zinc/84/18/24/1043841824.db2.gz XNOUFZPQFHCPPD-YVHKJVDXSA-N 1 2 345.446 4.161 20 30 EIEDLO Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000115381833 1043898308 /nfs/dbraw/zinc/89/83/08/1043898308.db2.gz TZSKTRIQDHZFLR-UHFFFAOYSA-N 1 2 343.386 4.093 20 30 EIEDLO C(=[NH+]Nc1cnnc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000733748428 1044298958 /nfs/dbraw/zinc/29/89/58/1044298958.db2.gz WUODADZUNSZZGL-UHFFFAOYSA-N 1 2 331.423 4.066 20 30 EIEDLO C[NH+](C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000914557526 1044481282 /nfs/dbraw/zinc/48/12/82/1044481282.db2.gz HXLPQGUXIVOSAC-YCTMVFBPSA-N 1 2 343.279 4.482 20 30 EIEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000734159023 1044506301 /nfs/dbraw/zinc/50/63/01/1044506301.db2.gz CQTVLOOOVASOLQ-UHFFFAOYSA-N 1 2 348.471 4.420 20 30 EIEDLO CC[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C[C@H](C)C#N ZINC000474142733 1044666744 /nfs/dbraw/zinc/66/67/44/1044666744.db2.gz ARZAHBOGSHCUBX-SNVBAGLBSA-N 1 2 349.194 4.449 20 30 EIEDLO CC[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C[C@H](C)C#N ZINC000474142733 1044666751 /nfs/dbraw/zinc/66/67/51/1044666751.db2.gz ARZAHBOGSHCUBX-SNVBAGLBSA-N 1 2 349.194 4.449 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000914783926 1044772453 /nfs/dbraw/zinc/77/24/53/1044772453.db2.gz JPAHGNKMKZHPFV-UHFFFAOYSA-N 1 2 332.473 4.082 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000914783926 1044772467 /nfs/dbraw/zinc/77/24/67/1044772467.db2.gz JPAHGNKMKZHPFV-UHFFFAOYSA-N 1 2 332.473 4.082 20 30 EIEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735305672 1044787623 /nfs/dbraw/zinc/78/76/23/1044787623.db2.gz BPELJFUEOSACCA-LBPRGKRZSA-N 1 2 332.856 4.423 20 30 EIEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735305672 1044787638 /nfs/dbraw/zinc/78/76/38/1044787638.db2.gz BPELJFUEOSACCA-LBPRGKRZSA-N 1 2 332.856 4.423 20 30 EIEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735320990 1044791292 /nfs/dbraw/zinc/79/12/92/1044791292.db2.gz GJPSCNCEKDFXCY-ZDUSSCGKSA-N 1 2 349.228 4.013 20 30 EIEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000124519096 1044867927 /nfs/dbraw/zinc/86/79/27/1044867927.db2.gz TYVVNELWJNOTBP-QGZVFWFLSA-N 1 2 339.464 4.094 20 30 EIEDLO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000124519096 1044867930 /nfs/dbraw/zinc/86/79/30/1044867930.db2.gz TYVVNELWJNOTBP-QGZVFWFLSA-N 1 2 339.464 4.094 20 30 EIEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000124518856 1044868410 /nfs/dbraw/zinc/86/84/10/1044868410.db2.gz TYVVNELWJNOTBP-KRWDZBQOSA-N 1 2 339.464 4.094 20 30 EIEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000124518856 1044868411 /nfs/dbraw/zinc/86/84/11/1044868411.db2.gz TYVVNELWJNOTBP-KRWDZBQOSA-N 1 2 339.464 4.094 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940985 1044881369 /nfs/dbraw/zinc/88/13/69/1044881369.db2.gz STHQFXSPQOLGDP-HNNXBMFYSA-N 1 2 340.389 4.029 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940985 1044881375 /nfs/dbraw/zinc/88/13/75/1044881375.db2.gz STHQFXSPQOLGDP-HNNXBMFYSA-N 1 2 340.389 4.029 20 30 EIEDLO Clc1nc(N2CCCC2)sc1C=[NH+]Nc1cccc(Cl)c1 ZINC000735970555 1044883925 /nfs/dbraw/zinc/88/39/25/1044883925.db2.gz BYIRBVDFNBFTCG-UHFFFAOYSA-N 1 2 341.267 4.496 20 30 EIEDLO N#Cc1cc(Cl)ccc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000185391456 1044943235 /nfs/dbraw/zinc/94/32/35/1044943235.db2.gz FGRMSRUIPDSAPI-UHFFFAOYSA-N 1 2 336.704 4.023 20 30 EIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000161969180 1045194211 /nfs/dbraw/zinc/19/42/11/1045194211.db2.gz RNMORLLNCSCUGW-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000161969180 1045194216 /nfs/dbraw/zinc/19/42/16/1045194216.db2.gz RNMORLLNCSCUGW-UHFFFAOYSA-N 1 2 338.432 4.424 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(N2CCCCC2)c(F)c1 ZINC000740763707 1045219007 /nfs/dbraw/zinc/21/90/07/1045219007.db2.gz GLNYHWPWAXDEEK-CSKARUKUSA-N 1 2 349.409 4.360 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ncc(Br)s1 ZINC000611132144 1045254979 /nfs/dbraw/zinc/25/49/79/1045254979.db2.gz OLLHJXQIVAFBNP-NXEZZACHSA-N 1 2 336.258 4.189 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Cl)c1c(F)cccc1N1CCOCC1 ZINC000741159971 1045277120 /nfs/dbraw/zinc/27/71/20/1045277120.db2.gz IANHNKULDWRERJ-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO CC(=[NH+]Nc1cccc(Cl)c1)c1c(F)cccc1N1CCOCC1 ZINC000741159956 1045277905 /nfs/dbraw/zinc/27/79/05/1045277905.db2.gz HQDLFOXKAOAOAP-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Br)c(F)c1 ZINC000767734513 1045626852 /nfs/dbraw/zinc/62/68/52/1045626852.db2.gz FEBJXJFDOOJHFT-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)cc1 ZINC000916242983 1045968116 /nfs/dbraw/zinc/96/81/16/1045968116.db2.gz BEUFGOIRUQPWNQ-UHFFFAOYSA-N 1 2 338.411 4.421 20 30 EIEDLO CC(=[NH+]Nc1ccc(Br)c(F)c1)c1ccc(N)cc1C ZINC000769828701 1046088015 /nfs/dbraw/zinc/08/80/15/1046088015.db2.gz VHVJKQQMUMCSCS-UHFFFAOYSA-N 1 2 336.208 4.315 20 30 EIEDLO CCCOc1c(Cl)cc(C[NH+]2CCC(C#N)CC2)cc1OCC ZINC000123754069 1046196179 /nfs/dbraw/zinc/19/61/79/1046196179.db2.gz PWQQBOTUTHEIDE-UHFFFAOYSA-N 1 2 336.863 4.263 20 30 EIEDLO C=C(C)COc1cc(CNc2ccc([NH+](C)C)cc2)ccc1OC ZINC000770504077 1046210426 /nfs/dbraw/zinc/21/04/26/1046210426.db2.gz OFLGLSARKXUAAR-UHFFFAOYSA-N 1 2 326.440 4.328 20 30 EIEDLO COc1ccc(Cl)cc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000771850722 1046513465 /nfs/dbraw/zinc/51/34/65/1046513465.db2.gz PCBSOWNYZTWJOP-AATRIKPKSA-N 1 2 326.783 4.201 20 30 EIEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000917065439 1046625966 /nfs/dbraw/zinc/62/59/66/1046625966.db2.gz PCZVKZUBYLQUSZ-UHFFFAOYSA-N 1 2 347.245 4.045 20 30 EIEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000917065439 1046625974 /nfs/dbraw/zinc/62/59/74/1046625974.db2.gz PCZVKZUBYLQUSZ-UHFFFAOYSA-N 1 2 347.245 4.045 20 30 EIEDLO FC(F)(F)c1ccc(CO[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000746577818 1046828086 /nfs/dbraw/zinc/82/80/86/1046828086.db2.gz ZVCKAARDCVGTIT-UHFFFAOYSA-N 1 2 349.356 4.251 20 30 EIEDLO Clc1cccc(C#CC[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000536926342 1046863105 /nfs/dbraw/zinc/86/31/05/1046863105.db2.gz PZKHSTQRRZUKIC-UHFFFAOYSA-N 1 2 338.863 4.401 20 30 EIEDLO Cc1c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cnn1C(C)(C)C ZINC000787186534 1046938330 /nfs/dbraw/zinc/93/83/30/1046938330.db2.gz KFPZRXCFTPYGHK-AATRIKPKSA-N 1 2 340.452 4.090 20 30 EIEDLO C=CCC1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCC1 ZINC000788249592 1047141150 /nfs/dbraw/zinc/14/11/50/1047141150.db2.gz TXEMYRQVRGNHDP-INIZCTEOSA-N 1 2 341.499 4.177 20 30 EIEDLO C=CCC1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCC1 ZINC000788249592 1047141123 /nfs/dbraw/zinc/14/11/23/1047141123.db2.gz TXEMYRQVRGNHDP-INIZCTEOSA-N 1 2 341.499 4.177 20 30 EIEDLO C=CC[N@@H+](Cc1ccccc1F)Cn1cnc2cc(F)c(F)cc21 ZINC000918180710 1047372062 /nfs/dbraw/zinc/37/20/62/1047372062.db2.gz CZPVKIVHKCCMLQ-UHFFFAOYSA-N 1 2 331.341 4.099 20 30 EIEDLO C=CC[N@H+](Cc1ccccc1F)Cn1cnc2cc(F)c(F)cc21 ZINC000918180710 1047372074 /nfs/dbraw/zinc/37/20/74/1047372074.db2.gz CZPVKIVHKCCMLQ-UHFFFAOYSA-N 1 2 331.341 4.099 20 30 EIEDLO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730849 1048177328 /nfs/dbraw/zinc/17/73/28/1048177328.db2.gz CMAGMNQKVWELJT-CQSZACIVSA-N 1 2 344.846 4.098 20 30 EIEDLO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730849 1048177334 /nfs/dbraw/zinc/17/73/34/1048177334.db2.gz CMAGMNQKVWELJT-CQSZACIVSA-N 1 2 344.846 4.098 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001143726165 1048177935 /nfs/dbraw/zinc/17/79/35/1048177935.db2.gz IWFLQGDNNYVLHQ-MRXNPFEDSA-N 1 2 343.883 4.363 20 30 EIEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001143726165 1048177938 /nfs/dbraw/zinc/17/79/38/1048177938.db2.gz IWFLQGDNNYVLHQ-MRXNPFEDSA-N 1 2 343.883 4.363 20 30 EIEDLO N#CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CCCC1 ZINC001143790750 1048206021 /nfs/dbraw/zinc/20/60/21/1048206021.db2.gz PXFFYPSQFIDPBD-UHFFFAOYSA-N 1 2 330.325 4.383 20 30 EIEDLO N#CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CCCC1 ZINC001143790750 1048206034 /nfs/dbraw/zinc/20/60/34/1048206034.db2.gz PXFFYPSQFIDPBD-UHFFFAOYSA-N 1 2 330.325 4.383 20 30 EIEDLO CC(=[NH+]Nc1ccc(C(F)(F)F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814881963 1048233579 /nfs/dbraw/zinc/23/35/79/1048233579.db2.gz CUWFBVNPBUKAMS-UHFFFAOYSA-N 1 2 329.272 4.402 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000809782633 1048530008 /nfs/dbraw/zinc/53/00/08/1048530008.db2.gz BFRAOPUWZGXATL-KRWDZBQOSA-N 1 2 345.446 4.338 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000809782633 1048530021 /nfs/dbraw/zinc/53/00/21/1048530021.db2.gz BFRAOPUWZGXATL-KRWDZBQOSA-N 1 2 345.446 4.338 20 30 EIEDLO CCOc1cccc(/C=[NH+]/CCCCN(C)c2ccccc2)c1O ZINC000920174027 1048570599 /nfs/dbraw/zinc/57/05/99/1048570599.db2.gz YBESXRRUWVXYDC-LTGZKZEYSA-N 1 2 326.440 4.126 20 30 EIEDLO CCCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920228585 1048587508 /nfs/dbraw/zinc/58/75/08/1048587508.db2.gz KUQHCIORQCTMSA-UHFFFAOYSA-N 1 2 331.435 4.378 20 30 EIEDLO C=CC[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000810698815 1048852469 /nfs/dbraw/zinc/85/24/69/1048852469.db2.gz WCCJTQZPLCHVEJ-OAQYLSRUSA-N 1 2 346.430 4.335 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001171230691 1048869806 /nfs/dbraw/zinc/86/98/06/1048869806.db2.gz GCAYSIJQBRTYEI-MGPUTAFESA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001171230691 1048869812 /nfs/dbraw/zinc/86/98/12/1048869812.db2.gz GCAYSIJQBRTYEI-MGPUTAFESA-N 1 2 340.854 4.216 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000811516013 1049100869 /nfs/dbraw/zinc/10/08/69/1049100869.db2.gz AOTPDWFYTNVRCM-OAHLLOKOSA-N 1 2 335.190 4.366 20 30 EIEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2SC(C)(C)C)nn1 ZINC000818346416 1049128643 /nfs/dbraw/zinc/12/86/43/1049128643.db2.gz FCOZGCCMJCYYEI-CQSZACIVSA-N 1 2 330.501 4.206 20 30 EIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819033011 1049243986 /nfs/dbraw/zinc/24/39/86/1049243986.db2.gz FPIYKAVNXSDMCS-JTSKRJEESA-N 1 2 345.446 4.134 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1OC(F)F ZINC000820615385 1049528259 /nfs/dbraw/zinc/52/82/59/1049528259.db2.gz FGZHDKBAGYXYRJ-UHFFFAOYSA-N 1 2 332.350 4.087 20 30 EIEDLO Fc1cccc2c1C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC2 ZINC001170951262 1049529678 /nfs/dbraw/zinc/52/96/78/1049529678.db2.gz XOLWUCLOCPQAEJ-SECBINFHSA-N 1 2 347.249 4.106 20 30 EIEDLO C#CCCCOc1ccc[nH+]c1NCc1coc(-c2cccs2)n1 ZINC000820641052 1049530172 /nfs/dbraw/zinc/53/01/72/1049530172.db2.gz ZBYNTITWSLBQFA-UHFFFAOYSA-N 1 2 339.420 4.202 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000812793395 1049589868 /nfs/dbraw/zinc/58/98/68/1049589868.db2.gz RXKZIKQWXIBZNN-INIZCTEOSA-N 1 2 336.179 4.191 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C#N)CCCC2)C[C@@H]1C(C)(C)C ZINC001171592256 1049751837 /nfs/dbraw/zinc/75/18/37/1049751837.db2.gz ZWOQDCCBJPKAIM-HZPDHXFCSA-N 1 2 349.519 4.227 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171843786 1049812541 /nfs/dbraw/zinc/81/25/41/1049812541.db2.gz AQTHUUUODIJFJL-QFBILLFUSA-N 1 2 349.519 4.227 20 30 EIEDLO C=CCC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000615962109 1049822225 /nfs/dbraw/zinc/82/22/25/1049822225.db2.gz WMHJDYSUXSMATD-SFHVURJKSA-N 1 2 337.467 4.327 20 30 EIEDLO C[C@H](CCCC#N)[NH2+][C@@H](CCc1ccccc1)C(=O)OC(C)(C)C ZINC001172484993 1049911384 /nfs/dbraw/zinc/91/13/84/1049911384.db2.gz JWPUKYKUFZYDDR-AEFFLSMTSA-N 1 2 330.472 4.001 20 30 EIEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172493689 1049921666 /nfs/dbraw/zinc/92/16/66/1049921666.db2.gz BZQYZRJYNJQDPS-DLBZAZTESA-N 1 2 344.503 4.049 20 30 EIEDLO C[C@@H](CCCC#N)[N@H+]1CCn2c(COCC3CCCC3)cnc2[C@H]1C ZINC001172493689 1049921675 /nfs/dbraw/zinc/92/16/75/1049921675.db2.gz BZQYZRJYNJQDPS-DLBZAZTESA-N 1 2 344.503 4.049 20 30 EIEDLO CCCCCCC[C@H](CCC)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001172507909 1049926085 /nfs/dbraw/zinc/92/60/85/1049926085.db2.gz DBSNGCAOALEENK-ROUUACIJSA-N 1 2 337.508 4.018 20 30 EIEDLO N#CCC[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccccc1 ZINC001185865763 1050181682 /nfs/dbraw/zinc/18/16/82/1050181682.db2.gz NPMREEDOEUZXCU-MRXNPFEDSA-N 1 2 327.391 4.339 20 30 EIEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)sc1Br ZINC000901506423 1050288715 /nfs/dbraw/zinc/28/87/15/1050288715.db2.gz MCYSYJHGKGLTMW-SNAWJCMRSA-N 1 2 339.258 4.493 20 30 EIEDLO C=C(Br)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001177743594 1050290606 /nfs/dbraw/zinc/29/06/06/1050290606.db2.gz NKAWPRPTTXLGKT-UHFFFAOYSA-N 1 2 343.677 4.462 20 30 EIEDLO CSc1ccc(CNc2nc3ccccc3n3c[nH+]cc23)cc1C#N ZINC001187593562 1050571477 /nfs/dbraw/zinc/57/14/77/1050571477.db2.gz MTYRMFYPORIFOA-UHFFFAOYSA-N 1 2 345.431 4.088 20 30 EIEDLO C[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000775162094 1050777812 /nfs/dbraw/zinc/77/78/12/1050777812.db2.gz KUNVVVFVPYEVFL-QMMMGPOBSA-N 1 2 326.268 4.105 20 30 EIEDLO Cc1cc(C[N@@H+]2CCc3cccc(Br)c3C2)ccc1C#N ZINC001180219707 1050921293 /nfs/dbraw/zinc/92/12/93/1050921293.db2.gz TWFAVEJBNXOZQN-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(C[N@H+]2CCc3cccc(Br)c3C2)ccc1C#N ZINC001180219707 1050921309 /nfs/dbraw/zinc/92/13/09/1050921309.db2.gz TWFAVEJBNXOZQN-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO N#Cc1ncc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1C(F)(F)F ZINC001174522970 1051054560 /nfs/dbraw/zinc/05/45/60/1051054560.db2.gz SLRQZAWRMSTKDB-UHFFFAOYSA-N 1 2 347.344 4.101 20 30 EIEDLO CCCCCCC[C@@H](C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001181133448 1051162662 /nfs/dbraw/zinc/16/26/62/1051162662.db2.gz SRPQDHOKHBAWLZ-CQSZACIVSA-N 1 2 325.522 4.064 20 30 EIEDLO COc1ccc(F)cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076181215 1051175641 /nfs/dbraw/zinc/17/56/41/1051175641.db2.gz HNGKHRIFVVSCNX-QWRGUYRKSA-N 1 2 345.258 4.007 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000775398804 1051228130 /nfs/dbraw/zinc/22/81/30/1051228130.db2.gz LZKRJKPZMSJREZ-KRWDZBQOSA-N 1 2 337.810 4.244 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000775399827 1051231013 /nfs/dbraw/zinc/23/10/13/1051231013.db2.gz UYPPYANCCHWIEQ-LBPRGKRZSA-N 1 2 325.280 4.236 20 30 EIEDLO CCCCCCCCNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001191051434 1051335517 /nfs/dbraw/zinc/33/55/17/1051335517.db2.gz ODYGCEZLJTUQSF-UHFFFAOYSA-N 1 2 348.516 4.090 20 30 EIEDLO CCCCCCCCNC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001191051434 1051335522 /nfs/dbraw/zinc/33/55/22/1051335522.db2.gz ODYGCEZLJTUQSF-UHFFFAOYSA-N 1 2 348.516 4.090 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191773010 1051533207 /nfs/dbraw/zinc/53/32/07/1051533207.db2.gz IFAGJELSUSIIMG-OXJNMPFZSA-N 1 2 339.870 4.283 20 30 EIEDLO N#Cc1cccc(C(F)(F)F)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714827 1051735916 /nfs/dbraw/zinc/73/59/16/1051735916.db2.gz VVUNPWGEAXTRLB-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](Cc1ccccc1)c1ccccn1 ZINC001184153272 1051955161 /nfs/dbraw/zinc/95/51/61/1051955161.db2.gz CWSKKJXENYNNEZ-NRFANRHFSA-N 1 2 331.394 4.166 20 30 EIEDLO Cc1ccc(C)c(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)[nH+]1 ZINC001176263621 1051987483 /nfs/dbraw/zinc/98/74/83/1051987483.db2.gz UFTOWVCYWYICFF-UHFFFAOYSA-N 1 2 348.468 4.193 20 30 EIEDLO C=CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000165787773 1052076169 /nfs/dbraw/zinc/07/61/69/1052076169.db2.gz RASBORRZIWBKMM-UHFFFAOYSA-N 1 2 341.480 4.226 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586943 1052121378 /nfs/dbraw/zinc/12/13/78/1052121378.db2.gz GRNUSOAANMKSOM-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc([C@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CCO2)cc1 ZINC001176586943 1052121385 /nfs/dbraw/zinc/12/13/85/1052121385.db2.gz GRNUSOAANMKSOM-VQTJNVASSA-N 1 2 338.838 4.272 20 30 EIEDLO N#Cc1ccc(Br)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750327 1052181934 /nfs/dbraw/zinc/18/19/34/1052181934.db2.gz CGHLAULCYRANBF-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C/c1c[nH+]c2ccccn12 ZINC000764431835 1053100516 /nfs/dbraw/zinc/10/05/16/1053100516.db2.gz GLUKEDXGTRUJNG-XFFZJAGNSA-N 1 2 329.186 4.464 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794666401 1053238496 /nfs/dbraw/zinc/23/84/96/1053238496.db2.gz CTEARFCKCHEFSY-YADHBBJMSA-N 1 2 346.405 4.262 20 30 EIEDLO Cc1cc2cc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)oc2cc1C ZINC000794702699 1053324720 /nfs/dbraw/zinc/32/47/20/1053324720.db2.gz RPGFJZBGBFAQRH-AATRIKPKSA-N 1 2 340.448 4.464 20 30 EIEDLO Cc1ccc(C)c2c1CC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794715897 1053350254 /nfs/dbraw/zinc/35/02/54/1053350254.db2.gz ZKFFAJQICPMOIA-NTEUORMPSA-N 1 2 326.465 4.034 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000764878211 1053352919 /nfs/dbraw/zinc/35/29/19/1053352919.db2.gz JNOICZBWSZWONW-UHFFFAOYSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000764878211 1053352935 /nfs/dbraw/zinc/35/29/35/1053352935.db2.gz JNOICZBWSZWONW-UHFFFAOYSA-N 1 2 348.541 4.406 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765027298 1053418972 /nfs/dbraw/zinc/41/89/72/1053418972.db2.gz GZTWCGACDIGJEU-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765027298 1053418976 /nfs/dbraw/zinc/41/89/76/1053418976.db2.gz GZTWCGACDIGJEU-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)CO1 ZINC001196073472 1053574558 /nfs/dbraw/zinc/57/45/58/1053574558.db2.gz IXSPXQPSWQVSHX-FQEVSTJZSA-N 1 2 338.426 4.267 20 30 EIEDLO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)CO1 ZINC001196073472 1053574567 /nfs/dbraw/zinc/57/45/67/1053574567.db2.gz IXSPXQPSWQVSHX-FQEVSTJZSA-N 1 2 338.426 4.267 20 30 EIEDLO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231813 1053658168 /nfs/dbraw/zinc/65/81/68/1053658168.db2.gz ABIZPSCEZJYTSM-ZIAGYGMSSA-N 1 2 340.423 4.001 20 30 EIEDLO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866242526 1053662815 /nfs/dbraw/zinc/66/28/15/1053662815.db2.gz MKJDRMBBUAXMLS-XERREHJYSA-N 1 2 336.435 4.082 20 30 EIEDLO C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1O ZINC000866267907 1053669244 /nfs/dbraw/zinc/66/92/44/1053669244.db2.gz ILZXEKMPVPKYFS-MGPUTAFESA-N 1 2 336.435 4.082 20 30 EIEDLO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866311898 1053686082 /nfs/dbraw/zinc/68/60/82/1053686082.db2.gz WVJYUDGLROUFEL-FTRWYGJKSA-N 1 2 336.435 4.082 20 30 EIEDLO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(C#N)c1O ZINC000866360335 1053703663 /nfs/dbraw/zinc/70/36/63/1053703663.db2.gz DRZZJXBRSNZNFG-QVKFZJNVSA-N 1 2 348.446 4.009 20 30 EIEDLO CCSc1ccccc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001196788941 1053755710 /nfs/dbraw/zinc/75/57/10/1053755710.db2.gz FMGIPRXNOGVZEV-FQEVSTJZSA-N 1 2 337.492 4.251 20 30 EIEDLO CCSc1ccccc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001196788941 1053755722 /nfs/dbraw/zinc/75/57/22/1053755722.db2.gz FMGIPRXNOGVZEV-FQEVSTJZSA-N 1 2 337.492 4.251 20 30 EIEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)ccc1F ZINC000765615480 1053813257 /nfs/dbraw/zinc/81/32/57/1053813257.db2.gz GGVKZNWXRVBWEA-XQRVVYSFSA-N 1 2 330.746 4.032 20 30 EIEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCc2ccccc21 ZINC001198105405 1054080064 /nfs/dbraw/zinc/08/00/64/1054080064.db2.gz XRXQCCHIBAOIIK-FQEVSTJZSA-N 1 2 338.382 4.247 20 30 EIEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCc2ccccc21 ZINC001198105405 1054080075 /nfs/dbraw/zinc/08/00/75/1054080075.db2.gz XRXQCCHIBAOIIK-FQEVSTJZSA-N 1 2 338.382 4.247 20 30 EIEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490475 1054162655 /nfs/dbraw/zinc/16/26/55/1054162655.db2.gz KCWYSINMNWETEQ-ZBFHGGJFSA-N 1 2 341.480 4.096 20 30 EIEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001198490475 1054162659 /nfs/dbraw/zinc/16/26/59/1054162659.db2.gz KCWYSINMNWETEQ-ZBFHGGJFSA-N 1 2 341.480 4.096 20 30 EIEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000858245282 1054446965 /nfs/dbraw/zinc/44/69/65/1054446965.db2.gz GDOLGDIJBDTQMC-KXBFYZLASA-N 1 2 344.405 4.334 20 30 EIEDLO CCCCCCCC[N@@H+]1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201813925 1054912036 /nfs/dbraw/zinc/91/20/36/1054912036.db2.gz KYJARURGGJMVSG-UHFFFAOYSA-N 1 2 332.536 4.045 20 30 EIEDLO CCCCCCCC[N@H+]1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201813925 1054912044 /nfs/dbraw/zinc/91/20/44/1054912044.db2.gz KYJARURGGJMVSG-UHFFFAOYSA-N 1 2 332.536 4.045 20 30 EIEDLO CC1CCC(OC2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000876720640 1054950231 /nfs/dbraw/zinc/95/02/31/1054950231.db2.gz IGLRKPSDFWPERM-UHFFFAOYSA-N 1 2 347.890 4.166 20 30 EIEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000877472419 1055059655 /nfs/dbraw/zinc/05/96/55/1055059655.db2.gz SGBBRNGMUUPRHE-LBPRGKRZSA-N 1 2 331.769 4.017 20 30 EIEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000877472419 1055059667 /nfs/dbraw/zinc/05/96/67/1055059667.db2.gz SGBBRNGMUUPRHE-LBPRGKRZSA-N 1 2 331.769 4.017 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166191 1055198189 /nfs/dbraw/zinc/19/81/89/1055198189.db2.gz NXHQPLUEMGAVGR-RTWAWAEBSA-N 1 2 336.410 4.013 20 30 EIEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000878166191 1055198195 /nfs/dbraw/zinc/19/81/95/1055198195.db2.gz NXHQPLUEMGAVGR-RTWAWAEBSA-N 1 2 336.410 4.013 20 30 EIEDLO N#C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815528 1055326208 /nfs/dbraw/zinc/32/62/08/1055326208.db2.gz OMIIEHXTTHOWDZ-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815528 1055326227 /nfs/dbraw/zinc/32/62/27/1055326227.db2.gz OMIIEHXTTHOWDZ-NSHDSACASA-N 1 2 327.653 4.228 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000878687747 1055374866 /nfs/dbraw/zinc/37/48/66/1055374866.db2.gz SRMMUOOPKCHRRH-RTBURBONSA-N 1 2 337.467 4.256 20 30 EIEDLO C=CCCC[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000878720479 1055381727 /nfs/dbraw/zinc/38/17/27/1055381727.db2.gz PEYCCBYIHOYQGN-WOJBJXKFSA-N 1 2 337.467 4.187 20 30 EIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301617131 1055957356 /nfs/dbraw/zinc/95/73/56/1055957356.db2.gz KGMYGIAQNILCMY-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO Cc1cc(C)c(C#N)c(SCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000445598171 1056217271 /nfs/dbraw/zinc/21/72/71/1056217271.db2.gz XLNIGZAPKJBUJB-UHFFFAOYSA-N 1 2 334.448 4.107 20 30 EIEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168684536 1056720291 /nfs/dbraw/zinc/72/02/91/1056720291.db2.gz JZXAHFNAVKPPEK-QMMMGPOBSA-N 1 2 349.677 4.230 20 30 EIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Br)s3)c[nH+]c12 ZINC000741463805 1058219182 /nfs/dbraw/zinc/21/91/82/1058219182.db2.gz IMSYCKYURUQKIQ-SNAWJCMRSA-N 1 2 347.237 4.363 20 30 EIEDLO Cc1cccn2c(/C=C3\COc4ccc(C(C)C)cc4C3=O)c[nH+]c12 ZINC000741467128 1058222733 /nfs/dbraw/zinc/22/27/33/1058222733.db2.gz HDMOLUVTYKLMIK-CXUHLZMHSA-N 1 2 332.403 4.425 20 30 EIEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCCn1cnc2ccccc21 ZINC000743340353 1058924188 /nfs/dbraw/zinc/92/41/88/1058924188.db2.gz BRPOCXGKXOCETL-HMAPJEAMSA-N 1 2 329.403 4.404 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000744405575 1059466892 /nfs/dbraw/zinc/46/68/92/1059466892.db2.gz SLGVPUAFXYBXKP-UHFFFAOYSA-N 1 2 333.863 4.394 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000744405575 1059466940 /nfs/dbraw/zinc/46/69/40/1059466940.db2.gz SLGVPUAFXYBXKP-UHFFFAOYSA-N 1 2 333.863 4.394 20 30 EIEDLO CCC[N@@H+](Cc1ccccc1F)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746037111 1059971891 /nfs/dbraw/zinc/97/18/91/1059971891.db2.gz FTWKDKKLNFBGAU-UHFFFAOYSA-N 1 2 348.425 4.431 20 30 EIEDLO CCC[N@H+](Cc1ccccc1F)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746037111 1059971922 /nfs/dbraw/zinc/97/19/22/1059971922.db2.gz FTWKDKKLNFBGAU-UHFFFAOYSA-N 1 2 348.425 4.431 20 30 EIEDLO O=C(C=CNc1ccc2c(c1)[nH+]cn2-c1ccccc1)C(F)(F)F ZINC001169475669 1060834329 /nfs/dbraw/zinc/83/43/29/1060834329.db2.gz KHZOGYLZKHTUBT-CMDGGOBGSA-N 1 2 331.297 4.083 20 30 EIEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001169507521 1060839921 /nfs/dbraw/zinc/83/99/21/1060839921.db2.gz PSGPACSFFCAMIH-OAQYLSRUSA-N 1 2 337.850 4.213 20 30 EIEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001169507521 1060839925 /nfs/dbraw/zinc/83/99/25/1060839925.db2.gz PSGPACSFFCAMIH-OAQYLSRUSA-N 1 2 337.850 4.213 20 30 EIEDLO C#CCCCSc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000766739746 1060844106 /nfs/dbraw/zinc/84/41/06/1060844106.db2.gz ZLSOQNDRSJXJJE-UHFFFAOYSA-N 1 2 345.537 4.409 20 30 EIEDLO N#CCc1cc[nH+]c(NCc2ccc(OCc3ccccc3F)cc2)c1 ZINC000767291342 1061180585 /nfs/dbraw/zinc/18/05/85/1061180585.db2.gz NAMOYRXIDYRALZ-UHFFFAOYSA-N 1 2 347.393 4.478 20 30 EIEDLO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000532379245 1032377082 /nfs/dbraw/zinc/37/70/82/1032377082.db2.gz CEKAZTGKCHNQSW-UHFFFAOYSA-N 1 2 336.410 4.385 20 30 EIEDLO C=CCC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCC1 ZINC000450540689 1032555499 /nfs/dbraw/zinc/55/54/99/1032555499.db2.gz OVYTZRVXVVLHQM-UHFFFAOYSA-N 1 2 329.488 4.038 20 30 EIEDLO C#CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H]1CCc2ccccc21 ZINC000089886963 1019093996 /nfs/dbraw/zinc/09/39/96/1019093996.db2.gz ATRFLDXTCVFKAN-IBGZPJMESA-N 1 2 347.418 4.069 20 30 EIEDLO C#CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H]1CCc2ccccc21 ZINC000089886963 1019094013 /nfs/dbraw/zinc/09/40/13/1019094013.db2.gz ATRFLDXTCVFKAN-IBGZPJMESA-N 1 2 347.418 4.069 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1F)Cc1ccccc1OC(F)(F)F ZINC000512456085 1032819430 /nfs/dbraw/zinc/81/94/30/1032819430.db2.gz KMYDSCRJIVXODL-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1F)Cc1ccccc1OC(F)(F)F ZINC000512456085 1032819431 /nfs/dbraw/zinc/81/94/31/1032819431.db2.gz KMYDSCRJIVXODL-UHFFFAOYSA-N 1 2 338.304 4.228 20 30 EIEDLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000610343881 1021336392 /nfs/dbraw/zinc/33/63/92/1021336392.db2.gz VQUOXCDCYUKRBF-GJZGRUSLSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1cn2cc(NC(=O)c3sc4ccc(C#N)cc4c3C)ccc2[nH+]1 ZINC000580455991 1021794177 /nfs/dbraw/zinc/79/41/77/1021794177.db2.gz IWLSORHAUZTQFL-UHFFFAOYSA-N 1 2 346.415 4.290 20 30 EIEDLO CC(=[NH+]NCc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1Cl ZINC000782902158 1023091312 /nfs/dbraw/zinc/09/13/12/1023091312.db2.gz ZBXDWBCZEXPYFN-UHFFFAOYSA-N 1 2 341.764 4.455 20 30 EIEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C)n1cc[nH+]c1 ZINC000584783275 1023314285 /nfs/dbraw/zinc/31/42/85/1023314285.db2.gz AAVRQQSKBJLDPX-YNEHKIRRSA-N 1 2 342.468 4.092 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@@H](c2ccncc2)c2cc(F)ccc2F)cc1 ZINC000377656767 1023665530 /nfs/dbraw/zinc/66/55/30/1023665530.db2.gz YPAKRQMZYMRBOP-NRFANRHFSA-N 1 2 334.369 4.220 20 30 EIEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510916215 1024805311 /nfs/dbraw/zinc/80/53/11/1024805311.db2.gz LBVPBLVJOPJNLT-CQSZACIVSA-N 1 2 325.225 4.228 20 30 EIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1cccs1 ZINC000104881923 1024882971 /nfs/dbraw/zinc/88/29/71/1024882971.db2.gz WYRWDNIQBMKPRG-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)Cc1cccs1 ZINC000104881923 1024882974 /nfs/dbraw/zinc/88/29/74/1024882974.db2.gz WYRWDNIQBMKPRG-UHFFFAOYSA-N 1 2 328.481 4.498 20 30 EIEDLO CC(C)COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000341968748 1025014325 /nfs/dbraw/zinc/01/43/25/1025014325.db2.gz YXUHZXLOZDYWGQ-UHFFFAOYSA-N 1 2 339.439 4.411 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)c(F)c1 ZINC000610946893 1025152685 /nfs/dbraw/zinc/15/26/85/1025152685.db2.gz WRZYKCZSKOCIKA-FQEVSTJZSA-N 1 2 335.357 4.111 20 30 EIEDLO C=CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000603936393 1025348671 /nfs/dbraw/zinc/34/86/71/1025348671.db2.gz NERDDWYRKTUITI-UHFFFAOYSA-N 1 2 331.419 4.008 20 30 EIEDLO C=CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000603936393 1025348684 /nfs/dbraw/zinc/34/86/84/1025348684.db2.gz NERDDWYRKTUITI-UHFFFAOYSA-N 1 2 331.419 4.008 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1nnc(C)o1)c1ccc(C(F)(F)F)cc1 ZINC000342223767 1025499630 /nfs/dbraw/zinc/49/96/30/1025499630.db2.gz NMKFDVVACLYBTH-AWEZNQCLSA-N 1 2 325.334 4.194 20 30 EIEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000278924037 1025618275 /nfs/dbraw/zinc/61/82/75/1025618275.db2.gz LWBMEAZNYBMZAN-SNVBAGLBSA-N 1 2 328.334 4.003 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC001140540336 1025878714 /nfs/dbraw/zinc/87/87/14/1025878714.db2.gz RYNRSRLWEJHVDS-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)cn1 ZINC001140540336 1025878716 /nfs/dbraw/zinc/87/87/16/1025878716.db2.gz RYNRSRLWEJHVDS-KRWDZBQOSA-N 1 2 342.240 4.053 20 30 EIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000582067018 1026062364 /nfs/dbraw/zinc/06/23/64/1026062364.db2.gz BKYBNGCQKCUJOS-HNNXBMFYSA-N 1 2 341.480 4.120 20 30 EIEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)CC2 ZINC000582092332 1026133959 /nfs/dbraw/zinc/13/39/59/1026133959.db2.gz MNEHANOUKMQJRX-RBUKOAKNSA-N 1 2 331.444 4.381 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000551441958 1026188949 /nfs/dbraw/zinc/18/89/49/1026188949.db2.gz LWHVOICKOYNVCJ-QFIPXVFZSA-N 1 2 348.446 4.037 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000551441958 1026188957 /nfs/dbraw/zinc/18/89/57/1026188957.db2.gz LWHVOICKOYNVCJ-QFIPXVFZSA-N 1 2 348.446 4.037 20 30 EIEDLO C=CCC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000370898718 1026481230 /nfs/dbraw/zinc/48/12/30/1026481230.db2.gz FZPQPLQWFDHPHJ-GOSISDBHSA-N 1 2 338.455 4.006 20 30 EIEDLO C=CCC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000370898718 1026481241 /nfs/dbraw/zinc/48/12/41/1026481241.db2.gz FZPQPLQWFDHPHJ-GOSISDBHSA-N 1 2 338.455 4.006 20 30 EIEDLO COc1cc[nH+]cc1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000344856716 1026641247 /nfs/dbraw/zinc/64/12/47/1026641247.db2.gz PDNFJPAMEIWNSO-UHFFFAOYSA-N 1 2 345.402 4.153 20 30 EIEDLO CC[C@H]([NH2+][C@H](C)c1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000375720054 1026855006 /nfs/dbraw/zinc/85/50/06/1026855006.db2.gz PZSKSHCVDBZXJZ-KDOFPFPSSA-N 1 2 332.407 4.410 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2ccccc2o1 ZINC000342700037 1026858709 /nfs/dbraw/zinc/85/87/09/1026858709.db2.gz JTRIAXNOKMMXHE-ZDUSSCGKSA-N 1 2 344.374 4.205 20 30 EIEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000158672022 1026890379 /nfs/dbraw/zinc/89/03/79/1026890379.db2.gz IAEXBSBHEXOOEO-OAHLLOKOSA-N 1 2 343.452 4.077 20 30 EIEDLO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000158672022 1026890381 /nfs/dbraw/zinc/89/03/81/1026890381.db2.gz IAEXBSBHEXOOEO-OAHLLOKOSA-N 1 2 343.452 4.077 20 30 EIEDLO COc1ccccc1-c1nc(C[N@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000046517924 1026893412 /nfs/dbraw/zinc/89/34/12/1026893412.db2.gz TXGNQFSDGCFQEM-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1ccccc1-c1nc(C[N@@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000046517924 1026893415 /nfs/dbraw/zinc/89/34/15/1026893415.db2.gz TXGNQFSDGCFQEM-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc(Br)o1 ZINC000441182309 1027345980 /nfs/dbraw/zinc/34/59/80/1027345980.db2.gz YRTGCMMVCCEKEB-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc(Br)o1 ZINC000441182309 1027346003 /nfs/dbraw/zinc/34/60/03/1027346003.db2.gz YRTGCMMVCCEKEB-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO Fc1ccc(NC2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441261495 1027397414 /nfs/dbraw/zinc/39/74/14/1027397414.db2.gz UKJLRQKVKHWFIM-UHFFFAOYSA-N 1 2 342.845 4.407 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000441363188 1027487102 /nfs/dbraw/zinc/48/71/02/1027487102.db2.gz WZIQRBWTURVNED-MRXNPFEDSA-N 1 2 339.870 4.090 20 30 EIEDLO C[C@H]1CCN(C(=O)Nc2cccc3ccsc32)C[C@@H]1n1cc[nH+]c1 ZINC000328809849 1027807396 /nfs/dbraw/zinc/80/73/96/1027807396.db2.gz MNWIMZAMYMGMFK-BBRMVZONSA-N 1 2 340.452 4.226 20 30 EIEDLO CC(C)Cc1ncc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000162262077 1027843556 /nfs/dbraw/zinc/84/35/56/1027843556.db2.gz YEECKYJSEPWTPL-UHFFFAOYSA-N 1 2 330.457 4.031 20 30 EIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330802193 1027888920 /nfs/dbraw/zinc/88/89/20/1027888920.db2.gz AROUWMUTMLFUNY-MAUKXSAKSA-N 1 2 327.472 4.154 20 30 EIEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccon1 ZINC000444651157 1027917298 /nfs/dbraw/zinc/91/72/98/1027917298.db2.gz GFAZZTACACELJO-UHFFFAOYSA-N 1 2 331.419 4.006 20 30 EIEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccon1 ZINC000444651157 1027917317 /nfs/dbraw/zinc/91/73/17/1027917317.db2.gz GFAZZTACACELJO-UHFFFAOYSA-N 1 2 331.419 4.006 20 30 EIEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCc2occc2C1 ZINC000329663386 1027954179 /nfs/dbraw/zinc/95/41/79/1027954179.db2.gz PWARSWPOXQSIGB-LBPRGKRZSA-N 1 2 341.436 4.314 20 30 EIEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCc2occc2C1 ZINC000329663386 1027954202 /nfs/dbraw/zinc/95/42/02/1027954202.db2.gz PWARSWPOXQSIGB-LBPRGKRZSA-N 1 2 341.436 4.314 20 30 EIEDLO CC[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccs1 ZINC000329677715 1027970622 /nfs/dbraw/zinc/97/06/22/1027970622.db2.gz PZLHHRZACRDKIK-URZJAHPPSA-N 1 2 333.501 4.109 20 30 EIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444698316 1027988766 /nfs/dbraw/zinc/98/87/66/1027988766.db2.gz BTOKRXTZLXOODN-YWZLYKJASA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444698316 1027988788 /nfs/dbraw/zinc/98/87/88/1027988788.db2.gz BTOKRXTZLXOODN-YWZLYKJASA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329835680 1028137177 /nfs/dbraw/zinc/13/71/77/1028137177.db2.gz UXFHZTVQZPPKSG-GJZGRUSLSA-N 1 2 338.455 4.305 20 30 EIEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000054298448 1028274948 /nfs/dbraw/zinc/27/49/48/1028274948.db2.gz ZWHVXEZXGXBUMB-UHFFFAOYSA-N 1 2 336.410 4.101 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nccn1-c1ccccc1 ZINC000347158860 1028895837 /nfs/dbraw/zinc/89/58/37/1028895837.db2.gz FJGCZFGVZDVQMI-LSDHHAIUSA-N 1 2 334.398 4.295 20 30 EIEDLO CC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1c(C)noc1C ZINC000347222851 1028934335 /nfs/dbraw/zinc/93/43/35/1028934335.db2.gz GPYQLQIYVJPZRC-HNNXBMFYSA-N 1 2 348.244 4.167 20 30 EIEDLO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000525104491 1029454406 /nfs/dbraw/zinc/45/44/06/1029454406.db2.gz GCBUGMOYEDCFTJ-UHFFFAOYSA-N 1 2 338.370 4.125 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cnc(C(F)(F)F)s2)C2CC2)cc1 ZINC000446750882 1029557366 /nfs/dbraw/zinc/55/73/66/1029557366.db2.gz AMVNCVNAZNINKI-UHFFFAOYSA-N 1 2 337.370 4.198 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cnc(C(F)(F)F)s2)C2CC2)cc1 ZINC000446750882 1029557372 /nfs/dbraw/zinc/55/73/72/1029557372.db2.gz AMVNCVNAZNINKI-UHFFFAOYSA-N 1 2 337.370 4.198 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000187786836 1029790630 /nfs/dbraw/zinc/79/06/30/1029790630.db2.gz JBWGIJZXXYSKOJ-INIZCTEOSA-N 1 2 335.350 4.060 20 30 EIEDLO C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181628755 1029903764 /nfs/dbraw/zinc/90/37/64/1029903764.db2.gz QOJPVHXSZPAJGE-HNAYVOBHSA-N 1 2 349.459 4.486 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(C)=O)cc1 ZINC000450981987 1030159183 /nfs/dbraw/zinc/15/91/83/1030159183.db2.gz JRKHKVSQCMGSDB-UHFFFAOYSA-N 1 2 325.456 4.245 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(C)=O)cc1 ZINC000450981987 1030159196 /nfs/dbraw/zinc/15/91/96/1030159196.db2.gz JRKHKVSQCMGSDB-UHFFFAOYSA-N 1 2 325.456 4.245 20 30 EIEDLO C#CCCOc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000113331052 1031361985 /nfs/dbraw/zinc/36/19/85/1031361985.db2.gz CFZSJFODOSHNMZ-HXUWFJFHSA-N 1 2 348.471 4.424 20 30 EIEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC000509767114 1033405688 /nfs/dbraw/zinc/40/56/88/1033405688.db2.gz RWNCTCSFAQPVNH-KRWDZBQOSA-N 1 2 338.451 4.256 20 30 EIEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC000509767114 1033405704 /nfs/dbraw/zinc/40/57/04/1033405704.db2.gz RWNCTCSFAQPVNH-KRWDZBQOSA-N 1 2 338.451 4.256 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000614165799 1033538785 /nfs/dbraw/zinc/53/87/85/1033538785.db2.gz QCFZPCRNYVRREF-IBGZPJMESA-N 1 2 326.827 4.175 20 30 EIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000614165799 1033538794 /nfs/dbraw/zinc/53/87/94/1033538794.db2.gz QCFZPCRNYVRREF-IBGZPJMESA-N 1 2 326.827 4.175 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000614166845 1033549387 /nfs/dbraw/zinc/54/93/87/1033549387.db2.gz SJJBWGJQGDWXOU-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000614166845 1033549405 /nfs/dbraw/zinc/54/94/05/1033549405.db2.gz SJJBWGJQGDWXOU-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663905078 1033581270 /nfs/dbraw/zinc/58/12/70/1033581270.db2.gz FYXTUXKXJHIKFN-UHFFFAOYSA-N 1 2 340.345 4.077 20 30 EIEDLO CC(C)COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512659534 1033646374 /nfs/dbraw/zinc/64/63/74/1033646374.db2.gz HUAIQPAISNBOIW-RDTXWAMCSA-N 1 2 330.403 4.355 20 30 EIEDLO COc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1C#N ZINC000151119674 1034658601 /nfs/dbraw/zinc/65/86/01/1034658601.db2.gz GPMKCHMGNIZZNN-OAQYLSRUSA-N 1 2 348.402 4.048 20 30 EIEDLO C[C@@H](c1cccc(N=Cc2cc(Cl)ccc2O)c1)[NH+]1CCOCC1 ZINC000729148611 1034729140 /nfs/dbraw/zinc/72/91/40/1034729140.db2.gz CKTVURQHSVBVIC-AWEZNQCLSA-N 1 2 344.842 4.189 20 30 EIEDLO C[C@H](c1cccc(N=Cc2cc(Cl)ccc2O)c1)[NH+]1CCOCC1 ZINC000729148617 1034730117 /nfs/dbraw/zinc/73/01/17/1034730117.db2.gz CKTVURQHSVBVIC-CQSZACIVSA-N 1 2 344.842 4.189 20 30 EIEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000594999793 1035526980 /nfs/dbraw/zinc/52/69/80/1035526980.db2.gz FBDVRHWGZSPASO-UHFFFAOYSA-N 1 2 346.425 4.235 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000595617354 1035735853 /nfs/dbraw/zinc/73/58/53/1035735853.db2.gz YUEOPSNVFJDHNG-QGZVFWFLSA-N 1 2 325.481 4.054 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000595617354 1035735878 /nfs/dbraw/zinc/73/58/78/1035735878.db2.gz YUEOPSNVFJDHNG-QGZVFWFLSA-N 1 2 325.481 4.054 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000595613453 1035747942 /nfs/dbraw/zinc/74/79/42/1035747942.db2.gz DEMGBIXPRHVJRN-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000595613453 1035747953 /nfs/dbraw/zinc/74/79/53/1035747953.db2.gz DEMGBIXPRHVJRN-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000485246397 1035791804 /nfs/dbraw/zinc/79/18/04/1035791804.db2.gz BQYJUMWTLVJDIZ-QGZVFWFLSA-N 1 2 340.373 4.074 20 30 EIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000485246397 1035791823 /nfs/dbraw/zinc/79/18/23/1035791823.db2.gz BQYJUMWTLVJDIZ-QGZVFWFLSA-N 1 2 340.373 4.074 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889136 1035803419 /nfs/dbraw/zinc/80/34/19/1035803419.db2.gz HMSDTPVZAAZVRP-HIFRSBDPSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889136 1035803421 /nfs/dbraw/zinc/80/34/21/1035803421.db2.gz HMSDTPVZAAZVRP-HIFRSBDPSA-N 1 2 340.389 4.029 20 30 EIEDLO N#CC1(c2ccc(C[N@@H+]3CCc4c5ccccc5[nH]c4C3)cc2)CC1 ZINC000597022502 1036078153 /nfs/dbraw/zinc/07/81/53/1036078153.db2.gz UIBZFJKRSCCCST-UHFFFAOYSA-N 1 2 327.431 4.281 20 30 EIEDLO N#CC1(c2ccc(C[N@H+]3CCc4c5ccccc5[nH]c4C3)cc2)CC1 ZINC000597022502 1036078172 /nfs/dbraw/zinc/07/81/72/1036078172.db2.gz UIBZFJKRSCCCST-UHFFFAOYSA-N 1 2 327.431 4.281 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597228901 1036161033 /nfs/dbraw/zinc/16/10/33/1036161033.db2.gz ICZTUXAOACKENS-NRFANRHFSA-N 1 2 346.434 4.176 20 30 EIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597228901 1036161052 /nfs/dbraw/zinc/16/10/52/1036161052.db2.gz ICZTUXAOACKENS-NRFANRHFSA-N 1 2 346.434 4.176 20 30 EIEDLO N#CCn1c(/C=C\c2c[nH+]c3ccc(Cl)cn23)nc2ccccc21 ZINC000486075085 1036463786 /nfs/dbraw/zinc/46/37/86/1036463786.db2.gz IHUKMPRKCNNKJC-VURMDHGXSA-N 1 2 333.782 4.031 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000590959765 1037213900 /nfs/dbraw/zinc/21/39/00/1037213900.db2.gz BWTRGUVJMHOJAK-NRFANRHFSA-N 1 2 349.482 4.186 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000590959765 1037213926 /nfs/dbraw/zinc/21/39/26/1037213926.db2.gz BWTRGUVJMHOJAK-NRFANRHFSA-N 1 2 349.482 4.186 20 30 EIEDLO Fc1ccc2c(c1)CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001168400258 1037300556 /nfs/dbraw/zinc/30/05/56/1037300556.db2.gz KQYKCGMQIIKWGK-NSHDSACASA-N 1 2 347.249 4.106 20 30 EIEDLO N#CCC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000591153010 1037305291 /nfs/dbraw/zinc/30/52/91/1037305291.db2.gz FRMILIIDGUARQA-UHFFFAOYSA-N 1 2 330.229 4.127 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C2CC2)cc1 ZINC000604512493 1037419948 /nfs/dbraw/zinc/41/99/48/1037419948.db2.gz KMPNTJJHUAWVOZ-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C2CC2)cc1 ZINC000604512493 1037419975 /nfs/dbraw/zinc/41/99/75/1037419975.db2.gz KMPNTJJHUAWVOZ-UHFFFAOYSA-N 1 2 346.409 4.048 20 30 EIEDLO N#Cc1cnccc1C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000592121648 1037735340 /nfs/dbraw/zinc/73/53/40/1037735340.db2.gz XXBXAABUSSDBLF-UHFFFAOYSA-N 1 2 329.806 4.067 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)nc1 ZINC000593961726 1037996509 /nfs/dbraw/zinc/99/65/09/1037996509.db2.gz LIYMPTVDXKGZBE-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)nc1 ZINC000593961726 1037996527 /nfs/dbraw/zinc/99/65/27/1037996527.db2.gz LIYMPTVDXKGZBE-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000489431240 1038046373 /nfs/dbraw/zinc/04/63/73/1038046373.db2.gz DRUXWFCUGSVJQD-JKSUJKDBSA-N 1 2 343.496 4.060 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000489431240 1038046391 /nfs/dbraw/zinc/04/63/91/1038046391.db2.gz DRUXWFCUGSVJQD-JKSUJKDBSA-N 1 2 343.496 4.060 20 30 EIEDLO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(F)cc1C#N ZINC000489596808 1038154193 /nfs/dbraw/zinc/15/41/93/1038154193.db2.gz MWUIJEKAGZBAEI-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(F)cc1C#N ZINC000489596808 1038154241 /nfs/dbraw/zinc/15/42/41/1038154241.db2.gz MWUIJEKAGZBAEI-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000594028268 1038222423 /nfs/dbraw/zinc/22/24/23/1038222423.db2.gz KATGHBMXCUSGTG-UHFFFAOYSA-N 1 2 332.325 4.015 20 30 EIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000594028268 1038222436 /nfs/dbraw/zinc/22/24/36/1038222436.db2.gz KATGHBMXCUSGTG-UHFFFAOYSA-N 1 2 332.325 4.015 20 30 EIEDLO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)c1 ZINC000046526993 1038288271 /nfs/dbraw/zinc/28/82/71/1038288271.db2.gz QREYTKVILZYDGA-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)c1 ZINC000046526993 1038288285 /nfs/dbraw/zinc/28/82/85/1038288285.db2.gz QREYTKVILZYDGA-UHFFFAOYSA-N 1 2 349.459 4.322 20 30 EIEDLO C[N@H+](Cc1csc(-c2cccs2)n1)Cc1ccc(C#N)cc1 ZINC000046527294 1038288457 /nfs/dbraw/zinc/28/84/57/1038288457.db2.gz IQCORKNCCBJFMD-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1ccc(C#N)cc1 ZINC000046527294 1038288479 /nfs/dbraw/zinc/28/84/79/1038288479.db2.gz IQCORKNCCBJFMD-UHFFFAOYSA-N 1 2 325.462 4.375 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000490051071 1038324308 /nfs/dbraw/zinc/32/43/08/1038324308.db2.gz UGFSHBLPUJFBPU-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000490051071 1038324323 /nfs/dbraw/zinc/32/43/23/1038324323.db2.gz UGFSHBLPUJFBPU-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO Brc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000912828135 1038349360 /nfs/dbraw/zinc/34/93/60/1038349360.db2.gz RBCNEJSHWFNIRB-UHFFFAOYSA-N 1 2 341.212 4.081 20 30 EIEDLO Cc1[nH+]c2ccc(Br)cc2c(N(C)C[C@H](C)C#N)c1C ZINC000539187845 1038869383 /nfs/dbraw/zinc/86/93/83/1038869383.db2.gz RYADQCNIXJQJBD-SNVBAGLBSA-N 1 2 332.245 4.210 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000537622462 1038986980 /nfs/dbraw/zinc/98/69/80/1038986980.db2.gz XUNKCVVWUJZHAW-YGPFGLLOSA-N 1 2 347.418 4.380 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000537622462 1038986989 /nfs/dbraw/zinc/98/69/89/1038986989.db2.gz XUNKCVVWUJZHAW-YGPFGLLOSA-N 1 2 347.418 4.380 20 30 EIEDLO C=CCC[C@H](Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)c1ccco1 ZINC000552265167 1039324287 /nfs/dbraw/zinc/32/42/87/1039324287.db2.gz MODBFFHZMGXLAM-BQFCYCMXSA-N 1 2 341.455 4.408 20 30 EIEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)cc1OC ZINC000600148317 1039330647 /nfs/dbraw/zinc/33/06/47/1039330647.db2.gz RJBRTRMPBTYCIV-UHFFFAOYSA-N 1 2 334.847 4.039 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000552405771 1039468586 /nfs/dbraw/zinc/46/85/86/1039468586.db2.gz ZHYFLGONEBKXIJ-OAHLLOKOSA-N 1 2 344.480 4.080 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000552405771 1039468611 /nfs/dbraw/zinc/46/86/11/1039468611.db2.gz ZHYFLGONEBKXIJ-OAHLLOKOSA-N 1 2 344.480 4.080 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1 ZINC000491229918 1039728202 /nfs/dbraw/zinc/72/82/02/1039728202.db2.gz JUOIMGZKSCNLPE-IBGZPJMESA-N 1 2 333.822 4.261 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc([C@@H](C)SCC)no1 ZINC000123139906 1039885619 /nfs/dbraw/zinc/88/56/19/1039885619.db2.gz UPUVXDMGUGSPGF-OAHLLOKOSA-N 1 2 331.485 4.114 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc([C@@H](C)SCC)no1 ZINC000123139906 1039885628 /nfs/dbraw/zinc/88/56/28/1039885628.db2.gz UPUVXDMGUGSPGF-OAHLLOKOSA-N 1 2 331.485 4.114 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760539533 1040048202 /nfs/dbraw/zinc/04/82/02/1040048202.db2.gz VWEKMYKSSKPWNG-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760539533 1040048224 /nfs/dbraw/zinc/04/82/24/1040048224.db2.gz VWEKMYKSSKPWNG-UHFFFAOYSA-N 1 2 348.541 4.408 20 30 EIEDLO C=CC(C)(C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000898457721 1040885860 /nfs/dbraw/zinc/88/58/60/1040885860.db2.gz SKCJOABEFRBZBV-UHFFFAOYSA-N 1 2 329.469 4.190 20 30 EIEDLO N#Cc1csc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000436156983 1040914440 /nfs/dbraw/zinc/91/44/40/1040914440.db2.gz AOXMUBIQYYWBQS-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO O=C(Nc1ccccc1)[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000483935013 1041069649 /nfs/dbraw/zinc/06/96/49/1041069649.db2.gz QXFFOUHZZMRQGI-QFIPXVFZSA-N 1 2 340.426 4.008 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000484001753 1041086341 /nfs/dbraw/zinc/08/63/41/1041086341.db2.gz FELZVHJRHSUZIM-UHFFFAOYSA-N 1 2 341.252 4.073 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000484001753 1041086357 /nfs/dbraw/zinc/08/63/57/1041086357.db2.gz FELZVHJRHSUZIM-UHFFFAOYSA-N 1 2 341.252 4.073 20 30 EIEDLO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1Br ZINC000480748951 1041504531 /nfs/dbraw/zinc/50/45/31/1041504531.db2.gz MZAUYHHYYJVHCO-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1Br ZINC000480748951 1041504545 /nfs/dbraw/zinc/50/45/45/1041504545.db2.gz MZAUYHHYYJVHCO-UHFFFAOYSA-N 1 2 333.229 4.324 20 30 EIEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437427485 1041798563 /nfs/dbraw/zinc/79/85/63/1041798563.db2.gz KPOXVSXSXBIGAJ-GFCCVEGCSA-N 1 2 334.341 4.492 20 30 EIEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437427485 1041798567 /nfs/dbraw/zinc/79/85/67/1041798567.db2.gz KPOXVSXSXBIGAJ-GFCCVEGCSA-N 1 2 334.341 4.492 20 30 EIEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(OC)cc1 ZINC000464866021 1042208319 /nfs/dbraw/zinc/20/83/19/1042208319.db2.gz BEHQDTUKEBFTLB-UHFFFAOYSA-N 1 2 326.371 4.164 20 30 EIEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(OC)cc1 ZINC000464866021 1042208322 /nfs/dbraw/zinc/20/83/22/1042208322.db2.gz BEHQDTUKEBFTLB-UHFFFAOYSA-N 1 2 326.371 4.164 20 30 EIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542279364 1042367524 /nfs/dbraw/zinc/36/75/24/1042367524.db2.gz FXURNNQBBYSUFD-YWZLYKJASA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542279364 1042367528 /nfs/dbraw/zinc/36/75/28/1042367528.db2.gz FXURNNQBBYSUFD-YWZLYKJASA-N 1 2 340.854 4.368 20 30 EIEDLO C#C[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(Cl)cc1F ZINC000491616167 1042481865 /nfs/dbraw/zinc/48/18/65/1042481865.db2.gz ADTNAQXQUNDJEN-YJYMSZOUSA-N 1 2 342.801 4.234 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccsc2)s1)c1ccc(F)cc1 ZINC000491641238 1042484086 /nfs/dbraw/zinc/48/40/86/1042484086.db2.gz PSDGTUDIZQZSNW-MRXNPFEDSA-N 1 2 328.437 4.475 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000491670292 1042486305 /nfs/dbraw/zinc/48/63/05/1042486305.db2.gz DIMKFZQZESMFSG-MRXNPFEDSA-N 1 2 339.851 4.323 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000491702396 1042490250 /nfs/dbraw/zinc/49/02/50/1042490250.db2.gz WAUITSZZSHVRKM-CVEARBPZSA-N 1 2 332.856 4.112 20 30 EIEDLO C[C@@H]1CCc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)sc2C1 ZINC000506547157 1042587016 /nfs/dbraw/zinc/58/70/16/1042587016.db2.gz PELUZYGEDLWSDC-CQSZACIVSA-N 1 2 337.492 4.304 20 30 EIEDLO C[C@@H]1CCc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)sc2C1 ZINC000506547157 1042587020 /nfs/dbraw/zinc/58/70/20/1042587020.db2.gz PELUZYGEDLWSDC-CQSZACIVSA-N 1 2 337.492 4.304 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000518655138 1042608233 /nfs/dbraw/zinc/60/82/33/1042608233.db2.gz XFLJTJHXIZRHDB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000518655138 1042608241 /nfs/dbraw/zinc/60/82/41/1042608241.db2.gz XFLJTJHXIZRHDB-QGZVFWFLSA-N 1 2 342.240 4.053 20 30 EIEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(Br)o1 ZINC000426385707 1042621569 /nfs/dbraw/zinc/62/15/69/1042621569.db2.gz QKPNQCNWMJOTLN-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(Br)o1 ZINC000426385707 1042621572 /nfs/dbraw/zinc/62/15/72/1042621572.db2.gz QKPNQCNWMJOTLN-UHFFFAOYSA-N 1 2 338.632 4.179 20 30 EIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000120941598 1043092126 /nfs/dbraw/zinc/09/21/26/1043092126.db2.gz PCUQJGGWDHCYEG-UHFFFAOYSA-N 1 2 346.352 4.019 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727823817 1043317892 /nfs/dbraw/zinc/31/78/92/1043317892.db2.gz KXDBUZMKVJDTSO-KRWDZBQOSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727823817 1043317896 /nfs/dbraw/zinc/31/78/96/1043317896.db2.gz KXDBUZMKVJDTSO-KRWDZBQOSA-N 1 2 342.512 4.407 20 30 EIEDLO CC1(C)CC[N@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000311941420 1043367861 /nfs/dbraw/zinc/36/78/61/1043367861.db2.gz HZVCZPMSKJEQJR-UHFFFAOYSA-N 1 2 339.302 4.038 20 30 EIEDLO CC1(C)CC[N@@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000311941420 1043367869 /nfs/dbraw/zinc/36/78/69/1043367869.db2.gz HZVCZPMSKJEQJR-UHFFFAOYSA-N 1 2 339.302 4.038 20 30 EIEDLO COc1cc(C(C)=NNc2cc[nH+]c3ccccc23)ccc1SC ZINC000730148574 1043455985 /nfs/dbraw/zinc/45/59/85/1043455985.db2.gz XLWPOEBPINGIBI-UHFFFAOYSA-N 1 2 337.448 4.223 20 30 EIEDLO Fc1ccc(Br)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148372 1043456203 /nfs/dbraw/zinc/45/62/03/1043456203.db2.gz RTPJCOJIIKJRQK-UHFFFAOYSA-N 1 2 344.187 4.004 20 30 EIEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674463156 1043697809 /nfs/dbraw/zinc/69/78/09/1043697809.db2.gz MWDKTSKMWFADRX-AOOOYVTPSA-N 1 2 345.258 4.007 20 30 EIEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000674463156 1043697820 /nfs/dbraw/zinc/69/78/20/1043697820.db2.gz MWDKTSKMWFADRX-AOOOYVTPSA-N 1 2 345.258 4.007 20 30 EIEDLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC#Cc2ccccc2)C1 ZINC000683004998 1043882791 /nfs/dbraw/zinc/88/27/91/1043882791.db2.gz VAWOFMUHPYUOMP-OKILXGFUSA-N 1 2 335.291 4.101 20 30 EIEDLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC#Cc2ccccc2)C1 ZINC000683004998 1043882793 /nfs/dbraw/zinc/88/27/93/1043882793.db2.gz VAWOFMUHPYUOMP-OKILXGFUSA-N 1 2 335.291 4.101 20 30 EIEDLO C[N@H+](Cc1ncc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1 ZINC000173471736 1043978728 /nfs/dbraw/zinc/97/87/28/1043978728.db2.gz NVYBEKMXPUPEGT-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1 ZINC000173471736 1043978743 /nfs/dbraw/zinc/97/87/43/1043978743.db2.gz NVYBEKMXPUPEGT-UHFFFAOYSA-N 1 2 337.810 4.499 20 30 EIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000347954625 1044338244 /nfs/dbraw/zinc/33/82/44/1044338244.db2.gz HTNKTBCPRRHIRM-UHFFFAOYSA-N 1 2 341.414 4.012 20 30 EIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000347954625 1044338266 /nfs/dbraw/zinc/33/82/66/1044338266.db2.gz HTNKTBCPRRHIRM-UHFFFAOYSA-N 1 2 341.414 4.012 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757880 1044445580 /nfs/dbraw/zinc/44/55/80/1044445580.db2.gz VOXUJXCRGKMSNE-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757880 1044445598 /nfs/dbraw/zinc/44/55/98/1044445598.db2.gz VOXUJXCRGKMSNE-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO Cc1cccc(-n2ccn(C[N@@H+](C)Cc3ccc(C#N)cc3)c2=S)c1 ZINC000914783128 1044770501 /nfs/dbraw/zinc/77/05/01/1044770501.db2.gz GOXDTDAQQIDSCR-UHFFFAOYSA-N 1 2 348.475 4.278 20 30 EIEDLO Cc1cccc(-n2ccn(C[N@H+](C)Cc3ccc(C#N)cc3)c2=S)c1 ZINC000914783128 1044770519 /nfs/dbraw/zinc/77/05/19/1044770519.db2.gz GOXDTDAQQIDSCR-UHFFFAOYSA-N 1 2 348.475 4.278 20 30 EIEDLO CC(C)([NH2+]Cc1csc(C#N)c1)c1nc2cc(Cl)ccc2o1 ZINC000895700636 1044853560 /nfs/dbraw/zinc/85/35/60/1044853560.db2.gz YFAPMGSDUQNQIB-UHFFFAOYSA-N 1 2 331.828 4.439 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428962589 1044907369 /nfs/dbraw/zinc/90/73/69/1044907369.db2.gz KOSQBMVNCQNENY-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428962589 1044907394 /nfs/dbraw/zinc/90/73/94/1044907394.db2.gz KOSQBMVNCQNENY-SFHVURJKSA-N 1 2 332.806 4.170 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1cccs1 ZINC000027220277 1044955424 /nfs/dbraw/zinc/95/54/24/1044955424.db2.gz PPIABJRKRLDTDK-FQEVSTJZSA-N 1 2 340.492 4.004 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1cccs1 ZINC000027220277 1044955435 /nfs/dbraw/zinc/95/54/35/1044955435.db2.gz PPIABJRKRLDTDK-FQEVSTJZSA-N 1 2 340.492 4.004 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(OC(F)(F)F)cc1 ZINC000740764820 1045220074 /nfs/dbraw/zinc/22/00/74/1045220074.db2.gz HDESHEYKNINWQQ-TWGQIWQCSA-N 1 2 332.281 4.129 20 30 EIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(OC(F)(F)F)cc1 ZINC000740764819 1045220909 /nfs/dbraw/zinc/22/09/09/1045220909.db2.gz HDESHEYKNINWQQ-RMKNXTFCSA-N 1 2 332.281 4.129 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740858015 1045230460 /nfs/dbraw/zinc/23/04/60/1045230460.db2.gz BXSFYPKXCLRMSE-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740858015 1045230471 /nfs/dbraw/zinc/23/04/71/1045230471.db2.gz BXSFYPKXCLRMSE-JKSUJKDBSA-N 1 2 342.512 4.263 20 30 EIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1OC(F)F ZINC000611254340 1045266285 /nfs/dbraw/zinc/26/62/85/1045266285.db2.gz WMLXWKPOHWYTJA-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1OC(F)F ZINC000611254340 1045266295 /nfs/dbraw/zinc/26/62/95/1045266295.db2.gz WMLXWKPOHWYTJA-UHFFFAOYSA-N 1 2 336.769 4.445 20 30 EIEDLO Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000455480033 1045690870 /nfs/dbraw/zinc/69/08/70/1045690870.db2.gz GWUVADCSGMZTOH-OALUTQOASA-N 1 2 348.450 4.311 20 30 EIEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000768155207 1045727266 /nfs/dbraw/zinc/72/72/66/1045727266.db2.gz VEDGFJZTGRQWJT-UHFFFAOYSA-N 1 2 346.425 4.139 20 30 EIEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000768155207 1045727281 /nfs/dbraw/zinc/72/72/81/1045727281.db2.gz VEDGFJZTGRQWJT-UHFFFAOYSA-N 1 2 346.425 4.139 20 30 EIEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000781129831 1045815791 /nfs/dbraw/zinc/81/57/91/1045815791.db2.gz LXWYZRWXRFUHSB-UHFFFAOYSA-N 1 2 330.382 4.186 20 30 EIEDLO Fc1ccc(F)c(CN[NH+]=Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000763357037 1045923231 /nfs/dbraw/zinc/92/32/31/1045923231.db2.gz WIBMFQUHNCOLRN-UHFFFAOYSA-N 1 2 349.812 4.342 20 30 EIEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC12CCC2 ZINC001168508958 1045951921 /nfs/dbraw/zinc/95/19/21/1045951921.db2.gz FTWYCYYAKZGHKS-CYBMUJFWSA-N 1 2 333.273 4.333 20 30 EIEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC12CCC2 ZINC001168508958 1045951929 /nfs/dbraw/zinc/95/19/29/1045951929.db2.gz FTWYCYYAKZGHKS-CYBMUJFWSA-N 1 2 333.273 4.333 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000916262814 1045973850 /nfs/dbraw/zinc/97/38/50/1045973850.db2.gz OUYHPOVMDNGXEX-UHFFFAOYSA-N 1 2 329.831 4.013 20 30 EIEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc3ccccc3n2)cc1 ZINC000916285933 1045979293 /nfs/dbraw/zinc/97/92/93/1045979293.db2.gz QIAOMNNRFGCNBC-UHFFFAOYSA-N 1 2 329.407 4.031 20 30 EIEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000792636088 1046011040 /nfs/dbraw/zinc/01/10/40/1046011040.db2.gz RUSBHUYBCLPONW-UHFFFAOYSA-N 1 2 344.802 4.052 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(N2CCCCC2)c(F)c1 ZINC000769608620 1046032460 /nfs/dbraw/zinc/03/24/60/1046032460.db2.gz VSIBWDGVHQSKPU-CSKARUKUSA-N 1 2 349.409 4.360 20 30 EIEDLO O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769608153 1046033958 /nfs/dbraw/zinc/03/39/58/1046033958.db2.gz QHOJRJDOZAHYTF-KXWVESJESA-N 1 2 345.358 4.072 20 30 EIEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000459407920 1046628956 /nfs/dbraw/zinc/62/89/56/1046628956.db2.gz WAUBLSJTAMZEMG-AWEZNQCLSA-N 1 2 335.407 4.196 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000536677308 1046665561 /nfs/dbraw/zinc/66/55/61/1046665561.db2.gz JSVONJHQDSHEPK-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000459463370 1046701271 /nfs/dbraw/zinc/70/12/71/1046701271.db2.gz LFWVBTDXVAFUDN-LZLYRXPVSA-N 1 2 349.434 4.088 20 30 EIEDLO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000806147925 1047172989 /nfs/dbraw/zinc/17/29/89/1047172989.db2.gz OPPZNQBVCSDDFA-QGZVFWFLSA-N 1 2 330.815 4.037 20 30 EIEDLO C#CCC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCCC1 ZINC000788582351 1047235974 /nfs/dbraw/zinc/23/59/74/1047235974.db2.gz BLZCQFCCLWKVAT-UHFFFAOYSA-N 1 2 345.512 4.041 20 30 EIEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC001170507639 1047256993 /nfs/dbraw/zinc/25/69/93/1047256993.db2.gz OKCWIAALDZECDR-KRWDZBQOSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC001170507639 1047257009 /nfs/dbraw/zinc/25/70/09/1047257009.db2.gz OKCWIAALDZECDR-KRWDZBQOSA-N 1 2 335.234 4.030 20 30 EIEDLO N#Cc1ccc(CNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)cc1F ZINC001170090622 1047320957 /nfs/dbraw/zinc/32/09/57/1047320957.db2.gz IZJDBRHLHMCICC-UHFFFAOYSA-N 1 2 335.304 4.298 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069068754 1047322995 /nfs/dbraw/zinc/32/29/95/1047322995.db2.gz AIBYKZNIUHZDTP-AWEZNQCLSA-N 1 2 330.453 4.189 20 30 EIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069068754 1047323012 /nfs/dbraw/zinc/32/30/12/1047323012.db2.gz AIBYKZNIUHZDTP-AWEZNQCLSA-N 1 2 330.453 4.189 20 30 EIEDLO C=C(C)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000044172744 1047632072 /nfs/dbraw/zinc/63/20/72/1047632072.db2.gz QDWCSIPIPQDXIZ-UHFFFAOYSA-N 1 2 348.903 4.185 20 30 EIEDLO N#CCOc1ccc(CNc2[nH+]cccc2OCc2ccccc2)cc1 ZINC000760520869 1047812876 /nfs/dbraw/zinc/81/28/76/1047812876.db2.gz YZBAQBQBZCRVFU-UHFFFAOYSA-N 1 2 345.402 4.175 20 30 EIEDLO Cc1cccc(C[NH+](Cc2cccc(C#N)c2)Cc2cccc(C)n2)n1 ZINC000083595309 1047820623 /nfs/dbraw/zinc/82/06/23/1047820623.db2.gz YICRAXBUUGOHEO-UHFFFAOYSA-N 1 2 342.446 4.168 20 30 EIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808786724 1048109691 /nfs/dbraw/zinc/10/96/91/1048109691.db2.gz CTEARFCKCHEFSY-FCHUYYIVSA-N 1 2 346.405 4.262 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052149 1048124556 /nfs/dbraw/zinc/12/45/56/1048124556.db2.gz AFSRRANDABQTSC-HZPDHXFCSA-N 1 2 340.492 4.102 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052149 1048124558 /nfs/dbraw/zinc/12/45/58/1048124558.db2.gz AFSRRANDABQTSC-HZPDHXFCSA-N 1 2 340.492 4.102 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000499065511 1048139459 /nfs/dbraw/zinc/13/94/59/1048139459.db2.gz SQFDTZFDEBSDKT-MRXNPFEDSA-N 1 2 340.492 4.104 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000499065511 1048139470 /nfs/dbraw/zinc/13/94/70/1048139470.db2.gz SQFDTZFDEBSDKT-MRXNPFEDSA-N 1 2 340.492 4.104 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1F ZINC000809700140 1048465047 /nfs/dbraw/zinc/46/50/47/1048465047.db2.gz YCRVLAFPFWIMFF-QGZVFWFLSA-N 1 2 334.797 4.148 20 30 EIEDLO Oc1ccc2ccccc2c1/C=N\Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920386878 1048663687 /nfs/dbraw/zinc/66/36/87/1048663687.db2.gz HUVIFOIOJLMYNI-CFRMEGHHSA-N 1 2 345.377 4.489 20 30 EIEDLO CC(C)CC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171189417 1048685141 /nfs/dbraw/zinc/68/51/41/1048685141.db2.gz FYLWXOFPXGQSFM-APWZRJJASA-N 1 2 344.499 4.225 20 30 EIEDLO C#CCOc1ccccc1C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806145625 1048725065 /nfs/dbraw/zinc/72/50/65/1048725065.db2.gz DULFIGLAAIHQJS-QGZVFWFLSA-N 1 2 329.827 4.299 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000135180891 1049082858 /nfs/dbraw/zinc/08/28/58/1049082858.db2.gz VEUZOCXWMDXBMO-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000135180891 1049082870 /nfs/dbraw/zinc/08/28/70/1049082870.db2.gz VEUZOCXWMDXBMO-FQEVSTJZSA-N 1 2 338.426 4.200 20 30 EIEDLO N#CC1(c2cc[nH+]c(N[C@@H](Cc3ccccc3)c3nccs3)c2)CC1 ZINC001170659142 1049351805 /nfs/dbraw/zinc/35/18/05/1049351805.db2.gz BAQMJGVTYJJYFZ-KRWDZBQOSA-N 1 2 346.459 4.489 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1cc(-c2ccncc2)ccc1OC)c1ccc(F)cc1 ZINC000812792234 1049590239 /nfs/dbraw/zinc/59/02/39/1049590239.db2.gz QKEVRSMMLNGEIY-OAQYLSRUSA-N 1 2 346.405 4.360 20 30 EIEDLO Fc1cccc2c1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171397515 1049614024 /nfs/dbraw/zinc/61/40/24/1049614024.db2.gz QWCSDPYDNPBNHR-VIFPVBQESA-N 1 2 347.249 4.106 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C#N)CCCC2)C[C@H]1C(C)(C)C ZINC001171592255 1049752164 /nfs/dbraw/zinc/75/21/64/1049752164.db2.gz ZWOQDCCBJPKAIM-HOTGVXAUSA-N 1 2 349.519 4.227 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C#N)CCCC2)C[C@H]1C(C)(C)C ZINC001171592254 1049752535 /nfs/dbraw/zinc/75/25/35/1049752535.db2.gz ZWOQDCCBJPKAIM-CVEARBPZSA-N 1 2 349.519 4.227 20 30 EIEDLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)ccc21 ZINC001171641281 1049778413 /nfs/dbraw/zinc/77/84/13/1049778413.db2.gz JDPGSEJSITYHDT-LSDHHAIUSA-N 1 2 348.450 4.033 20 30 EIEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172090297 1049848574 /nfs/dbraw/zinc/84/85/74/1049848574.db2.gz OIUZPTDIIMTNOB-AXVVYFOYSA-N 1 2 349.519 4.225 20 30 EIEDLO CCCCCCC[C@H](CCC)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001172509057 1049925987 /nfs/dbraw/zinc/92/59/87/1049925987.db2.gz RTZBPZQVDZNJAJ-RBUKOAKNSA-N 1 2 334.504 4.285 20 30 EIEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](CCC#N)Cc1cccnc1 ZINC001172864505 1050175137 /nfs/dbraw/zinc/17/51/37/1050175137.db2.gz SLPLJTNPXJTVNU-AWEZNQCLSA-N 1 2 331.822 4.221 20 30 EIEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172864505 1050175147 /nfs/dbraw/zinc/17/51/47/1050175147.db2.gz SLPLJTNPXJTVNU-AWEZNQCLSA-N 1 2 331.822 4.221 20 30 EIEDLO Cc1cccc(CCCNc2cc(Br)ccc2C#N)[nH+]1 ZINC001186387938 1050304714 /nfs/dbraw/zinc/30/47/14/1050304714.db2.gz KTFGFZAAINECQX-UHFFFAOYSA-N 1 2 330.229 4.069 20 30 EIEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350896 1051210699 /nfs/dbraw/zinc/21/06/99/1051210699.db2.gz VUWSREAUEYUANI-WPRPVWTQSA-N 1 2 345.258 4.497 20 30 EIEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cccc1OC(F)(F)F ZINC001181350896 1051210712 /nfs/dbraw/zinc/21/07/12/1051210712.db2.gz VUWSREAUEYUANI-WPRPVWTQSA-N 1 2 345.258 4.497 20 30 EIEDLO N#Cc1ccnc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC001190912159 1051311100 /nfs/dbraw/zinc/31/11/00/1051311100.db2.gz BPOQXHOKUZCADH-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO N#Cc1ccnc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC001190912159 1051311109 /nfs/dbraw/zinc/31/11/09/1051311109.db2.gz BPOQXHOKUZCADH-UHFFFAOYSA-N 1 2 327.378 4.176 20 30 EIEDLO N#Cc1cccc(Br)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350856 1051541991 /nfs/dbraw/zinc/54/19/91/1051541991.db2.gz IOLCTSHVVHCTNL-UHFFFAOYSA-N 1 2 343.228 4.060 20 30 EIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2cc(F)cc(C#N)c2)cc[nH+]1 ZINC001175680317 1051728236 /nfs/dbraw/zinc/72/82/36/1051728236.db2.gz VCWKOOMBDPUHFT-UHFFFAOYSA-N 1 2 328.347 4.183 20 30 EIEDLO C=C(C)C[C@@H]([NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001183311421 1051823739 /nfs/dbraw/zinc/82/37/39/1051823739.db2.gz CSOHEMIALQQOLQ-GOEBONIOSA-N 1 2 344.282 4.412 20 30 EIEDLO CCCCCCCOC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001193995537 1052057390 /nfs/dbraw/zinc/05/73/90/1052057390.db2.gz RYASMZQFJAXFMS-UHFFFAOYSA-N 1 2 333.476 4.036 20 30 EIEDLO C=CC[NH+](CC=C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000580542428 1052619762 /nfs/dbraw/zinc/61/97/62/1052619762.db2.gz HNUZYZXERBUEPO-FQEVSTJZSA-N 1 2 336.435 4.049 20 30 EIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1C1CC1 ZINC000073349939 1052872385 /nfs/dbraw/zinc/87/23/85/1052872385.db2.gz DXESTTWGDZAERJ-KRWDZBQOSA-N 1 2 340.496 4.272 20 30 EIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1C1CC1 ZINC000073349939 1052872387 /nfs/dbraw/zinc/87/23/87/1052872387.db2.gz DXESTTWGDZAERJ-KRWDZBQOSA-N 1 2 340.496 4.272 20 30 EIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137526420 1053208415 /nfs/dbraw/zinc/20/84/15/1053208415.db2.gz OIJKKRYCJLRQQW-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137526420 1053208441 /nfs/dbraw/zinc/20/84/41/1053208441.db2.gz OIJKKRYCJLRQQW-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000794689373 1053294498 /nfs/dbraw/zinc/29/44/98/1053294498.db2.gz BDCBPYFFMRXNCU-SREVYHEPSA-N 1 2 340.370 4.120 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000764974183 1053394635 /nfs/dbraw/zinc/39/46/35/1053394635.db2.gz XRVXXAMQZUBCLA-MRXNPFEDSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000764974183 1053394646 /nfs/dbraw/zinc/39/46/46/1053394646.db2.gz XRVXXAMQZUBCLA-MRXNPFEDSA-N 1 2 342.512 4.407 20 30 EIEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566519 1053437186 /nfs/dbraw/zinc/43/71/86/1053437186.db2.gz JYVUXCAIEFPNHP-GOSISDBHSA-N 1 2 348.446 4.071 20 30 EIEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566519 1053437188 /nfs/dbraw/zinc/43/71/88/1053437188.db2.gz JYVUXCAIEFPNHP-GOSISDBHSA-N 1 2 348.446 4.071 20 30 EIEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852099616 1053550247 /nfs/dbraw/zinc/55/02/47/1053550247.db2.gz NPXVMEOGOCBDKY-BZNIZROVSA-N 1 2 337.345 4.208 20 30 EIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(OC(F)F)cc1 ZINC000866220284 1053654220 /nfs/dbraw/zinc/65/42/20/1053654220.db2.gz FLZWICWOZPECGB-VXGBXAGGSA-N 1 2 332.350 4.277 20 30 EIEDLO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1O ZINC000866267909 1053668505 /nfs/dbraw/zinc/66/85/05/1053668505.db2.gz ILZXEKMPVPKYFS-YWZLYKJASA-N 1 2 336.435 4.082 20 30 EIEDLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853526132 1053682139 /nfs/dbraw/zinc/68/21/39/1053682139.db2.gz NFEKBZXOJCZCAW-KRWDZBQOSA-N 1 2 340.496 4.208 20 30 EIEDLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853526132 1053682144 /nfs/dbraw/zinc/68/21/44/1053682144.db2.gz NFEKBZXOJCZCAW-KRWDZBQOSA-N 1 2 340.496 4.208 20 30 EIEDLO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866311903 1053687155 /nfs/dbraw/zinc/68/71/55/1053687155.db2.gz WVJYUDGLROUFEL-YRNRMSPPSA-N 1 2 336.435 4.082 20 30 EIEDLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)c1OC ZINC000866358361 1053702614 /nfs/dbraw/zinc/70/26/14/1053702614.db2.gz XSGFHJZWCCXRBE-KGLIPLIRSA-N 1 2 340.423 4.001 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775735742 1053725710 /nfs/dbraw/zinc/72/57/10/1053725710.db2.gz TVHDPMKPECIURF-SJLPKXTDSA-N 1 2 326.827 4.317 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775735742 1053725723 /nfs/dbraw/zinc/72/57/23/1053725723.db2.gz TVHDPMKPECIURF-SJLPKXTDSA-N 1 2 326.827 4.317 20 30 EIEDLO C=CCC[C@H]([NH2+]Cc1ncc(Br)s1)c1ccco1 ZINC000866621046 1053810141 /nfs/dbraw/zinc/81/01/41/1053810141.db2.gz XRGKMIBPLFWVHH-JTQLQIEISA-N 1 2 327.247 4.296 20 30 EIEDLO C[C@H]1Cc2[nH]ncc2C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785138 1053995364 /nfs/dbraw/zinc/99/53/64/1053995364.db2.gz BDMJMIQORWKTMT-INIZCTEOSA-N 1 2 342.446 4.143 20 30 EIEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050863 1054362870 /nfs/dbraw/zinc/36/28/70/1054362870.db2.gz CZUMPWDELNJCSR-CZUORRHYSA-N 1 2 327.359 4.430 20 30 EIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nc(C)cs1 ZINC000347612917 1054797424 /nfs/dbraw/zinc/79/74/24/1054797424.db2.gz IHPOEOGFJRCMKZ-ZDUSSCGKSA-N 1 2 337.395 4.166 20 30 EIEDLO COC(=O)c1sc(Nc2ccc([NH2+]C(C)C)cc2)c(C#N)c1C ZINC001201488447 1054817618 /nfs/dbraw/zinc/81/76/18/1054817618.db2.gz QUNMFYPBTARRGD-UHFFFAOYSA-N 1 2 329.425 4.279 20 30 EIEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000877472418 1055058474 /nfs/dbraw/zinc/05/84/74/1055058474.db2.gz SGBBRNGMUUPRHE-GFCCVEGCSA-N 1 2 331.769 4.017 20 30 EIEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000877472418 1055058491 /nfs/dbraw/zinc/05/84/91/1055058491.db2.gz SGBBRNGMUUPRHE-GFCCVEGCSA-N 1 2 331.769 4.017 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815696 1055337115 /nfs/dbraw/zinc/33/71/15/1055337115.db2.gz VSLWLZJUJFOBAS-UHFFFAOYSA-N 1 2 327.653 4.228 20 30 EIEDLO N#Cc1cccc(Cl)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301332006 1055922438 /nfs/dbraw/zinc/92/24/38/1055922438.db2.gz BOOAOODZKQLGDL-UHFFFAOYSA-N 1 2 326.831 4.209 20 30 EIEDLO COc1ccc(Cl)cc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000741469252 1058225944 /nfs/dbraw/zinc/22/59/44/1058225944.db2.gz YWZKBOBEYRTLTC-VOTSOKGWSA-N 1 2 326.783 4.201 20 30 EIEDLO C#CCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000766274747 1058333413 /nfs/dbraw/zinc/33/34/13/1058333413.db2.gz GLXAGTDCRPDNGB-ZDUSSCGKSA-N 1 2 348.903 4.049 20 30 EIEDLO COc1cc(C)ccc1C(=O)/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000737444769 1058350713 /nfs/dbraw/zinc/35/07/13/1058350713.db2.gz TZQWKHOCOQJBJV-FNORWQNLSA-N 1 2 326.783 4.201 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000742153976 1058535431 /nfs/dbraw/zinc/53/54/31/1058535431.db2.gz BDMRUQYNBXELCO-CABCVRRESA-N 1 2 346.500 4.328 20 30 EIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000742153976 1058535449 /nfs/dbraw/zinc/53/54/49/1058535449.db2.gz BDMRUQYNBXELCO-CABCVRRESA-N 1 2 346.500 4.328 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2nc3ccccc3s2)c1 ZINC000743341149 1058920044 /nfs/dbraw/zinc/92/00/44/1058920044.db2.gz TYNVCHLWWRNLTK-UNOMPAQXSA-N 1 2 326.421 4.062 20 30 EIEDLO CC[C@@](C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1nccs1 ZINC000744404087 1059467073 /nfs/dbraw/zinc/46/70/73/1059467073.db2.gz GMYASNZYXKWWTN-MRXNPFEDSA-N 1 2 335.860 4.114 20 30 EIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC001168859899 1060467649 /nfs/dbraw/zinc/46/76/49/1060467649.db2.gz TZLCKLOXQFSRPT-UHFFFAOYSA-N 1 2 342.389 4.453 20 30 EIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC001168859899 1060467677 /nfs/dbraw/zinc/46/76/77/1060467677.db2.gz TZLCKLOXQFSRPT-UHFFFAOYSA-N 1 2 342.389 4.453 20 30 EIEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)OC ZINC001169382665 1060782809 /nfs/dbraw/zinc/78/28/09/1060782809.db2.gz LKIYZMNCLWLIKI-BMFZPTHFSA-N 1 2 341.373 4.049 20 30 EIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000237608129 1032233836 /nfs/dbraw/zinc/23/38/36/1032233836.db2.gz WEWYAQJASKAOCN-DNVCBOLYSA-N 1 2 349.459 4.313 20 30 EIEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000532745044 1032281561 /nfs/dbraw/zinc/28/15/61/1032281561.db2.gz VCRKNJNRNZOKPS-INIZCTEOSA-N 1 2 347.886 4.135 20 30 EIEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000532745044 1032281573 /nfs/dbraw/zinc/28/15/73/1032281573.db2.gz VCRKNJNRNZOKPS-INIZCTEOSA-N 1 2 347.886 4.135 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Br)cc1F ZINC000529612352 1032478645 /nfs/dbraw/zinc/47/86/45/1032478645.db2.gz VCNUJJVZZNDHNR-NSHDSACASA-N 1 2 348.219 4.048 20 30 EIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529612352 1032478665 /nfs/dbraw/zinc/47/86/65/1032478665.db2.gz VCNUJJVZZNDHNR-NSHDSACASA-N 1 2 348.219 4.048 20 30 EIEDLO Cn1cc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC000783705694 1032504726 /nfs/dbraw/zinc/50/47/26/1032504726.db2.gz BKNOQCZELJNNGU-SREVYHEPSA-N 1 2 333.416 4.322 20 30 EIEDLO O=C1c2ccc(Cl)cc2C/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783710328 1032551721 /nfs/dbraw/zinc/55/17/21/1032551721.db2.gz FQRIGFZOWANVLJ-KPKJPENVSA-N 1 2 326.808 4.410 20 30 EIEDLO CCCCCCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001266263322 1018849342 /nfs/dbraw/zinc/84/93/42/1018849342.db2.gz CFJLQFLVNRXTHW-LJQANCHMSA-N 1 2 348.556 4.253 20 30 EIEDLO C=C(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430203423 1019269070 /nfs/dbraw/zinc/26/90/70/1019269070.db2.gz IJFOCVQXXWCMMA-SFHVURJKSA-N 1 2 348.349 4.289 20 30 EIEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)cc1C(F)(F)F ZINC000067349071 1020050056 /nfs/dbraw/zinc/05/00/56/1020050056.db2.gz LJKYWLRZVYJLDY-UHFFFAOYSA-N 1 2 346.356 4.184 20 30 EIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000394153250 1020269508 /nfs/dbraw/zinc/26/95/08/1020269508.db2.gz XKYNCYCYCFDVGO-UHFFFAOYSA-N 1 2 327.653 4.228 20 30 EIEDLO CC(C)(C)c1csc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176931657 1020934541 /nfs/dbraw/zinc/93/45/41/1020934541.db2.gz RXWLXGNMWGLZND-UHFFFAOYSA-N 1 2 325.481 4.477 20 30 EIEDLO CC(C)(C)c1csc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176931657 1020934546 /nfs/dbraw/zinc/93/45/46/1020934546.db2.gz RXWLXGNMWGLZND-UHFFFAOYSA-N 1 2 325.481 4.477 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001167705406 1022846347 /nfs/dbraw/zinc/84/63/47/1022846347.db2.gz JKPJMODPFAFCOR-NQIIRXRSSA-N 1 2 347.418 4.368 20 30 EIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001167705406 1022846348 /nfs/dbraw/zinc/84/63/48/1022846348.db2.gz JKPJMODPFAFCOR-NQIIRXRSSA-N 1 2 347.418 4.368 20 30 EIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114177 1022923238 /nfs/dbraw/zinc/92/32/38/1022923238.db2.gz GSGAWCNJLACQOW-JTQLQIEISA-N 1 2 335.860 4.057 20 30 EIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114177 1022923235 /nfs/dbraw/zinc/92/32/35/1022923235.db2.gz GSGAWCNJLACQOW-JTQLQIEISA-N 1 2 335.860 4.057 20 30 EIEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 ZINC000276460148 1023566685 /nfs/dbraw/zinc/56/66/85/1023566685.db2.gz QMWKFWOFYCFNMU-UHFFFAOYSA-N 1 2 349.887 4.489 20 30 EIEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 ZINC000276460148 1023566688 /nfs/dbraw/zinc/56/66/88/1023566688.db2.gz QMWKFWOFYCFNMU-UHFFFAOYSA-N 1 2 349.887 4.489 20 30 EIEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187564041 1023879021 /nfs/dbraw/zinc/87/90/21/1023879021.db2.gz RMXWOAXCFFFKFB-UHFFFAOYSA-N 1 2 338.842 4.123 20 30 EIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000661421337 1024107299 /nfs/dbraw/zinc/10/72/99/1024107299.db2.gz ULFSAKXVVHEPDL-MSOLQXFVSA-N 1 2 346.519 4.002 20 30 EIEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000933773207 1024296733 /nfs/dbraw/zinc/29/67/33/1024296733.db2.gz HDZAOBJXGVBMJX-UHFFFAOYSA-N 1 2 345.777 4.319 20 30 EIEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000933773207 1024296753 /nfs/dbraw/zinc/29/67/53/1024296753.db2.gz HDZAOBJXGVBMJX-UHFFFAOYSA-N 1 2 345.777 4.319 20 30 EIEDLO C[NH+](C)[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000022729186 1024529322 /nfs/dbraw/zinc/52/93/22/1024529322.db2.gz LKIRVADZPRJHNM-NACCWKTGSA-N 1 2 343.279 4.482 20 30 EIEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1F ZINC000092404645 1024801698 /nfs/dbraw/zinc/80/16/98/1024801698.db2.gz PAZGUPMQQSLXJX-UHFFFAOYSA-N 1 2 345.414 4.040 20 30 EIEDLO C=CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1F ZINC000092404645 1024801699 /nfs/dbraw/zinc/80/16/99/1024801699.db2.gz PAZGUPMQQSLXJX-UHFFFAOYSA-N 1 2 345.414 4.040 20 30 EIEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000053837369 1024949764 /nfs/dbraw/zinc/94/97/64/1024949764.db2.gz VTSUDLQZJKYIFS-OAHLLOKOSA-N 1 2 346.471 4.095 20 30 EIEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000053837369 1024949770 /nfs/dbraw/zinc/94/97/70/1024949770.db2.gz VTSUDLQZJKYIFS-OAHLLOKOSA-N 1 2 346.471 4.095 20 30 EIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000278863287 1025051954 /nfs/dbraw/zinc/05/19/54/1025051954.db2.gz WMWWJHFABXZNMZ-GTNSWQLSSA-N 1 2 335.350 4.312 20 30 EIEDLO C=CCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000165975971 1025468988 /nfs/dbraw/zinc/46/89/88/1025468988.db2.gz NAVUGSPDYCTNOP-UHFFFAOYSA-N 1 2 329.469 4.226 20 30 EIEDLO C=CCCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000165975971 1025469002 /nfs/dbraw/zinc/46/90/02/1025469002.db2.gz NAVUGSPDYCTNOP-UHFFFAOYSA-N 1 2 329.469 4.226 20 30 EIEDLO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000543450837 1025853155 /nfs/dbraw/zinc/85/31/55/1025853155.db2.gz APHUESYQVXLWTD-LJQANCHMSA-N 1 2 341.842 4.129 20 30 EIEDLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092012717 1026441396 /nfs/dbraw/zinc/44/13/96/1026441396.db2.gz OWTVFTIHEWSAHJ-MRXNPFEDSA-N 1 2 346.862 4.303 20 30 EIEDLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092012717 1026441417 /nfs/dbraw/zinc/44/14/17/1026441417.db2.gz OWTVFTIHEWSAHJ-MRXNPFEDSA-N 1 2 346.862 4.303 20 30 EIEDLO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000506933237 1026540475 /nfs/dbraw/zinc/54/04/75/1026540475.db2.gz VPNJEQMDNVYSOH-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000506933237 1026540484 /nfs/dbraw/zinc/54/04/84/1026540484.db2.gz VPNJEQMDNVYSOH-CQSZACIVSA-N 1 2 345.899 4.152 20 30 EIEDLO C=CCCn1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)nn1 ZINC000657423321 1026596996 /nfs/dbraw/zinc/59/69/96/1026596996.db2.gz XZRWIBMVSYNSIM-UHFFFAOYSA-N 1 2 346.425 4.082 20 30 EIEDLO C=C(C)COc1cc(CNc2cccc(-n3cc[nH+]c3)c2)ccc1OC ZINC000432625268 1026645357 /nfs/dbraw/zinc/64/53/57/1026645357.db2.gz ZOIRIFZWYZXOSC-UHFFFAOYSA-N 1 2 349.434 4.448 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1OC(F)F ZINC000519871964 1027028397 /nfs/dbraw/zinc/02/83/97/1027028397.db2.gz AHRBKLUHMOGWHY-UHFFFAOYSA-N 1 2 348.349 4.384 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1OC(F)F ZINC000519871964 1027028406 /nfs/dbraw/zinc/02/84/06/1027028406.db2.gz AHRBKLUHMOGWHY-UHFFFAOYSA-N 1 2 348.349 4.384 20 30 EIEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001141897595 1027553498 /nfs/dbraw/zinc/55/34/98/1027553498.db2.gz XLFXCVMDPPLESN-UHFFFAOYSA-N 1 2 337.236 4.035 20 30 EIEDLO O=C(C[C@@H]1CCCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000328755803 1027804389 /nfs/dbraw/zinc/80/43/89/1027804389.db2.gz FLQAWTPJTJAOFD-INIZCTEOSA-N 1 2 339.439 4.434 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OCC(F)F)cc1 ZINC000162253999 1027840511 /nfs/dbraw/zinc/84/05/11/1027840511.db2.gz WSGOISKNYGNHPZ-UHFFFAOYSA-N 1 2 347.365 4.020 20 30 EIEDLO C=CCn1cccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444536126 1027865407 /nfs/dbraw/zinc/86/54/07/1027865407.db2.gz YIUSEZYHHURTPX-UHFFFAOYSA-N 1 2 346.434 4.126 20 30 EIEDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331295579 1027952028 /nfs/dbraw/zinc/95/20/28/1027952028.db2.gz CNUHRCWVGBAPQI-CYBMUJFWSA-N 1 2 343.475 4.354 20 30 EIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000178944580 1028111536 /nfs/dbraw/zinc/11/15/36/1028111536.db2.gz GZKHOSNXPZGKHF-CMDGGOBGSA-N 1 2 325.437 4.293 20 30 EIEDLO O=C(NC1CCC2(CCCCC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329823855 1028130318 /nfs/dbraw/zinc/13/03/18/1028130318.db2.gz BHADZMLSTQLWGN-INIZCTEOSA-N 1 2 344.503 4.396 20 30 EIEDLO Clc1cccc(C#CC[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000157340530 1028206640 /nfs/dbraw/zinc/20/66/40/1028206640.db2.gz FSEXKXZWCYYROJ-OAQYLSRUSA-N 1 2 332.834 4.466 20 30 EIEDLO CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237832 1028234724 /nfs/dbraw/zinc/23/47/24/1028234724.db2.gz HSWXGZFTBYBCQO-OLZOCXBDSA-N 1 2 331.485 4.349 20 30 EIEDLO CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237832 1028234742 /nfs/dbraw/zinc/23/47/42/1028234742.db2.gz HSWXGZFTBYBCQO-OLZOCXBDSA-N 1 2 331.485 4.349 20 30 EIEDLO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330337086 1028545382 /nfs/dbraw/zinc/54/53/82/1028545382.db2.gz SYAPUYCIWOYUGK-NUJGCVRESA-N 1 2 333.476 4.203 20 30 EIEDLO COc1cc(C[N@H+](C)Cc2cccc(F)c2C#N)ccc1SC ZINC000428405741 1028555720 /nfs/dbraw/zinc/55/57/20/1028555720.db2.gz SZSNDOACMZCVFH-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO COc1cc(C[N@@H+](C)Cc2cccc(F)c2C#N)ccc1SC ZINC000428405741 1028555762 /nfs/dbraw/zinc/55/57/62/1028555762.db2.gz SZSNDOACMZCVFH-UHFFFAOYSA-N 1 2 330.428 4.060 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000161711675 1028747399 /nfs/dbraw/zinc/74/73/99/1028747399.db2.gz XTOIUQWEKDAJMV-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000161711675 1028747412 /nfs/dbraw/zinc/74/74/12/1028747412.db2.gz XTOIUQWEKDAJMV-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CC[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000445800493 1028896448 /nfs/dbraw/zinc/89/64/48/1028896448.db2.gz ZGCGKFAPNKKZSM-UHFFFAOYSA-N 1 2 347.462 4.128 20 30 EIEDLO C=CC[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000445800493 1028896454 /nfs/dbraw/zinc/89/64/54/1028896454.db2.gz ZGCGKFAPNKKZSM-UHFFFAOYSA-N 1 2 347.462 4.128 20 30 EIEDLO C[C@@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000522833842 1028983972 /nfs/dbraw/zinc/98/39/72/1028983972.db2.gz ODEUYRWQOUQDHW-LIRRHRJNSA-N 1 2 326.440 4.376 20 30 EIEDLO C[C@@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000522833842 1028983988 /nfs/dbraw/zinc/98/39/88/1028983988.db2.gz ODEUYRWQOUQDHW-LIRRHRJNSA-N 1 2 326.440 4.376 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000121278865 1029622763 /nfs/dbraw/zinc/62/27/63/1029622763.db2.gz FWIOBHOQBYRPAX-ZDUSSCGKSA-N 1 2 337.448 4.370 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000121278865 1029622766 /nfs/dbraw/zinc/62/27/66/1029622766.db2.gz FWIOBHOQBYRPAX-ZDUSSCGKSA-N 1 2 337.448 4.370 20 30 EIEDLO C=CCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000451282648 1030366749 /nfs/dbraw/zinc/36/67/49/1030366749.db2.gz CWELTQLFKFLWFD-UHFFFAOYSA-N 1 2 341.499 4.062 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000448283217 1030704899 /nfs/dbraw/zinc/70/48/99/1030704899.db2.gz KVOONFDBMONMBA-MYGLTJDJSA-N 1 2 338.495 4.424 20 30 EIEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000448283217 1030704917 /nfs/dbraw/zinc/70/49/17/1030704917.db2.gz KVOONFDBMONMBA-MYGLTJDJSA-N 1 2 338.495 4.424 20 30 EIEDLO Cc1cccn2cc(CCNc3ccc(C#N)cc3C(F)(F)F)[nH+]c12 ZINC000610468855 1030815973 /nfs/dbraw/zinc/81/59/73/1030815973.db2.gz MKEBLVVRBPATCQ-UHFFFAOYSA-N 1 2 344.340 4.188 20 30 EIEDLO C=CCC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000448630436 1030886508 /nfs/dbraw/zinc/88/65/08/1030886508.db2.gz OEDITAOLEHCFSZ-UHFFFAOYSA-N 1 2 337.467 4.074 20 30 EIEDLO CC(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000459352069 1031884385 /nfs/dbraw/zinc/88/43/85/1031884385.db2.gz RSYVAIVFSVAWJA-GOSISDBHSA-N 1 2 327.359 4.092 20 30 EIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000132294042 1031913065 /nfs/dbraw/zinc/91/30/65/1031913065.db2.gz LFJARZUXVNWDQN-VIFPVBQESA-N 1 2 335.167 4.202 20 30 EIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000132294042 1031913076 /nfs/dbraw/zinc/91/30/76/1031913076.db2.gz LFJARZUXVNWDQN-VIFPVBQESA-N 1 2 335.167 4.202 20 30 EIEDLO C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611126 1033493795 /nfs/dbraw/zinc/49/37/95/1033493795.db2.gz HZPNTGKKPIJCDJ-LPHOPBHVSA-N 1 2 337.442 4.013 20 30 EIEDLO C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611126 1033493805 /nfs/dbraw/zinc/49/38/05/1033493805.db2.gz HZPNTGKKPIJCDJ-LPHOPBHVSA-N 1 2 337.442 4.013 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000509811203 1034041889 /nfs/dbraw/zinc/04/18/89/1034041889.db2.gz YKZWZWWDIBXNRB-INIZCTEOSA-N 1 2 348.425 4.270 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000509811203 1034041905 /nfs/dbraw/zinc/04/19/05/1034041905.db2.gz YKZWZWWDIBXNRB-INIZCTEOSA-N 1 2 348.425 4.270 20 30 EIEDLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894181893 1034637854 /nfs/dbraw/zinc/63/78/54/1034637854.db2.gz UVXCBJGITZHMLQ-NWDGAFQWSA-N 1 2 332.835 4.369 20 30 EIEDLO C=C1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430003277 1034848277 /nfs/dbraw/zinc/84/82/77/1034848277.db2.gz HBZWHFUNYNNYOQ-IBGZPJMESA-N 1 2 331.419 4.478 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000595623678 1035737423 /nfs/dbraw/zinc/73/74/23/1035737423.db2.gz WXBGLQMOQAVFLY-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000595623678 1035737454 /nfs/dbraw/zinc/73/74/54/1035737454.db2.gz WXBGLQMOQAVFLY-LLVKDONJSA-N 1 2 327.653 4.228 20 30 EIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619443 1035737522 /nfs/dbraw/zinc/73/75/22/1035737522.db2.gz BEKTVWRWGAXSQV-STQMWFEESA-N 1 2 330.432 4.031 20 30 EIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619443 1035737533 /nfs/dbraw/zinc/73/75/33/1035737533.db2.gz BEKTVWRWGAXSQV-STQMWFEESA-N 1 2 330.432 4.031 20 30 EIEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000485286826 1035812577 /nfs/dbraw/zinc/81/25/77/1035812577.db2.gz DCOMNFXDGPGAQB-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000485286826 1035812582 /nfs/dbraw/zinc/81/25/82/1035812582.db2.gz DCOMNFXDGPGAQB-UHFFFAOYSA-N 1 2 333.435 4.274 20 30 EIEDLO N#CC1(c2ccc(C[N@H+](Cc3cc[nH]n3)Cc3ccccc3)cc2)CC1 ZINC000596997067 1036071254 /nfs/dbraw/zinc/07/12/54/1036071254.db2.gz XESZVGIKCGJSGM-UHFFFAOYSA-N 1 2 342.446 4.167 20 30 EIEDLO N#CC1(c2ccc(C[N@@H+](Cc3cc[nH]n3)Cc3ccccc3)cc2)CC1 ZINC000596997067 1036071270 /nfs/dbraw/zinc/07/12/70/1036071270.db2.gz XESZVGIKCGJSGM-UHFFFAOYSA-N 1 2 342.446 4.167 20 30 EIEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458521 1036455858 /nfs/dbraw/zinc/45/58/58/1036455858.db2.gz NCEVEZWOWCWODC-WBMJQRKESA-N 1 2 327.255 4.307 20 30 EIEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000602458521 1036455873 /nfs/dbraw/zinc/45/58/73/1036455873.db2.gz NCEVEZWOWCWODC-WBMJQRKESA-N 1 2 327.255 4.307 20 30 EIEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000602596689 1036507515 /nfs/dbraw/zinc/50/75/15/1036507515.db2.gz MVGXKVJVNOJWKI-BBRMVZONSA-N 1 2 326.362 4.019 20 30 EIEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000602596689 1036507531 /nfs/dbraw/zinc/50/75/31/1036507531.db2.gz MVGXKVJVNOJWKI-BBRMVZONSA-N 1 2 326.362 4.019 20 30 EIEDLO C=CC[N@@H+](CC(=O)N[C@H](CCC)c1ccccc1)Cc1cccs1 ZINC000060942829 1036686744 /nfs/dbraw/zinc/68/67/44/1036686744.db2.gz ROJQUMRHTBSTQI-LJQANCHMSA-N 1 2 342.508 4.394 20 30 EIEDLO C=CC[N@H+](CC(=O)N[C@H](CCC)c1ccccc1)Cc1cccs1 ZINC000060942829 1036686758 /nfs/dbraw/zinc/68/67/58/1036686758.db2.gz ROJQUMRHTBSTQI-LJQANCHMSA-N 1 2 342.508 4.394 20 30 EIEDLO CSc1cc(Br)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272509119 1037206280 /nfs/dbraw/zinc/20/62/80/1037206280.db2.gz IPXYEPYNDXQRIX-UHFFFAOYSA-N 1 2 339.302 4.297 20 30 EIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)cc1 ZINC000488280531 1037471839 /nfs/dbraw/zinc/47/18/39/1037471839.db2.gz QONKUUPJSGOBPC-OAHLLOKOSA-N 1 2 346.434 4.330 20 30 EIEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000488953295 1037816815 /nfs/dbraw/zinc/81/68/15/1037816815.db2.gz MFOMTDBXCFUXSZ-QGZVFWFLSA-N 1 2 348.450 4.174 20 30 EIEDLO COc1ccc(CNc2cc(C)c[nH+]c2C)cc1OCCCC#N ZINC000593221081 1038030039 /nfs/dbraw/zinc/03/00/39/1038030039.db2.gz DNDXMKKAPGYDMM-UHFFFAOYSA-N 1 2 325.412 4.002 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000489565585 1038137985 /nfs/dbraw/zinc/13/79/85/1038137985.db2.gz IWQQQMITULFJDH-FQEVSTJZSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000489565585 1038137993 /nfs/dbraw/zinc/13/79/93/1038137993.db2.gz IWQQQMITULFJDH-FQEVSTJZSA-N 1 2 342.389 4.018 20 30 EIEDLO C=CCn1cccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000490066796 1038331649 /nfs/dbraw/zinc/33/16/49/1038331649.db2.gz WACSOWZQBJNWMR-UHFFFAOYSA-N 1 2 346.434 4.126 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000173529463 1038390809 /nfs/dbraw/zinc/39/08/09/1038390809.db2.gz GSIKEHYIGMXTTI-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000173529463 1038390825 /nfs/dbraw/zinc/39/08/25/1038390825.db2.gz GSIKEHYIGMXTTI-HNNXBMFYSA-N 1 2 328.485 4.017 20 30 EIEDLO CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1O ZINC000924969094 1038771099 /nfs/dbraw/zinc/77/10/99/1038771099.db2.gz HIAOSSRYTDTUBJ-CQSZACIVSA-N 1 2 329.469 4.259 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000055058651 1038785241 /nfs/dbraw/zinc/78/52/41/1038785241.db2.gz HKUCMTPYSUCKGQ-UHFFFAOYSA-N 1 2 332.469 4.129 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000055058651 1038785277 /nfs/dbraw/zinc/78/52/77/1038785277.db2.gz HKUCMTPYSUCKGQ-UHFFFAOYSA-N 1 2 332.469 4.129 20 30 EIEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000480896891 1038865466 /nfs/dbraw/zinc/86/54/66/1038865466.db2.gz JNBGDWLVUMBPIF-UHFFFAOYSA-N 1 2 338.838 4.015 20 30 EIEDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000480896891 1038865470 /nfs/dbraw/zinc/86/54/70/1038865470.db2.gz JNBGDWLVUMBPIF-UHFFFAOYSA-N 1 2 338.838 4.015 20 30 EIEDLO C=CCCc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000505044612 1038895928 /nfs/dbraw/zinc/89/59/28/1038895928.db2.gz CEGMHUSKFMTTJN-LPHOPBHVSA-N 1 2 338.455 4.117 20 30 EIEDLO N#Cc1ccc(Oc2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2)cc1 ZINC000608885422 1038953420 /nfs/dbraw/zinc/95/34/20/1038953420.db2.gz REEAJCIZAHBQJU-UHFFFAOYSA-N 1 2 327.347 4.365 20 30 EIEDLO N#Cc1cccc(COc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)c1 ZINC000608886023 1038957765 /nfs/dbraw/zinc/95/77/65/1038957765.db2.gz LSLBYGUSHORPDE-UHFFFAOYSA-N 1 2 341.374 4.152 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537622461 1038987928 /nfs/dbraw/zinc/98/79/28/1038987928.db2.gz XUNKCVVWUJZHAW-XDAAGJMFSA-N 1 2 347.418 4.380 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537622461 1038987946 /nfs/dbraw/zinc/98/79/46/1038987946.db2.gz XUNKCVVWUJZHAW-XDAAGJMFSA-N 1 2 347.418 4.380 20 30 EIEDLO N#CC1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000057880509 1039014685 /nfs/dbraw/zinc/01/46/85/1039014685.db2.gz ILOKFOHXXQTRBQ-NRFANRHFSA-N 1 2 343.430 4.327 20 30 EIEDLO N#CC1CC[NH+](CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000057906972 1039021609 /nfs/dbraw/zinc/02/16/09/1039021609.db2.gz MZCNBICIZLKSQN-UHFFFAOYSA-N 1 2 343.430 4.253 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2csc(C(F)(F)F)c2)s1 ZINC000899392421 1039094466 /nfs/dbraw/zinc/09/44/66/1039094466.db2.gz SPBGEEBWTVWXTQ-ARJAWSKDSA-N 1 2 346.399 4.181 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076452 1039123655 /nfs/dbraw/zinc/12/36/55/1039123655.db2.gz OGWRDBIEYUESMB-UNMCSNQZSA-N 1 2 342.446 4.348 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000552076452 1039123668 /nfs/dbraw/zinc/12/36/68/1039123668.db2.gz OGWRDBIEYUESMB-UNMCSNQZSA-N 1 2 342.446 4.348 20 30 EIEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Br)cc1Br ZINC000481702326 1039765934 /nfs/dbraw/zinc/76/59/34/1039765934.db2.gz GXBFOEDYXQYNAD-UHFFFAOYSA-N 1 2 348.082 4.005 20 30 EIEDLO C=C(C)C[N@H+](CC)Cc1ncc(Br)cc1Br ZINC000481702326 1039765960 /nfs/dbraw/zinc/76/59/60/1039765960.db2.gz GXBFOEDYXQYNAD-UHFFFAOYSA-N 1 2 348.082 4.005 20 30 EIEDLO N#CC1(C[N@@H+](Cc2csc(Br)c2)C2CC2)CCC1 ZINC000450613059 1040196480 /nfs/dbraw/zinc/19/64/80/1040196480.db2.gz SKHOMDYNPQIZMH-UHFFFAOYSA-N 1 2 325.275 4.169 20 30 EIEDLO N#CC1(C[N@H+](Cc2csc(Br)c2)C2CC2)CCC1 ZINC000450613059 1040196497 /nfs/dbraw/zinc/19/64/97/1040196497.db2.gz SKHOMDYNPQIZMH-UHFFFAOYSA-N 1 2 325.275 4.169 20 30 EIEDLO C=CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479541195 1040446170 /nfs/dbraw/zinc/44/61/70/1040446170.db2.gz MCMKOAPYCJIWOW-INIZCTEOSA-N 1 2 338.854 4.089 20 30 EIEDLO CC#CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000462322629 1040471321 /nfs/dbraw/zinc/47/13/21/1040471321.db2.gz AOSSMIKFOHMYIQ-MRXNPFEDSA-N 1 2 339.266 4.200 20 30 EIEDLO CC#CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000462322629 1040471328 /nfs/dbraw/zinc/47/13/28/1040471328.db2.gz AOSSMIKFOHMYIQ-MRXNPFEDSA-N 1 2 339.266 4.200 20 30 EIEDLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC001233174279 1040634254 /nfs/dbraw/zinc/63/42/54/1040634254.db2.gz HFMAQGASVAKHGY-SNVBAGLBSA-N 1 2 335.288 4.491 20 30 EIEDLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC001233174279 1040634267 /nfs/dbraw/zinc/63/42/67/1040634267.db2.gz HFMAQGASVAKHGY-SNVBAGLBSA-N 1 2 335.288 4.491 20 30 EIEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c(Cl)c1 ZINC000515350646 1040670230 /nfs/dbraw/zinc/67/02/30/1040670230.db2.gz UMPQZJYWYCGFIA-OAHLLOKOSA-N 1 2 347.890 4.300 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H](C)CO2)c1 ZINC000483948896 1041078037 /nfs/dbraw/zinc/07/80/37/1041078037.db2.gz BSTBWTKNBDXQKV-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H](C)CO2)c1 ZINC000483948896 1041078055 /nfs/dbraw/zinc/07/80/55/1041078055.db2.gz BSTBWTKNBDXQKV-KKSFZXQISA-N 1 2 338.426 4.276 20 30 EIEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000505852813 1041369061 /nfs/dbraw/zinc/36/90/61/1041369061.db2.gz ATDBIKIHBNWUDI-UHFFFAOYSA-N 1 2 332.245 4.013 20 30 EIEDLO C=CC[NH+](CC=C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000505891834 1041519702 /nfs/dbraw/zinc/51/97/02/1041519702.db2.gz QOGRWKRZHQOSMV-UHFFFAOYSA-N 1 2 332.245 4.013 20 30 EIEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000538954767 1041589068 /nfs/dbraw/zinc/58/90/68/1041589068.db2.gz CRIJJCXVNRCDFK-UHFFFAOYSA-N 1 2 333.229 4.255 20 30 EIEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000538954767 1041589075 /nfs/dbraw/zinc/58/90/75/1041589075.db2.gz CRIJJCXVNRCDFK-UHFFFAOYSA-N 1 2 333.229 4.255 20 30 EIEDLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)c(F)c1 ZINC000540708284 1041607941 /nfs/dbraw/zinc/60/79/41/1041607941.db2.gz QICVYCNRGCXDCO-NSHDSACASA-N 1 2 327.384 4.265 20 30 EIEDLO N#Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1Cl ZINC000516601846 1041662942 /nfs/dbraw/zinc/66/29/42/1041662942.db2.gz OUASKCKZWSPIDU-UHFFFAOYSA-N 1 2 347.765 4.114 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542279361 1042367734 /nfs/dbraw/zinc/36/77/34/1042367734.db2.gz FXURNNQBBYSUFD-FOIQADDNSA-N 1 2 340.854 4.368 20 30 EIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542279361 1042367740 /nfs/dbraw/zinc/36/77/40/1042367740.db2.gz FXURNNQBBYSUFD-FOIQADDNSA-N 1 2 340.854 4.368 20 30 EIEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1Br ZINC000492371759 1042632738 /nfs/dbraw/zinc/63/27/38/1042632738.db2.gz AFKXYGSJWORRTK-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1Br ZINC000492371759 1042632752 /nfs/dbraw/zinc/63/27/52/1042632752.db2.gz AFKXYGSJWORRTK-UHFFFAOYSA-N 1 2 333.204 4.092 20 30 EIEDLO C=CCC(CC=C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441497733 1042854490 /nfs/dbraw/zinc/85/44/90/1042854490.db2.gz IPOUNRNQLIPAMH-HXUWFJFHSA-N 1 2 337.467 4.126 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000520492511 1042857655 /nfs/dbraw/zinc/85/76/55/1042857655.db2.gz RNDUVEUYQBPAOW-IBGZPJMESA-N 1 2 344.418 4.335 20 30 EIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000520492511 1042857656 /nfs/dbraw/zinc/85/76/56/1042857656.db2.gz RNDUVEUYQBPAOW-IBGZPJMESA-N 1 2 344.418 4.335 20 30 EIEDLO C=CC[N@H+](Cc1conc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000507785092 1042934696 /nfs/dbraw/zinc/93/46/96/1042934696.db2.gz QSPLQXQVDHRABY-UHFFFAOYSA-N 1 2 343.430 4.325 20 30 EIEDLO C=CC[N@@H+](Cc1conc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000507785092 1042934702 /nfs/dbraw/zinc/93/47/02/1042934702.db2.gz QSPLQXQVDHRABY-UHFFFAOYSA-N 1 2 343.430 4.325 20 30 EIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007497330 1042939970 /nfs/dbraw/zinc/93/99/70/1042939970.db2.gz UJQVLKXXMXUXPA-LBPRGKRZSA-N 1 2 333.229 4.301 20 30 EIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007497330 1042939975 /nfs/dbraw/zinc/93/99/75/1042939975.db2.gz UJQVLKXXMXUXPA-LBPRGKRZSA-N 1 2 333.229 4.301 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c(F)c1 ZINC000507909418 1043193417 /nfs/dbraw/zinc/19/34/17/1043193417.db2.gz RKWDHPYRPQHPKP-LJQANCHMSA-N 1 2 338.430 4.176 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nc(-c2ccccc2)[nH]c1C ZINC000730148086 1043455878 /nfs/dbraw/zinc/45/58/78/1043455878.db2.gz NUGDJNCVPHQPGX-UHFFFAOYSA-N 1 2 341.418 4.191 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000521440502 1043759576 /nfs/dbraw/zinc/75/95/76/1043759576.db2.gz JLOKQGFIOVEBBM-IBGZPJMESA-N 1 2 344.418 4.335 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000521440502 1043759597 /nfs/dbraw/zinc/75/95/97/1043759597.db2.gz JLOKQGFIOVEBBM-IBGZPJMESA-N 1 2 344.418 4.335 20 30 EIEDLO COc1cc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)ccc1C#N ZINC000442851525 1043875248 /nfs/dbraw/zinc/87/52/48/1043875248.db2.gz WQHZFUDCBKGPEQ-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO COc1cc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)ccc1C#N ZINC000442851525 1043875250 /nfs/dbraw/zinc/87/52/50/1043875250.db2.gz WQHZFUDCBKGPEQ-UHFFFAOYSA-N 1 2 340.373 4.134 20 30 EIEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001204768106 1044386956 /nfs/dbraw/zinc/38/69/56/1044386956.db2.gz HEKHMSPAUYPNTK-UHFFFAOYSA-N 1 2 331.337 4.424 20 30 EIEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001204768106 1044386970 /nfs/dbraw/zinc/38/69/70/1044386970.db2.gz HEKHMSPAUYPNTK-UHFFFAOYSA-N 1 2 331.337 4.424 20 30 EIEDLO CC(C)COC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000543486674 1044705492 /nfs/dbraw/zinc/70/54/92/1044705492.db2.gz WGLVJKCQOXBUGS-GOSISDBHSA-N 1 2 331.843 4.288 20 30 EIEDLO CCCCCCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000735012127 1044728186 /nfs/dbraw/zinc/72/81/86/1044728186.db2.gz JDGGIJBGOHGVLH-UHFFFAOYSA-N 1 2 332.488 4.208 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2cncs2)Cc2cccc(F)c2)cc1 ZINC000092128731 1044729343 /nfs/dbraw/zinc/72/93/43/1044729343.db2.gz FLYVJPIVGKPGHM-UHFFFAOYSA-N 1 2 337.423 4.356 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2cncs2)Cc2cccc(F)c2)cc1 ZINC000092128731 1044729355 /nfs/dbraw/zinc/72/93/55/1044729355.db2.gz FLYVJPIVGKPGHM-UHFFFAOYSA-N 1 2 337.423 4.356 20 30 EIEDLO Cc1ccc(C)c(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000735972419 1044883406 /nfs/dbraw/zinc/88/34/06/1044883406.db2.gz CCHWPSGPWPUFHG-UHFFFAOYSA-N 1 2 334.876 4.460 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738054341 1045035935 /nfs/dbraw/zinc/03/59/35/1045035935.db2.gz JDRFAZKUNBMDIZ-UHFFFAOYSA-N 1 2 342.512 4.023 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738054341 1045035950 /nfs/dbraw/zinc/03/59/50/1045035950.db2.gz JDRFAZKUNBMDIZ-UHFFFAOYSA-N 1 2 342.512 4.023 20 30 EIEDLO CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000739421307 1045143085 /nfs/dbraw/zinc/14/30/85/1045143085.db2.gz HPERWCGCBCSAHZ-UHFFFAOYSA-N 1 2 345.328 4.122 20 30 EIEDLO C=CCn1c(Cc2ccccc2)nn(C[NH+](CCC)CCC)c1=S ZINC000915202650 1045179028 /nfs/dbraw/zinc/17/90/28/1045179028.db2.gz FMXOPCGRERASGK-UHFFFAOYSA-N 1 2 344.528 4.270 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861645 1045233163 /nfs/dbraw/zinc/23/31/63/1045233163.db2.gz QNUYGQXDUJTJMP-UONOGXRCSA-N 1 2 346.475 4.094 20 30 EIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861645 1045233176 /nfs/dbraw/zinc/23/31/76/1045233176.db2.gz QNUYGQXDUJTJMP-UONOGXRCSA-N 1 2 346.475 4.094 20 30 EIEDLO C[C@@H]([NH2+]Cc1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 ZINC000611387775 1045294083 /nfs/dbraw/zinc/29/40/83/1045294083.db2.gz GMXGVAKGVRWAPG-GFCCVEGCSA-N 1 2 338.798 4.112 20 30 EIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(C#N)c1 ZINC000611389170 1045296014 /nfs/dbraw/zinc/29/60/14/1045296014.db2.gz XZMOGHCQWGTQRN-LBPRGKRZSA-N 1 2 338.798 4.112 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1C#N ZINC000611522427 1045321060 /nfs/dbraw/zinc/32/10/60/1045321060.db2.gz JNDZEGMGFBZTGG-GOSISDBHSA-N 1 2 348.475 4.451 20 30 EIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1C#N ZINC000611522427 1045321066 /nfs/dbraw/zinc/32/10/66/1045321066.db2.gz JNDZEGMGFBZTGG-GOSISDBHSA-N 1 2 348.475 4.451 20 30 EIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c1 ZINC000790549037 1045527348 /nfs/dbraw/zinc/52/73/48/1045527348.db2.gz TVQLYZHUZKVVNJ-UHFFFAOYSA-N 1 2 342.267 4.025 20 30 EIEDLO C[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)[NH+]1CCCCCC1 ZINC000915979167 1045850867 /nfs/dbraw/zinc/85/08/67/1045850867.db2.gz DHAYLDZJFDTRKM-ZDFPAGSVSA-N 1 2 329.271 4.382 20 30 EIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769333923 1045927609 /nfs/dbraw/zinc/92/76/09/1045927609.db2.gz AIXZPTWFQQKXHI-UHFFFAOYSA-N 1 2 346.475 4.190 20 30 EIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769333923 1045927625 /nfs/dbraw/zinc/92/76/25/1045927625.db2.gz AIXZPTWFQQKXHI-UHFFFAOYSA-N 1 2 346.475 4.190 20 30 EIEDLO COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c2ccccc12 ZINC000769606237 1046030617 /nfs/dbraw/zinc/03/06/17/1046030617.db2.gz COUVYFJXTRMCCC-PKNBQFBNSA-N 1 2 328.371 4.392 20 30 EIEDLO Cc1cc(Cl)c2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)CCO2 ZINC000769613638 1046032518 /nfs/dbraw/zinc/03/25/18/1046032518.db2.gz ANGNZGALKIIPKX-ACCUITESSA-N 1 2 338.794 4.345 20 30 EIEDLO O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cccc2[nH+]ccn21 ZINC000769608155 1046033074 /nfs/dbraw/zinc/03/30/74/1046033074.db2.gz QHOJRJDOZAHYTF-NWFDBUFXSA-N 1 2 345.358 4.072 20 30 EIEDLO COc1ccc2oc(C(=O)/C=C\c3cccc4[nH+]ccn43)c(C)c2c1 ZINC000769610063 1046033585 /nfs/dbraw/zinc/03/35/85/1046033585.db2.gz NNQPLNDFAGSQRY-VURMDHGXSA-N 1 2 332.359 4.294 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(-c2ccncc2)cc1 ZINC000769608546 1046033727 /nfs/dbraw/zinc/03/37/27/1046033727.db2.gz CVXJQSYTIZKDRJ-CMDGGOBGSA-N 1 2 325.371 4.292 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(C(F)(F)F)c1 ZINC000162247595 1046159566 /nfs/dbraw/zinc/15/95/66/1046159566.db2.gz SDMOWAOFMWPOHB-UHFFFAOYSA-N 1 2 335.329 4.395 20 30 EIEDLO O=C1c2cc(Cl)ccc2SC/C1=C\c1cccc2[nH+]ccn21 ZINC000771287207 1046359473 /nfs/dbraw/zinc/35/94/73/1046359473.db2.gz QYXIDSWJVKKSIA-DHZHZOJOSA-N 1 2 326.808 4.360 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc4cc(O)ccc4c3)n2c1 ZINC000771858128 1046513028 /nfs/dbraw/zinc/51/30/28/1046513028.db2.gz GJXDULXWBFLMMY-SOFGYWHQSA-N 1 2 328.371 4.398 20 30 EIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3sccc3Br)n2c1 ZINC000771860408 1046515226 /nfs/dbraw/zinc/51/52/26/1046515226.db2.gz QRQFGADIYAPIGN-ONEGZZNKSA-N 1 2 347.237 4.363 20 30 EIEDLO Clc1cnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000917028378 1046568100 /nfs/dbraw/zinc/56/81/00/1046568100.db2.gz QPCSUCPOHSQIEO-UHFFFAOYSA-N 1 2 332.194 4.020 20 30 EIEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665063 1046638864 /nfs/dbraw/zinc/63/88/64/1046638864.db2.gz OWGRDKXQFYEVGL-QGZVFWFLSA-N 1 2 345.446 4.261 20 30 EIEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665063 1046638872 /nfs/dbraw/zinc/63/88/72/1046638872.db2.gz OWGRDKXQFYEVGL-QGZVFWFLSA-N 1 2 345.446 4.261 20 30 EIEDLO CC[C@@H]1C[C@@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440863 1046667731 /nfs/dbraw/zinc/66/77/31/1046667731.db2.gz ANMZGVGBEZFMLN-UZLBHIALSA-N 1 2 335.407 4.190 20 30 EIEDLO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000459466678 1046703398 /nfs/dbraw/zinc/70/33/98/1046703398.db2.gz OXPSPFAGVICXFP-FUHWJXTLSA-N 1 2 349.434 4.008 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)cc1 ZINC000746669523 1046982952 /nfs/dbraw/zinc/98/29/52/1046982952.db2.gz DDPWVNLZUFMORE-MSOLQXFVSA-N 1 2 347.462 4.207 20 30 EIEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H]2C)cc1 ZINC000746669523 1046982976 /nfs/dbraw/zinc/98/29/76/1046982976.db2.gz DDPWVNLZUFMORE-MSOLQXFVSA-N 1 2 347.462 4.207 20 30 EIEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)ccc1OC ZINC000897944602 1047514984 /nfs/dbraw/zinc/51/49/84/1047514984.db2.gz IQTQRLRPFRTJKU-UHFFFAOYSA-N 1 2 344.455 4.225 20 30 EIEDLO C=CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1Cl ZINC000897944239 1047515984 /nfs/dbraw/zinc/51/59/84/1047515984.db2.gz BXOAUOSMVJDCOE-UHFFFAOYSA-N 1 2 334.847 4.480 20 30 EIEDLO Clc1cccc(CN[NH+]=Cc2ccc(N3CCCC3)nc2)c1Cl ZINC000790184687 1047530719 /nfs/dbraw/zinc/53/07/19/1047530719.db2.gz ZRFMFBKSIOCTTL-UHFFFAOYSA-N 1 2 349.265 4.112 20 30 EIEDLO CC[C@H](C)N[NH+]=Cc1sc(Nc2ccccc2OC)nc1Cl ZINC000790183076 1047537837 /nfs/dbraw/zinc/53/78/37/1047537837.db2.gz NUPBQNUJZRYPIU-JTQLQIEISA-N 1 2 338.864 4.271 20 30 EIEDLO C=C(C)COc1cccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001547451656 1047890287 /nfs/dbraw/zinc/89/02/87/1047890287.db2.gz PRXUDIQOOKSDFU-SFHVURJKSA-N 1 2 327.428 4.064 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000194966412 1047893689 /nfs/dbraw/zinc/89/36/89/1047893689.db2.gz NFVACRXPIUEYBE-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000194966412 1047893696 /nfs/dbraw/zinc/89/36/96/1047893696.db2.gz NFVACRXPIUEYBE-UHFFFAOYSA-N 1 2 335.432 4.439 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052153 1048124915 /nfs/dbraw/zinc/12/49/15/1048124915.db2.gz AFSRRANDABQTSC-JKSUJKDBSA-N 1 2 340.492 4.102 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052153 1048124922 /nfs/dbraw/zinc/12/49/22/1048124922.db2.gz AFSRRANDABQTSC-JKSUJKDBSA-N 1 2 340.492 4.102 20 30 EIEDLO CCC(=[NH+]Nc1nc2ccc(OC)cc2cc1C)c1cccc(N)c1 ZINC000814899053 1048223469 /nfs/dbraw/zinc/22/34/69/1048223469.db2.gz GOGAXQOJKZGTHN-UHFFFAOYSA-N 1 2 334.423 4.360 20 30 EIEDLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2Cc1ccc(C#N)cn1 ZINC001144166482 1048480506 /nfs/dbraw/zinc/48/05/06/1048480506.db2.gz HVIRVWCMGCARAH-PKTZIBPZSA-N 1 2 337.426 4.330 20 30 EIEDLO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2Cc1ccc(C#N)cn1 ZINC001144166482 1048480526 /nfs/dbraw/zinc/48/05/26/1048480526.db2.gz HVIRVWCMGCARAH-PKTZIBPZSA-N 1 2 337.426 4.330 20 30 EIEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H](C)COCc2ccccc2)c1 ZINC000920173273 1048572775 /nfs/dbraw/zinc/57/27/75/1048572775.db2.gz BLFNZGIFSAAANW-REIAIGDLSA-N 1 2 327.424 4.063 20 30 EIEDLO [NH2+]=C(Nc1cnc(-c2ccccc2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171184480 1048675715 /nfs/dbraw/zinc/67/57/15/1048675715.db2.gz LNBMHNXMCHBUHI-UHFFFAOYSA-N 1 2 340.386 4.039 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519269 1048824769 /nfs/dbraw/zinc/82/47/69/1048824769.db2.gz DSKHPDRSHHEXKM-CRAIPNDOSA-N 1 2 344.817 4.456 20 30 EIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816519269 1048824771 /nfs/dbraw/zinc/82/47/71/1048824771.db2.gz DSKHPDRSHHEXKM-CRAIPNDOSA-N 1 2 344.817 4.456 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000921046733 1048844793 /nfs/dbraw/zinc/84/47/93/1048844793.db2.gz PNBGGJBYUXZSFM-UHFFFAOYSA-N 1 2 336.549 4.403 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000921046733 1048844799 /nfs/dbraw/zinc/84/47/99/1048844799.db2.gz PNBGGJBYUXZSFM-UHFFFAOYSA-N 1 2 336.549 4.403 20 30 EIEDLO CC(=[NH+]Nc1cccc(Cl)c1F)c1cccc(N2CCOCC2)c1 ZINC000921137777 1048857217 /nfs/dbraw/zinc/85/72/17/1048857217.db2.gz LCQHXLBGTVLOQR-UHFFFAOYSA-N 1 2 347.821 4.152 20 30 EIEDLO C=CCCCCCCCCC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001144798155 1048859612 /nfs/dbraw/zinc/85/96/12/1048859612.db2.gz DBRLRHKWBNCJRS-UHFFFAOYSA-N 1 2 337.533 4.374 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1csc(-c2ccccc2F)n1 ZINC000812244194 1049397092 /nfs/dbraw/zinc/39/70/92/1049397092.db2.gz FVRAXDXJIIGJPV-CMDGGOBGSA-N 1 2 349.390 4.493 20 30 EIEDLO CC(C)c1nc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000812243743 1049398719 /nfs/dbraw/zinc/39/87/19/1049398719.db2.gz TYLJAYCWVCXYLX-ONEGZZNKSA-N 1 2 329.450 4.410 20 30 EIEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000348171088 1049469841 /nfs/dbraw/zinc/46/98/41/1049469841.db2.gz FWIMQADVEIPOEJ-UHFFFAOYSA-N 1 2 342.324 4.375 20 30 EIEDLO CC(=[NH+]Nc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC000812461873 1049484412 /nfs/dbraw/zinc/48/44/12/1049484412.db2.gz BIZSUEWLRKFQRA-UHFFFAOYSA-N 1 2 332.245 4.351 20 30 EIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001171809833 1049808276 /nfs/dbraw/zinc/80/82/76/1049808276.db2.gz KJIOMDWRMONTSB-MRXNPFEDSA-N 1 2 335.234 4.030 20 30 EIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001171809833 1049808279 /nfs/dbraw/zinc/80/82/79/1049808279.db2.gz KJIOMDWRMONTSB-MRXNPFEDSA-N 1 2 335.234 4.030 20 30 EIEDLO Cc1cc([NH2+]C2CCC(C)(C#N)CC2)ccc1N1CCSCC1 ZINC000823538923 1049856841 /nfs/dbraw/zinc/85/68/41/1049856841.db2.gz UCZJQOIJDGDQKM-UHFFFAOYSA-N 1 2 329.513 4.433 20 30 EIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(-c2ccncc2)c1 ZINC000180314598 1049880401 /nfs/dbraw/zinc/88/04/01/1049880401.db2.gz QUXXVIONGUKTIL-BQYQJAHWSA-N 1 2 325.371 4.292 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359302 1049895703 /nfs/dbraw/zinc/89/57/03/1049895703.db2.gz VJFUCBOTCPKMFX-CYBMUJFWSA-N 1 2 332.414 4.252 20 30 EIEDLO CCCCCCC[C@@H](CC)[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359302 1049895705 /nfs/dbraw/zinc/89/57/05/1049895705.db2.gz VJFUCBOTCPKMFX-CYBMUJFWSA-N 1 2 332.414 4.252 20 30 EIEDLO O=C1C=C2C[N@H+](C3CCC(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001172822019 1050164102 /nfs/dbraw/zinc/16/41/02/1050164102.db2.gz OZUSCZATINLGNF-KVZIAJEVSA-N 1 2 327.493 4.062 20 30 EIEDLO O=C1C=C2C[N@@H+](C3CCC(Cc4ccccc4)CC3)CC[C@@H]2S1 ZINC001172822019 1050164111 /nfs/dbraw/zinc/16/41/11/1050164111.db2.gz OZUSCZATINLGNF-KVZIAJEVSA-N 1 2 327.493 4.062 20 30 EIEDLO C=CC[C@@](C)([NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173547054 1050479541 /nfs/dbraw/zinc/47/95/41/1050479541.db2.gz NONPBBSFUOYWLL-YVEFUNNKSA-N 1 2 344.282 4.412 20 30 EIEDLO C[C@@H]1CC([NH2+]C2(C#N)CCCCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173675750 1050525705 /nfs/dbraw/zinc/52/57/05/1050525705.db2.gz AKRKHUDBXGJOSP-HZPDHXFCSA-N 1 2 349.519 4.369 20 30 EIEDLO CC(=O)Oc1ccc(C2CCC([NH2+][C@@](C)(C#N)C(C)C)CC2)cc1 ZINC001173783086 1050569865 /nfs/dbraw/zinc/56/98/65/1050569865.db2.gz RYRADNQPYKVJQZ-NLPFYKDJSA-N 1 2 328.456 4.166 20 30 EIEDLO CCC[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(Cl)cc1 ZINC001179898174 1050807680 /nfs/dbraw/zinc/80/76/80/1050807680.db2.gz HTKPVYQPEQXYAS-UHFFFAOYSA-N 1 2 340.854 4.042 20 30 EIEDLO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(Cl)cc1 ZINC001179898174 1050807686 /nfs/dbraw/zinc/80/76/86/1050807686.db2.gz HTKPVYQPEQXYAS-UHFFFAOYSA-N 1 2 340.854 4.042 20 30 EIEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2c[nH+]cn2C(C)C)c1 ZINC001189281672 1050944199 /nfs/dbraw/zinc/94/41/99/1050944199.db2.gz KDBHQMVREJAWPB-UHFFFAOYSA-N 1 2 340.471 4.232 20 30 EIEDLO N#Cc1nc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2s1 ZINC001174524899 1051058040 /nfs/dbraw/zinc/05/80/40/1051058040.db2.gz UUMNZYDXBNCTFG-UHFFFAOYSA-N 1 2 335.436 4.297 20 30 EIEDLO Cc1cc(Br)cc2c1C[N@H+](CC#Cc1ccccc1)CC2 ZINC001180731843 1051074503 /nfs/dbraw/zinc/07/45/03/1051074503.db2.gz FQAFHDAZYBWGDI-UHFFFAOYSA-N 1 2 340.264 4.167 20 30 EIEDLO Cc1cc(Br)cc2c1C[N@@H+](CC#Cc1ccccc1)CC2 ZINC001180731843 1051074515 /nfs/dbraw/zinc/07/45/15/1051074515.db2.gz FQAFHDAZYBWGDI-UHFFFAOYSA-N 1 2 340.264 4.167 20 30 EIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001181121695 1051158531 /nfs/dbraw/zinc/15/85/31/1051158531.db2.gz HCNSHLLNVVOZNG-QGZVFWFLSA-N 1 2 345.531 4.452 20 30 EIEDLO CCCCCCC[C@H](C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001181133447 1051161707 /nfs/dbraw/zinc/16/17/07/1051161707.db2.gz SRPQDHOKHBAWLZ-AWEZNQCLSA-N 1 2 325.522 4.064 20 30 EIEDLO C#CC[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000775398686 1051227979 /nfs/dbraw/zinc/22/79/79/1051227979.db2.gz AFFCFWMGTYOKCT-KRWDZBQOSA-N 1 2 332.216 4.442 20 30 EIEDLO C=CCC1(S(=O)(=O)Nc2ccc(Oc3cc[nH+]c(C)c3)cc2)CC1 ZINC001190814898 1051294714 /nfs/dbraw/zinc/29/47/14/1051294714.db2.gz RWJIGSBIHZRLRL-UHFFFAOYSA-N 1 2 344.436 4.033 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC001175060675 1051312990 /nfs/dbraw/zinc/31/29/90/1051312990.db2.gz CANPVCZBYCUKLQ-UHFFFAOYSA-N 1 2 341.252 4.073 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Br)cc1)C2 ZINC001175060675 1051313006 /nfs/dbraw/zinc/31/30/06/1051313006.db2.gz CANPVCZBYCUKLQ-UHFFFAOYSA-N 1 2 341.252 4.073 20 30 EIEDLO CCCCCCCCNC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001191069717 1051339415 /nfs/dbraw/zinc/33/94/15/1051339415.db2.gz QBYABBGURCGQSL-UHFFFAOYSA-N 1 2 328.460 4.413 20 30 EIEDLO CC[NH+](CC)[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1Cl ZINC001182221223 1051436455 /nfs/dbraw/zinc/43/64/55/1051436455.db2.gz HIBGMENULVHPRR-IEBWSBKVSA-N 1 2 349.906 4.167 20 30 EIEDLO CC[NH+](CC)[C@H](C(=O)Nc1ccsc1C#N)c1ccccc1Cl ZINC001182219661 1051436961 /nfs/dbraw/zinc/43/69/61/1051436961.db2.gz YCEUQRLKEURTAW-INIZCTEOSA-N 1 2 347.871 4.295 20 30 EIEDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(OCC#N)cc1 ZINC000272316550 1051565769 /nfs/dbraw/zinc/56/57/69/1051565769.db2.gz XUVAFRBAASAQSI-MRXNPFEDSA-N 1 2 336.439 4.147 20 30 EIEDLO COc1cc[nH+]cc1Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001176123174 1051922312 /nfs/dbraw/zinc/92/23/12/1051922312.db2.gz LBLOTGHAGTYGII-UHFFFAOYSA-N 1 2 340.198 4.409 20 30 EIEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184965626 1052133945 /nfs/dbraw/zinc/13/39/45/1052133945.db2.gz ZPPOVRNBYAVZFE-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C\c1ncc(C[NH+](C)C)s1 ZINC000794711805 1053346008 /nfs/dbraw/zinc/34/60/08/1053346008.db2.gz FCIVYZOYCTXLFP-VUZIPCMWSA-N 1 2 326.465 4.224 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000764971837 1053396392 /nfs/dbraw/zinc/39/63/92/1053396392.db2.gz LUCNVXOXWZBBNC-KRWDZBQOSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000764971837 1053396409 /nfs/dbraw/zinc/39/64/09/1053396409.db2.gz LUCNVXOXWZBBNC-KRWDZBQOSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000765003225 1053416935 /nfs/dbraw/zinc/41/69/35/1053416935.db2.gz RMWAYEQSJMXPAX-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000765003225 1053416941 /nfs/dbraw/zinc/41/69/41/1053416941.db2.gz RMWAYEQSJMXPAX-UHFFFAOYSA-N 1 2 342.512 4.407 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765047854 1053430401 /nfs/dbraw/zinc/43/04/01/1053430401.db2.gz DFPPUAIZSKDNST-HZPDHXFCSA-N 1 2 342.512 4.121 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765063414 1053434035 /nfs/dbraw/zinc/43/40/35/1053434035.db2.gz ZMYURMDHEREQQO-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000765063414 1053434044 /nfs/dbraw/zinc/43/40/44/1053434044.db2.gz ZMYURMDHEREQQO-HOTGVXAUSA-N 1 2 342.512 4.263 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852327342 1053568389 /nfs/dbraw/zinc/56/83/89/1053568389.db2.gz VZRDCMIGAPJYNU-SFHVURJKSA-N 1 2 345.368 4.158 20 30 EIEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852327342 1053568393 /nfs/dbraw/zinc/56/83/93/1053568393.db2.gz VZRDCMIGAPJYNU-SFHVURJKSA-N 1 2 345.368 4.158 20 30 EIEDLO CCOc1cccc(/C=[NH+]\CCc2csc(C(C)(C)C)n2)c1O ZINC000765501112 1053578703 /nfs/dbraw/zinc/57/87/03/1053578703.db2.gz VAVRAMHCOPJNEQ-ODLFYWEKSA-N 1 2 332.469 4.207 20 30 EIEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc2ccccc21 ZINC000794900018 1053643657 /nfs/dbraw/zinc/64/36/57/1053643657.db2.gz RMSKTZPMGQASNU-UHFFFAOYSA-N 1 2 341.418 4.362 20 30 EIEDLO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231810 1053658452 /nfs/dbraw/zinc/65/84/52/1053658452.db2.gz ABIZPSCEZJYTSM-KBPBESRZSA-N 1 2 340.423 4.001 20 30 EIEDLO C[C@@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1O ZINC000866254153 1053664972 /nfs/dbraw/zinc/66/49/72/1053664972.db2.gz MNJDRKHQBIVAKK-OAHLLOKOSA-N 1 2 338.451 4.430 20 30 EIEDLO Cc1ccc(F)cc1N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000853394029 1053674875 /nfs/dbraw/zinc/67/48/75/1053674875.db2.gz WOWHAWPPZAFITJ-UHFFFAOYSA-N 1 2 338.839 4.290 20 30 EIEDLO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866311902 1053686595 /nfs/dbraw/zinc/68/65/95/1053686595.db2.gz WVJYUDGLROUFEL-TWOQFEAHSA-N 1 2 336.435 4.082 20 30 EIEDLO COCCCC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866352400 1053698797 /nfs/dbraw/zinc/69/87/97/1053698797.db2.gz QBPRICSGHXQZOV-OXQOHEQNSA-N 1 2 338.451 4.472 20 30 EIEDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866403966 1053718231 /nfs/dbraw/zinc/71/82/31/1053718231.db2.gz HUBDJRPMJGILPL-WILYLXEWSA-N 1 2 342.826 4.098 20 30 EIEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000775805929 1054030478 /nfs/dbraw/zinc/03/04/78/1054030478.db2.gz IGKWNOQGQQEFTE-RRQGHBQHSA-N 1 2 344.842 4.135 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001198218659 1054096305 /nfs/dbraw/zinc/09/63/05/1054096305.db2.gz ITGLQIBENHEAIR-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001198218659 1054096320 /nfs/dbraw/zinc/09/63/20/1054096320.db2.gz ITGLQIBENHEAIR-LIRRHRJNSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001198218655 1054097424 /nfs/dbraw/zinc/09/74/24/1054097424.db2.gz ITGLQIBENHEAIR-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001198218655 1054097435 /nfs/dbraw/zinc/09/74/35/1054097435.db2.gz ITGLQIBENHEAIR-AUUYWEPGSA-N 1 2 326.827 4.346 20 30 EIEDLO CN(C)c1ccc(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)cc1 ZINC001203937881 1054429842 /nfs/dbraw/zinc/42/98/42/1054429842.db2.gz XCFQVMRYCOPWFA-UHFFFAOYSA-N 1 2 327.859 4.322 20 30 EIEDLO CN(C)c1ccc(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)cc1 ZINC001203937881 1054429854 /nfs/dbraw/zinc/42/98/54/1054429854.db2.gz XCFQVMRYCOPWFA-UHFFFAOYSA-N 1 2 327.859 4.322 20 30 EIEDLO CSc1nnc(SC)n1[NH+]=C[C@@H](CC(C)C)c1ccccc1 ZINC000872417737 1054445850 /nfs/dbraw/zinc/44/58/50/1054445850.db2.gz MBMZHHOASDLKLW-CQSZACIVSA-N 1 2 334.514 4.386 20 30 EIEDLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877528890 1055070418 /nfs/dbraw/zinc/07/04/18/1055070418.db2.gz NKLCQCGQSZTVLX-MRXNPFEDSA-N 1 2 343.862 4.064 20 30 EIEDLO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877528890 1055070428 /nfs/dbraw/zinc/07/04/28/1055070428.db2.gz NKLCQCGQSZTVLX-MRXNPFEDSA-N 1 2 343.862 4.064 20 30 EIEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1CCC(C#N)CC1 ZINC000878016753 1055175430 /nfs/dbraw/zinc/17/54/30/1055175430.db2.gz UOOXGTAGYRDQLA-AWEZNQCLSA-N 1 2 332.407 4.186 20 30 EIEDLO N#CC1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000878016616 1055175465 /nfs/dbraw/zinc/17/54/65/1055175465.db2.gz PENYBQMJDKROKH-UHFFFAOYSA-N 1 2 335.329 4.096 20 30 EIEDLO COc1ccc(Cl)cc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000741469247 1058227297 /nfs/dbraw/zinc/22/72/97/1058227297.db2.gz YWZKBOBEYRTLTC-SREVYHEPSA-N 1 2 326.783 4.201 20 30 EIEDLO CSc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1F ZINC000741764416 1058356751 /nfs/dbraw/zinc/35/67/51/1058356751.db2.gz IVGXKWHJXBAAIJ-UHFFFAOYSA-N 1 2 325.412 4.354 20 30 EIEDLO C=CCCC[N@@H+](C)Cn1nc(CCCc2ccccc2)oc1=S ZINC000743366260 1058951049 /nfs/dbraw/zinc/95/10/49/1058951049.db2.gz XBDWRAGREBVEON-UHFFFAOYSA-N 1 2 331.485 4.236 20 30 EIEDLO C=CCCC[N@H+](C)Cn1nc(CCCc2ccccc2)oc1=S ZINC000743366260 1058951070 /nfs/dbraw/zinc/95/10/70/1058951070.db2.gz XBDWRAGREBVEON-UHFFFAOYSA-N 1 2 331.485 4.236 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCc3ccsc3Br)c2)CC1 ZINC001169057237 1060613127 /nfs/dbraw/zinc/61/31/27/1060613127.db2.gz HFJFKSDXXISVNE-UHFFFAOYSA-N 1 2 334.242 4.073 20 30 EIEDLO C=CCOCC[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001169056932 1060613664 /nfs/dbraw/zinc/61/36/64/1060613664.db2.gz VCLHMQJKHRJTBY-UHFFFAOYSA-N 1 2 347.503 4.459 20 30 EIEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542860 1045817527 /nfs/dbraw/zinc/81/75/27/1045817527.db2.gz MTPYLTZPERQPTE-LBPRGKRZSA-N 1 2 341.318 4.110 20 30 EIEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542860 1045817535 /nfs/dbraw/zinc/81/75/35/1045817535.db2.gz MTPYLTZPERQPTE-LBPRGKRZSA-N 1 2 341.318 4.110 20 30 EIEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542858 1045817544 /nfs/dbraw/zinc/81/75/44/1045817544.db2.gz MTPYLTZPERQPTE-GFCCVEGCSA-N 1 2 341.318 4.110 20 30 EIEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542858 1045817552 /nfs/dbraw/zinc/81/75/52/1045817552.db2.gz MTPYLTZPERQPTE-GFCCVEGCSA-N 1 2 341.318 4.110 20 30 EIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccsc1C(F)(F)F ZINC000529564540 1032457853 /nfs/dbraw/zinc/45/78/53/1032457853.db2.gz FELLRRLHPQMJNL-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccsc1C(F)(F)F ZINC000529564540 1032457857 /nfs/dbraw/zinc/45/78/57/1032457857.db2.gz FELLRRLHPQMJNL-UHFFFAOYSA-N 1 2 345.386 4.431 20 30 EIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cnn(-c2ccccc2)c1 ZINC000783705669 1032511291 /nfs/dbraw/zinc/51/12/91/1032511291.db2.gz AZIIDLMYSCYIFU-VOTSOKGWSA-N 1 2 346.415 4.016 20 30 EIEDLO C=CCOc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1Cl ZINC000432787872 1032808608 /nfs/dbraw/zinc/80/86/08/1032808608.db2.gz VKFHZSWXAZEDOH-UHFFFAOYSA-N 1 2 345.874 4.070 20 30 EIEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1Cl ZINC000432787872 1032808611 /nfs/dbraw/zinc/80/86/11/1032808611.db2.gz VKFHZSWXAZEDOH-UHFFFAOYSA-N 1 2 345.874 4.070 20 30 EIEDLO C=CCOc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000432787872 1032808615 /nfs/dbraw/zinc/80/86/15/1032808615.db2.gz VKFHZSWXAZEDOH-UHFFFAOYSA-N 1 2 345.874 4.070 20 30 EIEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(Br)nc2)cc1 ZINC000748076401 1019563942 /nfs/dbraw/zinc/56/39/42/1019563942.db2.gz UNDWZYRWLTZNII-UHFFFAOYSA-N 1 2 347.260 4.136 20 30 EIEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)ccc1SC ZINC000254949009 1019601307 /nfs/dbraw/zinc/60/13/07/1019601307.db2.gz YLKQYTUSUGLEJC-FPLPWBNLSA-N 1 2 338.432 4.269 20 30 EIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2n1C(F)F ZINC000547747506 1019999243 /nfs/dbraw/zinc/99/92/43/1019999243.db2.gz LTDBEDQCDDJNLN-NSHDSACASA-N 1 2 344.340 4.293 20 30 EIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175457451 1020318025 /nfs/dbraw/zinc/31/80/25/1020318025.db2.gz VZVXUOASVADDCP-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175457451 1020318038 /nfs/dbraw/zinc/31/80/38/1020318038.db2.gz VZVXUOASVADDCP-GOSISDBHSA-N 1 2 346.352 4.151 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(Br)cccc2C1 ZINC001167279152 1020783718 /nfs/dbraw/zinc/78/37/18/1020783718.db2.gz HTZUCLLVFDULJJ-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(Br)cccc2C1 ZINC001167279152 1020783727 /nfs/dbraw/zinc/78/37/27/1020783727.db2.gz HTZUCLLVFDULJJ-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000610343882 1021335800 /nfs/dbraw/zinc/33/58/00/1021335800.db2.gz VQUOXCDCYUKRBF-HUUCEWRRSA-N 1 2 332.407 4.329 20 30 EIEDLO C=CCOc1c(Cl)cc(C[NH+]2CC(CC(F)F)C2)cc1OC ZINC000628318972 1021391186 /nfs/dbraw/zinc/39/11/86/1021391186.db2.gz CVJDYLHVEABTJU-UHFFFAOYSA-N 1 2 331.790 4.000 20 30 EIEDLO C=CCCC1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCC1 ZINC000636159241 1021467999 /nfs/dbraw/zinc/46/79/99/1021467999.db2.gz DKCFDHBKERQCJV-CQSZACIVSA-N 1 2 343.393 4.019 20 30 EIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1OC ZINC000512516539 1032991634 /nfs/dbraw/zinc/99/16/34/1032991634.db2.gz HVOJHHORQRHAEL-UHFFFAOYSA-N 1 2 331.435 4.190 20 30 EIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1OC ZINC000512516539 1032991653 /nfs/dbraw/zinc/99/16/53/1032991653.db2.gz HVOJHHORQRHAEL-UHFFFAOYSA-N 1 2 331.435 4.190 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000557059073 1022053498 /nfs/dbraw/zinc/05/34/98/1022053498.db2.gz VGEDWIQHJAZAJR-AWEZNQCLSA-N 1 2 342.936 4.423 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000557059073 1022053512 /nfs/dbraw/zinc/05/35/12/1022053512.db2.gz VGEDWIQHJAZAJR-AWEZNQCLSA-N 1 2 342.936 4.423 20 30 EIEDLO CCOCCCn1c(NCc2cc(C#N)cs2)[nH+]c2ccccc21 ZINC000158995671 1022060955 /nfs/dbraw/zinc/06/09/55/1022060955.db2.gz XGURDVJYJRIKPB-UHFFFAOYSA-N 1 2 340.452 4.008 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc(Br)ccc1F ZINC000255209911 1022172023 /nfs/dbraw/zinc/17/20/23/1022172023.db2.gz BHMKXIRDLRWOFI-ALCCZGGFSA-N 1 2 345.171 4.132 20 30 EIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccncc2)c2cc(F)ccc2F)s1 ZINC000377986653 1022189856 /nfs/dbraw/zinc/18/98/56/1022189856.db2.gz APMUCXNTHBREJY-GOSISDBHSA-N 1 2 341.386 4.172 20 30 EIEDLO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C#N)cc1 ZINC000365798906 1022860716 /nfs/dbraw/zinc/86/07/16/1022860716.db2.gz VLRUAEWRMVVCKD-FQEVSTJZSA-N 1 2 328.419 4.256 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001167465184 1023268215 /nfs/dbraw/zinc/26/82/15/1023268215.db2.gz VVJJMPJZBVZCAQ-PMACEKPBSA-N 1 2 335.838 4.483 20 30 EIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001167465184 1023268221 /nfs/dbraw/zinc/26/82/21/1023268221.db2.gz VVJJMPJZBVZCAQ-PMACEKPBSA-N 1 2 335.838 4.483 20 30 EIEDLO COc1ccccc1-c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000376833196 1023320568 /nfs/dbraw/zinc/32/05/68/1023320568.db2.gz QJWDVWCKKIAPIF-UHFFFAOYSA-N 1 2 345.402 4.001 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708149 1023695002 /nfs/dbraw/zinc/69/50/02/1023695002.db2.gz YCYISZFRNIJMLI-UHFFFAOYSA-N 1 2 346.409 4.207 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708149 1023695008 /nfs/dbraw/zinc/69/50/08/1023695008.db2.gz YCYISZFRNIJMLI-UHFFFAOYSA-N 1 2 346.409 4.207 20 30 EIEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000377706222 1023699932 /nfs/dbraw/zinc/69/99/32/1023699932.db2.gz YNZBMGKCTSUYEA-AWEZNQCLSA-N 1 2 335.382 4.016 20 30 EIEDLO C[C@@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)n1cc[nH+]c1 ZINC001126053741 1024014570 /nfs/dbraw/zinc/01/45/70/1024014570.db2.gz OVVSHJARSBLVRW-HNNXBMFYSA-N 1 2 346.390 4.137 20 30 EIEDLO C=CC[N@@H+](Cc1nn(CC)c2ccccc12)Cc1cccc(C#N)c1 ZINC000473134673 1024365683 /nfs/dbraw/zinc/36/56/83/1024365683.db2.gz ZOTYQDRFWSLLCX-UHFFFAOYSA-N 1 2 330.435 4.116 20 30 EIEDLO C=CC[N@H+](Cc1nn(CC)c2ccccc12)Cc1cccc(C#N)c1 ZINC000473134673 1024365704 /nfs/dbraw/zinc/36/57/04/1024365704.db2.gz ZOTYQDRFWSLLCX-UHFFFAOYSA-N 1 2 330.435 4.116 20 30 EIEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000092128812 1024663624 /nfs/dbraw/zinc/66/36/24/1024663624.db2.gz DUWZUSYQEUNJDQ-UHFFFAOYSA-N 1 2 345.377 4.364 20 30 EIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000092128812 1024663660 /nfs/dbraw/zinc/66/36/60/1024663660.db2.gz DUWZUSYQEUNJDQ-UHFFFAOYSA-N 1 2 345.377 4.364 20 30 EIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(-c2ccncc2)c1 ZINC000255405810 1024759928 /nfs/dbraw/zinc/75/99/28/1024759928.db2.gz WEHTZMWDOSEAMZ-FPLPWBNLSA-N 1 2 325.371 4.292 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162898382 1025065548 /nfs/dbraw/zinc/06/55/48/1025065548.db2.gz CVKSZTNLAXYYRO-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162898382 1025065557 /nfs/dbraw/zinc/06/55/57/1025065557.db2.gz CVKSZTNLAXYYRO-UHFFFAOYSA-N 1 2 346.475 4.096 20 30 EIEDLO Cc1nc(C2([NH2+]Cc3ccccc3C(C)(C)C#N)CCCCC2)no1 ZINC000610859197 1025072236 /nfs/dbraw/zinc/07/22/36/1025072236.db2.gz NAVRKNBNHCWAQD-UHFFFAOYSA-N 1 2 338.455 4.128 20 30 EIEDLO CC(=NNc1cccc2cnccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000728432394 1025413221 /nfs/dbraw/zinc/41/32/21/1025413221.db2.gz SIJBBONAWIXOFK-UHFFFAOYSA-N 1 2 327.391 4.257 20 30 EIEDLO N#Cc1cccc(OC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000519201461 1025593748 /nfs/dbraw/zinc/59/37/48/1025593748.db2.gz MNKVPJDKFOQCFR-UHFFFAOYSA-N 1 2 344.817 4.394 20 30 EIEDLO N#Cc1cscc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000432713197 1026811691 /nfs/dbraw/zinc/81/16/91/1026811691.db2.gz DYTHIKVYTWAFEP-UHFFFAOYSA-N 1 2 348.431 4.072 20 30 EIEDLO C=C(C)[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000302390022 1027305238 /nfs/dbraw/zinc/30/52/38/1027305238.db2.gz JGNAQWWNUKPABL-MRXNPFEDSA-N 1 2 326.350 4.220 20 30 EIEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727880 1027523377 /nfs/dbraw/zinc/52/33/77/1027523377.db2.gz WQPWRXVJFHPKAC-KBPBESRZSA-N 1 2 332.407 4.329 20 30 EIEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)on1 ZINC000328799644 1027813707 /nfs/dbraw/zinc/81/37/07/1027813707.db2.gz XSUHFNFIHJYCMS-ROUUACIJSA-N 1 2 339.439 4.154 20 30 EIEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCc3ccccc32)on1 ZINC000328799644 1027813721 /nfs/dbraw/zinc/81/37/21/1027813721.db2.gz XSUHFNFIHJYCMS-ROUUACIJSA-N 1 2 339.439 4.154 20 30 EIEDLO CCC(CC)c1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)on1 ZINC000925155096 1027823057 /nfs/dbraw/zinc/82/30/57/1027823057.db2.gz GYULTTSMIXQPBJ-KRWDZBQOSA-N 1 2 327.428 4.396 20 30 EIEDLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329506602 1027823862 /nfs/dbraw/zinc/82/38/62/1027823862.db2.gz IVZZQYSCRNGICX-JCGIZDLHSA-N 1 2 340.471 4.058 20 30 EIEDLO CC[C@@](C)(NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1nc(C)cs1 ZINC000331226825 1027936438 /nfs/dbraw/zinc/93/64/38/1027936438.db2.gz DCNIMZRSNQFMFO-QGZVFWFLSA-N 1 2 332.473 4.232 20 30 EIEDLO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237831 1028235361 /nfs/dbraw/zinc/23/53/61/1028235361.db2.gz HSWXGZFTBYBCQO-CHWSQXEVSA-N 1 2 331.485 4.349 20 30 EIEDLO CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330237831 1028235370 /nfs/dbraw/zinc/23/53/70/1028235370.db2.gz HSWXGZFTBYBCQO-CHWSQXEVSA-N 1 2 331.485 4.349 20 30 EIEDLO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000583506115 1028822792 /nfs/dbraw/zinc/82/27/92/1028822792.db2.gz LYKGVHKXPCEMGB-GOSISDBHSA-N 1 2 337.423 4.227 20 30 EIEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000157667052 1029135463 /nfs/dbraw/zinc/13/54/63/1029135463.db2.gz OSBPBIKNWNLQGY-ZDUSSCGKSA-N 1 2 342.830 4.104 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000121279015 1029622466 /nfs/dbraw/zinc/62/24/66/1029622466.db2.gz FWIOBHOQBYRPAX-CYBMUJFWSA-N 1 2 337.448 4.370 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000121279015 1029622471 /nfs/dbraw/zinc/62/24/71/1029622471.db2.gz FWIOBHOQBYRPAX-CYBMUJFWSA-N 1 2 337.448 4.370 20 30 EIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1ccc(F)c(F)c1 ZINC000187785096 1029787696 /nfs/dbraw/zinc/78/76/96/1029787696.db2.gz WTECLDBDPBMKQX-GOSISDBHSA-N 1 2 349.352 4.298 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448273270 1030687949 /nfs/dbraw/zinc/68/79/49/1030687949.db2.gz XWPKQPQPNXKXMT-HMXCVIKNSA-N 1 2 326.484 4.183 20 30 EIEDLO C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448273270 1030687980 /nfs/dbraw/zinc/68/79/80/1030687980.db2.gz XWPKQPQPNXKXMT-HMXCVIKNSA-N 1 2 326.484 4.183 20 30 EIEDLO N#Cc1ccc(CCNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)cc1 ZINC001167679705 1030766395 /nfs/dbraw/zinc/76/63/95/1030766395.db2.gz WEJRGPQKRCAVRQ-UHFFFAOYSA-N 1 2 330.313 4.108 20 30 EIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471179 1030899395 /nfs/dbraw/zinc/89/93/95/1030899395.db2.gz DAZGQMKAWAPQKZ-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471179 1030899401 /nfs/dbraw/zinc/89/94/01/1030899401.db2.gz DAZGQMKAWAPQKZ-UHFFFAOYSA-N 1 2 327.359 4.016 20 30 EIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nc2ccc(Cl)cc2n1C ZINC000760253579 1030921423 /nfs/dbraw/zinc/92/14/23/1030921423.db2.gz USGGFUTYPRNNLI-UHFFFAOYSA-N 1 2 349.825 4.033 20 30 EIEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161446 1031074355 /nfs/dbraw/zinc/07/43/55/1031074355.db2.gz BQMFRSOBBNCXGM-IAGOWNOFSA-N 1 2 333.273 4.452 20 30 EIEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000612161446 1031074380 /nfs/dbraw/zinc/07/43/80/1031074380.db2.gz BQMFRSOBBNCXGM-IAGOWNOFSA-N 1 2 333.273 4.452 20 30 EIEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000113331033 1031360139 /nfs/dbraw/zinc/36/01/39/1031360139.db2.gz RTKYMSSCLVOJLJ-IBGZPJMESA-N 1 2 334.444 4.034 20 30 EIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000612406418 1031480890 /nfs/dbraw/zinc/48/08/90/1031480890.db2.gz LSBUCYJNPYSAIU-QFIPXVFZSA-N 1 2 348.494 4.351 20 30 EIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000612406418 1031480900 /nfs/dbraw/zinc/48/09/00/1031480900.db2.gz LSBUCYJNPYSAIU-QFIPXVFZSA-N 1 2 348.494 4.351 20 30 EIEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCC ZINC000612404394 1031486113 /nfs/dbraw/zinc/48/61/13/1031486113.db2.gz YBVSFZLOMSTMLJ-HXUWFJFHSA-N 1 2 330.472 4.390 20 30 EIEDLO CCCCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCC ZINC000612404394 1031486126 /nfs/dbraw/zinc/48/61/26/1031486126.db2.gz YBVSFZLOMSTMLJ-HXUWFJFHSA-N 1 2 330.472 4.390 20 30 EIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccccc1Br ZINC000162252077 1031601374 /nfs/dbraw/zinc/60/13/74/1031601374.db2.gz PYZVRYHKNNYKGK-UHFFFAOYSA-N 1 2 346.228 4.139 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000614166778 1033549192 /nfs/dbraw/zinc/54/91/92/1033549192.db2.gz OLMUECGRTNNQQP-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000614166778 1033549210 /nfs/dbraw/zinc/54/92/10/1033549210.db2.gz OLMUECGRTNNQQP-HXUWFJFHSA-N 1 2 338.426 4.200 20 30 EIEDLO CC(C)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C2CC2)no1 ZINC000614182797 1033625172 /nfs/dbraw/zinc/62/51/72/1033625172.db2.gz IKRKDTCAVVFWMG-KRWDZBQOSA-N 1 2 338.455 4.235 20 30 EIEDLO CCS[C@H](C)c1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433007502 1033643276 /nfs/dbraw/zinc/64/32/76/1033643276.db2.gz ACFYNMKWORZSLA-GDBMZVCRSA-N 1 2 344.484 4.408 20 30 EIEDLO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673190 1033680962 /nfs/dbraw/zinc/68/09/62/1033680962.db2.gz PGLQWQDYZSGXQR-KSSFIOAISA-N 1 2 329.419 4.024 20 30 EIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000509800086 1033997146 /nfs/dbraw/zinc/99/71/46/1033997146.db2.gz WAJVWLIGIXKJPM-SECBINFHSA-N 1 2 335.167 4.059 20 30 EIEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000509800086 1033997134 /nfs/dbraw/zinc/99/71/34/1033997134.db2.gz WAJVWLIGIXKJPM-SECBINFHSA-N 1 2 335.167 4.059 20 30 EIEDLO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1csnn1 ZINC000412049536 1034175567 /nfs/dbraw/zinc/17/55/67/1034175567.db2.gz ZCHCQSYIGSDPMG-MRXNPFEDSA-N 1 2 348.475 4.089 20 30 EIEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1c(F)cncc1F ZINC000513272262 1034863693 /nfs/dbraw/zinc/86/36/93/1034863693.db2.gz POQQEXNFGVJOHB-LLVKDONJSA-N 1 2 340.295 4.081 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000501267439 1035411340 /nfs/dbraw/zinc/41/13/40/1035411340.db2.gz XKKLVIJAJGOVFB-UHFFFAOYSA-N 1 2 328.362 4.010 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000501267439 1035411345 /nfs/dbraw/zinc/41/13/45/1035411345.db2.gz XKKLVIJAJGOVFB-UHFFFAOYSA-N 1 2 328.362 4.010 20 30 EIEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000501268901 1035411441 /nfs/dbraw/zinc/41/14/41/1035411441.db2.gz LJAUVRZDFSEZCO-UHFFFAOYSA-N 1 2 332.403 4.362 20 30 EIEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000501268901 1035411444 /nfs/dbraw/zinc/41/14/44/1035411444.db2.gz LJAUVRZDFSEZCO-UHFFFAOYSA-N 1 2 332.403 4.362 20 30 EIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592997826 1035670749 /nfs/dbraw/zinc/67/07/49/1035670749.db2.gz URRIYZOKRNBUKC-UHFFFAOYSA-N 1 2 335.816 4.203 20 30 EIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592997826 1035670768 /nfs/dbraw/zinc/67/07/68/1035670768.db2.gz URRIYZOKRNBUKC-UHFFFAOYSA-N 1 2 335.816 4.203 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(C(C)C)cc1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000595578024 1035699506 /nfs/dbraw/zinc/69/95/06/1035699506.db2.gz BPLDODMQYRPNDW-IBGZPJMESA-N 1 2 349.540 4.109 20 30 EIEDLO C=CC[N@H+](Cc1ccc(C(C)C)cc1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000595578024 1035699522 /nfs/dbraw/zinc/69/95/22/1035699522.db2.gz BPLDODMQYRPNDW-IBGZPJMESA-N 1 2 349.540 4.109 20 30 EIEDLO C#CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000490877047 1035705148 /nfs/dbraw/zinc/70/51/48/1035705148.db2.gz WCBCUDRJJMDUQA-MOPGFXCFSA-N 1 2 338.476 4.117 20 30 EIEDLO C#CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)[C@@H]1CCc2ccccc21 ZINC000490877047 1035705172 /nfs/dbraw/zinc/70/51/72/1035705172.db2.gz WCBCUDRJJMDUQA-MOPGFXCFSA-N 1 2 338.476 4.117 20 30 EIEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595616079 1035747856 /nfs/dbraw/zinc/74/78/56/1035747856.db2.gz OUADKFJXVLJRNG-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595616079 1035747876 /nfs/dbraw/zinc/74/78/76/1035747876.db2.gz OUADKFJXVLJRNG-QGZVFWFLSA-N 1 2 349.434 4.043 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674481 1035765251 /nfs/dbraw/zinc/76/52/51/1035765251.db2.gz JRNKDUSNWWXWRF-HNAYVOBHSA-N 1 2 349.434 4.096 20 30 EIEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674481 1035765277 /nfs/dbraw/zinc/76/52/77/1035765277.db2.gz JRNKDUSNWWXWRF-HNAYVOBHSA-N 1 2 349.434 4.096 20 30 EIEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)ccc1SC ZINC000151419921 1035773322 /nfs/dbraw/zinc/77/33/22/1035773322.db2.gz QMVDCAYAODUEMG-VOTSOKGWSA-N 1 2 338.432 4.269 20 30 EIEDLO Cc1nc2ccccc2n1CCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593124826 1035799389 /nfs/dbraw/zinc/79/93/89/1035799389.db2.gz JPWAEIWXPPNRIK-UHFFFAOYSA-N 1 2 344.462 4.403 20 30 EIEDLO Cc1nc2ccccc2n1CCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593124826 1035799410 /nfs/dbraw/zinc/79/94/10/1035799410.db2.gz JPWAEIWXPPNRIK-UHFFFAOYSA-N 1 2 344.462 4.403 20 30 EIEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889137 1035802491 /nfs/dbraw/zinc/80/24/91/1035802491.db2.gz HMSDTPVZAAZVRP-UKRRQHHQSA-N 1 2 340.389 4.029 20 30 EIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889137 1035802494 /nfs/dbraw/zinc/80/24/94/1035802494.db2.gz HMSDTPVZAAZVRP-UKRRQHHQSA-N 1 2 340.389 4.029 20 30 EIEDLO C=C(C)[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccc(F)c(F)c1 ZINC000420839734 1035845589 /nfs/dbraw/zinc/84/55/89/1035845589.db2.gz TXJHQONWCJNQKE-SFHVURJKSA-N 1 2 345.393 4.093 20 30 EIEDLO N#CC1(c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)CCOCC1 ZINC000596641253 1035957561 /nfs/dbraw/zinc/95/75/61/1035957561.db2.gz FLRZPCONZLRNEH-UHFFFAOYSA-N 1 2 343.430 4.170 20 30 EIEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000618807704 1036056327 /nfs/dbraw/zinc/05/63/27/1036056327.db2.gz VVUYSZNCTNTFFT-RBUKOAKNSA-N 1 2 326.390 4.402 20 30 EIEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000597230932 1036166541 /nfs/dbraw/zinc/16/65/41/1036166541.db2.gz VAZISLYFUFSIDZ-HXUWFJFHSA-N 1 2 348.475 4.336 20 30 EIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000597230932 1036166548 /nfs/dbraw/zinc/16/65/48/1036166548.db2.gz VAZISLYFUFSIDZ-HXUWFJFHSA-N 1 2 348.475 4.336 20 30 EIEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)CC2 ZINC000571812234 1036258862 /nfs/dbraw/zinc/25/88/62/1036258862.db2.gz FCVNFGRLHDRSAH-IAGOWNOFSA-N 1 2 347.245 4.176 20 30 EIEDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(Br)cc1C#N ZINC000588200235 1036296085 /nfs/dbraw/zinc/29/60/85/1036296085.db2.gz CCASNVZNXAVUIZ-UHFFFAOYSA-N 1 2 335.167 4.095 20 30 EIEDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(Br)cc1C#N ZINC000588200235 1036296105 /nfs/dbraw/zinc/29/61/05/1036296105.db2.gz CCASNVZNXAVUIZ-UHFFFAOYSA-N 1 2 335.167 4.095 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000588211865 1036313325 /nfs/dbraw/zinc/31/33/25/1036313325.db2.gz XIGOIKMOIJIQRB-SFHVURJKSA-N 1 2 336.439 4.244 20 30 EIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000588211865 1036313340 /nfs/dbraw/zinc/31/33/40/1036313340.db2.gz XIGOIKMOIJIQRB-SFHVURJKSA-N 1 2 336.439 4.244 20 30 EIEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000588211820 1036313516 /nfs/dbraw/zinc/31/35/16/1036313516.db2.gz GKCRBYJEQYXLPT-GOSISDBHSA-N 1 2 336.439 4.130 20 30 EIEDLO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000588211820 1036313529 /nfs/dbraw/zinc/31/35/29/1036313529.db2.gz GKCRBYJEQYXLPT-GOSISDBHSA-N 1 2 336.439 4.130 20 30 EIEDLO C[C@H](CCC#N)CNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000602495231 1036468218 /nfs/dbraw/zinc/46/82/18/1036468218.db2.gz KBEYQODHASZUQY-OAHLLOKOSA-N 1 2 328.485 4.127 20 30 EIEDLO C[C@H](CCC#N)CNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000602495231 1036468236 /nfs/dbraw/zinc/46/82/36/1036468236.db2.gz KBEYQODHASZUQY-OAHLLOKOSA-N 1 2 328.485 4.127 20 30 EIEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000602870873 1036651936 /nfs/dbraw/zinc/65/19/36/1036651936.db2.gz XYYFCCFMOKBNND-HUUCEWRRSA-N 1 2 339.464 4.057 20 30 EIEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498252 1036803112 /nfs/dbraw/zinc/80/31/12/1036803112.db2.gz RTKHXYBWIARQSY-UHFFFAOYSA-N 1 2 345.324 4.350 20 30 EIEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498252 1036803114 /nfs/dbraw/zinc/80/31/14/1036803114.db2.gz RTKHXYBWIARQSY-UHFFFAOYSA-N 1 2 345.324 4.350 20 30 EIEDLO CC(C)(C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000589511463 1036819801 /nfs/dbraw/zinc/81/98/01/1036819801.db2.gz LXCFYBVSDXSHRH-UHFFFAOYSA-N 1 2 335.167 4.107 20 30 EIEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676451 1037118635 /nfs/dbraw/zinc/11/86/35/1037118635.db2.gz RJPOSMYAYIMIIB-UHFFFAOYSA-N 1 2 343.430 4.274 20 30 EIEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676451 1037118643 /nfs/dbraw/zinc/11/86/43/1037118643.db2.gz RJPOSMYAYIMIIB-UHFFFAOYSA-N 1 2 343.430 4.274 20 30 EIEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000591373849 1037397015 /nfs/dbraw/zinc/39/70/15/1037397015.db2.gz DVOZDFICGGHAES-HNNXBMFYSA-N 1 2 334.891 4.290 20 30 EIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000591373849 1037397025 /nfs/dbraw/zinc/39/70/25/1037397025.db2.gz DVOZDFICGGHAES-HNNXBMFYSA-N 1 2 334.891 4.290 20 30 EIEDLO CC(C)Oc1ccnc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000593013194 1037891383 /nfs/dbraw/zinc/89/13/83/1037891383.db2.gz IEDBPDFITISYAF-NHCUHLMSSA-N 1 2 335.451 4.141 20 30 EIEDLO CC(C)Oc1ccnc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000593013194 1037891390 /nfs/dbraw/zinc/89/13/90/1037891390.db2.gz IEDBPDFITISYAF-NHCUHLMSSA-N 1 2 335.451 4.141 20 30 EIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000489430830 1038045670 /nfs/dbraw/zinc/04/56/70/1038045670.db2.gz DRUXWFCUGSVJQD-HZPDHXFCSA-N 1 2 343.496 4.060 20 30 EIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000489430830 1038045689 /nfs/dbraw/zinc/04/56/89/1038045689.db2.gz DRUXWFCUGSVJQD-HZPDHXFCSA-N 1 2 343.496 4.060 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000489565587 1038138524 /nfs/dbraw/zinc/13/85/24/1038138524.db2.gz IWQQQMITULFJDH-HXUWFJFHSA-N 1 2 342.389 4.018 20 30 EIEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000489565587 1038138538 /nfs/dbraw/zinc/13/85/38/1038138538.db2.gz IWQQQMITULFJDH-HXUWFJFHSA-N 1 2 342.389 4.018 20 30 EIEDLO CC(C)[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750715 1038814954 /nfs/dbraw/zinc/81/49/54/1038814954.db2.gz NGPNRMGOGWDUEU-UHFFFAOYSA-N 1 2 344.462 4.214 20 30 EIEDLO CC(C)[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750715 1038814959 /nfs/dbraw/zinc/81/49/59/1038814959.db2.gz NGPNRMGOGWDUEU-UHFFFAOYSA-N 1 2 344.462 4.214 20 30 EIEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(C)C ZINC000612404357 1038817129 /nfs/dbraw/zinc/81/71/29/1038817129.db2.gz KAFQYHZQZUYYBA-FQEVSTJZSA-N 1 2 330.472 4.246 20 30 EIEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(C)C ZINC000612404357 1038817131 /nfs/dbraw/zinc/81/71/31/1038817131.db2.gz KAFQYHZQZUYYBA-FQEVSTJZSA-N 1 2 330.472 4.246 20 30 EIEDLO C=CCCc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000505044613 1038895320 /nfs/dbraw/zinc/89/53/20/1038895320.db2.gz CEGMHUSKFMTTJN-QFBILLFUSA-N 1 2 338.455 4.117 20 30 EIEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232813 1039278649 /nfs/dbraw/zinc/27/86/49/1039278649.db2.gz AFDQBCIBCKZZPX-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232813 1039278677 /nfs/dbraw/zinc/27/86/77/1039278677.db2.gz AFDQBCIBCKZZPX-UHFFFAOYSA-N 1 2 336.366 4.198 20 30 EIEDLO C=CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000435281519 1040247805 /nfs/dbraw/zinc/24/78/05/1040247805.db2.gz QAHJBIFUELMSMN-HXUWFJFHSA-N 1 2 331.419 4.310 20 30 EIEDLO Cc1oc(-c2ccsc2)nc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551410795 1040271542 /nfs/dbraw/zinc/27/15/42/1040271542.db2.gz DYHNOPZTIFGBQY-UHFFFAOYSA-N 1 2 335.432 4.362 20 30 EIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000551689549 1040502600 /nfs/dbraw/zinc/50/26/00/1040502600.db2.gz VEWDSPNPMFTWSD-AWEZNQCLSA-N 1 2 340.920 4.037 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000551689549 1040502614 /nfs/dbraw/zinc/50/26/14/1040502614.db2.gz VEWDSPNPMFTWSD-AWEZNQCLSA-N 1 2 340.920 4.037 20 30 EIEDLO CC#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000160574471 1040612991 /nfs/dbraw/zinc/61/29/91/1040612991.db2.gz NQGGWCJTTIVHGV-UHFFFAOYSA-N 1 2 346.780 4.031 20 30 EIEDLO CC#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000160574471 1040612997 /nfs/dbraw/zinc/61/29/97/1040612997.db2.gz NQGGWCJTTIVHGV-UHFFFAOYSA-N 1 2 346.780 4.031 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171413 1040684501 /nfs/dbraw/zinc/68/45/01/1040684501.db2.gz QADIMNOLMKLHKN-HNNXBMFYSA-N 1 2 348.903 4.009 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171413 1040684524 /nfs/dbraw/zinc/68/45/24/1040684524.db2.gz QADIMNOLMKLHKN-HNNXBMFYSA-N 1 2 348.903 4.009 20 30 EIEDLO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000484096198 1041114631 /nfs/dbraw/zinc/11/46/31/1041114631.db2.gz SRAGEAIMPYGIGH-FQEVSTJZSA-N 1 2 348.494 4.084 20 30 EIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000506494444 1041454736 /nfs/dbraw/zinc/45/47/36/1041454736.db2.gz DPPJUWLHGQYPRL-UHFFFAOYSA-N 1 2 333.229 4.445 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000506494444 1041454741 /nfs/dbraw/zinc/45/47/41/1041454741.db2.gz DPPJUWLHGQYPRL-UHFFFAOYSA-N 1 2 333.229 4.445 20 30 EIEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000540663786 1041592734 /nfs/dbraw/zinc/59/27/34/1041592734.db2.gz CQYYXIJNCLJXMJ-HNNXBMFYSA-N 1 2 326.362 4.019 20 30 EIEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000540663786 1041592740 /nfs/dbraw/zinc/59/27/40/1041592740.db2.gz CQYYXIJNCLJXMJ-HNNXBMFYSA-N 1 2 326.362 4.019 20 30 EIEDLO C=CC[N@H+](Cc1cccs1)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000506004570 1041717083 /nfs/dbraw/zinc/71/70/83/1041717083.db2.gz CEAMFXXHZISOHW-UHFFFAOYSA-N 1 2 346.525 4.472 20 30 EIEDLO C=CC[N@@H+](Cc1cccs1)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000506004570 1041717089 /nfs/dbraw/zinc/71/70/89/1041717089.db2.gz CEAMFXXHZISOHW-UHFFFAOYSA-N 1 2 346.525 4.472 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(Br)s1 ZINC000541222241 1041856922 /nfs/dbraw/zinc/85/69/22/1041856922.db2.gz AVKIADPUYIQCCW-UHFFFAOYSA-N 1 2 337.286 4.136 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncc(Br)s1 ZINC000541222241 1041856924 /nfs/dbraw/zinc/85/69/24/1041856924.db2.gz AVKIADPUYIQCCW-UHFFFAOYSA-N 1 2 337.286 4.136 20 30 EIEDLO N#CCSCCC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000437888267 1041943479 /nfs/dbraw/zinc/94/34/79/1041943479.db2.gz HGIAQZSHEVZFNI-UHFFFAOYSA-N 1 2 326.465 4.088 20 30 EIEDLO N#CCSCCC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000437888267 1041943487 /nfs/dbraw/zinc/94/34/87/1041943487.db2.gz HGIAQZSHEVZFNI-UHFFFAOYSA-N 1 2 326.465 4.088 20 30 EIEDLO CC(C)COC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000541627360 1042044695 /nfs/dbraw/zinc/04/46/95/1042044695.db2.gz VPSMNKOCMWVYES-SFHVURJKSA-N 1 2 331.843 4.288 20 30 EIEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)c1C#N ZINC000541660931 1042061331 /nfs/dbraw/zinc/06/13/31/1042061331.db2.gz UEPGMYPIRXENBC-AWEZNQCLSA-N 1 2 348.402 4.250 20 30 EIEDLO C=CCCCN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439019121 1042469826 /nfs/dbraw/zinc/46/98/26/1042469826.db2.gz CIQFGBYOMOJQQX-UHFFFAOYSA-N 1 2 338.455 4.316 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccsc2)s1)c1ccc(F)cc1 ZINC000491641236 1042484358 /nfs/dbraw/zinc/48/43/58/1042484358.db2.gz PSDGTUDIZQZSNW-INIZCTEOSA-N 1 2 328.437 4.475 20 30 EIEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449158 1042634765 /nfs/dbraw/zinc/63/47/65/1042634765.db2.gz IASLCFPHEGCALU-LIRRHRJNSA-N 1 2 326.827 4.174 20 30 EIEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449158 1042634768 /nfs/dbraw/zinc/63/47/68/1042634768.db2.gz IASLCFPHEGCALU-LIRRHRJNSA-N 1 2 326.827 4.174 20 30 EIEDLO Clc1ccc(C#CC[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000426391275 1042636745 /nfs/dbraw/zinc/63/67/45/1042636745.db2.gz SMXKGDOHWORDFQ-OAQYLSRUSA-N 1 2 332.834 4.466 20 30 EIEDLO CC(=[NH+]NC(=S)Nc1ccccc1C(C)C)c1ccc(N)cc1 ZINC000727061934 1043127820 /nfs/dbraw/zinc/12/78/20/1043127820.db2.gz QQBZFKLNBZEAJA-UHFFFAOYSA-N 1 2 326.469 4.103 20 30 EIEDLO CCSc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000184787549 1043129695 /nfs/dbraw/zinc/12/96/95/1043129695.db2.gz KYJOLKOJEWLMKW-UHFFFAOYSA-N 1 2 327.453 4.488 20 30 EIEDLO CCn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc2c1cccc2F ZINC000171381595 1043544883 /nfs/dbraw/zinc/54/48/83/1043544883.db2.gz MYKUPZSIYWPSNY-UHFFFAOYSA-N 1 2 348.425 4.232 20 30 EIEDLO CCn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc2c1cccc2F ZINC000171381595 1043544908 /nfs/dbraw/zinc/54/49/08/1043544908.db2.gz MYKUPZSIYWPSNY-UHFFFAOYSA-N 1 2 348.425 4.232 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000487416370 1043679998 /nfs/dbraw/zinc/67/99/98/1043679998.db2.gz QYPQRMQPBWKCKZ-UHFFFAOYSA-N 1 2 344.462 4.413 20 30 EIEDLO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000487416370 1043680000 /nfs/dbraw/zinc/68/00/00/1043680000.db2.gz QYPQRMQPBWKCKZ-UHFFFAOYSA-N 1 2 344.462 4.413 20 30 EIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000731659771 1043810069 /nfs/dbraw/zinc/81/00/69/1043810069.db2.gz ZEOLIDFLIBFLAT-UHFFFAOYSA-N 1 2 339.464 4.266 20 30 EIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000731659771 1043810070 /nfs/dbraw/zinc/81/00/70/1043810070.db2.gz ZEOLIDFLIBFLAT-UHFFFAOYSA-N 1 2 339.464 4.266 20 30 EIEDLO C=CC[N@H+](CC1CCCCC1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000732668781 1043980318 /nfs/dbraw/zinc/98/03/18/1043980318.db2.gz GBEPLJSGWVNFNZ-OAHLLOKOSA-N 1 2 334.529 4.060 20 30 EIEDLO C=CC[N@@H+](CC1CCCCC1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000732668781 1043980331 /nfs/dbraw/zinc/98/03/31/1043980331.db2.gz GBEPLJSGWVNFNZ-OAHLLOKOSA-N 1 2 334.529 4.060 20 30 EIEDLO FC(F)Oc1cccc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000732924733 1044037643 /nfs/dbraw/zinc/03/76/43/1044037643.db2.gz GFPIPZJDXLSYGC-UHFFFAOYSA-N 1 2 347.752 4.358 20 30 EIEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCC2)n1 ZINC000494784972 1044229409 /nfs/dbraw/zinc/22/94/09/1044229409.db2.gz NHMNTKSPBOJDHQ-UHFFFAOYSA-N 1 2 349.406 4.094 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757322 1044439585 /nfs/dbraw/zinc/43/95/85/1044439585.db2.gz QSJAHRFBIPPBIL-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757322 1044439599 /nfs/dbraw/zinc/43/95/99/1044439599.db2.gz QSJAHRFBIPPBIL-IFXJQAMLSA-N 1 2 326.827 4.346 20 30 EIEDLO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000494936995 1044535682 /nfs/dbraw/zinc/53/56/82/1044535682.db2.gz KJLITRNUCVZAJA-ICSRJNTNSA-N 1 2 338.426 4.496 20 30 EIEDLO CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000494936995 1044535699 /nfs/dbraw/zinc/53/56/99/1044535699.db2.gz KJLITRNUCVZAJA-ICSRJNTNSA-N 1 2 338.426 4.496 20 30 EIEDLO CCOc1cccc2cc(C(=O)/C=C/c3c[nH+]c4ccccn34)oc21 ZINC000740764725 1045220154 /nfs/dbraw/zinc/22/01/54/1045220154.db2.gz CTWGMNZJNIMYOZ-MDZDMXLPSA-N 1 2 332.359 4.375 20 30 EIEDLO N#C[C@@H](Cc1ccccc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000611131323 1045254877 /nfs/dbraw/zinc/25/48/77/1045254877.db2.gz PGLTUJNHQDDMAT-LJQANCHMSA-N 1 2 340.430 4.149 20 30 EIEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000611263695 1045269136 /nfs/dbraw/zinc/26/91/36/1045269136.db2.gz IMVDHESBXVZIJC-DTORHVGOSA-N 1 2 342.308 4.182 20 30 EIEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000611263695 1045269148 /nfs/dbraw/zinc/26/91/48/1045269148.db2.gz IMVDHESBXVZIJC-DTORHVGOSA-N 1 2 342.308 4.182 20 30 EIEDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611390548 1045302658 /nfs/dbraw/zinc/30/26/58/1045302658.db2.gz GWUCDKUJVIVNDO-RTWAWAEBSA-N 1 2 342.446 4.048 20 30 EIEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455487595 1045697224 /nfs/dbraw/zinc/69/72/24/1045697224.db2.gz SWCKNWRVNMGEIS-UHFFFAOYSA-N 1 2 327.403 4.366 20 30 EIEDLO c1sc(N=NC2CCN(c3cccc[nH+]3)CC2)nc1-c1ccccc1 ZINC000915955647 1045841633 /nfs/dbraw/zinc/84/16/33/1045841633.db2.gz HYJLWDWWBNFTBS-UHFFFAOYSA-N 1 2 349.463 4.273 20 30 EIEDLO CC(=[NH+]Nc1c(C)cccc1F)c1ccc(N2CCCC2)cc1O ZINC000769841063 1046089365 /nfs/dbraw/zinc/08/93/65/1046089365.db2.gz STSPSQSGRWYWKT-UHFFFAOYSA-N 1 2 327.403 4.276 20 30 EIEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769934027 1046116462 /nfs/dbraw/zinc/11/64/62/1046116462.db2.gz SQROUSTXDABXSD-UHFFFAOYSA-N 1 2 335.270 4.028 20 30 EIEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000769934027 1046116458 /nfs/dbraw/zinc/11/64/58/1046116458.db2.gz SQROUSTXDABXSD-UHFFFAOYSA-N 1 2 335.270 4.028 20 30 EIEDLO COc1ccc([C@H]([NH2+]Cc2ccccc2C#N)c2ccccc2)cc1 ZINC000611565616 1046185424 /nfs/dbraw/zinc/18/54/24/1046185424.db2.gz SZLSJASHUJGEQO-JOCHJYFZSA-N 1 2 328.415 4.446 20 30 EIEDLO COc1cccc2cc(C(=O)/C=C\c3c[nH+]c4ccc(C)cn34)oc21 ZINC000771851009 1046514700 /nfs/dbraw/zinc/51/47/00/1046514700.db2.gz ONSFAEMGELXWAL-FPLPWBNLSA-N 1 2 332.359 4.294 20 30 EIEDLO C[C@H]1C[C@]1([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000459439627 1046685546 /nfs/dbraw/zinc/68/55/46/1046685546.db2.gz WDLRNSLMXLWDOR-KPZWWZAWSA-N 1 2 341.798 4.145 20 30 EIEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000127610307 1046705121 /nfs/dbraw/zinc/70/51/21/1046705121.db2.gz WUCGHKCCUUIXMI-UHFFFAOYSA-N 1 2 334.423 4.176 20 30 EIEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000127610307 1046705139 /nfs/dbraw/zinc/70/51/39/1046705139.db2.gz WUCGHKCCUUIXMI-UHFFFAOYSA-N 1 2 334.423 4.176 20 30 EIEDLO N#CCCc1ccc(NC(=[NH2+])c2ccc(Br)cc2F)cc1 ZINC001170461375 1046737652 /nfs/dbraw/zinc/73/76/52/1046737652.db2.gz SGARIINOJRRMDV-UHFFFAOYSA-N 1 2 346.203 4.482 20 30 EIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(Br)cc3)n21 ZINC000748999953 1046822212 /nfs/dbraw/zinc/82/22/12/1046822212.db2.gz MUUHWYZZWNCVNY-KTKRTIGZSA-N 1 2 341.208 4.301 20 30 EIEDLO CC[N@H+](Cc1nccn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593764 1046876371 /nfs/dbraw/zinc/87/63/71/1046876371.db2.gz JGMMMVCGSGRZAK-SFHVURJKSA-N 1 2 344.462 4.386 20 30 EIEDLO CC[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593764 1046876373 /nfs/dbraw/zinc/87/63/73/1046876373.db2.gz JGMMMVCGSGRZAK-SFHVURJKSA-N 1 2 344.462 4.386 20 30 EIEDLO C=CCn1c(C)nn(C[N@@H+](CCC)Cc2ccc(C)cc2)c1=S ZINC000917454802 1046895238 /nfs/dbraw/zinc/89/52/38/1046895238.db2.gz MRZDJKDECFPZEO-UHFFFAOYSA-N 1 2 330.501 4.087 20 30 EIEDLO C=CCn1c(C)nn(C[N@H+](CCC)Cc2ccc(C)cc2)c1=S ZINC000917454802 1046895247 /nfs/dbraw/zinc/89/52/47/1046895247.db2.gz MRZDJKDECFPZEO-UHFFFAOYSA-N 1 2 330.501 4.087 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCC[C@@H]3CCc4ccc5c(c43)CCO5)c2)CC1 ZINC001170082559 1047120795 /nfs/dbraw/zinc/12/07/95/1047120795.db2.gz NFJGNHMHPVPSLL-INIZCTEOSA-N 1 2 345.446 4.104 20 30 EIEDLO C=CCc1cc(C[N@@H+]2Cc3cccc(Cl)c3C2)c(O)c(OC)c1 ZINC000808204324 1047633821 /nfs/dbraw/zinc/63/38/21/1047633821.db2.gz HDALPUGRYQYMTD-UHFFFAOYSA-N 1 2 329.827 4.299 20 30 EIEDLO C=CCc1cc(C[N@H+]2Cc3cccc(Cl)c3C2)c(O)c(OC)c1 ZINC000808204324 1047633833 /nfs/dbraw/zinc/63/38/33/1047633833.db2.gz HDALPUGRYQYMTD-UHFFFAOYSA-N 1 2 329.827 4.299 20 30 EIEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(Br)ccc1F ZINC000130389959 1047661425 /nfs/dbraw/zinc/66/14/25/1047661425.db2.gz VZMCBXSLJLHCCY-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(Br)ccc1F ZINC000130389959 1047661431 /nfs/dbraw/zinc/66/14/31/1047661431.db2.gz VZMCBXSLJLHCCY-UHFFFAOYSA-N 1 2 339.233 4.153 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967156 1047893871 /nfs/dbraw/zinc/89/38/71/1047893871.db2.gz XRHKQWCFSIWWEK-UHFFFAOYSA-N 1 2 348.446 4.324 20 30 EIEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967156 1047893878 /nfs/dbraw/zinc/89/38/78/1047893878.db2.gz XRHKQWCFSIWWEK-UHFFFAOYSA-N 1 2 348.446 4.324 20 30 EIEDLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1cc(F)c(N)c(F)c1 ZINC000814688524 1048131477 /nfs/dbraw/zinc/13/14/77/1048131477.db2.gz BFUVZZIVLDOLAP-UHFFFAOYSA-N 1 2 329.272 4.402 20 30 EIEDLO FC(F)(F)Oc1ccc(Cl)cc1C[NH+]1CCC(S)CC1 ZINC001143704700 1048168376 /nfs/dbraw/zinc/16/83/76/1048168376.db2.gz QLBIMSRROCMILE-UHFFFAOYSA-N 1 2 325.783 4.133 20 30 EIEDLO CC(=[NH+]Nc1ccc(OCC(F)(F)F)cc1)c1cc(N)ccc1F ZINC000814830485 1048191424 /nfs/dbraw/zinc/19/14/24/1048191424.db2.gz LYLASMWYOCZZAK-UHFFFAOYSA-N 1 2 341.308 4.185 20 30 EIEDLO CC(=[NH+]Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814912784 1048258473 /nfs/dbraw/zinc/25/84/73/1048258473.db2.gz CPFBNLXDXYMDMD-UHFFFAOYSA-N 1 2 339.182 4.320 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cn1c2ccccc2nc1SC(F)F ZINC000919944759 1048328169 /nfs/dbraw/zinc/32/81/69/1048328169.db2.gz OQFSNAMPQRBAPS-UHFFFAOYSA-N 1 2 338.427 4.180 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cn1c2ccccc2nc1SC(F)F ZINC000919944759 1048328184 /nfs/dbraw/zinc/32/81/84/1048328184.db2.gz OQFSNAMPQRBAPS-UHFFFAOYSA-N 1 2 338.427 4.180 20 30 EIEDLO Cc1cc(Br)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001144214737 1048501039 /nfs/dbraw/zinc/50/10/39/1048501039.db2.gz NWEHLBKYNJSCEV-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO Cc1cc(Br)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001144214737 1048501053 /nfs/dbraw/zinc/50/10/53/1048501053.db2.gz NWEHLBKYNJSCEV-UHFFFAOYSA-N 1 2 341.252 4.188 20 30 EIEDLO CCOc1cccc(/C=[NH+]\C[C@@H](C)COCc2ccccc2)c1O ZINC000920173717 1048570537 /nfs/dbraw/zinc/57/05/37/1048570537.db2.gz GHLXVJDPRQOUCD-RDPIHGLISA-N 1 2 327.424 4.063 20 30 EIEDLO CC(C)CC[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171189420 1048685978 /nfs/dbraw/zinc/68/59/78/1048685978.db2.gz FYLWXOFPXGQSFM-VQIMIIECSA-N 1 2 344.499 4.225 20 30 EIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1O ZINC000810250781 1048730090 /nfs/dbraw/zinc/73/00/90/1048730090.db2.gz KZOYRLOWWWTNGG-MRXNPFEDSA-N 1 2 330.815 4.167 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231002 1048870212 /nfs/dbraw/zinc/87/02/12/1048870212.db2.gz ZPVBQANRMAZJMF-MGPUTAFESA-N 1 2 340.854 4.216 20 30 EIEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231002 1048870215 /nfs/dbraw/zinc/87/02/15/1048870215.db2.gz ZPVBQANRMAZJMF-MGPUTAFESA-N 1 2 340.854 4.216 20 30 EIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705217 1049274427 /nfs/dbraw/zinc/27/44/27/1049274427.db2.gz HAOZXOXHAICCOO-UHFFFAOYSA-N 1 2 341.798 4.308 20 30 EIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705217 1049274454 /nfs/dbraw/zinc/27/44/54/1049274454.db2.gz HAOZXOXHAICCOO-UHFFFAOYSA-N 1 2 341.798 4.308 20 30 EIEDLO C=CCCCCCCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000812495975 1049495163 /nfs/dbraw/zinc/49/51/63/1049495163.db2.gz ZTYGOKMXEROSLJ-ZWKOTPCHSA-N 1 2 332.492 4.002 20 30 EIEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001171373653 1049545800 /nfs/dbraw/zinc/54/58/00/1049545800.db2.gz UUZBMFSSMOKSBB-INIZCTEOSA-N 1 2 334.423 4.064 20 30 EIEDLO C#C[C@H]([NH2+]Cc1cc(Br)ccc1OC)c1ccc(F)cc1 ZINC000812793203 1049592309 /nfs/dbraw/zinc/59/23/09/1049592309.db2.gz ONWJAPHISZPRAS-INIZCTEOSA-N 1 2 348.215 4.061 20 30 EIEDLO C#C[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000812795317 1049592777 /nfs/dbraw/zinc/59/27/77/1049592777.db2.gz QYOXQBHNEAZSIS-GOSISDBHSA-N 1 2 326.371 4.321 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)c(F)c1 ZINC000237712250 1049717945 /nfs/dbraw/zinc/71/79/45/1049717945.db2.gz IOZWQWSOXNREST-UHFFFAOYSA-N 1 2 329.425 4.172 20 30 EIEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C#N)CCCC2)C[C@@H]1C(C)(C)C ZINC001171592257 1049752269 /nfs/dbraw/zinc/75/22/69/1049752269.db2.gz ZWOQDCCBJPKAIM-JKSUJKDBSA-N 1 2 349.519 4.227 20 30 EIEDLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)ccc21 ZINC001171641280 1049779379 /nfs/dbraw/zinc/77/93/79/1049779379.db2.gz JDPGSEJSITYHDT-HUUCEWRRSA-N 1 2 348.450 4.033 20 30 EIEDLO Fc1cc(C(F)(F)F)cnc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001248787246 1049830830 /nfs/dbraw/zinc/83/08/30/1049830830.db2.gz UQDDJHGLHNQWOO-UHFFFAOYSA-N 1 2 330.247 4.014 20 30 EIEDLO CCCCCCCC[C@H](CC)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001172505226 1049923998 /nfs/dbraw/zinc/92/39/98/1049923998.db2.gz KHHGIXGGSJYQFP-ROUUACIJSA-N 1 2 337.508 4.018 20 30 EIEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c(F)c1 ZINC000617789705 1050106433 /nfs/dbraw/zinc/10/64/33/1050106433.db2.gz KWUYRJAOAJZKLZ-UHFFFAOYSA-N 1 2 327.161 4.433 20 30 EIEDLO N#CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCCC1 ZINC001172900398 1050205690 /nfs/dbraw/zinc/20/56/90/1050205690.db2.gz SUWYDMBSHAINRY-QGZVFWFLSA-N 1 2 327.428 4.048 20 30 EIEDLO Cc1oncc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000181752247 1050321655 /nfs/dbraw/zinc/32/16/55/1050321655.db2.gz MEINFFKUYTVXNQ-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO Cc1oncc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000181752247 1050321666 /nfs/dbraw/zinc/32/16/66/1050321666.db2.gz MEINFFKUYTVXNQ-UHFFFAOYSA-N 1 2 335.382 4.196 20 30 EIEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001173538615 1050472965 /nfs/dbraw/zinc/47/29/65/1050472965.db2.gz HTKOAQWFIRNBRJ-ABAIWWIYSA-N 1 2 330.255 4.022 20 30 EIEDLO C=CCn1ncc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC001179696221 1050752647 /nfs/dbraw/zinc/75/26/47/1050752647.db2.gz QZDXIYDAIBLUQI-UHFFFAOYSA-N 1 2 329.407 4.020 20 30 EIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(-c2cccc(F)c2)nc1C ZINC001180030738 1050859668 /nfs/dbraw/zinc/85/96/68/1050859668.db2.gz OKBAHPHIYCKNLT-UHFFFAOYSA-N 1 2 342.462 4.472 20 30 EIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(-c2cccc(F)c2)nc1C ZINC001180030738 1050859674 /nfs/dbraw/zinc/85/96/74/1050859674.db2.gz OKBAHPHIYCKNLT-UHFFFAOYSA-N 1 2 342.462 4.472 20 30 EIEDLO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001189246902 1050937265 /nfs/dbraw/zinc/93/72/65/1050937265.db2.gz HQCOTPIDHZDSFA-UHFFFAOYSA-N 1 2 334.423 4.424 20 30 EIEDLO CC(C)n1c[nH+]c2cc(Nc3cccc(C#CC(C)(C)O)c3)ccc21 ZINC001174385352 1050949144 /nfs/dbraw/zinc/94/91/44/1050949144.db2.gz OFDNLMUTAVZJII-UHFFFAOYSA-N 1 2 333.435 4.483 20 30 EIEDLO N#Cc1cc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c(Cl)c1 ZINC001174523586 1051057115 /nfs/dbraw/zinc/05/71/15/1051057115.db2.gz PTGFZNFYNLMSDE-UHFFFAOYSA-N 1 2 330.794 4.480 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154333 1051096388 /nfs/dbraw/zinc/09/63/88/1051096388.db2.gz SUUKAWPUJRVMFU-VXKWHMMOSA-N 1 2 342.446 4.144 20 30 EIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000076154333 1051096390 /nfs/dbraw/zinc/09/63/90/1051096390.db2.gz SUUKAWPUJRVMFU-VXKWHMMOSA-N 1 2 342.446 4.144 20 30 EIEDLO CCCCCCC[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181122931 1051160604 /nfs/dbraw/zinc/16/06/04/1051160604.db2.gz ZCXAJECYMNXUNB-IAGOWNOFSA-N 1 2 344.490 4.315 20 30 EIEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000775399658 1051220560 /nfs/dbraw/zinc/22/05/60/1051220560.db2.gz FTIMGUKLNPPJPV-QGZVFWFLSA-N 1 2 337.810 4.244 20 30 EIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncccc1Br ZINC001190699865 1051248288 /nfs/dbraw/zinc/24/82/88/1051248288.db2.gz PFBCSOARGHANCO-UHFFFAOYSA-N 1 2 331.257 4.075 20 30 EIEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncccc1Br ZINC001190699865 1051248298 /nfs/dbraw/zinc/24/82/98/1051248298.db2.gz PFBCSOARGHANCO-UHFFFAOYSA-N 1 2 331.257 4.075 20 30 EIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cscc1Br)C2 ZINC001175062911 1051314478 /nfs/dbraw/zinc/31/44/78/1051314478.db2.gz VVFYUMGZAZZOGW-UHFFFAOYSA-N 1 2 347.281 4.135 20 30 EIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cscc1Br)C2 ZINC001175062911 1051314486 /nfs/dbraw/zinc/31/44/86/1051314486.db2.gz VVFYUMGZAZZOGW-UHFFFAOYSA-N 1 2 347.281 4.135 20 30 EIEDLO C=CCCOCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000155629302 1051440182 /nfs/dbraw/zinc/44/01/82/1051440182.db2.gz VIYXESUCDGDRGI-IBGZPJMESA-N 1 2 349.434 4.008 20 30 EIEDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001191773012 1051531732 /nfs/dbraw/zinc/53/17/32/1051531732.db2.gz IFAGJELSUSIIMG-UZLBHIALSA-N 1 2 339.870 4.283 20 30 EIEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cc(C(F)(F)F)c1 ZINC001175349690 1051541780 /nfs/dbraw/zinc/54/17/80/1051541780.db2.gz CQKABGVTWICPQI-UHFFFAOYSA-N 1 2 332.329 4.316 20 30 EIEDLO Brc1ccccc1N[NH+]=C1CCCNc2ccccc21 ZINC000774368089 1051565072 /nfs/dbraw/zinc/56/50/72/1051565072.db2.gz BQEQOZJJEKNOBK-UHFFFAOYSA-N 1 2 330.229 4.471 20 30 EIEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC001175714845 1051734636 /nfs/dbraw/zinc/73/46/36/1051734636.db2.gz WJXINFYQZRHLCA-UHFFFAOYSA-N 1 2 346.234 4.317 20 30 EIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001192949432 1051834909 /nfs/dbraw/zinc/83/49/09/1051834909.db2.gz ATEVPHRSTZHUDR-INIZCTEOSA-N 1 2 334.508 4.231 20 30 EIEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184495468 1052022422 /nfs/dbraw/zinc/02/24/22/1052022422.db2.gz HCPKWOIRFGHHNX-LBPRGKRZSA-N 1 2 329.469 4.172 20 30 EIEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001194020212 1052050931 /nfs/dbraw/zinc/05/09/31/1052050931.db2.gz ZZHOUIWNXCTMLQ-UHFFFAOYSA-N 1 2 347.434 4.267 20 30 EIEDLO N#Cc1cnc2c(Cl)cccc2c1NCCc1cn2ccccc2[nH+]1 ZINC001184720031 1052085266 /nfs/dbraw/zinc/08/52/66/1052085266.db2.gz MFOQFJRGVLUWMI-UHFFFAOYSA-N 1 2 347.809 4.062 20 30 EIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(OCc2ccccc2F)nc1 ZINC000775603047 1052131538 /nfs/dbraw/zinc/13/15/38/1052131538.db2.gz DAPMXHWJBGDRJR-UHFFFAOYSA-N 1 2 341.430 4.171 20 30 EIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2F)nc1 ZINC000775603047 1052131542 /nfs/dbraw/zinc/13/15/42/1052131542.db2.gz DAPMXHWJBGDRJR-UHFFFAOYSA-N 1 2 341.430 4.171 20 30 EIEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1N1CCCCC1 ZINC001184967961 1052135416 /nfs/dbraw/zinc/13/54/16/1052135416.db2.gz HKFGJYKARFKZCY-UHFFFAOYSA-N 1 2 347.466 4.287 20 30 EIEDLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001194457987 1052147937 /nfs/dbraw/zinc/14/79/37/1052147937.db2.gz QJVCGRBIZAJKIQ-NSHDSACASA-N 1 2 342.805 4.420 20 30 EIEDLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001194457987 1052147949 /nfs/dbraw/zinc/14/79/49/1052147949.db2.gz QJVCGRBIZAJKIQ-NSHDSACASA-N 1 2 342.805 4.420 20 30 EIEDLO C=CC[NH+](CC=C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000580542429 1052619381 /nfs/dbraw/zinc/61/93/81/1052619381.db2.gz HNUZYZXERBUEPO-HXUWFJFHSA-N 1 2 336.435 4.049 20 30 EIEDLO C=CC[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc(C#N)c1 ZINC000179856362 1052761659 /nfs/dbraw/zinc/76/16/59/1052761659.db2.gz VRTRWWZAQKTDSK-UHFFFAOYSA-N 1 2 348.475 4.333 20 30 EIEDLO C=CC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc(C#N)c1 ZINC000179856362 1052761666 /nfs/dbraw/zinc/76/16/66/1052761666.db2.gz VRTRWWZAQKTDSK-UHFFFAOYSA-N 1 2 348.475 4.333 20 30 EIEDLO CCCCCCCCOC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001194737653 1053076626 /nfs/dbraw/zinc/07/66/26/1053076626.db2.gz MAGQVAWPZPCEBB-UHFFFAOYSA-N 1 2 347.503 4.426 20 30 EIEDLO CCSc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794704054 1053336587 /nfs/dbraw/zinc/33/65/87/1053336587.db2.gz WSABTHQLDUTWNL-KTKRTIGZSA-N 1 2 332.494 4.213 20 30 EIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)s1 ZINC000794703670 1053336612 /nfs/dbraw/zinc/33/66/12/1053336612.db2.gz WRACFWMWRISPGS-VOTSOKGWSA-N 1 2 349.459 4.163 20 30 EIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)c1O ZINC000775665332 1053431126 /nfs/dbraw/zinc/43/11/26/1053431126.db2.gz MPIGSNSRUKINCS-UHFFFAOYSA-N 1 2 332.787 4.142 20 30 EIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)c1O ZINC000775665332 1053431135 /nfs/dbraw/zinc/43/11/35/1053431135.db2.gz MPIGSNSRUKINCS-UHFFFAOYSA-N 1 2 332.787 4.142 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000765075512 1053432647 /nfs/dbraw/zinc/43/26/47/1053432647.db2.gz GKULWHQJDCMJJM-MRXNPFEDSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000765075512 1053432652 /nfs/dbraw/zinc/43/26/52/1053432652.db2.gz GKULWHQJDCMJJM-MRXNPFEDSA-N 1 2 342.512 4.265 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765063413 1053433657 /nfs/dbraw/zinc/43/36/57/1053433657.db2.gz ZMYURMDHEREQQO-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000765063413 1053433668 /nfs/dbraw/zinc/43/36/68/1053433668.db2.gz ZMYURMDHEREQQO-CVEARBPZSA-N 1 2 342.512 4.263 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000110982300 1053621112 /nfs/dbraw/zinc/62/11/12/1053621112.db2.gz YJVLVDQTTCJDCG-PLDFPGSMSA-N 1 2 349.478 4.032 20 30 EIEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000110982300 1053621119 /nfs/dbraw/zinc/62/11/19/1053621119.db2.gz YJVLVDQTTCJDCG-PLDFPGSMSA-N 1 2 349.478 4.032 20 30 EIEDLO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866242519 1053663065 /nfs/dbraw/zinc/66/30/65/1053663065.db2.gz MKJDRMBBUAXMLS-RRMPHLOHSA-N 1 2 336.435 4.082 20 30 EIEDLO C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cccc(C#N)c1O ZINC000866397160 1053715581 /nfs/dbraw/zinc/71/55/81/1053715581.db2.gz DLUGIPOYKZREQK-LBPRGKRZSA-N 1 2 334.341 4.219 20 30 EIEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC001137808200 1053777380 /nfs/dbraw/zinc/77/73/80/1053777380.db2.gz CGMXHISPKVDPAO-UHFFFAOYSA-N 1 2 329.241 4.261 20 30 EIEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC001137808200 1053777398 /nfs/dbraw/zinc/77/73/98/1053777398.db2.gz CGMXHISPKVDPAO-UHFFFAOYSA-N 1 2 329.241 4.261 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2ccc3c(c2)CCC[N@H+]3C)cc1 ZINC000123338188 1054135446 /nfs/dbraw/zinc/13/54/46/1054135446.db2.gz DPEAISHFNLKOOU-UHFFFAOYSA-N 1 2 334.467 4.031 20 30 EIEDLO CN(CCC#N)c1ccc(CNc2ccc3c(c2)CCC[N@@H+]3C)cc1 ZINC000123338188 1054135455 /nfs/dbraw/zinc/13/54/55/1054135455.db2.gz DPEAISHFNLKOOU-UHFFFAOYSA-N 1 2 334.467 4.031 20 30 EIEDLO C[N@@H+]1CCCc2cc(NCc3cccc(OCCCC#N)c3)ccc21 ZINC000123365374 1054139326 /nfs/dbraw/zinc/13/93/26/1054139326.db2.gz AWISYUBHWRTRKB-UHFFFAOYSA-N 1 2 335.451 4.364 20 30 EIEDLO C[N@H+]1CCCc2cc(NCc3cccc(OCCCC#N)c3)ccc21 ZINC000123365374 1054139339 /nfs/dbraw/zinc/13/93/39/1054139339.db2.gz AWISYUBHWRTRKB-UHFFFAOYSA-N 1 2 335.451 4.364 20 30 EIEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC001199403172 1054406227 /nfs/dbraw/zinc/40/62/27/1054406227.db2.gz JUMSFSBLCPWCAR-UKRRQHHQSA-N 1 2 329.827 4.358 20 30 EIEDLO N#CCOc1ccc(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000859767425 1054726787 /nfs/dbraw/zinc/72/67/87/1054726787.db2.gz UDCVFMGRUBQWHH-UHFFFAOYSA-N 1 2 346.352 4.166 20 30 EIEDLO N#CCOc1ccc(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000859767425 1054726800 /nfs/dbraw/zinc/72/68/00/1054726800.db2.gz UDCVFMGRUBQWHH-UHFFFAOYSA-N 1 2 346.352 4.166 20 30 EIEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776184995 1054791356 /nfs/dbraw/zinc/79/13/56/1054791356.db2.gz CKQRGBWTFHEZLX-OAHLLOKOSA-N 1 2 330.815 4.016 20 30 EIEDLO Cc1c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccnc1F ZINC000862231244 1055031655 /nfs/dbraw/zinc/03/16/55/1055031655.db2.gz RXXVGKPRMRXIJL-GHMZBOCLSA-N 1 2 344.274 4.092 20 30 EIEDLO CCC[N@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCc2cccnc21 ZINC000877412729 1055048815 /nfs/dbraw/zinc/04/88/15/1055048815.db2.gz WXSDTWUZRGNJLI-KRWDZBQOSA-N 1 2 340.858 4.291 20 30 EIEDLO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCc2cccnc21 ZINC000877412729 1055048832 /nfs/dbraw/zinc/04/88/32/1055048832.db2.gz WXSDTWUZRGNJLI-KRWDZBQOSA-N 1 2 340.858 4.291 20 30 EIEDLO C=CCCC[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000878557577 1055342216 /nfs/dbraw/zinc/34/22/16/1055342216.db2.gz WTMOYKZRQRZGBL-FQEVSTJZSA-N 1 2 337.467 4.187 20 30 EIEDLO FC(F)(F)c1coc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000878804292 1055398083 /nfs/dbraw/zinc/39/80/83/1055398083.db2.gz TUEDHXSIIWMGDB-UHFFFAOYSA-N 1 2 331.231 4.165 20 30 EIEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)[nH+]c1C ZINC000921653502 1055493144 /nfs/dbraw/zinc/49/31/44/1055493144.db2.gz CGNOANFIPHMKQI-FQEVSTJZSA-N 1 2 334.423 4.106 20 30 EIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Br)s3)c[nH+]c12 ZINC000741463804 1058220142 /nfs/dbraw/zinc/22/01/42/1058220142.db2.gz IMSYCKYURUQKIQ-PLNGDYQASA-N 1 2 347.237 4.363 20 30 EIEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1F ZINC000737444163 1058351932 /nfs/dbraw/zinc/35/19/32/1058351932.db2.gz OEPPKSXPJRKUIE-PLNGDYQASA-N 1 2 330.746 4.032 20 30 EIEDLO CCCCCCCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000742858453 1058806937 /nfs/dbraw/zinc/80/69/37/1058806937.db2.gz LIZNDSZPZFMHFD-SFHVURJKSA-N 1 2 327.472 4.181 20 30 EIEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1O ZINC000743045641 1058850196 /nfs/dbraw/zinc/85/01/96/1058850196.db2.gz RTGFLABQRMPUGF-ACLPCSDFSA-N 1 2 339.435 4.296 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@](C)(CCC)C2)c1=S ZINC000743404136 1058982354 /nfs/dbraw/zinc/98/23/54/1058982354.db2.gz KKGXPTNNDHXNLR-GOSISDBHSA-N 1 2 334.533 4.337 20 30 EIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@](C)(CCC)C2)c1=S ZINC000743404136 1058982373 /nfs/dbraw/zinc/98/23/73/1058982373.db2.gz KKGXPTNNDHXNLR-GOSISDBHSA-N 1 2 334.533 4.337 20 30 EIEDLO CC[C@](C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1nccs1 ZINC000744404086 1059469344 /nfs/dbraw/zinc/46/93/44/1059469344.db2.gz GMYASNZYXKWWTN-INIZCTEOSA-N 1 2 335.860 4.114 20 30 EIEDLO N#CC1(c2cc[nH+]c(NCCOc3cccc4ccccc43)c2)CC1 ZINC001169014745 1060583147 /nfs/dbraw/zinc/58/31/47/1060583147.db2.gz ZCNVAVDZXROLKG-UHFFFAOYSA-N 1 2 329.403 4.281 20 30 EIEDLO C#CCCCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000767091918 1061109428 /nfs/dbraw/zinc/10/94/28/1061109428.db2.gz LMYVOAIWROYNLM-UHFFFAOYSA-N 1 2 335.451 4.409 20 30 EIEDLO