smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc[nH+]c1CSCCc1ccc2c(c1)CCO2 ZINC000175301075 529581845 /nfs/dbraw/zinc/58/18/45/529581845.db2.gz KCLLQAUIHONQKJ-UHFFFAOYSA-N 1 2 288.416 3.314 10 0 CGAELO CNc1cc[nH+]c2c(Br)cc(F)cc12 ZINC000050844333 345085504 /nfs/dbraw/zinc/08/55/04/345085504.db2.gz KVQHBAXPUYJYGR-UHFFFAOYSA-N 1 2 255.090 3.178 10 0 CGAELO COc1ccc2[nH+]c(NC[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000156864479 346160217 /nfs/dbraw/zinc/16/02/17/346160217.db2.gz OHHAZVCFZZVFLY-BBRMVZONSA-N 1 2 286.375 3.206 10 0 CGAELO Cc1cc(Cl)nc2c1C[N@H+](C)C[C@H](CC(F)(F)F)O2 ZINC000167215190 346188093 /nfs/dbraw/zinc/18/80/93/346188093.db2.gz RFBJCCBSMKCHKE-QMMMGPOBSA-N 1 2 294.704 3.189 10 0 CGAELO Cc1cc(Cl)nc2c1C[N@@H+](C)C[C@H](CC(F)(F)F)O2 ZINC000167215190 346188095 /nfs/dbraw/zinc/18/80/95/346188095.db2.gz RFBJCCBSMKCHKE-QMMMGPOBSA-N 1 2 294.704 3.189 10 0 CGAELO CC[C@@H]1C[C@@H]1Nc1[nH+]ccc(C)c1Br ZINC000233921350 346330812 /nfs/dbraw/zinc/33/08/12/346330812.db2.gz IOWOBGCVZIAZMZ-BDAKNGLRSA-N 1 2 255.159 3.363 10 0 CGAELO C[C@H]1CCc2c1[nH+]c1ccc(Br)cn12 ZINC000228007904 346312397 /nfs/dbraw/zinc/31/23/97/346312397.db2.gz QQNSRNYXBBCBPF-ZETCQYMHSA-N 1 2 251.127 3.147 10 0 CGAELO CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000232221572 346325480 /nfs/dbraw/zinc/32/54/80/346325480.db2.gz NKVJKBCUUJMYPW-UHFFFAOYSA-N 1 2 255.090 3.178 10 0 CGAELO Cc1cc([NH2+]C2CCC2)c(Br)cc1N ZINC000235853304 346337528 /nfs/dbraw/zinc/33/75/28/346337528.db2.gz NGOMENFHAQYZKS-UHFFFAOYSA-N 1 2 255.159 3.304 10 0 CGAELO CC1(C)CCC([N@@H+]2C[C@@H](CO)O[C@@H]2c2ccccc2)CC1 ZINC000584638489 346701340 /nfs/dbraw/zinc/70/13/40/346701340.db2.gz FEZUFCCYYCDGGQ-DLBZAZTESA-N 1 2 289.419 3.347 10 0 CGAELO CC1(C)CCC([N@H+]2C[C@@H](CO)O[C@@H]2c2ccccc2)CC1 ZINC000584638489 346701343 /nfs/dbraw/zinc/70/13/43/346701343.db2.gz FEZUFCCYYCDGGQ-DLBZAZTESA-N 1 2 289.419 3.347 10 0 CGAELO CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616631015 348852842 /nfs/dbraw/zinc/85/28/42/348852842.db2.gz OMJBAZHNXANLPM-GFCCVEGCSA-N 1 2 291.395 3.168 10 0 CGAELO CSC[C@H](C)N(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000123165061 187074766 /nfs/dbraw/zinc/07/47/66/187074766.db2.gz QQQNSEALOYJPHJ-LBPRGKRZSA-N 1 2 288.420 3.035 10 0 CGAELO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000122450305 187032958 /nfs/dbraw/zinc/03/29/58/187032958.db2.gz UHHLFHDOZGZYKO-MNOVXSKESA-N 1 2 275.327 3.036 10 0 CGAELO COC(=O)c1ccc(F)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000123863680 187112331 /nfs/dbraw/zinc/11/23/31/187112331.db2.gz MLZDYLMZSGWBOR-UHFFFAOYSA-N 1 2 291.326 3.002 10 0 CGAELO Cc1[nH+]cccc1N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000091495956 138344245 /nfs/dbraw/zinc/34/42/45/138344245.db2.gz UFPSUOFEQKCPHZ-LLVKDONJSA-N 1 2 270.332 3.334 10 0 CGAELO Clc1ccccc1CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121705634 138367682 /nfs/dbraw/zinc/36/76/82/138367682.db2.gz LRBQEFOUQCFXNA-AWEZNQCLSA-N 1 2 290.798 3.228 10 0 CGAELO Clc1ccccc1CC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121705634 138367683 /nfs/dbraw/zinc/36/76/83/138367683.db2.gz LRBQEFOUQCFXNA-AWEZNQCLSA-N 1 2 290.798 3.228 10 0 CGAELO Cc1ccc([S@](=O)Cc2[nH+]ccn2C(C)C)cc1C ZINC000177073805 189026627 /nfs/dbraw/zinc/02/66/27/189026627.db2.gz DAAABUIPCMMUHL-LJQANCHMSA-N 1 2 276.405 3.389 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1cccc(Cl)c1 ZINC000177102149 189028739 /nfs/dbraw/zinc/02/87/39/189028739.db2.gz SQMJDLZRVVLHTO-GOSISDBHSA-N 1 2 282.796 3.425 10 0 CGAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1C ZINC000181637578 189303558 /nfs/dbraw/zinc/30/35/58/189303558.db2.gz FBWASNPWQDOWNS-SNVBAGLBSA-N 1 2 294.349 3.068 10 0 CGAELO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275443189 193039129 /nfs/dbraw/zinc/03/91/29/193039129.db2.gz GAOZFQLSTYCOHQ-KRWDZBQOSA-N 1 2 296.418 3.329 10 0 CGAELO Cc1cccnc1C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275443189 193039132 /nfs/dbraw/zinc/03/91/32/193039132.db2.gz GAOZFQLSTYCOHQ-KRWDZBQOSA-N 1 2 296.418 3.329 10 0 CGAELO c1ccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000275683082 193104019 /nfs/dbraw/zinc/10/40/19/193104019.db2.gz WKKXBLAVFWMJGY-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO c1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc1 ZINC000275683082 193104021 /nfs/dbraw/zinc/10/40/21/193104021.db2.gz WKKXBLAVFWMJGY-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO c1ccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc1 ZINC000275683082 193104023 /nfs/dbraw/zinc/10/40/23/193104023.db2.gz WKKXBLAVFWMJGY-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CCC(=O)CC1 ZINC000070452018 369799061 /nfs/dbraw/zinc/79/90/61/369799061.db2.gz SRQICPOJDZJHIU-UHFFFAOYSA-N 1 2 295.386 3.184 10 0 CGAELO Fc1cccc(F)c1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093438486 370129385 /nfs/dbraw/zinc/12/93/85/370129385.db2.gz NTDTZVPXMYHJGB-HNNXBMFYSA-N 1 2 277.318 3.415 10 0 CGAELO Fc1cccc(F)c1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093438486 370129388 /nfs/dbraw/zinc/12/93/88/370129388.db2.gz NTDTZVPXMYHJGB-HNNXBMFYSA-N 1 2 277.318 3.415 10 0 CGAELO C[C@@H]([NH2+]Cc1ccno1)c1ccccc1Br ZINC000219363369 376200244 /nfs/dbraw/zinc/20/02/44/376200244.db2.gz XSQHLAKLTIZMSY-SECBINFHSA-N 1 2 281.153 3.288 10 0 CGAELO COC[C@@H](C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112183290 370412748 /nfs/dbraw/zinc/41/27/48/370412748.db2.gz PNPYGFJYURNMFD-GFCCVEGCSA-N 1 2 286.331 3.095 10 0 CGAELO c1csc(C2=CC[N@H+](Cc3cn4cccnc4n3)CC2)c1 ZINC000117896161 370602894 /nfs/dbraw/zinc/60/28/94/370602894.db2.gz VRWIEWSLBNCECM-UHFFFAOYSA-N 1 2 296.399 3.080 10 0 CGAELO c1csc(C2=CC[N@@H+](Cc3cn4cccnc4n3)CC2)c1 ZINC000117896161 370602895 /nfs/dbraw/zinc/60/28/95/370602895.db2.gz VRWIEWSLBNCECM-UHFFFAOYSA-N 1 2 296.399 3.080 10 0 CGAELO NC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895314 370602911 /nfs/dbraw/zinc/60/29/11/370602911.db2.gz JSBFCOSDUQAIMB-INIZCTEOSA-N 1 2 298.411 3.064 10 0 CGAELO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895314 370602914 /nfs/dbraw/zinc/60/29/14/370602914.db2.gz JSBFCOSDUQAIMB-INIZCTEOSA-N 1 2 298.411 3.064 10 0 CGAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2F)cn1 ZINC000131956512 371142195 /nfs/dbraw/zinc/14/21/95/371142195.db2.gz IAHZGFNYGXRDGR-OAHLLOKOSA-N 1 2 295.308 3.175 10 0 CGAELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2F)cn1 ZINC000131956512 371142201 /nfs/dbraw/zinc/14/22/01/371142201.db2.gz IAHZGFNYGXRDGR-OAHLLOKOSA-N 1 2 295.308 3.175 10 0 CGAELO O[C@H]1CCCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000135807899 371450208 /nfs/dbraw/zinc/45/02/08/371450208.db2.gz IVFLGZQCGGRADT-GJZGRUSLSA-N 1 2 256.349 3.340 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(CC)[nH]2)o1 ZINC000158660389 372078955 /nfs/dbraw/zinc/07/89/55/372078955.db2.gz FSCLHXQIQUSJDB-ZDUSSCGKSA-N 1 2 288.395 3.250 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(CC)[nH]2)o1 ZINC000158660389 372078962 /nfs/dbraw/zinc/07/89/62/372078962.db2.gz FSCLHXQIQUSJDB-ZDUSSCGKSA-N 1 2 288.395 3.250 10 0 CGAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cnc2ccsc2c1 ZINC000164767534 372532482 /nfs/dbraw/zinc/53/24/82/372532482.db2.gz JHDZYKUSJCQTFK-GXFFZTMASA-N 1 2 299.403 3.074 10 0 CGAELO CCc1noc([C@H](C)[NH2+][C@@H](C)c2cccs2)n1 ZINC000172183168 372920995 /nfs/dbraw/zinc/92/09/95/372920995.db2.gz HQHJXHXTBLKYIA-IUCAKERBSA-N 1 2 251.355 3.105 10 0 CGAELO C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949897 373223394 /nfs/dbraw/zinc/22/33/94/373223394.db2.gz NWUNDSAIXTUMOL-GJZGRUSLSA-N 1 2 295.386 3.406 10 0 CGAELO CCC1CCC(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000176085696 373553006 /nfs/dbraw/zinc/55/30/06/373553006.db2.gz JAOKXVHCBKIXCY-YMAMQOFZSA-N 1 2 289.423 3.093 10 0 CGAELO Cc1cccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)c1Cl ZINC000176530138 373608548 /nfs/dbraw/zinc/60/85/48/373608548.db2.gz DYWAROWSLCJHCS-LLVKDONJSA-N 1 2 289.766 3.361 10 0 CGAELO CC1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000301188532 373685850 /nfs/dbraw/zinc/68/58/50/373685850.db2.gz UREKISMLKVPEPG-UHFFFAOYSA-N 1 2 260.385 3.067 10 0 CGAELO CC1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000301188532 373685860 /nfs/dbraw/zinc/68/58/60/373685860.db2.gz UREKISMLKVPEPG-UHFFFAOYSA-N 1 2 260.385 3.067 10 0 CGAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccoc2)c2ccccc2)[nH]1 ZINC000178548203 373790492 /nfs/dbraw/zinc/79/04/92/373790492.db2.gz CKGJJCRFNQNCSK-IAQYHMDHSA-N 1 2 282.347 3.146 10 0 CGAELO C[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1ccncc1 ZINC000179962560 373947544 /nfs/dbraw/zinc/94/75/44/373947544.db2.gz LYONHSDPIFVXJB-SNVBAGLBSA-N 1 2 286.360 3.044 10 0 CGAELO CCC[C@@]1(COC)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000302835629 373981295 /nfs/dbraw/zinc/98/12/95/373981295.db2.gz VSTDEMSPQXHTEY-INIZCTEOSA-N 1 2 275.396 3.140 10 0 CGAELO ClC(Cl)(Cl)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000184452375 374524921 /nfs/dbraw/zinc/52/49/21/374524921.db2.gz YTVNNLLOEFYGCL-ZJUUUORDSA-N 1 2 286.630 3.390 10 0 CGAELO ClC(Cl)(Cl)CC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000184452375 374524929 /nfs/dbraw/zinc/52/49/29/374524929.db2.gz YTVNNLLOEFYGCL-ZJUUUORDSA-N 1 2 286.630 3.390 10 0 CGAELO Cc1csc([C@@H]2C[N@H+](Cc3ccccc3F)CCO2)n1 ZINC000195395125 376102166 /nfs/dbraw/zinc/10/21/66/376102166.db2.gz BPMHTROHTIGUKH-AWEZNQCLSA-N 1 2 292.379 3.164 10 0 CGAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccccc3F)CCO2)n1 ZINC000195395125 376102176 /nfs/dbraw/zinc/10/21/76/376102176.db2.gz BPMHTROHTIGUKH-AWEZNQCLSA-N 1 2 292.379 3.164 10 0 CGAELO CCNc1nnc(SCc2[nH+]ccn2C(C)C)s1 ZINC000195517236 376109557 /nfs/dbraw/zinc/10/95/57/376109557.db2.gz DPHOLBAHSLVOMC-UHFFFAOYSA-N 1 2 283.426 3.040 10 0 CGAELO CCn1cc[nH+]c1CSc1nncc2ccccc21 ZINC000195517387 376110265 /nfs/dbraw/zinc/11/02/65/376110265.db2.gz ANZDXNULGWRKRV-UHFFFAOYSA-N 1 2 270.361 3.139 10 0 CGAELO Cc1cnc([C@@H](C)NCc2cn3cc(Cl)ccc3[nH+]2)o1 ZINC000230642493 376522986 /nfs/dbraw/zinc/52/29/86/376522986.db2.gz VLAUOLVNIYWDEX-SNVBAGLBSA-N 1 2 290.754 3.135 10 0 CGAELO Cc1cccnc1C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245535170 376845719 /nfs/dbraw/zinc/84/57/19/376845719.db2.gz KIJZERRHDMZXKJ-YJBOKZPZSA-N 1 2 282.387 3.352 10 0 CGAELO Cc1cccnc1C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000245535170 376845724 /nfs/dbraw/zinc/84/57/24/376845724.db2.gz KIJZERRHDMZXKJ-YJBOKZPZSA-N 1 2 282.387 3.352 10 0 CGAELO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246132991 376974395 /nfs/dbraw/zinc/97/43/95/376974395.db2.gz MUDYUDHBJNLSCO-VHSXEESVSA-N 1 2 295.433 3.296 10 0 CGAELO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000246132991 376974402 /nfs/dbraw/zinc/97/44/02/376974402.db2.gz MUDYUDHBJNLSCO-VHSXEESVSA-N 1 2 295.433 3.296 10 0 CGAELO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccn1 ZINC000246058518 376957807 /nfs/dbraw/zinc/95/78/07/376957807.db2.gz YOOLTUOBYMWPCF-ZIAGYGMSSA-N 1 2 297.406 3.281 10 0 CGAELO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccn1 ZINC000246058518 376957815 /nfs/dbraw/zinc/95/78/15/376957815.db2.gz YOOLTUOBYMWPCF-ZIAGYGMSSA-N 1 2 297.406 3.281 10 0 CGAELO Cc1cc([NH+](C)C)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251042855 377572587 /nfs/dbraw/zinc/57/25/87/377572587.db2.gz MQQLMSBKOOORAC-NUEKZKHPSA-N 1 2 274.408 3.286 10 0 CGAELO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251042855 377572594 /nfs/dbraw/zinc/57/25/94/377572594.db2.gz MQQLMSBKOOORAC-NUEKZKHPSA-N 1 2 274.408 3.286 10 0 CGAELO CCc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000179964586 542204516 /nfs/dbraw/zinc/20/45/16/542204516.db2.gz GGIDTDQXMUXFMV-AWEZNQCLSA-N 1 2 290.436 3.166 10 0 CGAELO CCc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000179964586 542204518 /nfs/dbraw/zinc/20/45/18/542204518.db2.gz GGIDTDQXMUXFMV-AWEZNQCLSA-N 1 2 290.436 3.166 10 0 CGAELO C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc21 ZINC000193670225 542272298 /nfs/dbraw/zinc/27/22/98/542272298.db2.gz HKEOYJOLLSWPPX-LRDDRELGSA-N 1 2 283.375 3.097 10 0 CGAELO C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc21 ZINC000193670225 542272303 /nfs/dbraw/zinc/27/23/03/542272303.db2.gz HKEOYJOLLSWPPX-LRDDRELGSA-N 1 2 283.375 3.097 10 0 CGAELO FC1(F)C[NH2+]CC[C@H]1c1nc(C2CCCCCC2)no1 ZINC000334871915 207222626 /nfs/dbraw/zinc/22/26/26/207222626.db2.gz JMQAAENPCHASRL-NSHDSACASA-N 1 2 285.338 3.220 10 0 CGAELO CCC1CCC(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000333891229 542453541 /nfs/dbraw/zinc/45/35/41/542453541.db2.gz YTFRITPCEYWNGN-BLYZHGLHSA-N 1 2 290.411 3.157 10 0 CGAELO CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177808295 392669231 /nfs/dbraw/zinc/66/92/31/392669231.db2.gz KHRZZKGYVYUJBR-HZPDHXFCSA-N 1 2 291.439 3.481 10 0 CGAELO CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175116206 392648698 /nfs/dbraw/zinc/64/86/98/392648698.db2.gz FGSBWWUJWGIQDF-KFWWJZLASA-N 1 2 289.423 3.236 10 0 CGAELO C[C@@H]1C[NH2+][C@H](c2cscc2Br)S1 ZINC000307232352 392649115 /nfs/dbraw/zinc/64/91/15/392649115.db2.gz CTLUBFWUJXLHIE-XRGYYRRGSA-N 1 2 264.213 3.234 10 0 CGAELO Cc1cc2ccccc2[nH+]c1N[C@H]1CCC[C@H](O)C1 ZINC000676077780 543381588 /nfs/dbraw/zinc/38/15/88/543381588.db2.gz NCRLCOZMGHMZPH-KBPBESRZSA-N 1 2 256.349 3.259 10 0 CGAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nnc(C2CC2)o1 ZINC000678727702 543550445 /nfs/dbraw/zinc/55/04/45/543550445.db2.gz LMUWUSNONUVOPM-NSHDSACASA-N 1 2 257.337 3.106 10 0 CGAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(C(F)(F)F)c1 ZINC000077369138 297149088 /nfs/dbraw/zinc/14/90/88/297149088.db2.gz PCIAQUXIEBGQBO-GHMZBOCLSA-N 1 2 273.298 3.315 10 0 CGAELO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1nccs1 ZINC000080266966 287070498 /nfs/dbraw/zinc/07/04/98/287070498.db2.gz OPFZYNRAYDLDKU-PWSUYJOCSA-N 1 2 260.362 3.318 10 0 CGAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(Br)c1 ZINC000077657744 165123050 /nfs/dbraw/zinc/12/30/50/165123050.db2.gz WZMDEWPCKOAMGN-QWRGUYRKSA-N 1 2 284.197 3.058 10 0 CGAELO Cc1ccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)o1 ZINC000093865110 165338986 /nfs/dbraw/zinc/33/89/86/165338986.db2.gz MGAXTCCQDZTZKH-CQSZACIVSA-N 1 2 263.362 3.223 10 0 CGAELO Cc1ccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)o1 ZINC000093865110 165338988 /nfs/dbraw/zinc/33/89/88/165338988.db2.gz MGAXTCCQDZTZKH-CQSZACIVSA-N 1 2 263.362 3.223 10 0 CGAELO CC(C)(CNC(=O)[C@@H]1CCCn2cc[nH+]c21)C1CCCC1 ZINC000178887023 165636523 /nfs/dbraw/zinc/63/65/23/165636523.db2.gz HYECXJGSGKHOGU-CQSZACIVSA-N 1 2 289.423 3.093 10 0 CGAELO Cc1cc2[nH+]cn(-c3ccccc3C=O)c2cc1C ZINC000020079201 170985408 /nfs/dbraw/zinc/98/54/08/170985408.db2.gz DNXDLRAHYPBNJO-UHFFFAOYSA-N 1 2 250.301 3.455 10 0 CGAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C(=O)Nc1ccccc1 ZINC000035164377 172025807 /nfs/dbraw/zinc/02/58/07/172025807.db2.gz XIXNSDUKDHNNGY-ZDUSSCGKSA-N 1 2 283.375 3.192 10 0 CGAELO CC[NH2+][C@H](c1ccoc1)c1c(F)cc(F)cc1F ZINC000035544522 172252562 /nfs/dbraw/zinc/25/25/62/172252562.db2.gz ZMTKKVDVGNEGSQ-CYBMUJFWSA-N 1 2 255.239 3.396 10 0 CGAELO COc1ccc(F)cc1CSc1ccc(N)[nH+]c1 ZINC000037192469 173021920 /nfs/dbraw/zinc/02/19/20/173021920.db2.gz COLWRVHNOMFQBJ-UHFFFAOYSA-N 1 2 264.325 3.104 10 0 CGAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067049 174078669 /nfs/dbraw/zinc/07/86/69/174078669.db2.gz WBFOFDVRRPQPMW-HZMBPMFUSA-N 1 2 269.772 3.116 10 0 CGAELO COc1cccc(Nc2nc[nH+]c(NC(C)(C)C)c2N)c1 ZINC000040680373 174374866 /nfs/dbraw/zinc/37/48/66/174374866.db2.gz MEILIDZABQXGII-UHFFFAOYSA-N 1 2 287.367 3.021 10 0 CGAELO COc1cccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)c1 ZINC000040680373 174374867 /nfs/dbraw/zinc/37/48/67/174374867.db2.gz MEILIDZABQXGII-UHFFFAOYSA-N 1 2 287.367 3.021 10 0 CGAELO CC(C)(C)Nc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040680706 174375335 /nfs/dbraw/zinc/37/53/35/174375335.db2.gz RFPYVDHWCOAAQE-UHFFFAOYSA-N 1 2 293.321 3.291 10 0 CGAELO CCNc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040707375 174379480 /nfs/dbraw/zinc/37/94/80/174379480.db2.gz SAVDUOZUXSBJBU-UHFFFAOYSA-N 1 2 297.284 3.253 10 0 CGAELO CCNc1nc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040707375 174379482 /nfs/dbraw/zinc/37/94/82/174379482.db2.gz SAVDUOZUXSBJBU-UHFFFAOYSA-N 1 2 297.284 3.253 10 0 CGAELO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000044410699 175171583 /nfs/dbraw/zinc/17/15/83/175171583.db2.gz RKRCTJAUNOBNDG-GXTWGEPZSA-N 1 2 281.421 3.377 10 0 CGAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)c(OC(F)F)c1 ZINC000725265075 544114077 /nfs/dbraw/zinc/11/40/77/544114077.db2.gz CHPDURCAWOLFBC-VIFPVBQESA-N 1 2 256.296 3.249 10 0 CGAELO C[C@H]1CCCC[N@H+]1c1ccc(N)c(OC(F)F)c1 ZINC000725265075 544114079 /nfs/dbraw/zinc/11/40/79/544114079.db2.gz CHPDURCAWOLFBC-VIFPVBQESA-N 1 2 256.296 3.249 10 0 CGAELO C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)O1 ZINC000151177963 287508414 /nfs/dbraw/zinc/50/84/14/287508414.db2.gz PSBBIDSEEQOVSH-BLLLJJGKSA-N 1 2 298.342 3.380 10 0 CGAELO Cc1noc(C[NH2+]C2c3ccccc3-c3ccccc32)n1 ZINC000038034486 260124667 /nfs/dbraw/zinc/12/46/67/260124667.db2.gz NYFGAYUYLOFGJD-UHFFFAOYSA-N 1 2 277.327 3.238 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc3cc[nH]c3c2)o1 ZINC000231738668 287643800 /nfs/dbraw/zinc/64/38/00/287643800.db2.gz NPXKTWYEDKXSFI-LLVKDONJSA-N 1 2 255.321 3.315 10 0 CGAELO C[C@H]1CC[N@H+](Cc2ccon2)[C@H]1c1cccc(F)c1 ZINC000245407664 278368372 /nfs/dbraw/zinc/36/83/72/278368372.db2.gz CFKQNNXJLHHWON-XHDPSFHLSA-N 1 2 260.312 3.397 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3.499 10 0 CGAELO CCCNc1cc(CC)[nH+]c(-c2ccc(O)cc2)n1 ZINC000050865221 520136251 /nfs/dbraw/zinc/13/62/51/520136251.db2.gz FGGIRUHBIGAKRA-UHFFFAOYSA-N 1 2 257.337 3.234 10 0 CGAELO CCN(Cc1ccc[nH+]c1NC)c1cccc(C)c1 ZINC000052722911 521397858 /nfs/dbraw/zinc/39/78/58/521397858.db2.gz GFZMEZPSBHSZPP-UHFFFAOYSA-N 1 2 255.365 3.458 10 0 CGAELO CNc1cc(COCc2ccccc2Cl)cc[nH+]1 ZINC000052754855 522568277 /nfs/dbraw/zinc/56/82/77/522568277.db2.gz ZMLRYDFXBOJTPV-UHFFFAOYSA-N 1 2 262.740 3.494 10 0 CGAELO CC[C@H]1CSC(Nc2ccc(OC)cc2C)=[NH+]1 ZINC000061568500 523357289 /nfs/dbraw/zinc/35/72/89/523357289.db2.gz RJIIEGHTJQXARG-JTQLQIEISA-N 1 2 250.367 3.297 10 0 CGAELO FC(F)(F)c1ccc(NCCCn2cc[nH+]c2)cc1 ZINC000049327684 527683815 /nfs/dbraw/zinc/68/38/15/527683815.db2.gz FCHSUEWMXAXTEZ-UHFFFAOYSA-N 1 2 269.270 3.404 10 0 CGAELO CC[C@]12CC[N@H+](CC3CC3)[C@H](C(=O)c3ccc(O)cc31)[C@@H]2C ZINC000004102216 560196606 /nfs/dbraw/zinc/19/66/06/560196606.db2.gz SEJUQQOPVAUETF-OYYNGEPBSA-N 1 2 299.414 3.357 10 0 in-vitro CGAELO CC[C@]12CC[N@@H+](CC3CC3)[C@H](C(=O)c3ccc(O)cc31)[C@@H]2C ZINC000004102216 560196607 /nfs/dbraw/zinc/19/66/07/560196607.db2.gz SEJUQQOPVAUETF-OYYNGEPBSA-N 1 2 299.414 3.357 10 0 in-vitro CGAELO Cc1ccc2oc(N3CC[NH+](C/C=C\Cl)CC3)nc2c1 ZINC000255136028 617969727 /nfs/dbraw/zinc/96/97/27/617969727.db2.gz PSTOYKLNDNNGAQ-DJWKRKHSSA-N 1 2 291.782 3.011 10 0 CGAELO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000320897722 625986423 /nfs/dbraw/zinc/98/64/23/625986423.db2.gz NTEKXNCNGQTLRZ-UONOGXRCSA-N 1 2 280.799 3.187 10 0 CGAELO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000320897722 625986424 /nfs/dbraw/zinc/98/64/24/625986424.db2.gz NTEKXNCNGQTLRZ-UONOGXRCSA-N 1 2 280.799 3.187 10 0 CGAELO Brc1cc2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000095933610 185033348 /nfs/dbraw/zinc/03/33/48/185033348.db2.gz KGIBXKSFWQQEBK-UHFFFAOYSA-N 1 2 291.192 3.336 10 0 CGAELO Brc1cc2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095933610 185033349 /nfs/dbraw/zinc/03/33/49/185033349.db2.gz KGIBXKSFWQQEBK-UHFFFAOYSA-N 1 2 291.192 3.336 10 0 CGAELO Cc1[nH+]c(C)n(-c2ccccc2C#N)c1Br ZINC000114691738 345966751 /nfs/dbraw/zinc/96/67/51/345966751.db2.gz ZUDGHVHWZRQARC-UHFFFAOYSA-N 1 2 276.137 3.123 10 0 CGAELO CS[C@H](C)CNc1[nH+]ccc(C)c1Br ZINC000235054717 346333682 /nfs/dbraw/zinc/33/36/82/346333682.db2.gz OOUXENAAEPZPLA-MRVPVSSYSA-N 1 2 275.215 3.316 10 0 CGAELO COC(=O)[C@@H]1C[C@@H](CCC2CCC(C)CC2)CC[NH2+]1 ZINC000584653569 346705123 /nfs/dbraw/zinc/70/51/23/346705123.db2.gz XRTWJIUBMDLTOS-WUCCLRPBSA-N 1 2 267.413 3.134 10 0 CGAELO COC(=O)[C@@H](C)c1cccc(Nc2cccc[nH+]2)c1 ZINC000584595541 346686837 /nfs/dbraw/zinc/68/68/37/346686837.db2.gz GKILCYNPQNKLTK-NSHDSACASA-N 1 2 256.305 3.102 10 0 CGAELO CC(C)(C)OC(=O)N1CCCC[C@@H](c2cccc(N)[nH+]2)C1 ZINC000616625707 348850677 /nfs/dbraw/zinc/85/06/77/348850677.db2.gz VWPTWEQECTWWFR-GFCCVEGCSA-N 1 2 291.395 3.168 10 0 CGAELO CCOC(=O)N1C[C@@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616671374 348861573 /nfs/dbraw/zinc/86/15/73/348861573.db2.gz LYTYYEIDOGGDGS-AWEZNQCLSA-N 1 2 297.358 3.081 10 0 CGAELO CC(C)(C)OC(=O)N1C[C@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616671451 348861971 /nfs/dbraw/zinc/86/19/71/348861971.db2.gz UNMCSKKJOPPRHC-CYBMUJFWSA-N 1 2 299.374 3.491 10 0 CGAELO Cc1[nH]c2c(cc[nH+]c2NCc2ccccc2)c1C=O ZINC000145506681 187911674 /nfs/dbraw/zinc/91/16/74/187911674.db2.gz BNKQIPYSOIKKBT-UHFFFAOYSA-N 1 2 265.316 3.296 10 0 CGAELO Cc1[nH+]cccc1N[C@@H](C)c1nc2ccccc2n1C ZINC000091495716 138344374 /nfs/dbraw/zinc/34/43/74/138344374.db2.gz LVZAWOHTOMWCEK-LBPRGKRZSA-N 1 2 266.348 3.450 10 0 CGAELO COc1c(C)c[nH+]c(COc2cccc(C=O)c2)c1C ZINC000019844445 368773007 /nfs/dbraw/zinc/77/30/07/368773007.db2.gz LJTLYEOVHCDVIO-UHFFFAOYSA-N 1 2 271.316 3.099 10 0 CGAELO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037074083 369058367 /nfs/dbraw/zinc/05/83/67/369058367.db2.gz PCBHGMKJZTVVCN-NEPJUHHUSA-N 1 2 263.381 3.196 10 0 CGAELO C[C@@H](c1ccco1)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000095089150 370173911 /nfs/dbraw/zinc/17/39/11/370173911.db2.gz OWKKGDLLAWKJCW-STQMWFEESA-N 1 2 294.395 3.282 10 0 CGAELO C[C@@H](c1ccco1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000095089150 370173916 /nfs/dbraw/zinc/17/39/16/370173916.db2.gz OWKKGDLLAWKJCW-STQMWFEESA-N 1 2 294.395 3.282 10 0 CGAELO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)s2)C(C)(C)CO1 ZINC000097139431 370230863 /nfs/dbraw/zinc/23/08/63/370230863.db2.gz HDETXOGLMPIFQY-SNVBAGLBSA-N 1 2 266.410 3.020 10 0 CGAELO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C(C)(C)CO1 ZINC000097139431 370230866 /nfs/dbraw/zinc/23/08/66/370230866.db2.gz HDETXOGLMPIFQY-SNVBAGLBSA-N 1 2 266.410 3.020 10 0 CGAELO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(F)c(Cl)c1 ZINC000112342744 370422072 /nfs/dbraw/zinc/42/20/72/370422072.db2.gz WBLNPRGERPGRLW-QMMMGPOBSA-N 1 2 253.708 3.053 10 0 CGAELO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000173399492 373135081 /nfs/dbraw/zinc/13/50/81/373135081.db2.gz REYLHLNUDVLGPR-ZDUSSCGKSA-N 1 2 276.771 3.185 10 0 CGAELO Clc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000173399492 373135085 /nfs/dbraw/zinc/13/50/85/373135085.db2.gz REYLHLNUDVLGPR-ZDUSSCGKSA-N 1 2 276.771 3.185 10 0 CGAELO C[C@H](NC(=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173922475 373215230 /nfs/dbraw/zinc/21/52/30/373215230.db2.gz JWQHCMSGZBGJRH-AWEZNQCLSA-N 1 2 291.354 3.363 10 0 CGAELO C[C@@H]1C[NH+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H](C)O1 ZINC000175028856 373396842 /nfs/dbraw/zinc/39/68/42/373396842.db2.gz HLANYMHCRCEKAN-VXGBXAGGSA-N 1 2 290.338 3.090 10 0 CGAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000177506451 373688741 /nfs/dbraw/zinc/68/87/41/373688741.db2.gz WYCKROWMAAVBRN-UHFFFAOYSA-N 1 2 292.404 3.000 10 0 CGAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccoc2)c2ccccc2)[nH]1 ZINC000178548172 373790304 /nfs/dbraw/zinc/79/03/04/373790304.db2.gz CKGJJCRFNQNCSK-XHDPSFHLSA-N 1 2 282.347 3.146 10 0 CGAELO CC(C)CCC[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000182317451 374256803 /nfs/dbraw/zinc/25/68/03/374256803.db2.gz DZCOSDOMHVNDJG-KRWDZBQOSA-N 1 2 256.415 3.149 10 0 CGAELO CC[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C(=O)OC ZINC000311560385 374247151 /nfs/dbraw/zinc/24/71/51/374247151.db2.gz OFUOAMBACOJXBI-UBHUBRDASA-N 1 2 281.783 3.127 10 0 CGAELO Cc1cc(F)ccc1C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000187165476 374982894 /nfs/dbraw/zinc/98/28/94/374982894.db2.gz GYSACKCNSXJWIQ-FQEVSTJZSA-N 1 2 294.395 3.360 10 0 CGAELO CCc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000189260814 375350783 /nfs/dbraw/zinc/35/07/83/375350783.db2.gz VIUVHEJOICYYGN-OAHLLOKOSA-N 1 2 288.416 3.279 10 0 CGAELO CCc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000189260814 375350787 /nfs/dbraw/zinc/35/07/87/375350787.db2.gz VIUVHEJOICYYGN-OAHLLOKOSA-N 1 2 288.416 3.279 10 0 CGAELO Cc1csc(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000195320412 376096512 /nfs/dbraw/zinc/09/65/12/376096512.db2.gz RKZZLHPOMQKHQN-UHFFFAOYSA-N 1 2 279.434 3.288 10 0 CGAELO Cc1cc[nH+]c(N[C@@H]2CCCCC[C@@H]2O)c1Br ZINC000235943687 376655450 /nfs/dbraw/zinc/65/54/50/376655450.db2.gz OAAZHUPRPMXZIF-MNOVXSKESA-N 1 2 299.212 3.258 10 0 CGAELO CC[C@@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000243729539 376787067 /nfs/dbraw/zinc/78/70/67/376787067.db2.gz PSRMUKHUJKZDPZ-HUUCEWRRSA-N 1 2 288.439 3.482 10 0 CGAELO CC[C@@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000243729539 376787073 /nfs/dbraw/zinc/78/70/73/376787073.db2.gz PSRMUKHUJKZDPZ-HUUCEWRRSA-N 1 2 288.439 3.482 10 0 CGAELO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000245409246 376809022 /nfs/dbraw/zinc/80/90/22/376809022.db2.gz LFMHKMKPZGPIEU-BZNIZROVSA-N 1 2 289.354 3.354 10 0 CGAELO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000245409246 376809032 /nfs/dbraw/zinc/80/90/32/376809032.db2.gz LFMHKMKPZGPIEU-BZNIZROVSA-N 1 2 289.354 3.354 10 0 CGAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1cccc(O)c1 ZINC000179288432 542200139 /nfs/dbraw/zinc/20/01/39/542200139.db2.gz WMGBPEUGXIGETK-LLVKDONJSA-N 1 2 267.332 3.452 10 0 CGAELO CCOC(=O)[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000259091826 377803930 /nfs/dbraw/zinc/80/39/30/377803930.db2.gz GKOCZEPNEWRZAC-OAHLLOKOSA-N 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376109722 /nfs/dbraw/zinc/10/97/22/376109722.db2.gz AOPVSGRZKDLHOK-UHFFFAOYSA-N 1 2 290.436 3.048 10 0 CGAELO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(C)n1CC ZINC000195075434 376075726 /nfs/dbraw/zinc/07/57/26/376075726.db2.gz TXGBFMCWPICUCY-CYBMUJFWSA-N 1 2 290.436 3.177 10 0 CGAELO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C)n1CC ZINC000195075434 376075732 /nfs/dbraw/zinc/07/57/32/376075732.db2.gz TXGBFMCWPICUCY-CYBMUJFWSA-N 1 2 290.436 3.177 10 0 CGAELO COc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1Cl ZINC000220953266 376210800 /nfs/dbraw/zinc/21/08/00/376210800.db2.gz IVAVYPHPFJUXSZ-SNVBAGLBSA-N 1 2 280.755 3.496 10 0 CGAELO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000233907569 376606519 /nfs/dbraw/zinc/60/65/19/376606519.db2.gz GURVLJJDMILVEF-SNVBAGLBSA-N 1 2 262.744 3.275 10 0 CGAELO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccccc1 ZINC000233907569 376606529 /nfs/dbraw/zinc/60/65/29/376606529.db2.gz GURVLJJDMILVEF-SNVBAGLBSA-N 1 2 262.744 3.275 10 0 CGAELO CCCc1noc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000245418177 376811270 /nfs/dbraw/zinc/81/12/70/376811270.db2.gz GLCWDEBCHCTIKK-LRDDRELGSA-N 1 2 271.364 3.215 10 0 CGAELO CCCc1noc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000245418177 376811274 /nfs/dbraw/zinc/81/12/74/376811274.db2.gz GLCWDEBCHCTIKK-LRDDRELGSA-N 1 2 271.364 3.215 10 0 CGAELO CCn1ncnc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000248824723 377406806 /nfs/dbraw/zinc/40/68/06/377406806.db2.gz ZQDYTIZYPXOJPR-DOMZBBRYSA-N 1 2 288.370 3.020 10 0 CGAELO CCn1ncnc1C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000248824723 377406815 /nfs/dbraw/zinc/40/68/15/377406815.db2.gz ZQDYTIZYPXOJPR-DOMZBBRYSA-N 1 2 288.370 3.020 10 0 CGAELO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2C)cc1OC ZINC000180248437 542208177 /nfs/dbraw/zinc/20/81/77/542208177.db2.gz UBWCIOOXTBDJAP-GHMZBOCLSA-N 1 2 289.379 3.147 10 0 CGAELO C[C@H]1CS[C@@H](c2ccsc2Br)[NH2+]1 ZINC000575542428 377917985 /nfs/dbraw/zinc/91/79/85/377917985.db2.gz SJQJVOGKSLISMK-XNCJUZBTSA-N 1 2 264.213 3.234 10 0 CGAELO Cc1nc([C@@H](C)[NH2+]Cc2nc(C)c(C)s2)cs1 ZINC000348313348 378902348 /nfs/dbraw/zinc/90/23/48/378902348.db2.gz XMXLPOWOEZZHCT-MRVPVSSYSA-N 1 2 267.423 3.376 10 0 CGAELO FC1(F)C[NH2+]CC[C@@H]1c1nc(C2CCCCCC2)no1 ZINC000334871912 207221798 /nfs/dbraw/zinc/22/17/98/207221798.db2.gz JMQAAENPCHASRL-LLVKDONJSA-N 1 2 285.338 3.220 10 0 CGAELO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(C)o1 ZINC000231639348 542304601 /nfs/dbraw/zinc/30/46/01/542304601.db2.gz HKZBVCFZPMXYNG-OAHLLOKOSA-N 1 2 272.348 3.159 10 0 CGAELO CCC1CCC(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000333891231 542453703 /nfs/dbraw/zinc/45/37/03/542453703.db2.gz YTFRITPCEYWNGN-GFJIZPEISA-N 1 2 290.411 3.157 10 0 CGAELO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1nccs1 ZINC000153395160 533535843 /nfs/dbraw/zinc/53/58/43/533535843.db2.gz VNYCRNZNRDADSM-RKDXNWHRSA-N 1 2 251.330 3.089 10 0 CGAELO C1=C[C@@H]([NH2+]C2(c3noc(C4CC4)n3)CCCC2)CCC1 ZINC000173713905 392628305 /nfs/dbraw/zinc/62/83/05/392628305.db2.gz PNQPEPOVFMNPRK-CYBMUJFWSA-N 1 2 273.380 3.415 10 0 CGAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)[nH]1 ZINC000392494097 392932211 /nfs/dbraw/zinc/93/22/11/392932211.db2.gz YZBIONCOINWUGK-HTQZYQBOSA-N 1 2 282.750 3.317 10 0 CGAELO CCOC(=O)[C@](C)([NH2+]CC1CC1)c1c(C)cc(C)cc1C ZINC000037968036 285947476 /nfs/dbraw/zinc/94/74/76/285947476.db2.gz SOBUMMRFVLLZCL-GOSISDBHSA-N 1 2 289.419 3.390 10 0 CGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000090227124 165230636 /nfs/dbraw/zinc/23/06/36/165230636.db2.gz PUJVIAKOCBSSJW-XPTSAGLGSA-N 1 2 292.333 3.050 10 0 CGAELO C[C@@H]1C[NH+]=C(Nc2ccc(Br)cc2)S1 ZINC000005587125 170116805 /nfs/dbraw/zinc/11/68/05/170116805.db2.gz SWEMHEJCVHGXBL-SSDOTTSWSA-N 1 2 271.183 3.352 10 0 CGAELO CCc1ccc([C@](CC)([NH2+]C(C)C)C(=O)OC)cc1 ZINC000037445655 173211743 /nfs/dbraw/zinc/21/17/43/173211743.db2.gz KNPRZTSVNNWNFI-INIZCTEOSA-N 1 2 263.381 3.025 10 0 CGAELO Cc1noc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000038034221 174032765 /nfs/dbraw/zinc/03/27/65/174032765.db2.gz OXXUECVINAHSIB-GFCCVEGCSA-N 1 2 289.379 3.264 10 0 CGAELO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1cc[nH]n1 ZINC000038038902 174039840 /nfs/dbraw/zinc/03/98/40/174039840.db2.gz UIKLMLJELBZFIO-MRVPVSSYSA-N 1 2 298.159 3.162 10 0 CGAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000038066855 174078359 /nfs/dbraw/zinc/07/83/59/174078359.db2.gz PODYEMVGGKGPDW-DZGCQCFKSA-N 1 2 263.381 3.214 10 0 CGAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1ccc(C)c(C)c1 ZINC000038067974 174079884 /nfs/dbraw/zinc/07/98/84/174079884.db2.gz SUIWTDLQPPRDCD-HIFRSBDPSA-N 1 2 263.381 3.296 10 0 CGAELO OCCCc1[nH+]c2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409849 174254728 /nfs/dbraw/zinc/25/47/28/174254728.db2.gz NPTGKMRORQJZHR-UHFFFAOYSA-N 1 2 290.750 3.256 10 0 CGAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040680710 174375083 /nfs/dbraw/zinc/37/50/83/174375083.db2.gz HTJAUAKIQXVMTQ-UHFFFAOYSA-N 1 2 293.321 3.291 10 0 CGAELO CC(C)(C)Nc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040680710 174375085 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Fc1ccc(F)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249721402 377526251 /nfs/dbraw/zinc/52/62/51/377526251.db2.gz MROBTPMEDGTWEF-HUUCEWRRSA-N 1 2 267.319 3.108 10 0 CGAELO Fc1ccc(F)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249721402 377526259 /nfs/dbraw/zinc/52/62/59/377526259.db2.gz MROBTPMEDGTWEF-HUUCEWRRSA-N 1 2 267.319 3.108 10 0 CGAELO Cc1cc(C)c(NC(=O)N2C[C@@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000334712496 206953395 /nfs/dbraw/zinc/95/33/95/206953395.db2.gz NHQOMDLQMITORS-QWHCGFSZSA-N 1 2 259.353 3.023 10 0 CGAELO Clc1cc([C@@H]2[NH2+]CCc3nc[nH]c32)c(Cl)s1 ZINC000400467891 542622414 /nfs/dbraw/zinc/62/24/14/542622414.db2.gz PBVNAGCYFPZYNJ-QMMMGPOBSA-N 1 2 274.176 3.013 10 0 CGAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000049367644 392044085 /nfs/dbraw/zinc/04/40/85/392044085.db2.gz VOABAENEVOVPJH-STQMWFEESA-N 1 2 263.381 3.412 10 0 CGAELO C[C@H]1CCCN(c2cc(N3CCCCCC3)[nH+]cn2)C1 ZINC000110110659 392378336 /nfs/dbraw/zinc/37/83/36/392378336.db2.gz MZNMBEMTWHURKW-AWEZNQCLSA-N 1 2 274.412 3.093 10 0 CGAELO C[C@H]1CCCN(c2cc(N3CCCCCC3)nc[nH+]2)C1 ZINC000110110659 392378338 /nfs/dbraw/zinc/37/83/38/392378338.db2.gz MZNMBEMTWHURKW-AWEZNQCLSA-N 1 2 274.412 3.093 10 0 CGAELO C[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc21 ZINC000133794729 392465200 /nfs/dbraw/zinc/46/52/00/392465200.db2.gz JKXWJTOFIKZQFQ-IAQYHMDHSA-N 1 2 293.374 3.414 10 0 CGAELO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cscn1 ZINC000162320207 287070295 /nfs/dbraw/zinc/07/02/95/287070295.db2.gz JQUNUSAGXPPBLP-PWSUYJOCSA-N 1 2 260.362 3.318 10 0 CGAELO CC[C@@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080583702 165157115 /nfs/dbraw/zinc/15/71/15/165157115.db2.gz WPOLCLKDYIDOHA-VXGBXAGGSA-N 1 2 289.404 3.090 10 0 CGAELO CC[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080583711 165158615 /nfs/dbraw/zinc/15/86/15/165158615.db2.gz WPOLCLKDYIDOHA-NWDGAFQWSA-N 1 2 289.404 3.090 10 0 CGAELO O=C(NCC1CCCCCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000081570845 165165640 /nfs/dbraw/zinc/16/56/40/165165640.db2.gz YUOZDRYKEYLVJZ-OAHLLOKOSA-N 1 2 289.423 3.237 10 0 CGAELO CCN(CC)c1ccc(NCc2cccn2CC)c[nH+]1 ZINC000091024154 165248989 /nfs/dbraw/zinc/24/89/89/165248989.db2.gz RJBZVPYTCMPLEF-UHFFFAOYSA-N 1 2 272.396 3.361 10 0 CGAELO CCCCc1nc(Cl)c(C[NH2+]Cc2c(C)noc2C)[nH]1 ZINC000092328870 165290914 /nfs/dbraw/zinc/29/09/14/165290914.db2.gz ZBDSPUXQZGKOLN-UHFFFAOYSA-N 1 2 296.802 3.300 10 0 CGAELO COc1cc(Cl)c(C)cc1Nc1[nH+]cccc1N ZINC000020317627 171147853 /nfs/dbraw/zinc/14/78/53/171147853.db2.gz YMRBSEXOWCUCMW-UHFFFAOYSA-N 1 2 263.728 3.378 10 0 CGAELO Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2)c[nH+]1 ZINC000037192689 173021737 /nfs/dbraw/zinc/02/17/37/173021737.db2.gz TYFWTQNSKYGJMZ-UHFFFAOYSA-N 1 2 293.779 3.048 10 0 CGAELO COc1ccccc1C[C@@H](C)[NH2+]c1ccc(O)cc1 ZINC000037316839 173117551 /nfs/dbraw/zinc/11/75/51/173117551.db2.gz IENOCPUEQFTTPE-GFCCVEGCSA-N 1 2 257.333 3.444 10 0 CGAELO CCCc1ccc([C@](C)([NH2+]C(C)C)C(=O)OC)cc1 ZINC000037445733 173213110 /nfs/dbraw/zinc/21/31/10/173213110.db2.gz LRJPKKRSFXNJFQ-INIZCTEOSA-N 1 2 263.381 3.025 10 0 CGAELO CCC[NH2+][C@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000037513240 173244481 /nfs/dbraw/zinc/24/44/81/173244481.db2.gz HJFXGDXNHMSELU-AWEZNQCLSA-N 1 2 269.772 3.118 10 0 CGAELO C[C@H]1C[NH+](Cc2cnc(-c3cccs3)s2)C[C@H](C)O1 ZINC000127072864 287279745 /nfs/dbraw/zinc/27/97/45/287279745.db2.gz IAMVGOHURDWTBL-QWRGUYRKSA-N 1 2 294.445 3.481 10 0 CGAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000038066672 174078457 /nfs/dbraw/zinc/07/84/57/174078457.db2.gz YFVBYGGVXSNPPS-CJNGLKHVSA-N 1 2 263.381 3.080 10 0 CGAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCCCCC1 ZINC000040231717 174210719 /nfs/dbraw/zinc/21/07/19/174210719.db2.gz WHFVVJNMIYMTJA-UHFFFAOYSA-N 1 2 297.402 3.316 10 0 CGAELO Cc1cc2[nH+]c(CCO)n(Cc3ccc(F)cc3)c2cc1C ZINC000040310690 174230552 /nfs/dbraw/zinc/23/05/52/174230552.db2.gz OJCODKNSFWYYCD-UHFFFAOYSA-N 1 2 298.361 3.375 10 0 CGAELO CCN(c1cccc2ccccc21)c1nc[nH+]c(NC)c1N ZINC000040701917 174379182 /nfs/dbraw/zinc/37/91/82/174379182.db2.gz OHDPQZFIOMWMND-UHFFFAOYSA-N 1 2 293.374 3.412 10 0 CGAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000044410708 175171524 /nfs/dbraw/zinc/17/15/24/175171524.db2.gz RKRCTJAUNOBNDG-OCCSQVGLSA-N 1 2 281.421 3.377 10 0 CGAELO Cc1ccccc1[C@H]1CN(c2cc[nH+]c(C)n2)[C@@H](C)CO1 ZINC000246418933 281395626 /nfs/dbraw/zinc/39/56/26/281395626.db2.gz HXRDUXXKQJYIRA-XJKSGUPXSA-N 1 2 283.375 3.060 10 0 CGAELO Cc1cc(F)ccc1C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000187165460 327710290 /nfs/dbraw/zinc/71/02/90/327710290.db2.gz GYSACKCNSXJWIQ-HXUWFJFHSA-N 1 2 294.395 3.360 10 0 CGAELO CCn1c(C)nnc1C[N@H+](CC)Cc1cccc(Cl)c1 ZINC000195082182 336044643 /nfs/dbraw/zinc/04/46/43/336044643.db2.gz ZYKFRSOSMSPJLN-UHFFFAOYSA-N 1 2 292.814 3.282 10 0 CGAELO CCn1c(C)nnc1C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000195082182 336044645 /nfs/dbraw/zinc/04/46/45/336044645.db2.gz ZYKFRSOSMSPJLN-UHFFFAOYSA-N 1 2 292.814 3.282 10 0 CGAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccc(F)cc1C ZINC000050580295 521271120 /nfs/dbraw/zinc/27/11/20/521271120.db2.gz JJHLJAUZPLHDHQ-SMDDNHRTSA-N 1 2 267.344 3.126 10 0 CGAELO CC[N@@H+]1CCC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000160909414 521624597 /nfs/dbraw/zinc/62/45/97/521624597.db2.gz YYTBJNZKQWPBBG-CQSZACIVSA-N 1 2 270.779 3.053 10 0 CGAELO CC[N@H+]1CCC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000160909414 521624603 /nfs/dbraw/zinc/62/46/03/521624603.db2.gz YYTBJNZKQWPBBG-CQSZACIVSA-N 1 2 270.779 3.053 10 0 CGAELO CCc1[nH+]ccn1-c1nnc(Cl)c2ccccc21 ZINC000050530613 522578989 /nfs/dbraw/zinc/57/89/89/522578989.db2.gz FZHSDWGAOKDZQK-UHFFFAOYSA-N 1 2 258.712 3.031 10 0 CGAELO CNc1ccc(CSc2ccc(OC)cc2)c[nH+]1 ZINC000050834123 522611829 /nfs/dbraw/zinc/61/18/29/522611829.db2.gz HVZOTHIQXCZHHG-UHFFFAOYSA-N 1 2 260.362 3.424 10 0 CGAELO CCc1cc(NC)nc(-c2ccc(O)c(Cl)c2)[nH+]1 ZINC000050865135 523819732 /nfs/dbraw/zinc/81/97/32/523819732.db2.gz NJNXOSHNAKITBM-UHFFFAOYSA-N 1 2 263.728 3.107 10 0 CGAELO Nc1cc(Cl)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000050443242 527452049 /nfs/dbraw/zinc/45/20/49/527452049.db2.gz ZMYOBWUKINCIJH-GJZGRUSLSA-N 1 2 280.799 3.066 10 0 CGAELO Nc1cc(Cl)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000050443242 527452052 /nfs/dbraw/zinc/45/20/52/527452052.db2.gz ZMYOBWUKINCIJH-GJZGRUSLSA-N 1 2 280.799 3.066 10 0 CGAELO CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000067678014 620374045 /nfs/dbraw/zinc/37/40/45/620374045.db2.gz RTWWSKJFVMORID-OAHLLOKOSA-N 1 2 270.380 3.025 10 0 CGAELO CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000067678014 620374046 /nfs/dbraw/zinc/37/40/46/620374046.db2.gz RTWWSKJFVMORID-OAHLLOKOSA-N 1 2 270.380 3.025 10 0 CGAELO CCn1cc[nH+]c1CNc1cc(NC(C)=O)ccc1Cl ZINC000177094263 529580949 /nfs/dbraw/zinc/58/09/49/529580949.db2.gz PSEXBDRYRWPBQG-UHFFFAOYSA-N 1 2 292.770 3.127 10 0 CGAELO C[C@@H]([NH2+]c1ccc(N)cc1Br)C1CC1 ZINC000043596925 345002121 /nfs/dbraw/zinc/00/21/21/345002121.db2.gz JOOKGEOTDOJUFO-SSDOTTSWSA-N 1 2 255.159 3.242 10 0 CGAELO Cc1cccc(Nc2nc[nH+]c3cc(N)ccc32)c1 ZINC000087819888 345757720 /nfs/dbraw/zinc/75/77/20/345757720.db2.gz AHGSPAKNJWCSRF-UHFFFAOYSA-N 1 2 250.305 3.264 10 0 CGAELO CS[C@@H](C)CNc1[nH+]ccc(C)c1Br ZINC000300214284 346436088 /nfs/dbraw/zinc/43/60/88/346436088.db2.gz OOUXENAAEPZPLA-QMMMGPOBSA-N 1 2 275.215 3.316 10 0 CGAELO CC(C)(C)OC(=O)N1CCCCC[C@H]1c1[nH]cc[nH+]1 ZINC000616622814 348849022 /nfs/dbraw/zinc/84/90/22/348849022.db2.gz HCVZVASKNIGIHV-NSHDSACASA-N 1 2 265.357 3.262 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616667331 348859853 /nfs/dbraw/zinc/85/98/53/348859853.db2.gz IJBRAQQYWWBRIF-CYBMUJFWSA-N 1 2 271.320 3.060 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@H]1c1ccc(N)[nH+]c1 ZINC000616668874 348861112 /nfs/dbraw/zinc/86/11/12/348861112.db2.gz ZDUFZNPRYNNUOF-HNNXBMFYSA-N 1 2 297.358 3.145 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccnc2C(F)(F)F)o1 ZINC000625322249 350158845 /nfs/dbraw/zinc/15/88/45/350158845.db2.gz BOGSWHKCKXHLQB-SECBINFHSA-N 1 2 285.269 3.248 10 0 CGAELO Clc1ccc2c(n1)OCC[N@@H+](Cc1ccccc1)C2 ZINC000091301531 180128914 /nfs/dbraw/zinc/12/89/14/180128914.db2.gz JEPLEQKGUWBMPA-UHFFFAOYSA-N 1 2 274.751 3.130 10 0 CGAELO Clc1ccc2c(n1)OCC[N@H+](Cc1ccccc1)C2 ZINC000091301531 180128916 /nfs/dbraw/zinc/12/89/16/180128916.db2.gz JEPLEQKGUWBMPA-UHFFFAOYSA-N 1 2 274.751 3.130 10 0 CGAELO Cc1nnc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)n1C ZINC000091314699 138343877 /nfs/dbraw/zinc/34/38/77/138343877.db2.gz ZNWXQPUQDKRYLM-HNNXBMFYSA-N 1 2 292.814 3.264 10 0 CGAELO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116290761 138365619 /nfs/dbraw/zinc/36/56/19/138365619.db2.gz LLNNWSOYMZHZFY-GFCCVEGCSA-N 1 2 275.352 3.198 10 0 CGAELO CC(C)Cc1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116290761 138365621 /nfs/dbraw/zinc/36/56/21/138365621.db2.gz LLNNWSOYMZHZFY-GFCCVEGCSA-N 1 2 275.352 3.198 10 0 CGAELO CC(C)Cc1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000116290765 138365662 /nfs/dbraw/zinc/36/56/62/138365662.db2.gz LLNNWSOYMZHZFY-LBPRGKRZSA-N 1 2 275.352 3.198 10 0 CGAELO CC(C)Cc1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000116290765 138365664 /nfs/dbraw/zinc/36/56/64/138365664.db2.gz LLNNWSOYMZHZFY-LBPRGKRZSA-N 1 2 275.352 3.198 10 0 CGAELO Cc1cccc([S@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000177102789 189028857 /nfs/dbraw/zinc/02/88/57/189028857.db2.gz JXWDUBGWWHPEIA-GOSISDBHSA-N 1 2 262.378 3.080 10 0 CGAELO C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC=CC[C@@H]4C3)nc[nH+]2)C1 ZINC000301454503 201015545 /nfs/dbraw/zinc/01/55/45/201015545.db2.gz YINPMQKZUDHYFH-OAGGEKHMSA-N 1 2 298.434 3.115 10 0 CGAELO C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC=CC[C@@H]4C3)[nH+]cn2)C1 ZINC000301454503 201015547 /nfs/dbraw/zinc/01/55/47/201015547.db2.gz YINPMQKZUDHYFH-OAGGEKHMSA-N 1 2 298.434 3.115 10 0 CGAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000120964851 370817959 /nfs/dbraw/zinc/81/79/59/370817959.db2.gz STHUNBAJPYWYKO-VIFPVBQESA-N 1 2 296.777 3.021 10 0 CGAELO CCSC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031623701 368916283 /nfs/dbraw/zinc/91/62/83/368916283.db2.gz OXKPHCFVYJZBOG-UHFFFAOYSA-N 1 2 270.829 3.173 10 0 CGAELO COc1ccc(OC2CC[NH+](c3ccc(O)cc3)CC2)cc1 ZINC000035080379 368995970 /nfs/dbraw/zinc/99/59/70/368995970.db2.gz GKPTVAJAQKOCBR-UHFFFAOYSA-N 1 2 299.370 3.449 10 0 CGAELO Fc1cc(F)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000092810654 370102306 /nfs/dbraw/zinc/10/23/06/370102306.db2.gz STVVJKKNJABNJK-UHFFFAOYSA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000114484377 370501933 /nfs/dbraw/zinc/50/19/33/370501933.db2.gz RDQVSOVNSJCHRG-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000114484377 370501939 /nfs/dbraw/zinc/50/19/39/370501939.db2.gz RDQVSOVNSJCHRG-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO CCn1nccc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000130589985 371045432 /nfs/dbraw/zinc/04/54/32/371045432.db2.gz BTDJKHJKOHNMHZ-KRWDZBQOSA-N 1 2 299.418 3.255 10 0 CGAELO CCn1nccc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000130589985 371045435 /nfs/dbraw/zinc/04/54/35/371045435.db2.gz BTDJKHJKOHNMHZ-KRWDZBQOSA-N 1 2 299.418 3.255 10 0 CGAELO Cc1nn(C)c(C)c1[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000134959572 371379742 /nfs/dbraw/zinc/37/97/42/371379742.db2.gz ABUSPGQXNQYNQM-OAHLLOKOSA-N 1 2 295.390 3.255 10 0 CGAELO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171702909 372813443 /nfs/dbraw/zinc/81/34/43/372813443.db2.gz GFBJGFSQWBHJMJ-NSHDSACASA-N 1 2 298.839 3.024 10 0 CGAELO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171702909 372813456 /nfs/dbraw/zinc/81/34/56/372813456.db2.gz GFBJGFSQWBHJMJ-NSHDSACASA-N 1 2 298.839 3.024 10 0 CGAELO Cc1ccoc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173944556 373221225 /nfs/dbraw/zinc/22/12/25/373221225.db2.gz SHICZWZEICUCCL-CYBMUJFWSA-N 1 2 295.342 3.265 10 0 CGAELO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)sc1C ZINC000177751322 373706335 /nfs/dbraw/zinc/70/63/35/373706335.db2.gz ZFUSKUFMNRUGHF-CYBMUJFWSA-N 1 2 276.409 3.210 10 0 CGAELO Cc1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)sc1C ZINC000177751322 373706342 /nfs/dbraw/zinc/70/63/42/373706342.db2.gz 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/nfs/dbraw/zinc/00/94/02/249009402.db2.gz NXTOGRXSIPVQPJ-STQMWFEESA-N 1 2 263.381 3.376 10 0 CGAELO CCn1cc[nH+]c1CSCc1nc(C(C)(C)C)no1 ZINC000083632714 249006998 /nfs/dbraw/zinc/00/69/98/249006998.db2.gz XBKTYJVDDGDTQR-UHFFFAOYSA-N 1 2 280.397 3.017 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@](=O)C/C=C\c1ccccc1 ZINC000255356194 377751745 /nfs/dbraw/zinc/75/17/45/377751745.db2.gz DLLUJYGDHAQTGP-QKWWCAPFSA-N 1 2 288.416 3.426 10 0 CGAELO Brc1sccc1[C@H]1[NH2+]CCCS1 ZINC000575541477 377917660 /nfs/dbraw/zinc/91/76/60/377917660.db2.gz HMFNAAKFCGCLJM-QMMMGPOBSA-N 1 2 264.213 3.236 10 0 CGAELO CC(C)n1cc[nH+]c1CNc1c(F)cc(F)cc1F ZINC000268160242 190382540 /nfs/dbraw/zinc/38/25/40/190382540.db2.gz NHEIYIHFRQQHEU-UHFFFAOYSA-N 1 2 269.270 3.493 10 0 CGAELO CC(C)Cc1ccc([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000195016499 542278887 /nfs/dbraw/zinc/27/88/87/542278887.db2.gz RUORQECGRMUGKH-CQSZACIVSA-N 1 2 299.418 3.418 10 0 CGAELO CC(C)Cc1ccc([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000195016499 542278889 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CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000185789951 392773924 /nfs/dbraw/zinc/77/39/24/392773924.db2.gz AKQJYLXATNNQTB-MRXNPFEDSA-N 1 2 296.418 3.029 10 0 CGAELO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000185789951 392773927 /nfs/dbraw/zinc/77/39/27/392773927.db2.gz AKQJYLXATNNQTB-MRXNPFEDSA-N 1 2 296.418 3.029 10 0 CGAELO c1cc(CNc2ccc(N3CCCCC3)[nH+]c2)c[nH]1 ZINC000090994431 165249090 /nfs/dbraw/zinc/24/90/90/165249090.db2.gz QQHPRANCNPCGCD-UHFFFAOYSA-N 1 2 256.353 3.012 10 0 CGAELO c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091979486 165278345 /nfs/dbraw/zinc/27/83/45/165278345.db2.gz VCRQYJSEXPBEAL-ZWKOTPCHSA-N 1 2 297.402 3.220 10 0 CGAELO c1c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091979486 165278348 /nfs/dbraw/zinc/27/83/48/165278348.db2.gz VCRQYJSEXPBEAL-ZWKOTPCHSA-N 1 2 297.402 3.220 10 0 CGAELO COc1ccc(NCc2cn3cccc(C)c3[nH+]2)c(OC)c1 ZINC000008416374 170335852 /nfs/dbraw/zinc/33/58/52/170335852.db2.gz ZRAXKSCWVQMPEX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/17/74/86/336177486.db2.gz YUXUKLFVELFPPT-UHFFFAOYSA-N 1 2 254.337 3.195 10 0 CGAELO CCNc1nc(-c2ccc(C)cc2)[nH+]c2c1CCC2 ZINC000050847796 520349790 /nfs/dbraw/zinc/34/97/90/520349790.db2.gz UBHUQWBZOXSADR-UHFFFAOYSA-N 1 2 253.349 3.373 10 0 CGAELO CC[C@H]1CSC(Nc2ccc(OC)c(C)c2)=[NH+]1 ZINC000049531647 523357594 /nfs/dbraw/zinc/35/75/94/523357594.db2.gz CKTCJMVBYBLAPQ-JTQLQIEISA-N 1 2 250.367 3.297 10 0 CGAELO CCc1cc(NC)c2cccc(OC(F)F)c2[nH+]1 ZINC000050870828 523819762 /nfs/dbraw/zinc/81/97/62/523819762.db2.gz BMRLDSCIOLTTOT-UHFFFAOYSA-N 1 2 252.264 3.440 10 0 CGAELO CCCC(CCC)[S@@](=O)Cc1[nH+]ccn1CC ZINC000177294281 528001716 /nfs/dbraw/zinc/00/17/16/528001716.db2.gz GQYIPIULHKAUSB-KRWDZBQOSA-N 1 2 256.415 3.121 10 0 CGAELO CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)OC ZINC000181502735 529206115 /nfs/dbraw/zinc/20/61/15/529206115.db2.gz PROQCGGPAVISQH-MLGOLLRUSA-N 1 2 271.360 3.442 10 0 CGAELO Cc1nc([C@H]2[NH2+]CCc3occc32)sc1Br ZINC000719293568 567895180 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C[C@@H]1CCCN(c2cc(NCc3cccc(O)c3)nc[nH+]2)C1 ZINC000180419818 374002151 /nfs/dbraw/zinc/00/21/51/374002151.db2.gz KMWCGBIELUNZND-CYBMUJFWSA-N 1 2 298.390 3.031 10 0 CGAELO c1nnc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)CCC3)[nH]1 ZINC000182683341 374313200 /nfs/dbraw/zinc/31/32/00/374313200.db2.gz PVSLNVOLYFPKSA-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO c1nnc([C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)CCC3)[nH]1 ZINC000182683341 374313207 /nfs/dbraw/zinc/31/32/07/374313207.db2.gz PVSLNVOLYFPKSA-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO C[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccncc1 ZINC000189151461 375333391 /nfs/dbraw/zinc/33/33/91/375333391.db2.gz ZQODDVYTQXULRY-LLVKDONJSA-N 1 2 298.321 3.122 10 0 CGAELO C[C@@H](c1cccc(F)c1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521866 376109270 /nfs/dbraw/zinc/10/92/70/376109270.db2.gz CQKFZDQDYGSTJT-FZMZJTMJSA-N 1 2 292.379 3.417 10 0 CGAELO C[C@@H](c1cccc(F)c1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521866 376109279 /nfs/dbraw/zinc/10/92/79/376109279.db2.gz CQKFZDQDYGSTJT-FZMZJTMJSA-N 1 2 292.379 3.417 10 0 CGAELO CC(C)n1ccnc1CSc1[nH+]cc2ccccn21 ZINC000195517078 376109440 /nfs/dbraw/zinc/10/94/40/376109440.db2.gz MDPVIKKVPRBHGZ-UHFFFAOYSA-N 1 2 272.377 3.404 10 0 CGAELO COc1cc(C)[nH+]c(CNc2cccnc2OC(C)C)c1 ZINC000213481461 376141158 /nfs/dbraw/zinc/14/11/58/376141158.db2.gz KPOWCGRTZXTYJI-UHFFFAOYSA-N 1 2 287.363 3.193 10 0 CGAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000223644618 376258204 /nfs/dbraw/zinc/25/82/04/376258204.db2.gz MLLNVMLQLSZYPQ-LBPRGKRZSA-N 1 2 260.337 3.233 10 0 CGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)o1 ZINC000230643986 376522369 /nfs/dbraw/zinc/52/23/69/376522369.db2.gz QEIZAJCPUIZUPO-JTQLQIEISA-N 1 2 292.766 3.422 10 0 CGAELO Cc1ccc([C@H](C)Nc2nc[nH+]c(N)c2Cl)cc1F ZINC000235561182 376646312 /nfs/dbraw/zinc/64/63/12/376646312.db2.gz PFYWEVDLAXRULD-QMMMGPOBSA-N 1 2 280.734 3.333 10 0 CGAELO Cc1ccc([C@H](C)Nc2[nH+]cnc(N)c2Cl)cc1F ZINC000235561182 376646318 /nfs/dbraw/zinc/64/63/18/376646318.db2.gz 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Cc1ccc(-n2c(N)[nH+]c3c2cccc3F)c(C)c1 ZINC000037421360 173198133 /nfs/dbraw/zinc/19/81/33/173198133.db2.gz JSXWFUWJQFXOLF-UHFFFAOYSA-N 1 2 255.296 3.364 10 0 CGAELO CCc1ccc([C@](C)([NH2+][C@@H](C)CC)C(=O)OC)cc1 ZINC000038066782 174078677 /nfs/dbraw/zinc/07/86/77/174078677.db2.gz UKWCKVAEUHJOGF-LRDDRELGSA-N 1 2 263.381 3.025 10 0 CGAELO COc1cc(C[N@H+]2[C@H](C)COC[C@@H]2C)ccc1SC ZINC000077364839 177257898 /nfs/dbraw/zinc/25/78/98/177257898.db2.gz JQXHAZREXREWPE-TXEJJXNPSA-N 1 2 281.421 3.026 10 0 CGAELO COc1cc(C[N@@H+]2[C@H](C)COC[C@@H]2C)ccc1SC ZINC000077364839 177257899 /nfs/dbraw/zinc/25/78/99/177257899.db2.gz JQXHAZREXREWPE-TXEJJXNPSA-N 1 2 281.421 3.026 10 0 CGAELO CC1CC[NH+](c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265071 544113793 /nfs/dbraw/zinc/11/37/93/544113793.db2.gz CFJRVJXUXUNODO-UHFFFAOYSA-N 1 2 256.296 3.107 10 0 CGAELO C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)c2ccccc21 ZINC000133794307 278613033 /nfs/dbraw/zinc/61/30/33/278613033.db2.gz JKXWJTOFIKZQFQ-ABAIWWIYSA-N 1 2 293.374 3.414 10 0 CGAELO CC(C)N(Cc1cccs1)c1cc[nH+]c(C(N)=S)c1 ZINC000061812857 519662688 /nfs/dbraw/zinc/66/26/88/519662688.db2.gz XTNKUJKYRGFYND-UHFFFAOYSA-N 1 2 291.445 3.192 10 0 CGAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)cc1C ZINC000050580290 521086055 /nfs/dbraw/zinc/08/60/55/521086055.db2.gz JJHLJAUZPLHDHQ-FZMZJTMJSA-N 1 2 267.344 3.126 10 0 CGAELO CCOc1cccc(-n2c[nH+]c3cc(N)ccc32)c1 ZINC000052854373 521315506 /nfs/dbraw/zinc/31/55/06/521315506.db2.gz LNNNCBWWWJOFCX-UHFFFAOYSA-N 1 2 253.305 3.006 10 0 CGAELO CNc1[nH+]cccc1CN(C)c1ccc(C)cc1C ZINC000052727861 522710116 /nfs/dbraw/zinc/71/01/16/522710116.db2.gz ZZLHDDJLUJGFIC-UHFFFAOYSA-N 1 2 255.365 3.377 10 0 CGAELO Cc1cc(Cl)ccc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812340 524902320 /nfs/dbraw/zinc/90/23/20/524902320.db2.gz PHEOPQZFDBHPSF-UHFFFAOYSA-N 1 2 277.780 3.421 10 0 CGAELO Nc1nc(Cc2ccc(Cl)cc2)[nH+]c2c1CCCC2 ZINC000050846705 527552239 /nfs/dbraw/zinc/55/22/39/527552239.db2.gz SGHPCLODOJSNTF-UHFFFAOYSA-N 1 2 273.767 3.182 10 0 CGAELO CCn1cc[nH+]c1CNc1ccc(-c2nccc(C)n2)cc1 ZINC000124500942 536111102 /nfs/dbraw/zinc/11/11/02/536111102.db2.gz YPBAVSXZOIHMLJ-UHFFFAOYSA-N 1 2 293.374 3.281 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000220599658 572339080 /nfs/dbraw/zinc/33/90/80/572339080.db2.gz IHHGTGWEKJKILW-ZDUSSCGKSA-N 1 2 283.375 3.079 10 0 CGAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000220599658 572339090 /nfs/dbraw/zinc/33/90/90/572339090.db2.gz IHHGTGWEKJKILW-ZDUSSCGKSA-N 1 2 283.375 3.079 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000220599589 572339306 /nfs/dbraw/zinc/33/93/06/572339306.db2.gz IHHGTGWEKJKILW-CYBMUJFWSA-N 1 2 283.375 3.079 10 0 CGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000220599589 572339309 /nfs/dbraw/zinc/33/93/09/572339309.db2.gz IHHGTGWEKJKILW-CYBMUJFWSA-N 1 2 283.375 3.079 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1Cl)C2 ZINC000220591118 572554601 /nfs/dbraw/zinc/55/46/01/572554601.db2.gz 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O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[C@]2(CC=CCC2)C1 ZINC000176315614 296122289 /nfs/dbraw/zinc/12/22/89/296122289.db2.gz NGKCQLRZFJNURD-MAUKXSAKSA-N 1 2 299.418 3.109 10 0 CGAELO O=C1C2CC[NH+](CC2)[C@H]1CCCc1ccc(Cl)cc1 ZINC000026382272 368858444 /nfs/dbraw/zinc/85/84/44/368858444.db2.gz AKNMDBDOWSPBEC-HNNXBMFYSA-N 1 2 277.795 3.326 10 0 CGAELO C[C@@H]([NH2+]Cc1csnn1)c1cccc(Br)c1 ZINC000036920049 369038129 /nfs/dbraw/zinc/03/81/29/369038129.db2.gz LQZSZFGBAZNNPU-MRVPVSSYSA-N 1 2 298.209 3.151 10 0 CGAELO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1c(F)cccc1F ZINC000062999143 369633187 /nfs/dbraw/zinc/63/31/87/369633187.db2.gz WQLWFTFCTIHMBH-ABAIWWIYSA-N 1 2 277.314 3.349 10 0 CGAELO Fc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093437912 370128906 /nfs/dbraw/zinc/12/89/06/370128906.db2.gz GIGNDMQDNPVUJI-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Fc1cc(F)cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093437912 370128908 /nfs/dbraw/zinc/12/89/08/370128908.db2.gz GIGNDMQDNPVUJI-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000130155529 371015673 /nfs/dbraw/zinc/01/56/73/371015673.db2.gz GGUKCIVWMYVGOU-OAHLLOKOSA-N 1 2 255.365 3.213 10 0 CGAELO CC[C@@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000133038216 371221832 /nfs/dbraw/zinc/22/18/32/371221832.db2.gz MARAGJRWUWNORV-XJKSGUPXSA-N 1 2 282.378 3.490 10 0 CGAELO CC[C@@H](N[C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000133038216 371221839 /nfs/dbraw/zinc/22/18/39/371221839.db2.gz MARAGJRWUWNORV-XJKSGUPXSA-N 1 2 282.378 3.490 10 0 CGAELO Clc1cccc2c(N[C@H]3CCCn4ncnc43)cc[nH+]c12 ZINC000287729928 371699128 /nfs/dbraw/zinc/69/91/28/371699128.db2.gz FTWWJPLVPAMYHI-ZDUSSCGKSA-N 1 2 299.765 3.427 10 0 CGAELO CCOC(=O)[C@@]1(C)CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000154919932 371890959 /nfs/dbraw/zinc/89/09/59/371890959.db2.gz BRWOCPURHSKARG-SFHVURJKSA-N 1 2 298.386 3.323 10 0 CGAELO C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)CCS1 ZINC000171691349 372809015 /nfs/dbraw/zinc/80/90/15/372809015.db2.gz 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Clc1cccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000192787423 375789149 /nfs/dbraw/zinc/78/91/49/375789149.db2.gz UEJAVVZVZPMWAX-LBPRGKRZSA-N 1 2 288.782 3.068 10 0 CGAELO CCc1cnc(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000224317232 376275416 /nfs/dbraw/zinc/27/54/16/376275416.db2.gz SMFSZEIXYATKAP-CYBMUJFWSA-N 1 2 274.389 3.319 10 0 CGAELO C[C@H]1C[NH+](Cc2ncc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000134156404 542082112 /nfs/dbraw/zinc/08/21/12/542082112.db2.gz UXSASFDLTZLBJO-STQMWFEESA-N 1 2 288.416 3.419 10 0 CGAELO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000246936241 377122620 /nfs/dbraw/zinc/12/26/20/377122620.db2.gz AJKDUTFHYUBSQP-OCCSQVGLSA-N 1 2 288.395 3.173 10 0 CGAELO CCn1c(C)nnc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000246936241 377122630 /nfs/dbraw/zinc/12/26/30/377122630.db2.gz AJKDUTFHYUBSQP-OCCSQVGLSA-N 1 2 288.395 3.173 10 0 CGAELO C[C@@H](C[N@@H+]1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000248519496 377334961 /nfs/dbraw/zinc/33/49/61/377334961.db2.gz AZTXVLPGQADPNR-ZFWWWQNUSA-N 1 2 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Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3cccs3)CC2)o1 ZINC000117895120 370602999 /nfs/dbraw/zinc/60/29/99/370602999.db2.gz BTRCMUAIYUARGE-SNVBAGLBSA-N 1 2 275.377 3.290 10 0 CGAELO Brc1ccc(CCNc2cccc[nH+]2)o1 ZINC000132122548 371153727 /nfs/dbraw/zinc/15/37/27/371153727.db2.gz ZUKFSPHNVIRCHI-UHFFFAOYSA-N 1 2 267.126 3.092 10 0 CGAELO CC[C@@H](COC)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000153765554 371786219 /nfs/dbraw/zinc/78/62/19/371786219.db2.gz XYBRTBIFUXCMFP-NSHDSACASA-N 1 2 279.771 3.363 10 0 CGAELO CCCC[C@@H]([NH2+]C[C@@H](C)c1ccc(OC)cc1)C(=O)OC ZINC000154548065 371856032 /nfs/dbraw/zinc/85/60/32/371856032.db2.gz BPEZWNSULGGALB-CZUORRHYSA-N 1 2 293.407 3.120 10 0 CGAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nnc(CC)[nH]2)o1 ZINC000158660507 372079698 /nfs/dbraw/zinc/07/96/98/372079698.db2.gz FSCLHXQIQUSJDB-CYBMUJFWSA-N 1 2 288.395 3.250 10 0 CGAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nnc(CC)[nH]2)o1 ZINC000158660507 372079699 /nfs/dbraw/zinc/07/96/99/372079699.db2.gz FSCLHXQIQUSJDB-CYBMUJFWSA-N 1 2 288.395 3.250 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CCCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173944862 373220993 /nfs/dbraw/zinc/22/09/93/373220993.db2.gz UXWQNFVKHFUFFH-CYBMUJFWSA-N 1 2 271.364 3.240 10 0 CGAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccncc1 ZINC000174012242 373231824 /nfs/dbraw/zinc/23/18/24/373231824.db2.gz BOZGFESXLKCIAU-JTQLQIEISA-N 1 2 286.360 3.044 10 0 CGAELO CCCc1ccc(NC(=O)[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000175935197 373538553 /nfs/dbraw/zinc/53/85/53/373538553.db2.gz VPWRTTFQFTZPLB-HNNXBMFYSA-N 1 2 283.375 3.352 10 0 CGAELO O=C(CC1CCCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177776194 373708543 /nfs/dbraw/zinc/70/85/43/373708543.db2.gz YHSCOQAZRDNJSM-MRXNPFEDSA-N 1 2 289.423 3.235 10 0 CGAELO Cc1cc(NC[C@@](C)(O)c2ccsc2)nc(C(C)C)[nH+]1 ZINC000301360004 373758737 /nfs/dbraw/zinc/75/87/37/373758737.db2.gz OICHOWOQLKVHOG-OAHLLOKOSA-N 1 2 291.420 3.290 10 0 CGAELO CCCc1noc(C[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000452081629 374228764 /nfs/dbraw/zinc/22/87/64/374228764.db2.gz QUUBQYIIENCYHF-GFCCVEGCSA-N 1 2 259.353 3.181 10 0 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Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1F ZINC000090226591 165232429 /nfs/dbraw/zinc/23/24/29/165232429.db2.gz HGPGGEPDKHJGJW-OTYXRUKQSA-N 1 2 292.333 3.050 10 0 CGAELO Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000115360589 287154321 /nfs/dbraw/zinc/15/43/21/287154321.db2.gz PDSICFGKHCNKDQ-WFASDCNBSA-N 1 2 282.343 3.321 10 0 CGAELO C[C@H]1C[N@H+](Cc2ccc(Br)s2)CCS1 ZINC000122512201 287210519 /nfs/dbraw/zinc/21/05/19/287210519.db2.gz FDPTUPOOQOZRNE-QMMMGPOBSA-N 1 2 292.267 3.448 10 0 CGAELO C[C@H]1C[N@@H+](Cc2ccc(Br)s2)CCS1 ZINC000122512201 287210521 /nfs/dbraw/zinc/21/05/21/287210521.db2.gz FDPTUPOOQOZRNE-QMMMGPOBSA-N 1 2 292.267 3.448 10 0 CGAELO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000035185727 172040165 /nfs/dbraw/zinc/04/01/65/172040165.db2.gz BZFLGQUPGJNHPU-MFKMUULPSA-N 1 2 269.772 3.188 10 0 CGAELO CC(C)Oc1ccc(NC2=[NH+]C[C@H](C)S2)cc1 ZINC000035295198 172106732 /nfs/dbraw/zinc/10/67/32/172106732.db2.gz HKQNLMJVVKBDKC-JTQLQIEISA-N 1 2 250.367 3.377 10 0 CGAELO COC(=O)[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C(C)C ZINC000035346453 172138700 /nfs/dbraw/zinc/13/87/00/172138700.db2.gz RKURNLRCKLCIJB-OCCSQVGLSA-N 1 2 279.405 3.011 10 0 CGAELO COc1ccc(CC[NH2+]c2ccc(N)cc2C)cc1 ZINC000037371737 173160941 /nfs/dbraw/zinc/16/09/41/173160941.db2.gz WLGRBWPMXWYUFN-UHFFFAOYSA-N 1 2 256.349 3.240 10 0 CGAELO COc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1OC ZINC000044349241 175165737 /nfs/dbraw/zinc/16/57/37/175165737.db2.gz INJRKISABKKJLJ-LLVKDONJSA-N 1 2 258.321 3.272 10 0 CGAELO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000182928026 224676562 /nfs/dbraw/zinc/67/65/62/224676562.db2.gz JHXDWTBZPAVVGP-JSGCOSHPSA-N 1 2 288.391 3.356 10 0 CGAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000083036377 270042922 /nfs/dbraw/zinc/04/29/22/270042922.db2.gz JIXUHISUEKKVAC-CFMSYZGJSA-N 1 2 298.358 3.191 10 0 CGAELO Cc1nc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)no1 ZINC000183132745 293274662 /nfs/dbraw/zinc/27/46/62/293274662.db2.gz HQIKUXBDTMVLLJ-HNNXBMFYSA-N 1 2 271.364 3.181 10 0 CGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1Cl ZINC000177606657 293526183 /nfs/dbraw/zinc/52/61/83/293526183.db2.gz AYEPOXHFLSXDIM-IINYFYTJSA-N 1 2 290.798 3.426 10 0 CGAELO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C)n1 ZINC000020515742 302028214 /nfs/dbraw/zinc/02/82/14/302028214.db2.gz CETPGQQYHXGYKZ-GOSISDBHSA-N 1 2 277.371 3.449 10 0 CGAELO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C)n1 ZINC000020515742 302028217 /nfs/dbraw/zinc/02/82/17/302028217.db2.gz CETPGQQYHXGYKZ-GOSISDBHSA-N 1 2 277.371 3.449 10 0 CGAELO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC1 ZINC000183031145 335857241 /nfs/dbraw/zinc/85/72/41/335857241.db2.gz QVKLJYNYYCKLQX-NWDGAFQWSA-N 1 2 291.782 3.363 10 0 CGAELO CC[NH2+][C@@H](c1nnc(C2CCC2)o1)c1ccccc1 ZINC000050618121 520114846 /nfs/dbraw/zinc/11/48/46/520114846.db2.gz ZJMCJOLDMDJWNC-CYBMUJFWSA-N 1 2 257.337 3.036 10 0 CGAELO CCNc1cc(C)[nH+]c(-c2cccc(OCC)c2)n1 ZINC000050848805 520269780 /nfs/dbraw/zinc/26/97/80/520269780.db2.gz MFTUZWOHINMSDE-UHFFFAOYSA-N 1 2 257.337 3.283 10 0 CGAELO CCCc1[nH+]c(-c2ccc(Cl)cc2Cl)c(N)n1N ZINC000052839378 521466196 /nfs/dbraw/zinc/46/61/96/521466196.db2.gz MNLNVUDFYKZICU-UHFFFAOYSA-N 1 2 285.178 3.105 10 0 CGAELO COc1cc(Cl)c(NCc2c[nH+]c(C)[nH]2)cc1OC ZINC000054821914 522527966 /nfs/dbraw/zinc/52/79/66/522527966.db2.gz LTZAFIKYTPJVQD-UHFFFAOYSA-N 1 2 281.743 3.001 10 0 CGAELO COc1cc(Cl)c(NCc2c[nH]c(C)[nH+]2)cc1OC ZINC000054821914 522527972 /nfs/dbraw/zinc/52/79/72/522527972.db2.gz LTZAFIKYTPJVQD-UHFFFAOYSA-N 1 2 281.743 3.001 10 0 CGAELO CC[C@H]([NH2+][C@@H](C(=O)OC)C(C)C)c1ccc(F)cc1 ZINC000069610536 522686014 /nfs/dbraw/zinc/68/60/14/522686014.db2.gz GIRLOTZTNULSLK-UONOGXRCSA-N 1 2 267.344 3.064 10 0 CGAELO COC(=O)[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(C)C ZINC000069150273 523930923 /nfs/dbraw/zinc/93/09/23/523930923.db2.gz LXCNVCLJWMRTNM-GXFFZTMASA-N 1 2 269.772 3.188 10 0 CGAELO Cc1csc(C2CC[NH+](Cc3cc(C)on3)CC2)n1 ZINC000156729959 526330207 /nfs/dbraw/zinc/33/02/07/526330207.db2.gz RGMAFFXYYISHQL-UHFFFAOYSA-N 1 2 277.393 3.128 10 0 CGAELO Cc1nc2ccc(NCc3c[nH+]c(C)[nH]3)cc2s1 ZINC000054821756 526899141 /nfs/dbraw/zinc/89/91/41/526899141.db2.gz ZELFFLBKXDYHSM-UHFFFAOYSA-N 1 2 258.350 3.248 10 0 CGAELO Cc1nc2ccc(NCc3c[nH]c(C)[nH+]3)cc2s1 ZINC000054821756 526899147 /nfs/dbraw/zinc/89/91/47/526899147.db2.gz ZELFFLBKXDYHSM-UHFFFAOYSA-N 1 2 258.350 3.248 10 0 CGAELO CCCCc1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000116290629 535121283 /nfs/dbraw/zinc/12/12/83/535121283.db2.gz ZNRKKRMXDOSQQQ-LBPRGKRZSA-N 1 2 275.352 3.342 10 0 CGAELO CCCCc1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000116290629 535121289 /nfs/dbraw/zinc/12/12/89/535121289.db2.gz ZNRKKRMXDOSQQQ-LBPRGKRZSA-N 1 2 275.352 3.342 10 0 CGAELO CSc1cnc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000712920870 567854946 /nfs/dbraw/zinc/85/49/46/567854946.db2.gz AVCDFWDVABFUPN-SNVBAGLBSA-N 1 2 268.432 3.162 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cncc3ccccc32)o1 ZINC000230644693 623255813 /nfs/dbraw/zinc/25/58/13/623255813.db2.gz MNMSIIZDQSZWKM-GFCCVEGCSA-N 1 2 267.332 3.382 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)o1 ZINC000131104783 636557259 /nfs/dbraw/zinc/55/72/59/636557259.db2.gz AADGUVQRYSGICM-SNVBAGLBSA-N 1 2 267.760 3.134 10 0 CGAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nccn2C)o1 ZINC000124881451 187159407 /nfs/dbraw/zinc/15/94/07/187159407.db2.gz NEPMLEJKHOETJP-CQSZACIVSA-N 1 2 273.380 3.303 10 0 CGAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nccn2C)o1 ZINC000124881451 187159408 /nfs/dbraw/zinc/15/94/08/187159408.db2.gz NEPMLEJKHOETJP-CQSZACIVSA-N 1 2 273.380 3.303 10 0 CGAELO CCOC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000592180195 346969373 /nfs/dbraw/zinc/96/93/73/346969373.db2.gz BAHRLKVPDYJAHR-ZJIFWQFVSA-N 1 2 273.376 3.069 10 0 CGAELO O=Cc1ccc(OCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000137654920 346094518 /nfs/dbraw/zinc/09/45/18/346094518.db2.gz LHEQMSFQRHCPHI-UHFFFAOYSA-N 1 2 296.370 3.190 10 0 CGAELO Nc1[nH+]ccc(Oc2ccc([N+](=O)[O-])cc2F)c1Cl ZINC000145707661 346121759 /nfs/dbraw/zinc/12/17/59/346121759.db2.gz XTWYPVVDUAMHGH-UHFFFAOYSA-N 1 2 283.646 3.157 10 0 CGAELO CC(C)(C)OC(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000173689889 346236069 /nfs/dbraw/zinc/23/60/69/346236069.db2.gz PHEVUSIPUBHLKS-AWEZNQCLSA-N 1 2 299.374 3.422 10 0 CGAELO O=C1CC[N@@H+]2CCc3c4ccccc4sc3[C@@H]2C1 ZINC000196604558 346276611 /nfs/dbraw/zinc/27/66/11/346276611.db2.gz IFRDMYTVSQKAFP-ZDUSSCGKSA-N 1 2 257.358 3.163 10 0 CGAELO O=C1CC[N@H+]2CCc3c4ccccc4sc3[C@@H]2C1 ZINC000196604558 346276614 /nfs/dbraw/zinc/27/66/14/346276614.db2.gz IFRDMYTVSQKAFP-ZDUSSCGKSA-N 1 2 257.358 3.163 10 0 CGAELO CC1(C)CS[C@H](c2occc2Br)[NH2+]1 ZINC000232805888 346328256 /nfs/dbraw/zinc/32/82/56/346328256.db2.gz FSFDANXGYRDSRP-MRVPVSSYSA-N 1 2 262.172 3.156 10 0 CGAELO C[C@@H]1CCc2c1[nH+]c1ccc(Br)cn12 ZINC000228007894 346312670 /nfs/dbraw/zinc/31/26/70/346312670.db2.gz QQNSRNYXBBCBPF-SSDOTTSWSA-N 1 2 251.127 3.147 10 0 CGAELO COC(=O)[C@@H](C)c1ccc(Nc2cccc[nH+]2)c(C)c1 ZINC000584595689 346686890 /nfs/dbraw/zinc/68/68/90/346686890.db2.gz ZJJRGXOIAAJRBA-LBPRGKRZSA-N 1 2 270.332 3.410 10 0 CGAELO CC(C)(C)N1C[C@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616583599 348836401 /nfs/dbraw/zinc/83/64/01/348836401.db2.gz JZQHPMDLEBAESO-CQSZACIVSA-N 1 2 282.391 3.436 10 0 CGAELO CC(C)N1CC[C@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616590199 348837952 /nfs/dbraw/zinc/83/79/52/348837952.db2.gz LMLKBZNSURFKBG-ZDUSSCGKSA-N 1 2 267.376 3.414 10 0 CGAELO CC(C)(C)N1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616592882 348838537 /nfs/dbraw/zinc/83/85/37/348838537.db2.gz MFVPNIFWYXDMBP-CYBMUJFWSA-N 1 2 255.365 3.355 10 0 CGAELO CC(C)(C)N1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616592882 348838540 /nfs/dbraw/zinc/83/85/40/348838540.db2.gz MFVPNIFWYXDMBP-CYBMUJFWSA-N 1 2 255.365 3.355 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@@H]1c1ccc[nH+]c1N ZINC000616667054 348859748 /nfs/dbraw/zinc/85/97/48/348859748.db2.gz DPCDTBHLZZLUQR-OAHLLOKOSA-N 1 2 297.358 3.314 10 0 CGAELO CC(C)N1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616681903 348865789 /nfs/dbraw/zinc/86/57/89/348865789.db2.gz ABJBHXUNNGBYED-OAHLLOKOSA-N 1 2 268.364 3.045 10 0 CGAELO CC(C)(C)N1C[C@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616684017 348866502 /nfs/dbraw/zinc/86/65/02/348866502.db2.gz WWNNDAPLAQHRPT-CQSZACIVSA-N 1 2 282.391 3.266 10 0 CGAELO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cscn1 ZINC000104443688 186004358 /nfs/dbraw/zinc/00/43/58/186004358.db2.gz FBNKXFYYWKLIGM-NSHDSACASA-N 1 2 262.378 3.311 10 0 CGAELO CCC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)OCC ZINC000097987983 138349680 /nfs/dbraw/zinc/34/96/80/138349680.db2.gz VVGQNYIEMKAARI-HZPDHXFCSA-N 1 2 275.392 3.385 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccc2c(c1)CCC2 ZINC000177087865 189028043 /nfs/dbraw/zinc/02/80/43/189028043.db2.gz JLFUIAKIRHLMNX-HXUWFJFHSA-N 1 2 288.416 3.261 10 0 CGAELO CCOC(=O)[C@H](CC)SCc1[nH+]ccn1C(C)C ZINC000177366446 189046500 /nfs/dbraw/zinc/04/65/00/189046500.db2.gz WYIMNQWGDXQMTR-NSHDSACASA-N 1 2 270.398 3.039 10 0 CGAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000181410976 189296231 /nfs/dbraw/zinc/29/62/31/189296231.db2.gz FYSXMWLRXPPTGS-VHSXEESVSA-N 1 2 295.770 3.281 10 0 CGAELO Cc1nc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)no1 ZINC000183132725 189348104 /nfs/dbraw/zinc/34/81/04/189348104.db2.gz HQIKUXBDTMVLLJ-OAHLLOKOSA-N 1 2 271.364 3.181 10 0 CGAELO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000117884327 291283374 /nfs/dbraw/zinc/28/33/74/291283374.db2.gz PFCFNZSWFZRQTF-GDBMZVCRSA-N 1 2 285.343 3.331 10 0 CGAELO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000117884327 291283376 /nfs/dbraw/zinc/28/33/76/291283376.db2.gz PFCFNZSWFZRQTF-GDBMZVCRSA-N 1 2 285.343 3.331 10 0 CGAELO ClC(Cl)(Cl)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000184704104 294099171 /nfs/dbraw/zinc/09/91/71/294099171.db2.gz AAAWGSQVLKCYMY-UHFFFAOYSA-N 1 2 272.603 3.002 10 0 CGAELO ClC(Cl)(Cl)CC[N@H+]1CCOC2(CCC2)C1 ZINC000184704104 294099175 /nfs/dbraw/zinc/09/91/75/294099175.db2.gz AAAWGSQVLKCYMY-UHFFFAOYSA-N 1 2 272.603 3.002 10 0 CGAELO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000120598614 370784202 /nfs/dbraw/zinc/78/42/02/370784202.db2.gz DNLNELUVNDLYRN-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000120598614 370784204 /nfs/dbraw/zinc/78/42/04/370784204.db2.gz DNLNELUVNDLYRN-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Cc1ccccc1CCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121844991 370901282 /nfs/dbraw/zinc/90/12/82/370901282.db2.gz AJOFVPCWCYMXIG-INIZCTEOSA-N 1 2 284.407 3.273 10 0 CGAELO Cc1ccccc1CCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121844991 370901285 /nfs/dbraw/zinc/90/12/85/370901285.db2.gz AJOFVPCWCYMXIG-INIZCTEOSA-N 1 2 284.407 3.273 10 0 CGAELO Cc1ccccc1CCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121844991 370901289 /nfs/dbraw/zinc/90/12/89/370901289.db2.gz AJOFVPCWCYMXIG-INIZCTEOSA-N 1 2 284.407 3.273 10 0 CGAELO CCOc1ccc(OCC)c(Nc2[nH+]cccc2N)c1 ZINC000034964463 368984018 /nfs/dbraw/zinc/98/40/18/368984018.db2.gz PGHYJYBJDMGJQC-UHFFFAOYSA-N 1 2 273.336 3.205 10 0 CGAELO CCOC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000037970777 369127075 /nfs/dbraw/zinc/12/70/75/369127075.db2.gz IJINDEWPNNIPCH-CQSZACIVSA-N 1 2 281.783 3.476 10 0 CGAELO CCn1cc[nH+]c1CSc1ccc(N)cc1Cl ZINC000054743649 369506322 /nfs/dbraw/zinc/50/63/22/369506322.db2.gz QXKIROAHFXXLNJ-UHFFFAOYSA-N 1 2 267.785 3.431 10 0 CGAELO Fc1ccc(F)c(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070171 369777929 /nfs/dbraw/zinc/77/79/29/369777929.db2.gz OXBCDGPDNGLSBA-CQSZACIVSA-N 1 2 261.271 3.188 10 0 CGAELO C[C@H](c1ccc[nH]1)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000100248814 370274898 /nfs/dbraw/zinc/27/48/98/370274898.db2.gz GFZYFKSDJPPTQQ-QWHCGFSZSA-N 1 2 293.411 3.017 10 0 CGAELO C[C@H](c1ccc[nH]1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000100248814 370274901 /nfs/dbraw/zinc/27/49/01/370274901.db2.gz GFZYFKSDJPPTQQ-QWHCGFSZSA-N 1 2 293.411 3.017 10 0 CGAELO Fc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114482029 370502340 /nfs/dbraw/zinc/50/23/40/370502340.db2.gz WUUSNGHTUWIUFW-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Fc1ccc(F)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114482029 370502348 /nfs/dbraw/zinc/50/23/48/370502348.db2.gz WUUSNGHTUWIUFW-OAHLLOKOSA-N 1 2 277.318 3.415 10 0 CGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2F)cn1 ZINC000131956289 371141620 /nfs/dbraw/zinc/14/16/20/371141620.db2.gz IAHZGFNYGXRDGR-HNNXBMFYSA-N 1 2 295.308 3.175 10 0 CGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2F)cn1 ZINC000131956289 371141625 /nfs/dbraw/zinc/14/16/25/371141625.db2.gz IAHZGFNYGXRDGR-HNNXBMFYSA-N 1 2 295.308 3.175 10 0 CGAELO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)n1 ZINC000171826850 372836583 /nfs/dbraw/zinc/83/65/83/372836583.db2.gz RVZOWAPRSSLGLB-CYBMUJFWSA-N 1 2 289.404 3.274 10 0 CGAELO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)n1 ZINC000171826850 372836590 /nfs/dbraw/zinc/83/65/90/372836590.db2.gz RVZOWAPRSSLGLB-CYBMUJFWSA-N 1 2 289.404 3.274 10 0 CGAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000171987025 372875424 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CCn1cc[nH+]c1CSCc1ccn(C(C)C)n1 ZINC000083633673 249006827 /nfs/dbraw/zinc/00/68/27/249006827.db2.gz MGUSYMNECKOXTM-UHFFFAOYSA-N 1 2 264.398 3.114 10 0 CGAELO [NH3+]C1NC(c2ccc(Cc3ccccc3)cc2)=CS1 ZINC000575319678 377877559 /nfs/dbraw/zinc/87/75/59/377877559.db2.gz TZXAPTKMCAXONV-UHFFFAOYSA-N 1 2 267.377 3.318 10 0 CGAELO Cc1cccc(C)c1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176336301 397660659 /nfs/dbraw/zinc/66/06/59/397660659.db2.gz RGUIEGQNTFJPPP-OAHLLOKOSA-N 1 2 298.390 3.196 10 0 CGAELO CCC[C@@]([NH2+][C@@H](C)CC)(C(=O)OC)c1ccccc1 ZINC000038067171 174079403 /nfs/dbraw/zinc/07/94/03/174079403.db2.gz UQWDOODIJVHDSP-BBRMVZONSA-N 1 2 263.381 3.243 10 0 CGAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040680708 174375458 /nfs/dbraw/zinc/37/54/58/174375458.db2.gz IEKSGMNHUAVOHF-UHFFFAOYSA-N 1 2 293.321 3.291 10 0 CGAELO CCN(CC)c1[nH+]cnc(NC2CCCCCC2)c1N ZINC000040723354 174386145 /nfs/dbraw/zinc/38/61/45/174386145.db2.gz WQMLRYNHTPBOJD-UHFFFAOYSA-N 1 2 277.416 3.040 10 0 CGAELO Cc1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)c(C)c1 ZINC000040724297 174386650 /nfs/dbraw/zinc/38/66/50/174386650.db2.gz XYWUYTVPRCSKSB-UHFFFAOYSA-N 1 2 283.379 3.019 10 0 CGAELO COCCOc1cc(C)ccc1[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321877819 270093318 /nfs/dbraw/zinc/09/33/18/270093318.db2.gz IRWUOOUSFYQWAS-MCIONIFRSA-N 1 2 263.381 3.477 10 0 CGAELO Cc1ccc2c(c1)[C@H](Nc1[nH+]cnc3c1cnn3C)[C@H](C)C2 ZINC000180316874 281127513 /nfs/dbraw/zinc/12/75/13/281127513.db2.gz VJSOQNOIGCSEDL-IAQYHMDHSA-N 1 2 293.374 3.017 10 0 CGAELO C[N@@H+]1COC2(CCCCC2)[C@@H](c2ccc(O)cc2)C1 ZINC000077287263 290260110 /nfs/dbraw/zinc/26/01/10/290260110.db2.gz ATFIYOVTHWDOQK-OAHLLOKOSA-N 1 2 261.365 3.098 10 0 in-vitro CGAELO C[N@H+]1COC2(CCCCC2)[C@@H](c2ccc(O)cc2)C1 ZINC000077287263 290260112 /nfs/dbraw/zinc/26/01/12/290260112.db2.gz ATFIYOVTHWDOQK-OAHLLOKOSA-N 1 2 261.365 3.098 10 0 in-vitro CGAELO CCCNc1[nH+]cccc1Cn1nc(C)c(C)c1C ZINC000052733752 520196620 /nfs/dbraw/zinc/19/66/20/520196620.db2.gz QGTYYGBDOORDLM-UHFFFAOYSA-N 1 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ZMYOBWUKINCIJH-LSDHHAIUSA-N 1 2 280.799 3.066 10 0 CGAELO Nc1[nH+]cccc1COc1ccc(F)cc1Br ZINC000052734330 527567978 /nfs/dbraw/zinc/56/79/78/527567978.db2.gz ORAQREJHTBQMHK-UHFFFAOYSA-N 1 2 297.127 3.144 10 0 CGAELO FC(F)(F)c1ccc2c(cc[nH+]c2N2CCCOCC2)c1 ZINC000336194186 571832249 /nfs/dbraw/zinc/83/22/49/571832249.db2.gz DWKUBFLNFRJOAP-UHFFFAOYSA-N 1 2 296.292 3.480 10 0 CGAELO [NH3+][C@@H](c1ccccc1)c1cc(Cl)c(O)cc1F ZINC000757147601 617806974 /nfs/dbraw/zinc/80/69/74/617806974.db2.gz XUSNIHWPALVRBD-ZDUSSCGKSA-N 1 2 251.688 3.233 10 0 CGAELO CC(C)c1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702841 623184249 /nfs/dbraw/zinc/18/42/49/623184249.db2.gz QDWGONACVXSNSL-ZDUSSCGKSA-N 1 2 292.448 3.186 10 0 CGAELO CC(C)c1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000171702841 623184258 /nfs/dbraw/zinc/18/42/58/623184258.db2.gz QDWGONACVXSNSL-ZDUSSCGKSA-N 1 2 292.448 3.186 10 0 CGAELO Cc1csc([C@H]2CCC[N@H+](Cn3cc(Cl)cn3)C2)n1 ZINC000195305196 640576722 /nfs/dbraw/zinc/57/67/22/640576722.db2.gz HOCMOZOCDHONEF-NSHDSACASA-N 1 2 296.827 3.139 10 0 CGAELO Cc1csc([C@H]2CCC[N@@H+](Cn3cc(Cl)cn3)C2)n1 ZINC000195305196 640576730 /nfs/dbraw/zinc/57/67/30/640576730.db2.gz HOCMOZOCDHONEF-NSHDSACASA-N 1 2 296.827 3.139 10 0 CGAELO CCCNc1nc(N2CCCCC2)[nH+]c2ccccc21 ZINC000096205650 640825111 /nfs/dbraw/zinc/82/51/11/640825111.db2.gz XRHAQIWLYHTWIT-UHFFFAOYSA-N 1 2 270.380 3.442 10 0 CGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cn3cccnc3n2)o1 ZINC000124743643 187151752 /nfs/dbraw/zinc/15/17/52/187151752.db2.gz IIKQEFKNTMHQMY-HNNXBMFYSA-N 1 2 296.374 3.358 10 0 CGAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cn3cccnc3n2)o1 ZINC000124743643 187151753 /nfs/dbraw/zinc/15/17/53/187151753.db2.gz IIKQEFKNTMHQMY-HNNXBMFYSA-N 1 2 296.374 3.358 10 0 CGAELO COc1cc2c(cc1OC)C[C@@H](Cc1ccccc1)[NH+]=C2 ZINC000002001841 344857227 /nfs/dbraw/zinc/85/72/27/344857227.db2.gz NXGDVEFTIPYLOF-MRXNPFEDSA-N 1 2 281.355 3.290 10 0 CGAELO CC[C@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)C(N)=O ZINC000112533043 345956309 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/nfs/dbraw/zinc/83/71/11/348837111.db2.gz TVYHSGJDHOPRJA-HNNXBMFYSA-N 1 2 299.374 3.292 10 0 CGAELO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1c1c[nH]c[nH+]1 ZINC000616586539 348837115 /nfs/dbraw/zinc/83/71/15/348837115.db2.gz TVYHSGJDHOPRJA-HNNXBMFYSA-N 1 2 299.374 3.292 10 0 CGAELO COc1ccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616638175 348853906 /nfs/dbraw/zinc/85/39/06/348853906.db2.gz DUDCCVNIKHWLAE-SFHVURJKSA-N 1 2 283.371 3.269 10 0 CGAELO COc1ccc([C@@H]2COCC[N@H+]2Cc2ccccc2)cc1 ZINC000616638175 348853907 /nfs/dbraw/zinc/85/39/07/348853907.db2.gz DUDCCVNIKHWLAE-SFHVURJKSA-N 1 2 283.371 3.269 10 0 CGAELO CC[N@@H+](c1ccc(F)cc1C(N)=S)C1CCCC1 ZINC000104236793 185939709 /nfs/dbraw/zinc/93/97/09/185939709.db2.gz OVKQTPOMEARQCL-UHFFFAOYSA-N 1 2 266.385 3.229 10 0 CGAELO CC[N@H+](c1ccc(F)cc1C(N)=S)C1CCCC1 ZINC000104236793 185939711 /nfs/dbraw/zinc/93/97/11/185939711.db2.gz OVKQTPOMEARQCL-UHFFFAOYSA-N 1 2 266.385 3.229 10 0 CGAELO CCOC(=O)c1ccc(-c2c[nH+]c3ccccn32)cc1 ZINC000091691894 180227947 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ZINC000182732410 189333183 /nfs/dbraw/zinc/33/31/83/189333183.db2.gz GBKKTUZZHPIAEX-OAHLLOKOSA-N 1 2 288.370 3.104 10 0 CGAELO Fc1cccc(CCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000182732410 189333184 /nfs/dbraw/zinc/33/31/84/189333184.db2.gz GBKKTUZZHPIAEX-OAHLLOKOSA-N 1 2 288.370 3.104 10 0 CGAELO Fc1cccc(CCC[N@@H+]2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182732410 189333185 /nfs/dbraw/zinc/33/31/85/189333185.db2.gz GBKKTUZZHPIAEX-OAHLLOKOSA-N 1 2 288.370 3.104 10 0 CGAELO Fc1cccc(CCC[N@H+]2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182732410 189333186 /nfs/dbraw/zinc/33/31/86/189333186.db2.gz GBKKTUZZHPIAEX-OAHLLOKOSA-N 1 2 288.370 3.104 10 0 CGAELO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182756987 189333971 /nfs/dbraw/zinc/33/39/71/189333971.db2.gz PMWFKRSYHTYEOF-HNNXBMFYSA-N 1 2 270.380 3.094 10 0 CGAELO CCc1ccc(C[N@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182756987 189333972 /nfs/dbraw/zinc/33/39/72/189333972.db2.gz PMWFKRSYHTYEOF-HNNXBMFYSA-N 1 2 270.380 3.094 10 0 CGAELO Nc1nc(-c2ccc(C(F)(F)F)cc2)[nH+]c2c1CCC2 ZINC000050866126 283682890 /nfs/dbraw/zinc/68/28/90/283682890.db2.gz ZDBTZWUQLIAINJ-UHFFFAOYSA-N 1 2 279.265 3.233 10 0 CGAELO Cc1nc(N[C@H]2CCCCC[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000302072898 201331275 /nfs/dbraw/zinc/33/12/75/201331275.db2.gz FSELVCHPQPYZCJ-HIFRSBDPSA-N 1 2 289.423 3.017 10 0 CGAELO O=C(Cn1cc[nH+]c1)c1cccc(-c2ccccc2)c1 ZINC000013209939 368646262 /nfs/dbraw/zinc/64/62/62/368646262.db2.gz SSFJOYPKUFBQFV-UHFFFAOYSA-N 1 2 262.312 3.433 10 0 CGAELO Clc1ccc(-c2nc3cc(-n4cc[nH+]c4)ccc3[nH]2)cn1 ZINC000013651256 368660150 /nfs/dbraw/zinc/66/01/50/368660150.db2.gz KMIRYVHPEIAHOC-UHFFFAOYSA-N 1 2 295.733 3.464 10 0 CGAELO CSCCCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000123097882 370910040 /nfs/dbraw/zinc/91/00/40/370910040.db2.gz BWWDBIDEFYJXQP-ZDUSSCGKSA-N 1 2 294.468 3.268 10 0 CGAELO CSCCCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000123097882 370910041 /nfs/dbraw/zinc/91/00/41/370910041.db2.gz BWWDBIDEFYJXQP-ZDUSSCGKSA-N 1 2 294.468 3.268 10 0 CGAELO COc1ccccc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000022864705 368812583 /nfs/dbraw/zinc/81/25/83/368812583.db2.gz LKMVQGZRUPQVHB-SNVBAGLBSA-N 1 2 262.378 3.311 10 0 CGAELO Cc1ccc(O)c2[nH]c(CCc3ccccc3)[nH+]c21 ZINC000026282214 368856849 /nfs/dbraw/zinc/85/68/49/368856849.db2.gz FJVJEDDHVVQZHZ-UHFFFAOYSA-N 1 2 252.317 3.362 10 0 CGAELO Cc1ccc(O)c2[nH+]c(CCc3ccccc3)[nH]c21 ZINC000026282214 368856852 /nfs/dbraw/zinc/85/68/52/368856852.db2.gz FJVJEDDHVVQZHZ-UHFFFAOYSA-N 1 2 252.317 3.362 10 0 CGAELO CCOC(=O)c1c[nH+]c2ccccc2c1N(CC)CC ZINC000026507472 368861630 /nfs/dbraw/zinc/86/16/30/368861630.db2.gz CWAMEKGCTKMZAS-UHFFFAOYSA-N 1 2 272.348 3.258 10 0 CGAELO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C)o2)oc1C ZINC000034994202 368987598 /nfs/dbraw/zinc/98/75/98/368987598.db2.gz WGVHAACNIDEDMI-SNVBAGLBSA-N 1 2 277.320 3.127 10 0 CGAELO CC[N@H+](CC[C@@H](C)SC)Cc1noc(CC(C)C)n1 ZINC000067774132 369728711 /nfs/dbraw/zinc/72/87/11/369728711.db2.gz VIPZNQIJIQEKSK-GFCCVEGCSA-N 1 2 285.457 3.232 10 0 CGAELO CC[N@@H+](CC[C@@H](C)SC)Cc1noc(CC(C)C)n1 ZINC000067774132 369728713 /nfs/dbraw/zinc/72/87/13/369728713.db2.gz VIPZNQIJIQEKSK-GFCCVEGCSA-N 1 2 285.457 3.232 10 0 CGAELO CCCc1cc(N2CCC(=O)CC2)nc(-c2ccccc2)[nH+]1 ZINC000070452017 369799508 /nfs/dbraw/zinc/79/95/08/369799508.db2.gz GTDUCLFSODMEDM-UHFFFAOYSA-N 1 2 295.386 3.265 10 0 CGAELO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c(C)c1C ZINC000075715386 369917142 /nfs/dbraw/zinc/91/71/42/369917142.db2.gz HMWZCCPVZVQJNQ-VIFPVBQESA-N 1 2 298.477 3.049 10 0 CGAELO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c(C)c1C ZINC000075715386 369917146 /nfs/dbraw/zinc/91/71/46/369917146.db2.gz HMWZCCPVZVQJNQ-VIFPVBQESA-N 1 2 298.477 3.049 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000077369407 369946342 /nfs/dbraw/zinc/94/63/42/369946342.db2.gz YHEKEPISBOBTIW-TXEJJXNPSA-N 1 2 290.338 3.090 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000077369407 369946349 /nfs/dbraw/zinc/94/63/49/369946349.db2.gz YHEKEPISBOBTIW-TXEJJXNPSA-N 1 2 290.338 3.090 10 0 CGAELO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)o1 ZINC000131175487 371088601 /nfs/dbraw/zinc/08/86/01/371088601.db2.gz ITHTVFCDMFSDCZ-RYUDHWBXSA-N 1 2 288.395 3.182 10 0 CGAELO CC(C)n1cc[nH+]c1CSCc1nccs1 ZINC000161699439 372347385 /nfs/dbraw/zinc/34/73/85/372347385.db2.gz FNHKTFPYPRPZHV-UHFFFAOYSA-N 1 2 253.396 3.354 10 0 CGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(C3CC3)n2)cn1 ZINC000162935026 372435148 /nfs/dbraw/zinc/43/51/48/372435148.db2.gz LYXVDAZBSMWKPV-AWEZNQCLSA-N 1 2 288.420 3.091 10 0 CGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(C3CC3)n2)cn1 ZINC000162935026 372435159 /nfs/dbraw/zinc/43/51/59/372435159.db2.gz LYXVDAZBSMWKPV-AWEZNQCLSA-N 1 2 288.420 3.091 10 0 CGAELO CC(C)n1cc[nH+]c1CN(C)c1ccc(F)c(F)c1 ZINC000170958463 372688656 /nfs/dbraw/zinc/68/86/56/372688656.db2.gz CQKFHKWOONRQNF-UHFFFAOYSA-N 1 2 265.307 3.379 10 0 CGAELO CCn1cc[nH+]c1CSCc1cccc(C(=O)OC)c1 ZINC000171753257 372822261 /nfs/dbraw/zinc/82/22/61/372822261.db2.gz KITLWLLTKJCIIP-UHFFFAOYSA-N 1 2 290.388 3.123 10 0 CGAELO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000172026561 372886411 /nfs/dbraw/zinc/88/64/11/372886411.db2.gz HCCNRLJQLUWPGO-LLVKDONJSA-N 1 2 261.325 3.123 10 0 CGAELO CC(C)c1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000172026561 372886420 /nfs/dbraw/zinc/88/64/20/372886420.db2.gz HCCNRLJQLUWPGO-LLVKDONJSA-N 1 2 261.325 3.123 10 0 CGAELO C[C@@H](NC(=O)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912223 373213406 /nfs/dbraw/zinc/21/34/06/373213406.db2.gz NEHMIKOTQSZWBM-CYBMUJFWSA-N 1 2 285.391 3.486 10 0 CGAELO Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000173949001 373222930 /nfs/dbraw/zinc/22/29/30/373222930.db2.gz RITANAPQFVTISM-ZDUSSCGKSA-N 1 2 295.342 3.265 10 0 CGAELO CC(C)c1nc(C2([NH2+]C/C=C/Cl)CCCC2)no1 ZINC000174241552 373274325 /nfs/dbraw/zinc/27/43/25/373274325.db2.gz XAXWANFXWRZJRI-VMPITWQZSA-N 1 2 269.776 3.304 10 0 CGAELO CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174013220 373232125 /nfs/dbraw/zinc/23/21/25/373232125.db2.gz ZYVOTQFBGIVBTG-OLZOCXBDSA-N 1 2 286.379 3.031 10 0 CGAELO CC[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174013260 373232227 /nfs/dbraw/zinc/23/22/27/373232227.db2.gz ZYVOTQFBGIVBTG-QWHCGFSZSA-N 1 2 286.379 3.031 10 0 CGAELO CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177775135 373709591 /nfs/dbraw/zinc/70/95/91/373709591.db2.gz NFAOCECNQYBWSQ-CVEARBPZSA-N 1 2 291.439 3.481 10 0 CGAELO Cc1noc2ncnc(Nc3ccc4c(c3)CCC[NH2+]4)c12 ZINC000071214894 541895193 /nfs/dbraw/zinc/89/51/93/541895193.db2.gz JUWSVMSOAUCCFP-UHFFFAOYSA-N 1 2 281.319 3.028 10 0 CGAELO CCCCC[C@H](CC)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000181209638 374095223 /nfs/dbraw/zinc/09/52/23/374095223.db2.gz VQNUUECUNPOYON-HOTGVXAUSA-N 1 2 291.439 3.481 10 0 CGAELO CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000181209622 374095405 /nfs/dbraw/zinc/09/54/05/374095405.db2.gz VQNUUECUNPOYON-CVEARBPZSA-N 1 2 291.439 3.481 10 0 CGAELO CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)OC ZINC000181502718 374133373 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c1cn(-c2ccccc2)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000191254102 375602128 /nfs/dbraw/zinc/60/21/28/375602128.db2.gz XOHMUGGBQYRSRT-DLBZAZTESA-N 1 2 297.402 3.016 10 0 CGAELO c1cn(-c2ccccc2)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000191254102 375602132 /nfs/dbraw/zinc/60/21/32/375602132.db2.gz XOHMUGGBQYRSRT-DLBZAZTESA-N 1 2 297.402 3.016 10 0 CGAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1csc(Cl)c1 ZINC000191332602 375611366 /nfs/dbraw/zinc/61/13/66/375611366.db2.gz OQWAQORWJATRPI-WCBMZHEXSA-N 1 2 282.800 3.179 10 0 CGAELO CCc1nnc(C[NH2+][C@@H](C)c2cccc(Cl)c2)o1 ZINC000193207457 375840117 /nfs/dbraw/zinc/84/01/17/375840117.db2.gz PNNAMPZNJLGXEO-VIFPVBQESA-N 1 2 265.744 3.136 10 0 CGAELO C=Cn1cc(C[N@H+]2CCC[C@H]2c2csc(C)n2)cn1 ZINC000194757387 376040401 /nfs/dbraw/zinc/04/04/01/376040401.db2.gz VUJAEOURYRADTM-AWEZNQCLSA-N 1 2 274.393 3.086 10 0 CGAELO C=Cn1cc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)cn1 ZINC000194757387 376040405 /nfs/dbraw/zinc/04/04/05/376040405.db2.gz VUJAEOURYRADTM-AWEZNQCLSA-N 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Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000187265137 374994266 /nfs/dbraw/zinc/99/42/66/374994266.db2.gz SKQPEPKLRGJSSJ-LLVKDONJSA-N 1 2 265.744 3.004 10 0 CGAELO Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000187265137 374994275 /nfs/dbraw/zinc/99/42/75/374994275.db2.gz SKQPEPKLRGJSSJ-LLVKDONJSA-N 1 2 265.744 3.004 10 0 CGAELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1C ZINC000191019655 375564017 /nfs/dbraw/zinc/56/40/17/375564017.db2.gz MRLVVGWKIBCHBD-OAHLLOKOSA-N 1 2 270.380 3.149 10 0 CGAELO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1C ZINC000191019655 375564022 /nfs/dbraw/zinc/56/40/22/375564022.db2.gz MRLVVGWKIBCHBD-OAHLLOKOSA-N 1 2 270.380 3.149 10 0 CGAELO Fc1ccc(F)c([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000191673061 375651328 /nfs/dbraw/zinc/65/13/28/375651328.db2.gz CKVKFUAATQYBML-NSHDSACASA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(F)c([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000191673061 375651331 /nfs/dbraw/zinc/65/13/31/375651331.db2.gz CKVKFUAATQYBML-NSHDSACASA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(F)c([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)c1 ZINC000191673061 375651335 /nfs/dbraw/zinc/65/13/35/375651335.db2.gz CKVKFUAATQYBML-NSHDSACASA-N 1 2 277.318 3.068 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncccn2)o1 ZINC000192039978 375691703 /nfs/dbraw/zinc/69/17/03/375691703.db2.gz IRMCFWCJFSGIDE-AWEZNQCLSA-N 1 2 271.364 3.359 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2ncccn2)o1 ZINC000192039978 375691706 /nfs/dbraw/zinc/69/17/06/375691706.db2.gz IRMCFWCJFSGIDE-AWEZNQCLSA-N 1 2 271.364 3.359 10 0 CGAELO CCc1noc([C@@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)n1 ZINC000192359068 375738077 /nfs/dbraw/zinc/73/80/77/375738077.db2.gz CAHJDMYIWIASSD-ZWNOBZJWSA-N 1 2 287.363 3.066 10 0 CGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)no1 ZINC000193843646 375929496 /nfs/dbraw/zinc/92/94/96/375929496.db2.gz OOGODHUCABPPBG-STQMWFEESA-N 1 2 277.368 3.023 10 0 CGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)no1 ZINC000193843646 375929497 /nfs/dbraw/zinc/92/94/97/375929497.db2.gz OOGODHUCABPPBG-STQMWFEESA-N 1 2 277.368 3.023 10 0 CGAELO CC1(C)C[C@@H]([NH2+]Cc2ccon2)c2ccccc2O1 ZINC000148744231 542097497 /nfs/dbraw/zinc/09/74/97/542097497.db2.gz JMYSNOUQXMACGA-CYBMUJFWSA-N 1 2 258.321 3.067 10 0 CGAELO CC(C)c1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000248491395 377330092 /nfs/dbraw/zinc/33/00/92/377330092.db2.gz NYWTWZQCILODOE-CHWSQXEVSA-N 1 2 280.437 3.410 10 0 CGAELO CC(C)c1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000248491395 377330099 /nfs/dbraw/zinc/33/00/99/377330099.db2.gz NYWTWZQCILODOE-CHWSQXEVSA-N 1 2 280.437 3.410 10 0 CGAELO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(Cl)s1 ZINC000182960352 542226958 /nfs/dbraw/zinc/22/69/58/542226958.db2.gz RBSGEOJXIJPLJE-QMMMGPOBSA-N 1 2 296.827 3.258 10 0 CGAELO C[C@@H]1C[NH2+][C@@H](c2ccsc2Br)S1 ZINC000575542422 377918027 /nfs/dbraw/zinc/91/80/27/377918027.db2.gz SJNQKDZBSOWBHB-SVGQVSJJSA-N 1 2 264.213 3.234 10 0 CGAELO Cc1cc2ccccc2[nH+]c1N1CCCC[C@H](CO)C1 ZINC000370551257 379032697 /nfs/dbraw/zinc/03/26/97/379032697.db2.gz FDRCATALGZXGJH-AWEZNQCLSA-N 1 2 270.376 3.142 10 0 CGAELO Cc1ccc([C@H](C)[N@H+](C)Cc2nnc(C3CC3)n2C)cc1 ZINC000195082368 392956009 /nfs/dbraw/zinc/95/60/09/392956009.db2.gz FMEHPHDLFNSPIG-ZDUSSCGKSA-N 1 2 284.407 3.194 10 0 CGAELO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(C3CC3)n2C)cc1 ZINC000195082368 392956013 /nfs/dbraw/zinc/95/60/13/392956013.db2.gz FMEHPHDLFNSPIG-ZDUSSCGKSA-N 1 2 284.407 3.194 10 0 CGAELO Cc1cc([NH2+]CCCF)c(Br)cc1N ZINC000306614290 397678525 /nfs/dbraw/zinc/67/85/25/397678525.db2.gz LTJOBOXYRYCQGG-UHFFFAOYSA-N 1 2 261.138 3.111 10 0 CGAELO COc1cc2c(cc1OC)C(c1ccc(C)cc1)=[NH+]CC2 ZINC000032099111 286257847 /nfs/dbraw/zinc/25/78/47/286257847.db2.gz YGLKVQPJAUSVRD-UHFFFAOYSA-N 1 2 281.355 3.406 10 0 CGAELO COc1ccc(C[C@@H](C)Nc2c[nH+]ccc2C)cc1 ZINC000071413655 286993736 /nfs/dbraw/zinc/99/37/36/286993736.db2.gz MPHAORQTGYGINZ-CYBMUJFWSA-N 1 2 256.349 3.442 10 0 CGAELO Cc1cnc(C[NH+]2CCC(Nc3ccccc3F)CC2)o1 ZINC000072688184 165076441 /nfs/dbraw/zinc/07/64/41/165076441.db2.gz ATTBYWQRVRBKEL-UHFFFAOYSA-N 1 2 289.354 3.199 10 0 CGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000090223382 165232319 /nfs/dbraw/zinc/23/23/19/165232319.db2.gz FWEMIBHRHIDTRI-XPTSAGLGSA-N 1 2 292.333 3.050 10 0 CGAELO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000248344404 287209284 /nfs/dbraw/zinc/20/92/84/287209284.db2.gz LNOLWBUAHVPRIC-RDBSUJKOSA-N 1 2 289.423 3.092 10 0 CGAELO CC1(C)Cc2cccc(Oc3cc[nH+]cc3N)c2O1 ZINC000020370581 171167856 /nfs/dbraw/zinc/16/78/56/171167856.db2.gz LFUCDIOMCLGHJE-UHFFFAOYSA-N 1 2 256.305 3.170 10 0 CGAELO O=C(C[NH+]1CCCCCCC1)c1ccc(F)cc1F ZINC000035036196 171942194 /nfs/dbraw/zinc/94/21/94/171942194.db2.gz DEUHUAWWAZPVAX-UHFFFAOYSA-N 1 2 267.319 3.414 10 0 CGAELO Cc1ccc(OCCSc2ccc(N)[nH+]c2)cc1 ZINC000037192458 173022151 /nfs/dbraw/zinc/02/21/51/173022151.db2.gz FRCDHSKSVGBXHB-UHFFFAOYSA-N 1 2 260.362 3.143 10 0 CGAELO COc1ccc(Cl)cc1CNc1ccc[nH+]c1N(C)C ZINC000038051557 174062795 /nfs/dbraw/zinc/06/27/95/174062795.db2.gz XSFKELZCTHWIOU-UHFFFAOYSA-N 1 2 291.782 3.422 10 0 CGAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067048 174078408 /nfs/dbraw/zinc/07/84/08/174078408.db2.gz WBFOFDVRRPQPMW-YGRLFVJLSA-N 1 2 269.772 3.116 10 0 CGAELO CC[C@@H](C)[NH2+][C@@](C(=O)OC)(c1ccccc1)C(C)C ZINC000038067342 174079152 /nfs/dbraw/zinc/07/91/52/174079152.db2.gz YLRCEYKQABQBQT-CZUORRHYSA-N 1 2 263.381 3.099 10 0 CGAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccc(C)cc1 ZINC000038067744 174080188 /nfs/dbraw/zinc/08/01/88/174080188.db2.gz ANEUHYINLQSVMN-CZUORRHYSA-N 1 2 263.381 3.161 10 0 CGAELO COCCn1c(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040404428 174253602 /nfs/dbraw/zinc/25/36/02/174253602.db2.gz RAKHDJFJHMHTSN-UHFFFAOYSA-N 1 2 258.243 3.010 10 0 CGAELO O[C@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612477 177360056 /nfs/dbraw/zinc/36/00/56/177360056.db2.gz XZXNXLKKXJZHHT-ONGXEEELSA-N 1 2 274.286 3.063 10 0 CGAELO CCCc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000128295980 416512965 /nfs/dbraw/zinc/51/29/65/416512965.db2.gz SYYVIIPAPUYCLF-LBPRGKRZSA-N 1 2 259.353 3.181 10 0 CGAELO CCn1cc[nH+]c1CNc1cccc(Br)c1F ZINC000656674611 419197463 /nfs/dbraw/zinc/19/74/63/419197463.db2.gz XFJGEBUFOLAUAI-UHFFFAOYSA-N 1 2 298.159 3.417 10 0 CGAELO C[C@@H](NC(=O)[C@H]1CC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000125869967 270051698 /nfs/dbraw/zinc/05/16/98/270051698.db2.gz IVRJQZCDNRHVMJ-IUODEOHRSA-N 1 2 283.375 3.096 10 0 CGAELO CC(C)c1[nH+]c2c(n1C)CCN(c1cccc(Cl)n1)C2 ZINC000192792326 278076284 /nfs/dbraw/zinc/07/62/84/278076284.db2.gz OEBVNOHHBXYVRW-UHFFFAOYSA-N 1 2 290.798 3.155 10 0 CGAELO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398422826 288044163 /nfs/dbraw/zinc/04/41/63/288044163.db2.gz QRFQJBAJJKOPBZ-GHMZBOCLSA-N 1 2 277.393 3.349 10 0 CGAELO Cc1cc(N[C@@H]2CCCn3ncnc32)c2cccc(F)c2[nH+]1 ZINC000129220572 280629423 /nfs/dbraw/zinc/62/94/23/280629423.db2.gz BJBCCVGXDKXYOX-CYBMUJFWSA-N 1 2 297.337 3.221 10 0 CGAELO CCCNc1cc(C)[nH+]c(Cc2ccc(F)cc2)n1 ZINC000050849081 520135811 /nfs/dbraw/zinc/13/58/11/520135811.db2.gz JJNWWHQWCDBNAH-UHFFFAOYSA-N 1 2 259.328 3.337 10 0 CGAELO CC(C)c1cc(N)nc(Cc2ccc(Cl)cc2)[nH+]1 ZINC000050846442 519833132 /nfs/dbraw/zinc/83/31/32/519833132.db2.gz ZGNICFNSYPZSHE-UHFFFAOYSA-N 1 2 261.756 3.426 10 0 CGAELO Cc1cc(N)nc(Cc2ccc(Cl)cc2Cl)[nH+]1 ZINC000050845081 525040376 /nfs/dbraw/zinc/04/03/76/525040376.db2.gz ROZZVDNUZVJXLT-UHFFFAOYSA-N 1 2 268.147 3.265 10 0 CGAELO C[C@@H]([NH2+]C1COC1)c1cc(F)c(Cl)cc1Cl ZINC000087194884 525403797 /nfs/dbraw/zinc/40/37/97/525403797.db2.gz KEJMJWDLBWLCFK-ZCFIWIBFSA-N 1 2 264.127 3.182 10 0 CGAELO Cn1c2cc(F)ccc2[nH+]c1Cc1ccc(O)cc1 ZINC000052124581 527093750 /nfs/dbraw/zinc/09/37/50/527093750.db2.gz KZJPSPRPZBMVAF-UHFFFAOYSA-N 1 2 256.280 3.009 10 0 CGAELO CC(C)n1cc[nH+]c1CNc1cccc2c1OCCC2 ZINC000363889869 528607907 /nfs/dbraw/zinc/60/79/07/528607907.db2.gz OFFLBZVMLXKYAK-UHFFFAOYSA-N 1 2 271.364 3.401 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(Cl)cc1)C2 ZINC000220591527 572427808 /nfs/dbraw/zinc/42/78/08/572427808.db2.gz NYKMJZZFVFDFBU-SNVBAGLBSA-N 1 2 289.766 3.115 10 0 CGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000220591527 572427811 /nfs/dbraw/zinc/42/78/11/572427811.db2.gz NYKMJZZFVFDFBU-SNVBAGLBSA-N 1 2 289.766 3.115 10 0 CGAELO Cc1cc2c(nc(N3CCCC3)[nH+]c2N2CCC[C@@H](C)C2)[nH]1 ZINC000223926694 622868265 /nfs/dbraw/zinc/86/82/65/622868265.db2.gz AKNCDKVOIMMFGG-GFCCVEGCSA-N 1 2 299.422 3.103 10 0 CGAELO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ncc[nH]1 ZINC000139091149 637714194 /nfs/dbraw/zinc/71/41/94/637714194.db2.gz KTQFVDBXHVMITO-RKDXNWHRSA-N 1 2 251.280 3.100 10 0 CGAELO CNc1nc(NCCc2ccc(C)o2)[nH+]c2ccccc21 ZINC000096195159 640824301 /nfs/dbraw/zinc/82/43/01/640824301.db2.gz IMNXPGBJFLGXQC-UHFFFAOYSA-N 1 2 282.347 3.228 10 0 CGAELO C[C@@H]1C[NH+](Cc2ccc(CSC(F)F)o2)C[C@@H](C)O1 ZINC000126886625 187267558 /nfs/dbraw/zinc/26/75/58/187267558.db2.gz MFXRBZDYRVFRED-NXEZZACHSA-N 1 2 291.363 3.345 10 0 CGAELO Cc1cn(-c2ccc3nc(-c4ccoc4)ncc3c2)c[nH+]1 ZINC000117467290 345984453 /nfs/dbraw/zinc/98/44/53/345984453.db2.gz YWDZMENNEFHMOI-UHFFFAOYSA-N 1 2 276.299 3.384 10 0 CGAELO COc1cccc(-c2cccc3c(N)[nH+]ccc32)c1 ZINC000141235135 346107939 /nfs/dbraw/zinc/10/79/39/346107939.db2.gz BHVKLMFYSQSTAA-UHFFFAOYSA-N 1 2 250.301 3.493 10 0 CGAELO CC1(c2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000228008772 346312373 /nfs/dbraw/zinc/31/23/73/346312373.db2.gz PEVGTIHTMKTJTK-UHFFFAOYSA-N 1 2 251.127 3.148 10 0 CGAELO C[NH2+][C@H](c1nccs1)c1sccc1Br ZINC000228011750 346312380 /nfs/dbraw/zinc/31/23/80/346312380.db2.gz PPPGMRQYPODDOU-ZETCQYMHSA-N 1 2 289.223 3.276 10 0 CGAELO Cc1cc(OCc2ccccc2)ccc1C(=O)C[NH+]1CCC1 ZINC000309780686 346470492 /nfs/dbraw/zinc/47/04/92/346470492.db2.gz KVJBZAKETRWXSG-UHFFFAOYSA-N 1 2 295.382 3.462 10 0 CGAELO C[N@@H+]1CCO[C@@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616677680 348864017 /nfs/dbraw/zinc/86/40/17/348864017.db2.gz 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1 2 257.362 3.076 10 0 CGAELO C[C@@H]([NH2+]C1COC1)c1c(Cl)ccc(F)c1Cl ZINC000087194495 525404079 /nfs/dbraw/zinc/40/40/79/525404079.db2.gz QZARSLUNSHFYPI-ZCFIWIBFSA-N 1 2 264.127 3.182 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(Cl)c1)C2 ZINC000220591279 572427332 /nfs/dbraw/zinc/42/73/32/572427332.db2.gz FPFMZGQEOBBAHC-JTQLQIEISA-N 1 2 289.766 3.115 10 0 CGAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(Cl)c1)CC2 ZINC000220591279 572427334 /nfs/dbraw/zinc/42/73/34/572427334.db2.gz FPFMZGQEOBBAHC-JTQLQIEISA-N 1 2 289.766 3.115 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)c(C)nn2C)o1 ZINC000089232044 623637381 /nfs/dbraw/zinc/63/73/81/623637381.db2.gz IAIBGOLSOZGTMN-SECBINFHSA-N 1 2 267.760 3.134 10 0 CGAELO CC[NH2+]Cc1noc(C2(CC(C)C)CCCC2)n1 ZINC000094908510 640804396 /nfs/dbraw/zinc/80/43/96/640804396.db2.gz BQXNMAVSGSDZRI-UHFFFAOYSA-N 1 2 251.374 3.037 10 0 CGAELO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127707372 187327741 /nfs/dbraw/zinc/32/77/41/187327741.db2.gz 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Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000090227598 370061007 /nfs/dbraw/zinc/06/10/07/370061007.db2.gz MPDVKTFJLDZDER-LKFCYVNXSA-N 1 2 292.333 3.050 10 0 CGAELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000114745576 370510248 /nfs/dbraw/zinc/51/02/48/370510248.db2.gz ACRFZAPZEAJJIP-NWDGAFQWSA-N 1 2 259.353 3.352 10 0 CGAELO C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CCS1 ZINC000131423899 371107355 /nfs/dbraw/zinc/10/73/55/371107355.db2.gz ADCCPEGSTXQBJN-VIFPVBQESA-N 1 2 259.777 3.416 10 0 CGAELO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CCS1 ZINC000131423899 371107359 /nfs/dbraw/zinc/10/73/59/371107359.db2.gz ADCCPEGSTXQBJN-VIFPVBQESA-N 1 2 259.777 3.416 10 0 CGAELO Cc1csc(C2CC[NH+](Cc3nccs3)CC2)n1 ZINC000135020498 371384048 /nfs/dbraw/zinc/38/40/48/371384048.db2.gz XCDMPTXRLOAADF-UHFFFAOYSA-N 1 2 279.434 3.288 10 0 CGAELO O[C@@H]1CCCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000135807939 371450291 /nfs/dbraw/zinc/45/02/91/371450291.db2.gz IVFLGZQCGGRADT-HUUCEWRRSA-N 1 2 256.349 3.340 10 0 CGAELO C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)O1 ZINC000151177908 371579768 /nfs/dbraw/zinc/57/97/68/371579768.db2.gz PSBBIDSEEQOVSH-MLGOLLRUSA-N 1 2 298.342 3.380 10 0 CGAELO Cc1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)no1 ZINC000163107741 372447172 /nfs/dbraw/zinc/44/71/72/372447172.db2.gz HDUKKPDQDAHSCH-AWEZNQCLSA-N 1 2 272.348 3.375 10 0 CGAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc2ccccc2o1 ZINC000164799288 372533438 /nfs/dbraw/zinc/53/34/38/372533438.db2.gz MPRVBFHTLSVDRO-DGCLKSJQSA-N 1 2 282.347 3.210 10 0 CGAELO C[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CCS1 ZINC000171703056 372813558 /nfs/dbraw/zinc/81/35/58/372813558.db2.gz ILXCBJCKFBEIJS-VIFPVBQESA-N 1 2 259.777 3.416 10 0 CGAELO C[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CCS1 ZINC000171703056 372813564 /nfs/dbraw/zinc/81/35/64/372813564.db2.gz ILXCBJCKFBEIJS-VIFPVBQESA-N 1 2 259.777 3.416 10 0 CGAELO C[C@@H](NC(=O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948483 373224523 /nfs/dbraw/zinc/22/45/23/373224523.db2.gz QUEQLUQCTCMEEX-GFCCVEGCSA-N 1 2 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Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nnc(C)o2)o1 ZINC000124651868 187147558 /nfs/dbraw/zinc/14/75/58/187147558.db2.gz IVABJODPFAALAC-GFCCVEGCSA-N 1 2 261.325 3.007 10 0 CGAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nnc(C)o2)o1 ZINC000124651868 187147559 /nfs/dbraw/zinc/14/75/59/187147559.db2.gz IVABJODPFAALAC-GFCCVEGCSA-N 1 2 261.325 3.007 10 0 CGAELO Cc1cc(NC[C@H]2CCC[C@H]2O)c2cccc(F)c2[nH+]1 ZINC000127873205 187338126 /nfs/dbraw/zinc/33/81/26/187338126.db2.gz RFROTQDCIWFNPD-IAQYHMDHSA-N 1 2 274.339 3.255 10 0 CGAELO CCCc1[nH+]c2ccc(Br)cc2n1C ZINC000223456671 346300811 /nfs/dbraw/zinc/30/08/11/346300811.db2.gz DDJWBMYYGCDROL-UHFFFAOYSA-N 1 2 253.143 3.288 10 0 CGAELO CC(C)(C)OC(=O)N1CCCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616624162 348849892 /nfs/dbraw/zinc/84/98/92/348849892.db2.gz VVSCKTGIFZWDJM-ZDUSSCGKSA-N 1 2 291.395 3.346 10 0 CGAELO CC(=O)c1ccccc1NCc1[nH+]ccn1C(C)C ZINC000123662960 187103858 /nfs/dbraw/zinc/10/38/58/187103858.db2.gz YCUNHKKGKSFQPN-UHFFFAOYSA-N 1 2 257.337 3.279 10 0 CGAELO 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263.385 3.278 10 0 CGAELO CO[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301800110 201206085 /nfs/dbraw/zinc/20/60/85/201206085.db2.gz VUCDXEQDHZPWNT-MNOVXSKESA-N 1 2 274.286 3.470 10 0 CGAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1Oc1cccnc1 ZINC000120884201 370810153 /nfs/dbraw/zinc/81/01/53/370810153.db2.gz JFIVWLGXPRCFMW-HUUCEWRRSA-N 1 2 298.386 3.483 10 0 CGAELO CCc1nnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1C ZINC000124535706 370924866 /nfs/dbraw/zinc/92/48/66/370924866.db2.gz DQFYIKXMHIHBHN-MRXNPFEDSA-N 1 2 298.434 3.413 10 0 CGAELO CCc1nnc(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1C ZINC000124535706 370924873 /nfs/dbraw/zinc/92/48/73/370924873.db2.gz DQFYIKXMHIHBHN-MRXNPFEDSA-N 1 2 298.434 3.413 10 0 CGAELO c1ccc(CNc2ccc[nH+]c2N2CCCC2)cc1 ZINC000036934042 369040102 /nfs/dbraw/zinc/04/01/02/369040102.db2.gz KIWWTAMADLQWFI-UHFFFAOYSA-N 1 2 253.349 3.294 10 0 CGAELO CN(C)C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1 ZINC000111037905 370391589 /nfs/dbraw/zinc/39/15/89/370391589.db2.gz 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/nfs/dbraw/zinc/16/49/54/170164954.db2.gz DSDJGZZQAUENDD-UHFFFAOYSA-N 1 2 286.335 3.085 10 0 CGAELO CCOc1ccc(Nc2[nH+]cccc2N)cc1OCC ZINC000020317838 171147705 /nfs/dbraw/zinc/14/77/05/171147705.db2.gz VIKFWHNVGGHUAK-UHFFFAOYSA-N 1 2 273.336 3.205 10 0 CGAELO O=C(Cc1[nH]cc[nH+]1)c1cc2c(s1)CCCCC2 ZINC000035369688 172161520 /nfs/dbraw/zinc/16/15/20/172161520.db2.gz QNPOGRSKZVAPAW-UHFFFAOYSA-N 1 2 260.362 3.166 10 0 CGAELO CCCOc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000126887771 287276178 /nfs/dbraw/zinc/27/61/78/287276178.db2.gz KDISXPWNHPARQN-ZIAGYGMSSA-N 1 2 293.407 3.093 10 0 CGAELO Cc1ccc(-n2c(N)[nH+]c3c2cccc3F)cc1C ZINC000037421361 173198217 /nfs/dbraw/zinc/19/82/17/173198217.db2.gz SMSLTUDONAFENQ-UHFFFAOYSA-N 1 2 255.296 3.364 10 0 CGAELO CCCc1ccc([C@](C)([NH2+]CC)C(=O)OCC)cc1 ZINC000037447123 173214258 /nfs/dbraw/zinc/21/42/58/173214258.db2.gz DGGOXFMNUBSQNQ-INIZCTEOSA-N 1 2 263.381 3.027 10 0 CGAELO CCC[NH2+][C@](C)(C(=O)OC)c1ccc(CCC)cc1 ZINC000037459195 173224272 /nfs/dbraw/zinc/22/42/72/173224272.db2.gz VJFAIUMJMVWPOL-INIZCTEOSA-N 1 2 263.381 3.027 10 0 CGAELO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cc[nH]n1 ZINC000037907228 173838902 /nfs/dbraw/zinc/83/89/02/173838902.db2.gz PAYMFURPHAPUJO-RKDXNWHRSA-N 1 2 251.280 3.100 10 0 CGAELO Cc1noc(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)n1 ZINC000038034029 174032256 /nfs/dbraw/zinc/03/22/56/174032256.db2.gz WPUKAZKWNPYVDR-QMMMGPOBSA-N 1 2 294.424 3.291 10 0 CGAELO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000038066854 174078054 /nfs/dbraw/zinc/07/80/54/174078054.db2.gz PODYEMVGGKGPDW-UKRRQHHQSA-N 1 2 263.381 3.214 10 0 CGAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(SC)cc1 ZINC000038066801 174078638 /nfs/dbraw/zinc/07/86/38/174078638.db2.gz XRIHWBWANIYJAL-GXFFZTMASA-N 1 2 267.394 3.011 10 0 CGAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccc(CC)cc1 ZINC000038067561 174079130 /nfs/dbraw/zinc/07/91/30/174079130.db2.gz MHPUHVPJFZZELS-SWLSCSKDSA-N 1 2 263.381 3.241 10 0 CGAELO O=C1c2c(Cl)cc(Cl)cc2OC[C@@H]1n1cc[nH+]c1 ZINC000039139950 174164166 /nfs/dbraw/zinc/16/41/66/174164166.db2.gz CZVYCCDLIGGKML-VIFPVBQESA-N 1 2 283.114 3.006 10 0 CGAELO CCOc1ccccc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040708356 174380269 /nfs/dbraw/zinc/38/02/69/174380269.db2.gz FZPXANDSXQUHDD-UHFFFAOYSA-N 1 2 287.367 3.021 10 0 CGAELO CCCCC[C@H](C)Nc1[nH+]cccc1C(N)=S ZINC000042573455 174801034 /nfs/dbraw/zinc/80/10/34/174801034.db2.gz IPSIKCQNBQGHIM-JTQLQIEISA-N 1 2 251.399 3.097 10 0 CGAELO Cc1nc2sccn2c1CNc1c[nH+]ccc1C ZINC000071413733 176159056 /nfs/dbraw/zinc/15/90/56/176159056.db2.gz NZHHNUMYBVMWDO-UHFFFAOYSA-N 1 2 258.350 3.020 10 0 CGAELO CCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000038034449 260124675 /nfs/dbraw/zinc/12/46/75/260124675.db2.gz WYVASTIGRMMXPI-LLVKDONJSA-N 1 2 275.352 3.018 10 0 CGAELO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398422831 288044216 /nfs/dbraw/zinc/04/42/16/288044216.db2.gz QRFQJBAJJKOPBZ-WDEREUQCSA-N 1 2 277.393 3.349 10 0 CGAELO 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3.415 10 0 CGAELO CCc1ccc(-c2nc(NC)c3c([nH+]2)CCC3)cc1 ZINC000050847619 523861719 /nfs/dbraw/zinc/86/17/19/523861719.db2.gz RLXMSXUIZKTVLF-UHFFFAOYSA-N 1 2 253.349 3.236 10 0 CGAELO Fc1cc([C@@H]([NH2+]C2CC2)c2nccs2)cc(F)c1F ZINC000062719884 526310070 /nfs/dbraw/zinc/31/00/70/526310070.db2.gz SLGDJTNFPZUGFY-GFCCVEGCSA-N 1 2 284.306 3.402 10 0 CGAELO Nc1cc(C(F)F)[nH+]c2ccc(OC(F)F)cc12 ZINC000061629742 527448721 /nfs/dbraw/zinc/44/87/21/527448721.db2.gz LRXCTEGWBFTCPS-UHFFFAOYSA-N 1 2 260.190 3.356 10 0 CGAELO CCCCc1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116290625 535120794 /nfs/dbraw/zinc/12/07/94/535120794.db2.gz ZNRKKRMXDOSQQQ-GFCCVEGCSA-N 1 2 275.352 3.342 10 0 CGAELO CCCCc1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116290625 535120802 /nfs/dbraw/zinc/12/08/02/535120802.db2.gz ZNRKKRMXDOSQQQ-GFCCVEGCSA-N 1 2 275.352 3.342 10 0 CGAELO CCn1c(C)nnc1COc1cc(C)[nH+]c2ccccc21 ZINC000192193119 535975702 /nfs/dbraw/zinc/97/57/02/535975702.db2.gz WIBUWGHWJUECEV-UHFFFAOYSA-N 1 2 282.347 3.042 10 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10 0 CGAELO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000060105311 345211027 /nfs/dbraw/zinc/21/10/27/345211027.db2.gz BHDOXAWOKHQWBT-SFHVURJKSA-N 1 2 295.382 3.160 10 0 CGAELO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000060105311 345211028 /nfs/dbraw/zinc/21/10/28/345211028.db2.gz BHDOXAWOKHQWBT-SFHVURJKSA-N 1 2 295.382 3.160 10 0 CGAELO CC[C@@]1(c2cccc(-c3cccnc3)c2)N=C(C)C(=[NH2+])N1 ZINC000114869281 345967505 /nfs/dbraw/zinc/96/75/05/345967505.db2.gz GRJWZPJMTVMJSW-QGZVFWFLSA-N 1 2 278.359 3.143 10 0 CGAELO CC(C)c1ccn(-c2cc[nH+]cc2Br)n1 ZINC000164092554 346182545 /nfs/dbraw/zinc/18/25/45/346182545.db2.gz PWAUXFOKWRAAJZ-UHFFFAOYSA-N 1 2 266.142 3.153 10 0 CGAELO CC(C)NC(=O)c1ccccc1Nc1cc[nH+]c2[nH]ccc21 ZINC000204409279 346281987 /nfs/dbraw/zinc/28/19/87/346281987.db2.gz UKGSVVRJUCCOQX-UHFFFAOYSA-N 1 2 294.358 3.445 10 0 CGAELO [NH3+][C@@H](c1ccc(Cl)o1)c1occc1Br ZINC000236302140 346340020 /nfs/dbraw/zinc/34/00/20/346340020.db2.gz PVORJCJGOBPXAZ-QMMMGPOBSA-N 1 2 276.517 3.337 10 0 CGAELO [NH3+][C@H](c1c(Cl)cccc1Br)C(F)F ZINC000306232864 346452428 /nfs/dbraw/zinc/45/24/28/346452428.db2.gz CUMWZXUHBCPGSB-SSDOTTSWSA-N 1 2 270.504 3.367 10 0 CGAELO CC(C)c1cn(-c2ccc3c(c2)NC(=O)C3(C)C)c[nH+]1 ZINC000584625468 346697261 /nfs/dbraw/zinc/69/72/61/346697261.db2.gz DVTPUIWXGKKJEL-UHFFFAOYSA-N 1 2 269.348 3.225 10 0 CGAELO CC(C)(C)N1C[C@@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616583981 348836442 /nfs/dbraw/zinc/83/64/42/348836442.db2.gz MCSLESRYQQTBBR-ZDUSSCGKSA-N 1 2 256.353 3.181 10 0 CGAELO CC(C)(C)N1C[C@@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616583981 348836444 /nfs/dbraw/zinc/83/64/44/348836444.db2.gz MCSLESRYQQTBBR-ZDUSSCGKSA-N 1 2 256.353 3.181 10 0 CGAELO CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616623125 348848988 /nfs/dbraw/zinc/84/89/88/348848988.db2.gz VVSCKTGIFZWDJM-CYBMUJFWSA-N 1 2 291.395 3.346 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616668268 348860781 /nfs/dbraw/zinc/86/07/81/348860781.db2.gz UFRCPUYHWBODMM-AWEZNQCLSA-N 1 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C[C@H]([NH2+][C@H](CO)c1ccccc1)c1nc2ccccc2o1 ZINC000183633433 374436879 /nfs/dbraw/zinc/43/68/79/374436879.db2.gz QSINXQVWUUCORB-SWLSCSKDSA-N 1 2 282.343 3.212 10 0 CGAELO Brc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)o1 ZINC000335709651 375366573 /nfs/dbraw/zinc/36/65/73/375366573.db2.gz IRRWIGSBKSFCKS-WCBMZHEXSA-N 1 2 256.143 3.026 10 0 CGAELO Brc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)o1 ZINC000335709651 375366575 /nfs/dbraw/zinc/36/65/75/375366575.db2.gz IRRWIGSBKSFCKS-WCBMZHEXSA-N 1 2 256.143 3.026 10 0 CGAELO Cc1nc([C@@H]2CCC[N@@H+]2CCOCC(F)(F)F)cs1 ZINC000189782271 375445469 /nfs/dbraw/zinc/44/54/69/375445469.db2.gz WGKBJGJQFSHALY-NSHDSACASA-N 1 2 294.342 3.167 10 0 CGAELO Cc1nc([C@@H]2CCC[N@H+]2CCOCC(F)(F)F)cs1 ZINC000189782271 375445477 /nfs/dbraw/zinc/44/54/77/375445477.db2.gz WGKBJGJQFSHALY-NSHDSACASA-N 1 2 294.342 3.167 10 0 CGAELO C[C@@H]1COCC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000195108062 376079390 /nfs/dbraw/zinc/07/93/90/376079390.db2.gz AZRXSYVKNABPAC-BXUZGUMPSA-N 1 2 291.782 3.363 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CC(C)(C)N1CN(C(C)(C)C)C[NH+](C(C)(C)C)C1 ZINC000019319923 278347062 /nfs/dbraw/zinc/34/70/62/278347062.db2.gz XNJJKNFDJBAYSE-UHFFFAOYSA-N 1 2 255.450 3.174 10 0 CGAELO CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1c1[nH]cc[nH+]1 ZINC000114814211 278378860 /nfs/dbraw/zinc/37/88/60/278378860.db2.gz QIXHRJKGAGWGMZ-JTQLQIEISA-N 1 2 265.357 3.118 10 0 CGAELO CCOC(=O)CC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000301873041 279546616 /nfs/dbraw/zinc/54/66/16/279546616.db2.gz LCSBSCZVHMRFCD-GFCCVEGCSA-N 1 2 272.348 3.379 10 0 CGAELO COc1ccc([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245635688 295164489 /nfs/dbraw/zinc/16/44/89/295164489.db2.gz WJUUDJSKJYJYNA-ARFHVFGLSA-N 1 2 273.376 3.455 10 0 CGAELO CCNc1cc(CC)[nH+]c(Cc2ccccc2F)n1 ZINC000050851283 520270281 /nfs/dbraw/zinc/27/02/81/520270281.db2.gz RFRKVHHPXSHHCE-UHFFFAOYSA-N 1 2 259.328 3.201 10 0 CGAELO CCNc1nc(C[NH+]2CCCCC2)nc2sccc21 ZINC000050792639 520356678 /nfs/dbraw/zinc/35/66/78/520356678.db2.gz IYUVYXRSYHDSTC-UHFFFAOYSA-N 1 2 276.409 3.109 10 0 CGAELO COC(=O)[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(C)C ZINC000069150274 523931863 /nfs/dbraw/zinc/93/18/63/523931863.db2.gz LXCNVCLJWMRTNM-ZWNOBZJWSA-N 1 2 269.772 3.188 10 0 CGAELO Cc1nn(C)cc1[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000087407522 527697207 /nfs/dbraw/zinc/69/72/07/527697207.db2.gz SQYHLVFPEYXRAU-GFCCVEGCSA-N 1 2 272.396 3.276 10 0 CGAELO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000320897693 625986513 /nfs/dbraw/zinc/98/65/13/625986513.db2.gz NTEKXNCNGQTLRZ-KGLIPLIRSA-N 1 2 280.799 3.187 10 0 CGAELO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000320897693 625986514 /nfs/dbraw/zinc/98/65/14/625986514.db2.gz NTEKXNCNGQTLRZ-KGLIPLIRSA-N 1 2 280.799 3.187 10 0 CGAELO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cc(F)ccc1F ZINC000139090910 637713311 /nfs/dbraw/zinc/71/33/11/637713311.db2.gz KTQFVDBXHVMITO-BDAKNGLRSA-N 1 2 251.280 3.100 10 0 CGAELO Cn1cccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127732174 187329031 /nfs/dbraw/zinc/32/90/31/187329031.db2.gz NDBQLFBFUXOTHP-CYBMUJFWSA-N 1 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CCc1nc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000114482774 370503047 /nfs/dbraw/zinc/50/30/47/370503047.db2.gz WXMFOIYHGMLFRZ-CYBMUJFWSA-N 1 2 276.409 3.156 10 0 CGAELO CCc1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000114482774 370503050 /nfs/dbraw/zinc/50/30/50/370503050.db2.gz WXMFOIYHGMLFRZ-CYBMUJFWSA-N 1 2 276.409 3.156 10 0 CGAELO c1coc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccco3)n2)c1 ZINC000116287969 370555761 /nfs/dbraw/zinc/55/57/61/370555761.db2.gz JBDBQFKNPUCCNM-LLVKDONJSA-N 1 2 285.303 3.260 10 0 CGAELO c1coc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccco3)n2)c1 ZINC000116287969 370555766 /nfs/dbraw/zinc/55/57/66/370555766.db2.gz JBDBQFKNPUCCNM-LLVKDONJSA-N 1 2 285.303 3.260 10 0 CGAELO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)O1 ZINC000154434415 371846497 /nfs/dbraw/zinc/84/64/97/371846497.db2.gz FXODBDUIUZHERT-WBMJQRKESA-N 1 2 298.342 3.380 10 0 CGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)c1ccccc1 ZINC000172391651 372953463 /nfs/dbraw/zinc/95/34/63/372953463.db2.gz CNOQNVSTTHQHOL-CYBMUJFWSA-N 1 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ZINC000040680584 174375170 /nfs/dbraw/zinc/37/51/70/174375170.db2.gz QSQBPHXMSQGMFM-UHFFFAOYSA-N 1 2 271.368 3.321 10 0 CGAELO CCN(CC)c1nc[nH+]c(Nc2cc(C)ccc2C)c1N ZINC000040704381 174378781 /nfs/dbraw/zinc/37/87/81/174378781.db2.gz OIJUUZKJZQOFLG-UHFFFAOYSA-N 1 2 285.395 3.265 10 0 CGAELO Cc1ccc(Nc2[nH+]cnc(NC(C)C)c2N)cc1C ZINC000040702686 174379108 /nfs/dbraw/zinc/37/91/08/174379108.db2.gz YGLQQMKPAFTMPT-UHFFFAOYSA-N 1 2 271.368 3.240 10 0 CGAELO Cc1ccc(Nc2nc[nH+]c(NC(C)C)c2N)cc1C ZINC000040702686 174379110 /nfs/dbraw/zinc/37/91/10/174379110.db2.gz YGLQQMKPAFTMPT-UHFFFAOYSA-N 1 2 271.368 3.240 10 0 CGAELO CCCNc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040707776 174379979 /nfs/dbraw/zinc/37/99/79/174379979.db2.gz WUZLGSKDOLMRJZ-UHFFFAOYSA-N 1 2 277.759 3.278 10 0 CGAELO CCCNc1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040707776 174379980 /nfs/dbraw/zinc/37/99/80/174379980.db2.gz WUZLGSKDOLMRJZ-UHFFFAOYSA-N 1 2 277.759 3.278 10 0 CGAELO CC(C)Nc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040708113 174380324 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Cc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831426 249036492 /nfs/dbraw/zinc/03/64/92/249036492.db2.gz CSEWRXRJAMRUMA-LBPRGKRZSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831426 249036494 /nfs/dbraw/zinc/03/64/94/249036494.db2.gz CSEWRXRJAMRUMA-LBPRGKRZSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1F ZINC000181351868 542218731 /nfs/dbraw/zinc/21/87/31/542218731.db2.gz BSVLBYSBBQECBM-JTQLQIEISA-N 1 2 275.327 3.245 10 0 CGAELO C(=C\c1ccccc1)\C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000255291241 377746021 /nfs/dbraw/zinc/74/60/21/377746021.db2.gz WAULHGVPHSJWAY-QZDDGCDVSA-N 1 2 286.400 3.230 10 0 CGAELO C(=C\c1ccccc1)\C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000255291241 377746032 /nfs/dbraw/zinc/74/60/32/377746032.db2.gz WAULHGVPHSJWAY-QZDDGCDVSA-N 1 2 286.400 3.230 10 0 CGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000220602820 542288237 /nfs/dbraw/zinc/28/82/37/542288237.db2.gz JWVQJUBIFAWWMR-CQSZACIVSA-N 1 2 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/nfs/dbraw/zinc/12/15/26/165121526.db2.gz PCIAQUXIEBGQBO-PHIMTYICSA-N 1 2 273.298 3.315 10 0 CGAELO Cc1ccc(C)c(NC(=O)[C@H]2CCCn3cc[nH+]c32)c1 ZINC000080461255 165158684 /nfs/dbraw/zinc/15/86/84/165158684.db2.gz SLBAGYRNGYMQHC-ZDUSSCGKSA-N 1 2 269.348 3.016 10 0 CGAELO O[C@@H]1CCCC[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000086015696 165183386 /nfs/dbraw/zinc/18/33/86/165183386.db2.gz PRRBFGUXGNMZGL-UKRRQHHQSA-N 1 2 256.349 3.198 10 0 CGAELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cncs1 ZINC000092973490 165319209 /nfs/dbraw/zinc/31/92/09/165319209.db2.gz MPKFFEKTLWIAAR-OAHLLOKOSA-N 1 2 288.416 3.495 10 0 CGAELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1cncs1 ZINC000092973490 165319210 /nfs/dbraw/zinc/31/92/10/165319210.db2.gz MPKFFEKTLWIAAR-OAHLLOKOSA-N 1 2 288.416 3.495 10 0 CGAELO Brc1ccc(NC2=[NH+]CCCS2)cc1 ZINC000008702122 170346960 /nfs/dbraw/zinc/34/69/60/170346960.db2.gz NDFDPCAEUBETMS-UHFFFAOYSA-N 1 2 271.183 3.354 10 0 CGAELO Cc1noc(C)c1C[NH2+]Cc1nc2ccccc2s1 ZINC000020253276 171105898 /nfs/dbraw/zinc/10/58/98/171105898.db2.gz VFFJBYBUKTYPHI-UHFFFAOYSA-N 1 2 273.361 3.191 10 0 CGAELO CCCC(CCC)[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020556978 171250206 /nfs/dbraw/zinc/25/02/06/171250206.db2.gz ACRYPBJTFBGLNX-UHFFFAOYSA-N 1 2 259.357 3.043 10 0 CGAELO Cc1cc(C(=O)Cn2c(C)[nH+]c3ccccc32)c(C)n1C ZINC000026102665 171471663 /nfs/dbraw/zinc/47/16/63/171471663.db2.gz GMBLHMVTBAKFIL-UHFFFAOYSA-N 1 2 281.359 3.183 10 0 CGAELO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccc(Cl)s1 ZINC000035036023 171941969 /nfs/dbraw/zinc/94/19/69/171941969.db2.gz VDSZJBRQGXXZFU-VIFPVBQESA-N 1 2 257.786 3.459 10 0 CGAELO C[C@H]1CCCC[N@H+]1CC(=O)c1ccc(Cl)s1 ZINC000035036023 171941972 /nfs/dbraw/zinc/94/19/72/171941972.db2.gz VDSZJBRQGXXZFU-VIFPVBQESA-N 1 2 257.786 3.459 10 0 CGAELO CC(C)Oc1ccc(NC2=[NH+][C@H](C)CS2)cc1 ZINC000035295195 172106777 /nfs/dbraw/zinc/10/67/77/172106777.db2.gz ACDSCCAWOOMUPJ-SNVBAGLBSA-N 1 2 250.367 3.377 10 0 CGAELO Cc1ccc(CNc2ccccc2-n2cc[nH+]c2)o1 ZINC000036920299 172804071 /nfs/dbraw/zinc/80/40/71/172804071.db2.gz JASRCWKDXIKRAI-UHFFFAOYSA-N 1 2 253.305 3.386 10 0 CGAELO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)c1c(F)cccc1F ZINC000037333277 173134463 /nfs/dbraw/zinc/13/44/63/173134463.db2.gz HHSXTIAVQDHJJK-GHMZBOCLSA-N 1 2 267.319 3.410 10 0 CGAELO Nc1[nH+]c2c(cccc2F)n1-c1cc(F)cc(F)c1 ZINC000037421369 173198452 /nfs/dbraw/zinc/19/84/52/173198452.db2.gz XXHCPMRCBYWLNL-UHFFFAOYSA-N 1 2 263.222 3.025 10 0 CGAELO CC[C@@]([NH2+]C(C)C)(C(=O)OC)c1cccc(Cl)c1 ZINC000037445785 173212847 /nfs/dbraw/zinc/21/28/47/173212847.db2.gz YRVJKEWYGSZEGG-AWEZNQCLSA-N 1 2 269.772 3.116 10 0 CGAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000038066673 174078587 /nfs/dbraw/zinc/07/85/87/174078587.db2.gz YFVBYGGVXSNPPS-BBRMVZONSA-N 1 2 263.381 3.080 10 0 CGAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1ccc(SC)cc1 ZINC000038067514 174079241 /nfs/dbraw/zinc/07/92/41/174079241.db2.gz YQYRMUMIVGUYHY-RISCZKNCSA-N 1 2 281.421 3.401 10 0 CGAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccc(F)cc1 ZINC000040761291 174397357 /nfs/dbraw/zinc/39/73/57/174397357.db2.gz BNVISKPOCXGKKI-UHFFFAOYSA-N 1 2 299.309 3.147 10 0 CGAELO Nc1c(Nc2ccc(F)cc2)nc[nH+]c1NCc1ccco1 ZINC000040761291 174397359 /nfs/dbraw/zinc/39/73/59/174397359.db2.gz BNVISKPOCXGKKI-UHFFFAOYSA-N 1 2 299.309 3.147 10 0 CGAELO C[C@H]1CCC[N@@H+](c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265309 544113934 /nfs/dbraw/zinc/11/39/34/544113934.db2.gz ZEKNOPBOTFYRQJ-VIFPVBQESA-N 1 2 256.296 3.107 10 0 CGAELO C[C@H]1CCC[N@H+](c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265309 544113935 /nfs/dbraw/zinc/11/39/35/544113935.db2.gz ZEKNOPBOTFYRQJ-VIFPVBQESA-N 1 2 256.296 3.107 10 0 CGAELO CC(C)n1cc[nH+]c1CSCC[C@@H]1CCCO1 ZINC000190047834 270072747 /nfs/dbraw/zinc/07/27/47/270072747.db2.gz OVCNCWHTNQLPAS-LBPRGKRZSA-N 1 2 254.399 3.266 10 0 CGAELO Brc1ccc(-c2c[nH+]c3n2CCC3)s1 ZINC000040539096 275368454 /nfs/dbraw/zinc/36/84/54/275368454.db2.gz AMMNTVUXWODAOO-UHFFFAOYSA-N 1 2 269.167 3.320 10 0 CGAELO CC(C)c1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000183006133 278065548 /nfs/dbraw/zinc/06/55/48/278065548.db2.gz NYWTWZQCILODOE-STQMWFEESA-N 1 2 280.437 3.410 10 0 CGAELO CC(C)c1cnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000183006133 278065549 /nfs/dbraw/zinc/06/55/49/278065549.db2.gz NYWTWZQCILODOE-STQMWFEESA-N 1 2 280.437 3.410 10 0 CGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1F ZINC000090227601 293526944 /nfs/dbraw/zinc/52/69/44/293526944.db2.gz MPDVKTFJLDZDER-YMTOWFKASA-N 1 2 292.333 3.050 10 0 CGAELO Clc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000173400121 294111528 /nfs/dbraw/zinc/11/15/28/294111528.db2.gz JRYQXPLSMJUXNN-ZDUSSCGKSA-N 1 2 276.771 3.185 10 0 CGAELO Clc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000173400121 294111532 /nfs/dbraw/zinc/11/15/32/294111532.db2.gz JRYQXPLSMJUXNN-ZDUSSCGKSA-N 1 2 276.771 3.185 10 0 CGAELO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1ccc(F)cc1C ZINC000050580292 521273811 /nfs/dbraw/zinc/27/38/11/521273811.db2.gz JJHLJAUZPLHDHQ-BXUZGUMPSA-N 1 2 267.344 3.126 10 0 CGAELO CCCc1cc(NC)nc(Cc2cccc(F)c2)[nH+]1 ZINC000050849980 521378904 /nfs/dbraw/zinc/37/89/04/521378904.db2.gz KOUZKBRCCSJPSV-UHFFFAOYSA-N 1 2 259.328 3.201 10 0 CGAELO CNc1nc(-c2ccc(O)c(Cl)c2)[nH+]c(C)c1C ZINC000050865956 522675517 /nfs/dbraw/zinc/67/55/17/522675517.db2.gz UTYIOXYJSRSCDX-UHFFFAOYSA-N 1 2 263.728 3.161 10 0 CGAELO Clc1ccc(NCc2[nH]cc[nH+]2)c2ncccc12 ZINC000049715509 526956159 /nfs/dbraw/zinc/95/61/59/526956159.db2.gz MVZRHXXCBVFANR-UHFFFAOYSA-N 1 2 258.712 3.223 10 0 CGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCC1CCC1)C2 ZINC000176646490 528324029 /nfs/dbraw/zinc/32/40/29/528324029.db2.gz JNSLTAUIMXDWFN-UHFFFAOYSA-N 1 2 289.423 3.009 10 0 CGAELO CC(=O)[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168633379 618913716 /nfs/dbraw/zinc/91/37/16/618913716.db2.gz UATKIIHNASJHEL-AWEZNQCLSA-N 1 2 254.333 3.040 10 0 CGAELO CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000112344599 618961771 /nfs/dbraw/zinc/96/17/71/618961771.db2.gz FMVFERUVTAIJGV-LBPRGKRZSA-N 1 2 259.353 3.049 10 0 CGAELO CCc1nnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)n1C ZINC000124672515 187148216 /nfs/dbraw/zinc/14/82/16/187148216.db2.gz VALRMEVYPAOSRA-CYBMUJFWSA-N 1 2 288.395 3.006 10 0 CGAELO CCc1nnc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)n1C ZINC000124672515 187148217 /nfs/dbraw/zinc/14/82/17/187148217.db2.gz VALRMEVYPAOSRA-CYBMUJFWSA-N 1 2 288.395 3.006 10 0 CGAELO CCn1cc[nH+]c1C[S@](=O)Cc1cc(C)sc1C ZINC000176836158 529582144 /nfs/dbraw/zinc/58/21/44/529582144.db2.gz UVANQDSGNRBFQT-GOSISDBHSA-N 1 2 282.434 3.030 10 0 CGAELO CC[C@H](C)C[NH2+]c1ccc(N)cc1Br ZINC000054466642 345135870 /nfs/dbraw/zinc/13/58/70/345135870.db2.gz XCNPYJLXVOOBBD-QMMMGPOBSA-N 1 2 257.175 3.489 10 0 CGAELO CCc1noc(C[NH2+][C@@H](C)c2ccc(CC)cc2)n1 ZINC000126271342 346023529 /nfs/dbraw/zinc/02/35/29/346023529.db2.gz IVDILISMTPRYST-NSHDSACASA-N 1 2 259.353 3.045 10 0 CGAELO C[C@H](COCc1ccccc1)[NH2+]Cc1n[nH]c2ccccc21 ZINC000608067133 348281904 /nfs/dbraw/zinc/28/19/04/348281904.db2.gz YABCPTAZDWUZEC-CQSZACIVSA-N 1 2 295.386 3.258 10 0 CGAELO CCN1c2ccccc2CC[C@H]1c1ccc(N)[nH+]c1 ZINC000616595554 348839574 /nfs/dbraw/zinc/83/95/74/348839574.db2.gz VXOUBPFZNAEZCL-HNNXBMFYSA-N 1 2 253.349 3.008 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616668925 348861088 /nfs/dbraw/zinc/86/10/88/348861088.db2.gz ZDUFZNPRYNNUOF-OAHLLOKOSA-N 1 2 297.358 3.145 10 0 CGAELO CC(C)N1c2ccccc2NC[C@H]1c1ccc[nH+]c1N ZINC000616682103 348866449 /nfs/dbraw/zinc/86/64/49/348866449.db2.gz ABJBHXUNNGBYED-HNNXBMFYSA-N 1 2 268.364 3.045 10 0 CGAELO CCC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)OCC ZINC000097987985 138349472 /nfs/dbraw/zinc/34/94/72/138349472.db2.gz VVGQNYIEMKAARI-JKSUJKDBSA-N 1 2 275.392 3.385 10 0 CGAELO c1cc(-c2noc(CSc3[nH+]cc4ccccn43)n2)co1 ZINC000105572466 138352483 /nfs/dbraw/zinc/35/24/83/138352483.db2.gz XEZDIMYMZHYARP-UHFFFAOYSA-N 1 2 298.327 3.270 10 0 CGAELO C[C@@H](c1ccco1)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608618 138352486 /nfs/dbraw/zinc/35/24/86/138352486.db2.gz HACWQVPQPSISRD-JTQLQIEISA-N 1 2 273.292 3.116 10 0 CGAELO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608618 138352487 /nfs/dbraw/zinc/35/24/87/138352487.db2.gz HACWQVPQPSISRD-JTQLQIEISA-N 1 2 273.292 3.116 10 0 CGAELO Cc1ccc(CC[S@](=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000176883941 189012997 /nfs/dbraw/zinc/01/29/97/189012997.db2.gz VGHFOLXMFXWPIS-FQEVSTJZSA-N 1 2 290.432 3.264 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccc(F)c(F)c1 ZINC000177091770 189028297 /nfs/dbraw/zinc/02/82/97/189028297.db2.gz REEDWSRYJUAQCF-LJQANCHMSA-N 1 2 284.331 3.050 10 0 CGAELO Cc1nc(C[NH2+][C@H](C)c2ccc3ccccc3c2)no1 ZINC000181492528 189298290 /nfs/dbraw/zinc/29/82/90/189298290.db2.gz JFYBVPAOYOOVCJ-LLVKDONJSA-N 1 2 267.332 3.382 10 0 CGAELO CCOc1ccc2nc(NCc3c[nH+]cn3C)sc2c1 ZINC000181535388 189299437 /nfs/dbraw/zinc/29/94/37/189299437.db2.gz MIDHBZCWILXZKQ-UHFFFAOYSA-N 1 2 288.376 3.041 10 0 CGAELO Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182330966 189320315 /nfs/dbraw/zinc/32/03/15/189320315.db2.gz FGQJDKVQBBORIW-MRXNPFEDSA-N 1 2 284.407 3.273 10 0 CGAELO Cc1ccc(CCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182330966 189320316 /nfs/dbraw/zinc/32/03/16/189320316.db2.gz FGQJDKVQBBORIW-MRXNPFEDSA-N 1 2 284.407 3.273 10 0 CGAELO Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182330966 189320317 /nfs/dbraw/zinc/32/03/17/189320317.db2.gz FGQJDKVQBBORIW-MRXNPFEDSA-N 1 2 284.407 3.273 10 0 CGAELO Cc1ccc(CCC[N@H+]2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182330966 189320318 /nfs/dbraw/zinc/32/03/18/189320318.db2.gz FGQJDKVQBBORIW-MRXNPFEDSA-N 1 2 284.407 3.273 10 0 CGAELO c1nnc([C@H]2CCCC[N@H+]2Cc2cccc3cccnc32)[nH]1 ZINC000182757894 189333933 /nfs/dbraw/zinc/33/39/33/189333933.db2.gz LIWPWDHDEKGTQR-OAHLLOKOSA-N 1 2 293.374 3.080 10 0 CGAELO c1nnc([C@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)[nH]1 ZINC000182757894 189333934 /nfs/dbraw/zinc/33/39/34/189333934.db2.gz LIWPWDHDEKGTQR-OAHLLOKOSA-N 1 2 293.374 3.080 10 0 CGAELO O[C@@H](Cn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000013209936 368646837 /nfs/dbraw/zinc/64/68/37/368646837.db2.gz YOHUWKWWIQCJSP-KRWDZBQOSA-N 1 2 264.328 3.284 10 0 CGAELO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000014215864 368679261 /nfs/dbraw/zinc/67/92/61/368679261.db2.gz HLOSPNIUFXEHNQ-SECBINFHSA-N 1 2 287.754 3.190 10 0 CGAELO Cc1cc(OCc2ccccn2)c2cccc(O)c2[nH+]1 ZINC000038222812 369145109 /nfs/dbraw/zinc/14/51/09/369145109.db2.gz HODPMDMZQBLEAH-UHFFFAOYSA-N 1 2 266.300 3.223 10 0 CGAELO CCN(C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000080551214 369991175 /nfs/dbraw/zinc/99/11/75/369991175.db2.gz NMQVLEKUQOLEQE-CYBMUJFWSA-N 1 2 298.390 3.127 10 0 CGAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccn1 ZINC000171944469 372862671 /nfs/dbraw/zinc/86/26/71/372862671.db2.gz YOOLTUOBYMWPCF-KGLIPLIRSA-N 1 2 297.406 3.281 10 0 CGAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccn1 ZINC000171944469 372862679 /nfs/dbraw/zinc/86/26/79/372862679.db2.gz YOOLTUOBYMWPCF-KGLIPLIRSA-N 1 2 297.406 3.281 10 0 CGAELO CCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000172869489 373053685 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374225257 /nfs/dbraw/zinc/22/52/57/374225257.db2.gz HIWGXLFNGVGAOH-ZDUSSCGKSA-N 1 2 287.190 3.143 10 0 CGAELO Clc1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(Cl)n1 ZINC000310804047 374225260 /nfs/dbraw/zinc/22/52/60/374225260.db2.gz HIWGXLFNGVGAOH-ZDUSSCGKSA-N 1 2 287.190 3.143 10 0 CGAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1nccn1C ZINC000182806358 374330674 /nfs/dbraw/zinc/33/06/74/374330674.db2.gz HSHMJVFIFQMLIZ-RHSMWYFYSA-N 1 2 292.386 3.255 10 0 CGAELO ClC(Cl)(Cl)CC[N@@H+]1CCOCC12CCC2 ZINC000184682816 374550670 /nfs/dbraw/zinc/55/06/70/374550670.db2.gz CDKGKOBEFRENGE-UHFFFAOYSA-N 1 2 272.603 3.002 10 0 CGAELO ClC(Cl)(Cl)CC[N@H+]1CCOCC12CCC2 ZINC000184682816 374550675 /nfs/dbraw/zinc/55/06/75/374550675.db2.gz CDKGKOBEFRENGE-UHFFFAOYSA-N 1 2 272.603 3.002 10 0 CGAELO Cc1cc(C)c(NC(=O)N2C[C@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000334712495 374995956 /nfs/dbraw/zinc/99/59/56/374995956.db2.gz NHQOMDLQMITORS-OLZOCXBDSA-N 1 2 259.353 3.023 10 0 CGAELO Cc1nc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)no1 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RSNNAPGBFFVQRY-UHFFFAOYSA-N 1 2 250.371 3.042 10 0 CGAELO CN(C(=O)[C@@H]1CCCn2cc[nH+]c21)C1CCC(C)(C)CC1 ZINC000088201962 370031568 /nfs/dbraw/zinc/03/15/68/370031568.db2.gz LCDNAXGNDFHDJW-CQSZACIVSA-N 1 2 289.423 3.188 10 0 CGAELO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)o1 ZINC000131510038 371112112 /nfs/dbraw/zinc/11/21/12/371112112.db2.gz CBCJWHSHHLQLPN-LLVKDONJSA-N 1 2 267.369 3.004 10 0 CGAELO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)o1 ZINC000131510038 371112118 /nfs/dbraw/zinc/11/21/18/371112118.db2.gz CBCJWHSHHLQLPN-LLVKDONJSA-N 1 2 267.369 3.004 10 0 CGAELO CC1(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCCCC1 ZINC000133227505 371236918 /nfs/dbraw/zinc/23/69/18/371236918.db2.gz OWNNAQFSYGIXFV-HNNXBMFYSA-N 1 2 289.423 3.235 10 0 CGAELO Fc1ccc2[nH+]c3c(n2c1)CN(Cc1ccccc1)CC3 ZINC000163520862 372474758 /nfs/dbraw/zinc/47/47/58/372474758.db2.gz WAFVWWCLKPIRRB-UHFFFAOYSA-N 1 2 281.334 3.032 10 0 CGAELO O[C@]12CCCC[C@@H]1CN(c1[nH+]ccc3ccccc31)CC2 ZINC000168749985 372618847 /nfs/dbraw/zinc/61/88/47/372618847.db2.gz ZGUCNIVTOYFMOC-QAPCUYQASA-N 1 2 282.387 3.366 10 0 CGAELO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000171111336 372712678 /nfs/dbraw/zinc/71/26/78/372712678.db2.gz MDLPHLARMOLLFD-SECBINFHSA-N 1 2 275.333 3.242 10 0 CGAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(-c3ccco3)on2)cn1 ZINC000171412896 372754142 /nfs/dbraw/zinc/75/41/42/372754142.db2.gz SKMQJPFCFVWOFI-CQSZACIVSA-N 1 2 298.346 3.005 10 0 CGAELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(-c3ccco3)on2)cn1 ZINC000171412896 372754153 /nfs/dbraw/zinc/75/41/53/372754153.db2.gz SKMQJPFCFVWOFI-CQSZACIVSA-N 1 2 298.346 3.005 10 0 CGAELO C[C@H]1C[N@H+](Cc2csc(Br)c2)CCS1 ZINC000171690850 372809054 /nfs/dbraw/zinc/80/90/54/372809054.db2.gz SPCMDPBYCVYCIK-QMMMGPOBSA-N 1 2 292.267 3.448 10 0 CGAELO C[C@H]1C[N@@H+](Cc2csc(Br)c2)CCS1 ZINC000171690850 372809065 /nfs/dbraw/zinc/80/90/65/372809065.db2.gz SPCMDPBYCVYCIK-QMMMGPOBSA-N 1 2 292.267 3.448 10 0 CGAELO c1coc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccco3)o2)c1 ZINC000172025176 372885546 /nfs/dbraw/zinc/88/55/46/372885546.db2.gz FWQRUCKRRUGVRT-NSHDSACASA-N 1 2 285.303 3.260 10 0 CGAELO c1coc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccco3)o2)c1 ZINC000172025176 372885555 /nfs/dbraw/zinc/88/55/55/372885555.db2.gz FWQRUCKRRUGVRT-NSHDSACASA-N 1 2 285.303 3.260 10 0 CGAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000173949013 373224008 /nfs/dbraw/zinc/22/40/08/373224008.db2.gz RITANAPQFVTISM-CYBMUJFWSA-N 1 2 295.342 3.265 10 0 CGAELO CCn1cc[nH+]c1CN1c2ccccc2N(C)CC[C@@H]1C ZINC000174796093 373367102 /nfs/dbraw/zinc/36/71/02/373367102.db2.gz HRYMOCYYNMWJSO-AWEZNQCLSA-N 1 2 284.407 3.138 10 0 CGAELO Cc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000176333570 373583538 /nfs/dbraw/zinc/58/35/38/373583538.db2.gz VYMSVBREOGHPQU-OAHLLOKOSA-N 1 2 298.390 3.196 10 0 CGAELO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1[nH]ncc1Br ZINC000310006709 374205669 /nfs/dbraw/zinc/20/56/69/374205669.db2.gz GZIYIYFUUAFTDQ-KOLCDFICSA-N 1 2 286.217 3.231 10 0 CGAELO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1nccn1C ZINC000182806339 374329713 /nfs/dbraw/zinc/32/97/13/374329713.db2.gz HSHMJVFIFQMLIZ-WMLDXEAASA-N 1 2 292.386 3.255 10 0 CGAELO CCn1cc[nH+]c1CSc1c(OC)cccc1OC ZINC000191253493 375601140 /nfs/dbraw/zinc/60/11/40/375601140.db2.gz JXLGUDVQNOTYQG-UHFFFAOYSA-N 1 2 278.377 3.213 10 0 CGAELO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195373055 376100130 /nfs/dbraw/zinc/10/01/30/376100130.db2.gz FWLTWFMFIZAONF-CQSZACIVSA-N 1 2 290.436 3.221 10 0 CGAELO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195373055 376100135 /nfs/dbraw/zinc/10/01/35/376100135.db2.gz FWLTWFMFIZAONF-CQSZACIVSA-N 1 2 290.436 3.221 10 0 CGAELO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1Cl ZINC000195023983 376070499 /nfs/dbraw/zinc/07/04/99/376070499.db2.gz XHSPXFLRFFXSKY-SNVBAGLBSA-N 1 2 290.798 3.197 10 0 CGAELO Clc1cnc(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000225299878 376301289 /nfs/dbraw/zinc/30/12/89/376301289.db2.gz FGYQLVCQWCXQDA-SNVBAGLBSA-N 1 2 280.780 3.410 10 0 CGAELO C[C@H](c1ccc(F)cc1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246175842 376982037 /nfs/dbraw/zinc/98/20/37/376982037.db2.gz JUYNGNCHZMGPNZ-CJNGLKHVSA-N 1 2 262.372 3.057 10 0 CGAELO C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000248342070 377290580 /nfs/dbraw/zinc/29/05/80/377290580.db2.gz JHRBXVFFGTXICI-VZEFYGNVSA-N 1 2 295.386 3.096 10 0 CGAELO CCc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000179964566 542204253 /nfs/dbraw/zinc/20/42/53/542204253.db2.gz GGIDTDQXMUXFMV-CQSZACIVSA-N 1 2 290.436 3.166 10 0 CGAELO CCc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000179964566 542204257 /nfs/dbraw/zinc/20/42/57/542204257.db2.gz GGIDTDQXMUXFMV-CQSZACIVSA-N 1 2 290.436 3.166 10 0 CGAELO COC[C@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC000183032191 542227931 /nfs/dbraw/zinc/22/79/31/542227931.db2.gz ABESWEJJCIODCZ-AWEZNQCLSA-N 1 2 291.782 3.363 10 0 CGAELO C[C@H]1C[NH2+][C@H](c2cscc2Br)S1 ZINC000307232351 392649103 /nfs/dbraw/zinc/64/91/03/392649103.db2.gz CTLUBFWUJXLHIE-XNCJUZBTSA-N 1 2 264.213 3.234 10 0 CGAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1C ZINC000195026707 392952286 /nfs/dbraw/zinc/95/22/86/392952286.db2.gz SUUXLFWWMOULRC-GFCCVEGCSA-N 1 2 290.436 3.337 10 0 CGAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2c2cccs2)n1C ZINC000195026707 392952300 /nfs/dbraw/zinc/95/23/00/392952300.db2.gz SUUXLFWWMOULRC-GFCCVEGCSA-N 1 2 290.436 3.337 10 0 CGAELO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@@H]1CCCO1 ZINC000090802908 165243692 /nfs/dbraw/zinc/24/36/92/165243692.db2.gz DQEHDSMRSWXUBH-WPRPVWTQSA-N 1 2 260.259 3.080 10 0 CGAELO O[C@@H](Cn1cc[nH+]c1)c1ccc(CCc2ccccc2)cc1 ZINC000013209898 170539747 /nfs/dbraw/zinc/53/97/47/170539747.db2.gz IAWIJHCUEPVIOO-IBGZPJMESA-N 1 2 292.382 3.402 10 0 in-man CGAELO CCn1c2ccccc2[nH+]c1CCc1ccccc1N ZINC000020980523 171282737 /nfs/dbraw/zinc/28/27/37/171282737.db2.gz RZKQFTZSKSFCCP-UHFFFAOYSA-N 1 2 265.360 3.424 10 0 CGAELO Cc1cccc(NC(=O)CNc2ccc([NH+](C)C)cc2)c1 ZINC000035164808 172026160 /nfs/dbraw/zinc/02/61/60/172026160.db2.gz IYSORJIAEJRPDF-UHFFFAOYSA-N 1 2 283.375 3.112 10 0 CGAELO COC(=O)[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000035224707 172069249 /nfs/dbraw/zinc/06/92/49/172069249.db2.gz BHEOMADTPRUBGS-CABCVRRESA-N 1 2 263.381 3.171 10 0 CGAELO C[C@H](O)c1ccc2ccccc2c1OCCn1cc[nH+]c1 ZINC000035627969 172306697 /nfs/dbraw/zinc/30/66/97/172306697.db2.gz PUUZVSDZYJYDBV-ZDUSSCGKSA-N 1 2 282.343 3.169 10 0 CGAELO Cc1ccc(C[N@@H+](C)Cc2cc(N)ccc2Cl)o1 ZINC000035698951 172367343 /nfs/dbraw/zinc/36/73/43/172367343.db2.gz IKEQZZAFGLRPOP-UHFFFAOYSA-N 1 2 264.756 3.456 10 0 CGAELO Cc1ccc(C[N@H+](C)Cc2cc(N)ccc2Cl)o1 ZINC000035698951 172367344 /nfs/dbraw/zinc/36/73/44/172367344.db2.gz IKEQZZAFGLRPOP-UHFFFAOYSA-N 1 2 264.756 3.456 10 0 CGAELO CC[C@@H]1CCC[N@H+](CC(=O)c2ccc(F)cc2F)C1 ZINC000037339577 173140728 /nfs/dbraw/zinc/14/07/28/173140728.db2.gz FAAXFWPRRYYHSK-LLVKDONJSA-N 1 2 267.319 3.270 10 0 CGAELO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccc(F)cc2F)C1 ZINC000037339577 173140729 /nfs/dbraw/zinc/14/07/29/173140729.db2.gz FAAXFWPRRYYHSK-LLVKDONJSA-N 1 2 267.319 3.270 10 0 CGAELO C[C@@H]1C[NH+](Cc2cnc(-c3cccs3)s2)C[C@@H](C)O1 ZINC000127073068 287279669 /nfs/dbraw/zinc/27/96/69/287279669.db2.gz IAMVGOHURDWTBL-GHMZBOCLSA-N 1 2 294.445 3.481 10 0 CGAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038067007 174078134 /nfs/dbraw/zinc/07/81/34/174078134.db2.gz QLJHEHPLRWJVAS-IINYFYTJSA-N 1 2 269.772 3.116 10 0 CGAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000038066675 174078673 /nfs/dbraw/zinc/07/86/73/174078673.db2.gz YFVBYGGVXSNPPS-XJKSGUPXSA-N 1 2 263.381 3.080 10 0 CGAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NC1CCCCC1 ZINC000040295518 174223698 /nfs/dbraw/zinc/22/36/98/174223698.db2.gz SMHSGRNSSLCHLQ-UHFFFAOYSA-N 1 2 299.418 3.410 10 0 CGAELO CCOCCCn1c(C)[nH+]c2cc(Cl)ccc21 ZINC000040403203 174253588 /nfs/dbraw/zinc/25/35/88/174253588.db2.gz VQVPLANEDHQXKF-UHFFFAOYSA-N 1 2 252.745 3.425 10 0 CGAELO CCNc1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N ZINC000040704773 174379025 /nfs/dbraw/zinc/37/90/25/174379025.db2.gz DXXNNZBWZHPVTJ-UHFFFAOYSA-N 1 2 277.759 3.196 10 0 CGAELO CCNc1[nH+]cnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704773 174379026 /nfs/dbraw/zinc/37/90/26/174379026.db2.gz DXXNNZBWZHPVTJ-UHFFFAOYSA-N 1 2 277.759 3.196 10 0 CGAELO COC(=O)[C@H](CC(C)C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000044410705 175171314 /nfs/dbraw/zinc/17/13/14/175171314.db2.gz RKRCTJAUNOBNDG-JSGCOSHPSA-N 1 2 281.421 3.377 10 0 CGAELO C[C@@H]1CCC[N@@H+](c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265308 544114212 /nfs/dbraw/zinc/11/42/12/544114212.db2.gz ZEKNOPBOTFYRQJ-SECBINFHSA-N 1 2 256.296 3.107 10 0 CGAELO C[C@@H]1CCC[N@H+](c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265308 544114216 /nfs/dbraw/zinc/11/42/16/544114216.db2.gz ZEKNOPBOTFYRQJ-SECBINFHSA-N 1 2 256.296 3.107 10 0 CGAELO COCc1csc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000656685697 419201812 /nfs/dbraw/zinc/20/18/12/419201812.db2.gz XWYQXWVQLHPTFJ-SNVBAGLBSA-N 1 2 266.366 3.042 10 0 CGAELO CCn1cc[nH+]c1C[S@@](=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000083036366 270043038 /nfs/dbraw/zinc/04/30/38/270043038.db2.gz JIXUHISUEKKVAC-FVINQWEUSA-N 1 2 298.358 3.191 10 0 CGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncccn2)o1 ZINC000192039942 270076767 /nfs/dbraw/zinc/07/67/67/270076767.db2.gz HEOXEQJQUKFODQ-ZDUSSCGKSA-N 1 2 257.337 3.105 10 0 CGAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ncccn2)o1 ZINC000192039942 270076768 /nfs/dbraw/zinc/07/67/68/270076768.db2.gz HEOXEQJQUKFODQ-ZDUSSCGKSA-N 1 2 257.337 3.105 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)o1 ZINC000193647789 270079558 /nfs/dbraw/zinc/07/95/58/270079558.db2.gz OKPIMMCQQYPCIT-GFCCVEGCSA-N 1 2 283.331 3.489 10 0 CGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1ccccn1)C2 ZINC000177145747 278075896 /nfs/dbraw/zinc/07/58/96/278075896.db2.gz JVBOIXVJGIHFNA-CYBMUJFWSA-N 1 2 284.407 3.058 10 0 CGAELO C[C@H](O)c1[nH+]c2cc(N)ccc2n1C1CCCCC1 ZINC000019958701 290170717 /nfs/dbraw/zinc/17/07/17/290170717.db2.gz VQBOIICFTAIAQM-JTQLQIEISA-N 1 2 259.353 3.177 10 0 CGAELO Cc1nc(N[C@@H]2COc3ccccc32)c2c([nH+]1)CCCC2 ZINC000180431316 293407341 /nfs/dbraw/zinc/40/73/41/293407341.db2.gz FOBNRKSXNOJCPK-OAHLLOKOSA-N 1 2 281.359 3.209 10 0 CGAELO Cc1cc(N2CC[C@@H](O)c3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000359909952 533900710 /nfs/dbraw/zinc/90/07/10/533900710.db2.gz ZJJOPNTUTNYEAY-MRXNPFEDSA-N 1 2 295.386 3.106 10 0 CGAELO CCNc1cc(C)[nH+]c(-c2ccc(O)c(Cl)c2)n1 ZINC000050864674 520268945 /nfs/dbraw/zinc/26/89/45/520268945.db2.gz APASSSTUNJGCKR-UHFFFAOYSA-N 1 2 263.728 3.243 10 0 CGAELO CNc1cc(CSc2nc3ccccc3[nH]2)cc[nH+]1 ZINC000052756036 522568726 /nfs/dbraw/zinc/56/87/26/522568726.db2.gz CSGLSYZCFVAEIF-UHFFFAOYSA-N 1 2 270.361 3.292 10 0 CGAELO Cc1cc(N)c[nH+]c1N1c2ccccc2CC[C@@H]1C ZINC000052812227 525038952 /nfs/dbraw/zinc/03/89/52/525038952.db2.gz CVGNCRKOXLVILC-LBPRGKRZSA-N 1 2 253.349 3.445 10 0 CGAELO Cc1ccc([C@@H](C)Nc2cc(C(N)=S)cc[nH+]2)s1 ZINC000049186091 525750287 /nfs/dbraw/zinc/75/02/87/525750287.db2.gz MRLMCLKFXPKSJM-SECBINFHSA-N 1 2 277.418 3.259 10 0 CGAELO Cc1ccc([C@H](C)Nc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061812989 525949211 /nfs/dbraw/zinc/94/92/11/525949211.db2.gz AODGDCMXNRWOBV-NSHDSACASA-N 1 2 271.389 3.197 10 0 CGAELO [NH3+][C@H](c1ccccc1)c1cc(Cl)c(O)cc1F ZINC000757147598 617807128 /nfs/dbraw/zinc/80/71/28/617807128.db2.gz XUSNIHWPALVRBD-CYBMUJFWSA-N 1 2 251.688 3.233 10 0 CGAELO Cc1ccc2oc(N3CC[NH+](C/C=C/Cl)CC3)nc2c1 ZINC000135194980 637095380 /nfs/dbraw/zinc/09/53/80/637095380.db2.gz PSTOYKLNDNNGAQ-GORDUTHDSA-N 1 2 291.782 3.011 10 0 CGAELO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ncc[nH]1 ZINC000139091027 637714013 /nfs/dbraw/zinc/71/40/13/637714013.db2.gz KTQFVDBXHVMITO-DTWKUNHWSA-N 1 2 251.280 3.100 10 0 CGAELO CC[NH+](CC)[C@@H](C)CNCc1c(O)ccc(Cl)c1F ZINC000190736185 640264463 /nfs/dbraw/zinc/26/44/63/640264463.db2.gz GFDDHHJOQUQUDM-JTQLQIEISA-N 1 2 288.794 3.005 10 0 CGAELO CCN(CC)[C@@H](C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190736185 640264468 /nfs/dbraw/zinc/26/44/68/640264468.db2.gz GFDDHHJOQUQUDM-JTQLQIEISA-N 1 2 288.794 3.005 10 0 CGAELO C[N@@H+]1CCC[C@H]1c1cnc(Cl)c(Br)c1 ZINC000035032809 344941976 /nfs/dbraw/zinc/94/19/76/344941976.db2.gz CJMQCUUHBMTAKY-VIFPVBQESA-N 1 2 275.577 3.264 10 0 CGAELO C[N@H+]1CCC[C@H]1c1cnc(Cl)c(Br)c1 ZINC000035032809 344941979 /nfs/dbraw/zinc/94/19/79/344941979.db2.gz CJMQCUUHBMTAKY-VIFPVBQESA-N 1 2 275.577 3.264 10 0 CGAELO CC(C)CC[NH2+]c1ccc(N)cc1Br ZINC000043596608 345001621 /nfs/dbraw/zinc/00/16/21/345001621.db2.gz XJVXQRMSWBSKDE-UHFFFAOYSA-N 1 2 257.175 3.489 10 0 CGAELO CC1(C)CCc2nc(C[NH+]3CCCC3)nc(Cl)c2C1 ZINC000114717219 345966979 /nfs/dbraw/zinc/96/69/79/345966979.db2.gz FHKZSBJSVCTXIK-UHFFFAOYSA-N 1 2 279.815 3.241 10 0 CGAELO Nc1cc[nH+]c2c(Br)c(Cl)ccc12 ZINC000236351527 346340424 /nfs/dbraw/zinc/34/04/24/346340424.db2.gz FIWOLEXLXYRWQF-UHFFFAOYSA-N 1 2 257.518 3.233 10 0 CGAELO CC(C)N1C[C@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616591757 348838796 /nfs/dbraw/zinc/83/87/96/348838796.db2.gz FUGHJYXUUNSXBE-OAHLLOKOSA-N 1 2 267.376 3.333 10 0 CGAELO CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616629045 348851504 /nfs/dbraw/zinc/85/15/04/348851504.db2.gz KSZHUZNLFANDAY-ZDUSSCGKSA-N 1 2 291.395 3.283 10 0 CGAELO CCN1CC[C@@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616672079 348862233 /nfs/dbraw/zinc/86/22/33/348862233.db2.gz KRXJPVSMXNYONC-GFCCVEGCSA-N 1 2 253.349 3.026 10 0 CGAELO CC(C)(C)N1C[C@@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616680284 348865700 /nfs/dbraw/zinc/86/57/00/348865700.db2.gz AOVBEVSWMHGAPK-LBPRGKRZSA-N 1 2 256.353 3.181 10 0 CGAELO COc1ccc([C@H](C)[NH2+]Cc2cscn2)c(F)c1 ZINC000104433647 186000819 /nfs/dbraw/zinc/00/08/19/186000819.db2.gz XNCBJYIMXLNTGI-VIFPVBQESA-N 1 2 266.341 3.142 10 0 CGAELO CSC[C@@H](C)N(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000123165347 187074840 /nfs/dbraw/zinc/07/48/40/187074840.db2.gz QQQNSEALOYJPHJ-GFCCVEGCSA-N 1 2 288.420 3.035 10 0 CGAELO Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)c(C)c1 ZINC000176943046 189015763 /nfs/dbraw/zinc/01/57/63/189015763.db2.gz JBRYMXLEDQKCGX-UHFFFAOYSA-N 1 2 292.404 3.055 10 0 CGAELO Cc1cc(NC(=O)N[C@H](C)COCc2ccccc2)cc[nH+]1 ZINC000179807877 189221039 /nfs/dbraw/zinc/22/10/39/189221039.db2.gz HRIHLORPMLMZQB-CQSZACIVSA-N 1 2 299.374 3.117 10 0 CGAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)o1 ZINC000182577375 189328198 /nfs/dbraw/zinc/32/81/98/189328198.db2.gz YNKODQDMHHSLET-RYUDHWBXSA-N 1 2 298.346 3.445 10 0 CGAELO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000120938963 370814827 /nfs/dbraw/zinc/81/48/27/370814827.db2.gz ARHUCAVZUVKDBJ-CYBMUJFWSA-N 1 2 271.320 3.352 10 0 CGAELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000114745729 370510353 /nfs/dbraw/zinc/51/03/53/370510353.db2.gz IRUUQHPCHPFGLH-DTWKUNHWSA-N 1 2 281.306 3.322 10 0 CGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1cccc(F)c1 ZINC000116297149 370556017 /nfs/dbraw/zinc/55/60/17/370556017.db2.gz WRPVXTWTIUKOHE-CQSZACIVSA-N 1 2 288.322 3.194 10 0 CGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1cccc(F)c1 ZINC000116297149 370556021 /nfs/dbraw/zinc/55/60/21/370556021.db2.gz WRPVXTWTIUKOHE-CQSZACIVSA-N 1 2 288.322 3.194 10 0 CGAELO c1cc(-c2ccc(CNc3cccc[nH+]3)cc2)n[nH]1 ZINC000040768720 541870024 /nfs/dbraw/zinc/87/00/24/541870024.db2.gz QXHCSNCNRNBECO-UHFFFAOYSA-N 1 2 250.305 3.084 10 0 CGAELO CC(C)n1cc[nH+]c1CN1c2ccccc2OC[C@@H]1C ZINC000173801215 373192361 /nfs/dbraw/zinc/19/23/61/373192361.db2.gz KLGKUMLEADQDED-ZDUSSCGKSA-N 1 2 271.364 3.252 10 0 CGAELO CC(C)Cc1noc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000175288011 373446146 /nfs/dbraw/zinc/44/61/46/373446146.db2.gz TYNWLKKKZPKCKQ-UHFFFAOYSA-N 1 2 294.424 3.479 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@](=O)C/C=C/c1ccccc1 ZINC000176820233 373632003 /nfs/dbraw/zinc/63/20/03/373632003.db2.gz DLLUJYGDHAQTGP-AQDCRGGLSA-N 1 2 288.416 3.426 10 0 CGAELO CC(C)CC1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC1 ZINC000176930070 373642865 /nfs/dbraw/zinc/64/28/65/373642865.db2.gz BSFOPTILHPVXHD-AWEZNQCLSA-N 1 2 289.423 3.093 10 0 CGAELO CCO[C@H]1C[C@@H]([NH2+]c2ccc(OC)cc2)C12CCOCC2 ZINC000186446325 374852368 /nfs/dbraw/zinc/85/23/68/374852368.db2.gz KQZXBAYHCSXMCN-CVEARBPZSA-N 1 2 291.391 3.081 10 0 CGAELO CCCCOC[C@H](O)Cn1c(CCC)[nH+]c2ccccc21 ZINC000193254731 375847605 /nfs/dbraw/zinc/84/76/05/375847605.db2.gz ZIDILNOUVSFBKS-CQSZACIVSA-N 1 2 290.407 3.166 10 0 CGAELO c1coc(-c2cc(C[NH+]3CCC(c4ccn[nH]4)CC3)no2)c1 ZINC000195513420 376108286 /nfs/dbraw/zinc/10/82/86/376108286.db2.gz SKSQKCLHMJLWKM-UHFFFAOYSA-N 1 2 298.346 3.037 10 0 CGAELO CCn1cc[nH+]c1CSCc1cccc(OC)c1 ZINC000195517590 376109954 /nfs/dbraw/zinc/10/99/54/376109954.db2.gz LFLYOQBIJCFNLR-UHFFFAOYSA-N 1 2 262.378 3.345 10 0 CGAELO COc1cccc2c1cc[nH+]c2N[C@H](C)[C@@H]1CCCO1 ZINC000235043590 376629602 /nfs/dbraw/zinc/62/96/02/376629602.db2.gz MSZUSQQOMRFSFH-RISCZKNCSA-N 1 2 272.348 3.223 10 0 CGAELO C[C@@H]1CCCN(c2cc(NC3CCCCC3)[nH+]cn2)C1 ZINC000243146143 376784538 /nfs/dbraw/zinc/78/45/38/376784538.db2.gz JLSBBACAKXGPGZ-CYBMUJFWSA-N 1 2 274.412 3.458 10 0 CGAELO C[C@@H]1CCCN(c2cc(NC3CCCCC3)nc[nH+]2)C1 ZINC000243146143 376784546 /nfs/dbraw/zinc/78/45/46/376784546.db2.gz JLSBBACAKXGPGZ-CYBMUJFWSA-N 1 2 274.412 3.458 10 0 CGAELO Clc1cccc([C@H]2C[N@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000249035554 377446701 /nfs/dbraw/zinc/44/67/01/377446701.db2.gz SLNVUCBXHYLYBM-HZPDHXFCSA-N 1 2 293.794 3.406 10 0 CGAELO Clc1cccc([C@H]2C[N@@H+](C[C@H]3CCC=CO3)CCO2)c1 ZINC000249035554 377446711 /nfs/dbraw/zinc/44/67/11/377446711.db2.gz SLNVUCBXHYLYBM-HZPDHXFCSA-N 1 2 293.794 3.406 10 0 CGAELO Cc1csc([C@@H]2C[N@H+](Cc3sccc3C)CCO2)n1 ZINC000092790170 249035455 /nfs/dbraw/zinc/03/54/55/249035455.db2.gz DAQKEEHVJUDIHA-LBPRGKRZSA-N 1 2 294.445 3.395 10 0 CGAELO Cc1csc([C@@H]2C[N@@H+](Cc3sccc3C)CCO2)n1 ZINC000092790170 249035459 /nfs/dbraw/zinc/03/54/59/249035459.db2.gz DAQKEEHVJUDIHA-LBPRGKRZSA-N 1 2 294.445 3.395 10 0 CGAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094837094 249042044 /nfs/dbraw/zinc/04/20/44/249042044.db2.gz FVJRFYWTCARBEQ-SWLSCSKDSA-N 1 2 281.371 3.372 10 0 CGAELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1F ZINC000181347978 542218363 /nfs/dbraw/zinc/21/83/63/542218363.db2.gz CYXKECDAAUWJKW-NSHDSACASA-N 1 2 277.343 3.491 10 0 CGAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000643772653 380379167 /nfs/dbraw/zinc/37/91/67/380379167.db2.gz MIWWEKYXFDHQLB-SJORKVTESA-N 1 2 297.402 3.249 10 0 CGAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000643772653 380379168 /nfs/dbraw/zinc/37/91/68/380379168.db2.gz MIWWEKYXFDHQLB-SJORKVTESA-N 1 2 297.402 3.249 10 0 CGAELO CCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)s1 ZINC000220907986 542288410 /nfs/dbraw/zinc/28/84/10/542288410.db2.gz ORJRHGNPAFPYAY-SNVBAGLBSA-N 1 2 250.367 3.458 10 0 CGAELO CCC1CCC(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000333891234 542453689 /nfs/dbraw/zinc/45/36/89/542453689.db2.gz YTFRITPCEYWNGN-RYSNWHEDSA-N 1 2 290.411 3.157 10 0 CGAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cs1 ZINC000189771646 130020878 /nfs/dbraw/zinc/02/08/78/130020878.db2.gz MPKAUMULZHJXSW-AWEZNQCLSA-N 1 2 259.378 3.184 10 0 CGAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccncc2)cs1 ZINC000189771646 130020881 /nfs/dbraw/zinc/02/08/81/130020881.db2.gz MPKAUMULZHJXSW-AWEZNQCLSA-N 1 2 259.378 3.184 10 0 CGAELO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000049368819 392044114 /nfs/dbraw/zinc/04/41/14/392044114.db2.gz JXFUGRSAUBHHIS-OLZOCXBDSA-N 1 2 271.360 3.442 10 0 CGAELO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000371670994 392544423 /nfs/dbraw/zinc/54/44/23/392544423.db2.gz HIJDXPDLRHHAPN-VXGBXAGGSA-N 1 2 282.409 3.012 10 0 CGAELO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000371670994 392544427 /nfs/dbraw/zinc/54/44/27/392544427.db2.gz HIJDXPDLRHHAPN-VXGBXAGGSA-N 1 2 282.409 3.012 10 0 CGAELO C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177806608 392668809 /nfs/dbraw/zinc/66/88/09/392668809.db2.gz ZWBRSUIHUHYTSJ-GOEBONIOSA-N 1 2 289.423 3.091 10 0 CGAELO CCC[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195016353 392953024 /nfs/dbraw/zinc/95/30/24/392953024.db2.gz KNHYGSHPUJQEDA-UHFFFAOYSA-N 1 2 284.407 3.105 10 0 CGAELO CCC[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195016353 392953029 /nfs/dbraw/zinc/95/30/29/392953029.db2.gz KNHYGSHPUJQEDA-UHFFFAOYSA-N 1 2 284.407 3.105 10 0 CGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000220878163 393004716 /nfs/dbraw/zinc/00/47/16/393004716.db2.gz CUOOXNCCYXUHPV-JTQLQIEISA-N 1 2 250.729 3.487 10 0 CGAELO O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000281981986 296565733 /nfs/dbraw/zinc/56/57/33/296565733.db2.gz VBNQLERRWZRELN-QANKJYHBSA-N 1 2 297.402 3.150 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000077366318 287039261 /nfs/dbraw/zinc/03/92/61/287039261.db2.gz STBNCADMJYYBFH-TXEJJXNPSA-N 1 2 290.338 3.090 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000077366318 287039264 /nfs/dbraw/zinc/03/92/64/287039264.db2.gz STBNCADMJYYBFH-TXEJJXNPSA-N 1 2 290.338 3.090 10 0 CGAELO C[NH2+][C@@H](c1occc1C)c1c(F)cc(F)cc1F ZINC000035469390 172219555 /nfs/dbraw/zinc/21/95/55/172219555.db2.gz YTBVCRQTUNXJPZ-GFCCVEGCSA-N 1 2 255.239 3.314 10 0 CGAELO C[NH2+][C@H](c1occc1C)c1c(F)cc(F)cc1F ZINC000035469391 172219652 /nfs/dbraw/zinc/21/96/52/172219652.db2.gz YTBVCRQTUNXJPZ-LBPRGKRZSA-N 1 2 255.239 3.314 10 0 CGAELO CC[NH2+][C@](C)(C(=O)OCC)c1ccc(C(C)C)cc1 ZINC000037447240 173214900 /nfs/dbraw/zinc/21/49/00/173214900.db2.gz IMUPXEWSWYFGGD-INIZCTEOSA-N 1 2 263.381 3.198 10 0 CGAELO CCc1ccc([C@@](C)([NH2+][C@@H](C)CC)C(=O)OC)cc1 ZINC000038066783 174078311 /nfs/dbraw/zinc/07/83/11/174078311.db2.gz UKWCKVAEUHJOGF-BLLLJJGKSA-N 1 2 263.381 3.025 10 0 CGAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038067006 174078354 /nfs/dbraw/zinc/07/83/54/174078354.db2.gz QLJHEHPLRWJVAS-QMTHXVAHSA-N 1 2 269.772 3.116 10 0 CGAELO CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C(C)C)cc1 ZINC000038067214 174079225 /nfs/dbraw/zinc/07/92/25/174079225.db2.gz ASPIUFDZQWHKSK-DOMZBBRYSA-N 1 2 263.381 3.412 10 0 CGAELO CCOC(=O)[C@@](CC)([NH2+][C@H](C)CC)c1ccccc1 ZINC000038067750 174079913 /nfs/dbraw/zinc/07/99/13/174079913.db2.gz PCKDNMGNUCXKMT-CJNGLKHVSA-N 1 2 263.381 3.243 10 0 CGAELO COCCCn1c(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040402579 174253772 /nfs/dbraw/zinc/25/37/72/174253772.db2.gz BHUAAYKAFPVSSQ-UHFFFAOYSA-N 1 2 272.270 3.400 10 0 CGAELO CC(C)Nc1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040708290 174380111 /nfs/dbraw/zinc/38/01/11/174380111.db2.gz BDGPYERTQMSTAP-UHFFFAOYSA-N 1 2 295.749 3.415 10 0 CGAELO CC(C)Nc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040708290 174380112 /nfs/dbraw/zinc/38/01/12/174380112.db2.gz BDGPYERTQMSTAP-UHFFFAOYSA-N 1 2 295.749 3.415 10 0 CGAELO C[C@H](NC(=O)N1CCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470729 177025303 /nfs/dbraw/zinc/02/53/03/177025303.db2.gz QOJIVHQCULOOLS-KBPBESRZSA-N 1 2 298.390 3.127 10 0 CGAELO CCOC(=O)c1ccc(-c2[nH]c3cc(C)c(N)cc3[nH+]2)cc1 ZINC000078400744 177337566 /nfs/dbraw/zinc/33/75/66/177337566.db2.gz VMTQQNBZLFVSCV-UHFFFAOYSA-N 1 2 295.342 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C[C@H](C(=O)c1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000037333068 173134697 /nfs/dbraw/zinc/13/46/97/173134697.db2.gz QVTDQDXAJGXBER-SNVBAGLBSA-N 1 2 253.292 3.022 10 0 CGAELO CCC[NH2+][C@@](C)(C(=O)OC)c1ccc(CCC)cc1 ZINC000037459196 173224230 /nfs/dbraw/zinc/22/42/30/173224230.db2.gz VJFAIUMJMVWPOL-MRXNPFEDSA-N 1 2 263.381 3.027 10 0 CGAELO CC[C@@]([NH2+]CC(C)C)(C(=O)OC)c1cccc(Cl)c1 ZINC000037965771 173911233 /nfs/dbraw/zinc/91/12/33/173911233.db2.gz MKEMAWIXTXDXIS-HNNXBMFYSA-N 1 2 283.799 3.364 10 0 CGAELO CCOc1ccc([C@](C)([NH2+]C2CCCC2)C(=O)OC)cc1 ZINC000037969885 173919370 /nfs/dbraw/zinc/91/93/70/173919370.db2.gz UJZSVVFNPXYSNQ-KRWDZBQOSA-N 1 2 291.391 3.006 10 0 CGAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000038066687 174078399 /nfs/dbraw/zinc/07/83/99/174078399.db2.gz YZMXFSOJKMPDKG-XJKSGUPXSA-N 1 2 263.381 3.080 10 0 CGAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000038066674 174078515 /nfs/dbraw/zinc/07/85/15/174078515.db2.gz YFVBYGGVXSNPPS-CZUORRHYSA-N 1 2 263.381 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CGAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccccc1 ZINC000040761267 174397051 /nfs/dbraw/zinc/39/70/51/174397051.db2.gz OECHHNSGMUYUQL-UHFFFAOYSA-N 1 2 281.319 3.008 10 0 CGAELO Nc1c(Nc2ccccc2)nc[nH+]c1NCc1ccco1 ZINC000040761267 174397052 /nfs/dbraw/zinc/39/70/52/174397052.db2.gz OECHHNSGMUYUQL-UHFFFAOYSA-N 1 2 281.319 3.008 10 0 CGAELO CCC[C@H]([NH2+][C@H](C)C(=O)OCC)c1cccs1 ZINC000043637986 175083633 /nfs/dbraw/zinc/08/36/33/175083633.db2.gz AREFPVWLVHDPNF-MNOVXSKESA-N 1 2 255.383 3.131 10 0 CGAELO CCCc1nccnc1NCc1c[nH+]c(C)cc1C ZINC000663986114 419789023 /nfs/dbraw/zinc/78/90/23/419789023.db2.gz SESKASUYGAZYQW-UHFFFAOYSA-N 1 2 256.353 3.053 10 0 CGAELO COCCOc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321877431 270093295 /nfs/dbraw/zinc/09/32/95/270093295.db2.gz IRWUOOUSFYQWAS-BFHYXJOUSA-N 1 2 263.381 3.477 10 0 CGAELO COCCOc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321877820 270093398 /nfs/dbraw/zinc/09/33/98/270093398.db2.gz IRWUOOUSFYQWAS-MGPQQGTHSA-N 1 2 263.381 3.477 10 0 CGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(F)c1F ZINC000183303861 293526554 /nfs/dbraw/zinc/52/65/54/293526554.db2.gz NLEXQTFYZFLUPG-NOZJJQNGSA-N 1 2 292.333 3.050 10 0 CGAELO CCn1c(C)nnc1C[N@H+](Cc1ccccc1)C(C)C ZINC000195044185 336043454 /nfs/dbraw/zinc/04/34/54/336043454.db2.gz JARNYNKTVFGBGL-UHFFFAOYSA-N 1 2 272.396 3.017 10 0 CGAELO CCn1c(C)nnc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000195044185 336043455 /nfs/dbraw/zinc/04/34/55/336043455.db2.gz JARNYNKTVFGBGL-UHFFFAOYSA-N 1 2 272.396 3.017 10 0 CGAELO CC(C)c1nnc(C[N@H+](C)[C@@H](C)c2cccs2)n1C ZINC000195084495 336044631 /nfs/dbraw/zinc/04/46/31/336044631.db2.gz LIULHTVAAMVWBS-NSHDSACASA-N 1 2 278.425 3.193 10 0 CGAELO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)c2cccs2)n1C ZINC000195084495 336044633 /nfs/dbraw/zinc/04/46/33/336044633.db2.gz LIULHTVAAMVWBS-NSHDSACASA-N 1 2 278.425 3.193 10 0 CGAELO CCOc1ccc(OCc2ccc(NC)[nH+]c2)cc1 ZINC000050830637 521180728 /nfs/dbraw/zinc/18/07/28/521180728.db2.gz UNAIVVXXSHONKK-UHFFFAOYSA-N 1 2 258.321 3.101 10 0 CGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1F ZINC000088560127 522518323 /nfs/dbraw/zinc/51/83/23/522518323.db2.gz AAYBJGMIMHRLFE-BXUZGUMPSA-N 1 2 288.370 3.165 10 0 CGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1F ZINC000088560125 522518885 /nfs/dbraw/zinc/51/88/85/522518885.db2.gz AAYBJGMIMHRLFE-SMDDNHRTSA-N 1 2 288.370 3.165 10 0 CGAELO CNc1cc(C)[nH+]c(-c2ccc(OC(C)C)cc2)n1 ZINC000050864541 522564692 /nfs/dbraw/zinc/56/46/92/522564692.db2.gz RUTRHIBDNBHEAM-UHFFFAOYSA-N 1 2 257.337 3.281 10 0 CGAELO CNc1[nH+]cccc1COc1cccc(Br)c1 ZINC000052754515 522712428 /nfs/dbraw/zinc/71/24/28/522712428.db2.gz UBJMSAZKSHNXTG-UHFFFAOYSA-N 1 2 293.164 3.465 10 0 CGAELO COc1ccc(Cl)cc1NCCCn1cc[nH+]c1 ZINC000049327732 524243221 /nfs/dbraw/zinc/24/32/21/524243221.db2.gz IHKSXIKWWWBJKY-UHFFFAOYSA-N 1 2 265.744 3.047 10 0 CGAELO C[C@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccc(F)cc1 ZINC000061812941 525671654 /nfs/dbraw/zinc/67/16/54/525671654.db2.gz GREHDLDAXFUIIW-VIFPVBQESA-N 1 2 275.352 3.028 10 0 CGAELO Cc1ccc([C@H](C)Nc2[nH+]cccc2C(N)=S)s1 ZINC000049186088 525949388 /nfs/dbraw/zinc/94/93/88/525949388.db2.gz FZNKRXBIXOCXND-VIFPVBQESA-N 1 2 277.418 3.259 10 0 CGAELO Fc1ccc(NCc2c[nH+]c[nH]2)cc1C(F)(F)F ZINC000054765174 526353605 /nfs/dbraw/zinc/35/36/05/526353605.db2.gz LQWGDGXEZMTJKD-UHFFFAOYSA-N 1 2 259.206 3.180 10 0 CGAELO Fc1ccc(NCc2c[nH]c[nH+]2)cc1C(F)(F)F ZINC000054765174 526353611 /nfs/dbraw/zinc/35/36/11/526353611.db2.gz LQWGDGXEZMTJKD-UHFFFAOYSA-N 1 2 259.206 3.180 10 0 CGAELO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1csnn1 ZINC000398408374 572500883 /nfs/dbraw/zinc/50/08/83/572500883.db2.gz KGSKLPQBKHWKKJ-CQSZACIVSA-N 1 2 273.405 3.341 10 0 CGAELO Cc1ccc(C=O)cc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000032004327 623800508 /nfs/dbraw/zinc/80/05/08/623800508.db2.gz XYVJDILXUOJXCL-UHFFFAOYSA-N 1 2 295.382 3.307 10 0 CGAELO CCN(CC)c1nc(NC(C)C)c2ccccc2[nH+]1 ZINC000096205506 640824677 /nfs/dbraw/zinc/82/46/77/640824677.db2.gz FGSMGQHCKAFOTK-UHFFFAOYSA-N 1 2 258.369 3.296 10 0 CGAELO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C ZINC000112460271 299089579 /nfs/dbraw/zinc/08/95/79/299089579.db2.gz VOZQWOMZFQCPEO-NWDGAFQWSA-N 1 2 278.400 3.081 10 0 CGAELO Cc1cc(N[C@H](CO)c2ccco2)c2cccc(F)c2[nH+]1 ZINC000128106077 187352284 /nfs/dbraw/zinc/35/22/84/187352284.db2.gz ABMHZHFFOPSUGX-CQSZACIVSA-N 1 2 286.306 3.421 10 0 CGAELO Cc1cc(N[C@@H](C)[C@H](C)CO)c2cccc(F)c2[nH+]1 ZINC000127033593 187278010 /nfs/dbraw/zinc/27/80/10/187278010.db2.gz BCHKQZDMHOHVHS-KOLCDFICSA-N 1 2 262.328 3.111 10 0 CGAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000037272417 344948807 /nfs/dbraw/zinc/94/88/07/344948807.db2.gz HULQCOBGLMSHSV-VIFPVBQESA-N 1 2 295.285 3.195 10 0 CGAELO O=c1[nH]c([NH2+]Cc2ccccc2)cc2ccccc21 ZINC000037499058 344950661 /nfs/dbraw/zinc/95/06/61/344950661.db2.gz NIDMERCGKPXLDI-UHFFFAOYSA-N 1 2 250.301 3.140 10 0 CGAELO Cc1ccc([C@@H]2[NH2+]CCCS2)c(Br)c1 ZINC000129759802 346051966 /nfs/dbraw/zinc/05/19/66/346051966.db2.gz SXVSBBUPKNJIAG-LLVKDONJSA-N 1 2 272.211 3.483 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291.395 3.346 10 0 CGAELO CO[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616676950 348863896 /nfs/dbraw/zinc/86/38/96/348863896.db2.gz SHEAOTAHBACZAH-KRWDZBQOSA-N 1 2 253.345 3.390 10 0 CGAELO CO[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616676950 348863900 /nfs/dbraw/zinc/86/39/00/348863900.db2.gz SHEAOTAHBACZAH-KRWDZBQOSA-N 1 2 253.345 3.390 10 0 CGAELO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2Cl)o1 ZINC000625321683 350158731 /nfs/dbraw/zinc/15/87/31/350158731.db2.gz ZSCLMWQALDXFDR-JTQLQIEISA-N 1 2 250.729 3.487 10 0 CGAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC000181538175 189299714 /nfs/dbraw/zinc/29/97/14/189299714.db2.gz QYMNKQKIRSETMF-NSHDSACASA-N 1 2 257.337 3.106 10 0 CGAELO COC(=O)[C@@H]([NH2+]C1CCCC1)c1c(C)cc(C)cc1C ZINC000037970155 291264358 /nfs/dbraw/zinc/26/43/58/291264358.db2.gz VPULEYZYURYNBD-INIZCTEOSA-N 1 2 275.392 3.358 10 0 CGAELO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C(C)(C)C ZINC000301731060 201163562 /nfs/dbraw/zinc/16/35/62/201163562.db2.gz SLYPFOHUBMUWIV-CQSZACIVSA-N 1 2 258.365 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ZINC000249707903 377523843 /nfs/dbraw/zinc/52/38/43/377523843.db2.gz BVALDOBHBHPJDT-CABCVRRESA-N 1 2 267.319 3.108 10 0 CGAELO Cc1csc([C@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000092790329 249034928 /nfs/dbraw/zinc/03/49/28/249034928.db2.gz AZBVCRJFNALYKD-GFCCVEGCSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1csc([C@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000092790329 249034931 /nfs/dbraw/zinc/03/49/31/249034931.db2.gz AZBVCRJFNALYKD-GFCCVEGCSA-N 1 2 280.418 3.087 10 0 CGAELO CC(C)[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195044114 392954872 /nfs/dbraw/zinc/95/48/72/392954872.db2.gz WNFGFFMFBLOIBZ-UHFFFAOYSA-N 1 2 284.407 3.103 10 0 CGAELO CC(C)[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195044114 392954876 /nfs/dbraw/zinc/95/48/76/392954876.db2.gz WNFGFFMFBLOIBZ-UHFFFAOYSA-N 1 2 284.407 3.103 10 0 CGAELO CCc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176336746 397660795 /nfs/dbraw/zinc/66/07/95/397660795.db2.gz ZDMUBQRWRJGFQE-OAHLLOKOSA-N 1 2 298.390 3.142 10 0 CGAELO 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369543048 /nfs/dbraw/zinc/54/30/48/369543048.db2.gz OXFIMWQTDCVZIX-UHFFFAOYSA-N 1 2 286.375 3.469 10 0 CGAELO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1c(F)cccc1F ZINC000062999144 369633195 /nfs/dbraw/zinc/63/31/95/369633195.db2.gz WQLWFTFCTIHMBH-XHDPSFHLSA-N 1 2 277.314 3.349 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)o1 ZINC000066970228 369709047 /nfs/dbraw/zinc/70/90/47/369709047.db2.gz NFZCIWQLSMYADE-GFCCVEGCSA-N 1 2 269.348 3.326 10 0 CGAELO c1csc(-c2n[nH]cc2-c2ccc3[nH+]ccn3c2)c1 ZINC000089201377 370039860 /nfs/dbraw/zinc/03/98/60/370039860.db2.gz LENYBSITXFHAEB-UHFFFAOYSA-N 1 2 266.329 3.453 10 0 CGAELO CC[C@@H]([NH2+][C@@H](C)c1ccc(C(C)C)cc1)C(=O)OC ZINC000097992698 370259014 /nfs/dbraw/zinc/25/90/14/370259014.db2.gz DFMPBYIAWQZKBE-SWLSCSKDSA-N 1 2 263.381 3.412 10 0 CGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccccc1)C2 ZINC000112712462 370444791 /nfs/dbraw/zinc/44/47/91/370444791.db2.gz WUDZWTAVDOHORR-UHFFFAOYSA-N 1 2 298.390 3.134 10 0 CGAELO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1ccn[nH]1 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CC(C)N1c2ccccc2CC[C@H]1c1cc[nH+]c(N)c1 ZINC000616592863 348838681 /nfs/dbraw/zinc/83/86/81/348838681.db2.gz JAGNUSSMGVBIDO-INIZCTEOSA-N 1 2 267.376 3.396 10 0 CGAELO COc1cccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616639622 348853236 /nfs/dbraw/zinc/85/32/36/348853236.db2.gz QPZBLUQZPMEUAQ-SFHVURJKSA-N 1 2 283.371 3.269 10 0 CGAELO COc1cccc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616639622 348853239 /nfs/dbraw/zinc/85/32/39/348853239.db2.gz QPZBLUQZPMEUAQ-SFHVURJKSA-N 1 2 283.371 3.269 10 0 CGAELO Nc1ccc([NH2+]CCc2cscn2)cc1C(F)(F)F ZINC000104438876 186002391 /nfs/dbraw/zinc/00/23/91/186002391.db2.gz YQRVLCIEIHPALS-UHFFFAOYSA-N 1 2 287.310 3.399 10 0 CGAELO Cc1ccc(NC2CCC(O)(C(F)(F)F)CC2)c[nH+]1 ZINC000336505491 213379845 /nfs/dbraw/zinc/37/98/45/213379845.db2.gz HIWORDKRHREQSH-UHFFFAOYSA-N 1 2 274.286 3.038 10 0 CGAELO Cc1[nH+]cccc1N[C@H](C)c1ccc2c(c1)CCO2 ZINC000091495683 138344200 /nfs/dbraw/zinc/34/42/00/138344200.db2.gz PMYNOIBGBYPNPK-LLVKDONJSA-N 1 2 254.333 3.498 10 0 CGAELO CCCn1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000127677643 138390398 /nfs/dbraw/zinc/39/03/98/138390398.db2.gz UPZFAEXYIBNPHP-AWEZNQCLSA-N 1 2 290.436 3.477 10 0 CGAELO CCCn1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000127677643 138390400 /nfs/dbraw/zinc/39/04/00/138390400.db2.gz UPZFAEXYIBNPHP-AWEZNQCLSA-N 1 2 290.436 3.477 10 0 CGAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181395078 189295563 /nfs/dbraw/zinc/29/55/63/189295563.db2.gz YAMCNTYHDJHJCR-LBPRGKRZSA-N 1 2 289.379 3.264 10 0 CGAELO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c(C)c1 ZINC000182704675 189332173 /nfs/dbraw/zinc/33/21/73/189332173.db2.gz DTRYQUOPXDFXAC-MRXNPFEDSA-N 1 2 284.407 3.457 10 0 CGAELO Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c(C)c1 ZINC000182704675 189332174 /nfs/dbraw/zinc/33/21/74/189332174.db2.gz DTRYQUOPXDFXAC-MRXNPFEDSA-N 1 2 284.407 3.457 10 0 CGAELO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2nc[nH]n2)c(C)c1 ZINC000182704675 189332175 /nfs/dbraw/zinc/33/21/75/189332175.db2.gz DTRYQUOPXDFXAC-MRXNPFEDSA-N 1 2 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10 0 CGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCC3)o1 ZINC000220908146 376210519 /nfs/dbraw/zinc/21/05/19/376210519.db2.gz WFDZQVIFPQTANK-LBPRGKRZSA-N 1 2 256.349 3.323 10 0 CGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)o1 ZINC000220904552 376210960 /nfs/dbraw/zinc/21/09/60/376210960.db2.gz HVRAKEONWMUTSJ-VIFPVBQESA-N 1 2 252.264 3.112 10 0 CGAELO CCCC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)OC ZINC000230486157 376521125 /nfs/dbraw/zinc/52/11/25/376521125.db2.gz GDYIOOIVYBYIDJ-JKSUJKDBSA-N 1 2 275.392 3.385 10 0 CGAELO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H](c2ccsc2)O1 ZINC000246337871 377012449 /nfs/dbraw/zinc/01/24/49/377012449.db2.gz DXNJYCGOCKMBDQ-WKLDVVIOSA-N 1 2 257.786 3.262 10 0 CGAELO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H](c2ccsc2)O1 ZINC000246337871 377012455 /nfs/dbraw/zinc/01/24/55/377012455.db2.gz DXNJYCGOCKMBDQ-WKLDVVIOSA-N 1 2 257.786 3.262 10 0 CGAELO COc1ccnc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1OC ZINC000249157905 377471761 /nfs/dbraw/zinc/47/17/61/377471761.db2.gz 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FFTKROAZDANAKC-INIZCTEOSA-N 1 2 275.323 3.301 10 0 CGAELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)o1 ZINC000158833980 392577566 /nfs/dbraw/zinc/57/75/66/392577566.db2.gz FFTKROAZDANAKC-INIZCTEOSA-N 1 2 275.323 3.301 10 0 CGAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000192748483 392860407 /nfs/dbraw/zinc/86/04/07/392860407.db2.gz ITJVMXJNLFBILN-LBPRGKRZSA-N 1 2 288.395 3.110 10 0 CGAELO CC[C@H]([NH2+][C@@H]1CC[C@H](C)c2ccccc21)C(=O)OC ZINC000192860493 392862110 /nfs/dbraw/zinc/86/21/10/392862110.db2.gz SLBAYOSYBTWSNK-TUKIKUTGSA-N 1 2 261.365 3.166 10 0 CGAELO c1c2ccccc2sc1[C@@H]1CN2CCSC2=[NH+]1 ZINC000096029033 296600441 /nfs/dbraw/zinc/60/04/41/296600441.db2.gz KTWDBZSFGOVAJT-JTQLQIEISA-N 1 2 260.387 3.361 10 0 CGAELO C[C@@H](CC1CC1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077446389 165122076 /nfs/dbraw/zinc/12/20/76/165122076.db2.gz IYBACQXHUFPPFJ-LBPRGKRZSA-N 1 2 298.390 3.397 10 0 CGAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2c[nH]cn2)o1 ZINC000093459114 165329889 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CCOC(=O)c1c[nH+]c2cc(Cl)c(C)cc2c1NC ZINC000072237426 176346009 /nfs/dbraw/zinc/34/60/09/176346009.db2.gz NXLXGWORDAFDBZ-UHFFFAOYSA-N 1 2 278.739 3.415 10 0 CGAELO Cc1ccc([C@H](C)NC(=O)c2ccc3[nH+]ccn3c2)cc1F ZINC000088235541 260425112 /nfs/dbraw/zinc/42/51/12/260425112.db2.gz XWEZMHQBIYQKQE-LBPRGKRZSA-N 1 2 297.333 3.273 10 0 CGAELO CCOC(=O)c1c[nH+]c2c(C)ccc(Cl)c2c1N(C)C ZINC000053994874 276446256 /nfs/dbraw/zinc/44/62/56/276446256.db2.gz OYLRQRCXBLIVFP-UHFFFAOYSA-N 1 2 292.766 3.439 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2C(F)F)o1 ZINC000037980935 301710902 /nfs/dbraw/zinc/71/09/02/301710902.db2.gz RYDWXVFBWGBGRJ-SECBINFHSA-N 1 2 255.268 3.030 10 0 CGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1F ZINC000088560124 522513033 /nfs/dbraw/zinc/51/30/33/522513033.db2.gz AAYBJGMIMHRLFE-FZMZJTMJSA-N 1 2 288.370 3.165 10 0 CGAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)n1C ZINC000183774963 522738921 /nfs/dbraw/zinc/73/89/21/522738921.db2.gz CJUAJOXAAONHNW-VIFPVBQESA-N 1 2 296.777 3.021 10 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OCC[C@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000274981325 527571804 /nfs/dbraw/zinc/57/18/04/527571804.db2.gz BTJFVWMBLHPXOX-UKRRQHHQSA-N 1 2 256.349 3.198 10 0 CGAELO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000181179715 624822478 /nfs/dbraw/zinc/82/24/78/624822478.db2.gz NQDFUHALROLSLR-LBPRGKRZSA-N 1 2 270.332 3.218 10 0 CGAELO CCOC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127761082 187331263 /nfs/dbraw/zinc/33/12/63/187331263.db2.gz WBRAEUQNAXHOPC-LBPRGKRZSA-N 1 2 296.436 3.009 10 0 CGAELO CCOC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127761082 187331264 /nfs/dbraw/zinc/33/12/64/187331264.db2.gz WBRAEUQNAXHOPC-LBPRGKRZSA-N 1 2 296.436 3.009 10 0 CGAELO CCc1nnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)o1 ZINC000124792789 187153940 /nfs/dbraw/zinc/15/39/40/187153940.db2.gz DIRSNOYWSSDRTK-GFCCVEGCSA-N 1 2 275.352 3.261 10 0 CGAELO CCc1nnc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)o1 ZINC000124792789 187153941 /nfs/dbraw/zinc/15/39/41/187153941.db2.gz DIRSNOYWSSDRTK-GFCCVEGCSA-N 1 2 275.352 3.261 10 0 CGAELO CCC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OCC ZINC000083459936 178482345 /nfs/dbraw/zinc/48/23/45/178482345.db2.gz FJLXRZBMXQXBOF-HIFRSBDPSA-N 1 2 263.381 3.112 10 0 CGAELO CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000025411173 344902451 /nfs/dbraw/zinc/90/24/51/344902451.db2.gz UIDRWRSXDRLKAY-ZIAGYGMSSA-N 1 2 289.419 3.424 10 0 CGAELO COC(=O)c1occc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000037272419 344948762 /nfs/dbraw/zinc/94/87/62/344948762.db2.gz HULQCOBGLMSHSV-SECBINFHSA-N 1 2 295.285 3.195 10 0 CGAELO CC(C)[C@H](C)[NH2+]c1ccc(N)cc1Br ZINC000043596664 345001857 /nfs/dbraw/zinc/00/18/57/345001857.db2.gz GQYNAUCYINACOW-QMMMGPOBSA-N 1 2 257.175 3.488 10 0 CGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1F ZINC000116290048 232184319 /nfs/dbraw/zinc/18/43/19/232184319.db2.gz IEIWRCSGOUDDOX-CQSZACIVSA-N 1 2 288.322 3.194 10 0 CGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1F ZINC000116290048 232184321 /nfs/dbraw/zinc/18/43/21/232184321.db2.gz IEIWRCSGOUDDOX-CQSZACIVSA-N 1 2 288.322 3.194 10 0 CGAELO CC[C@]1(c2cccc(-c3cccnc3)c2)N=C(C)C(=[NH2+])N1 ZINC000114869279 345967453 /nfs/dbraw/zinc/96/74/53/345967453.db2.gz GRJWZPJMTVMJSW-KRWDZBQOSA-N 1 2 278.359 3.143 10 0 CGAELO CCOC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000169017628 346191967 /nfs/dbraw/zinc/19/19/67/346191967.db2.gz JUVCRCXURSOMMK-SFHVURJKSA-N 1 2 295.382 3.349 10 0 CGAELO CCOC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000169017628 346191968 /nfs/dbraw/zinc/19/19/68/346191968.db2.gz JUVCRCXURSOMMK-SFHVURJKSA-N 1 2 295.382 3.349 10 0 CGAELO Brc1ccsc1[C@@H]1[NH2+]CCCS1 ZINC000228017206 346312375 /nfs/dbraw/zinc/31/23/75/346312375.db2.gz PJUNGCPIYWYHJC-MRVPVSSYSA-N 1 2 264.213 3.236 10 0 CGAELO Cc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2O)cc1 ZINC000606446677 348184914 /nfs/dbraw/zinc/18/49/14/348184914.db2.gz HKQAXPQMGFJIJC-KSSFIOAISA-N 1 2 297.378 3.152 10 0 CGAELO CC(C)(C)N1c2ccccc2NC[C@H]1c1ccc[nH+]c1N ZINC000616583262 348835915 /nfs/dbraw/zinc/83/59/15/348835915.db2.gz DSXWKUFPZBIRHB-HNNXBMFYSA-N 1 2 282.391 3.436 10 0 CGAELO CC(C)(C)OC(=O)N1CCCC[C@H](c2cccc(N)[nH+]2)C1 ZINC000616630358 348852372 /nfs/dbraw/zinc/85/23/72/348852372.db2.gz VWPTWEQECTWWFR-LBPRGKRZSA-N 1 2 291.395 3.168 10 0 CGAELO Fc1ccccc1[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616639805 348853277 /nfs/dbraw/zinc/85/32/77/348853277.db2.gz NHTUURKZRMJYQT-QGZVFWFLSA-N 1 2 271.335 3.399 10 0 CGAELO Fc1ccccc1[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616639805 348853280 /nfs/dbraw/zinc/85/32/80/348853280.db2.gz NHTUURKZRMJYQT-QGZVFWFLSA-N 1 2 271.335 3.399 10 0 CGAELO CCOC(=O)N1c2ccccc2CC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616668890 348861151 /nfs/dbraw/zinc/86/11/51/348861151.db2.gz YSLBXKUFBYOQSP-OAHLLOKOSA-N 1 2 297.358 3.145 10 0 CGAELO c1onnc1[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616677376 348864051 /nfs/dbraw/zinc/86/40/51/348864051.db2.gz MGCUVOTUYAGPJQ-GOSISDBHSA-N 1 2 291.354 3.217 10 0 CGAELO c1onnc1[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616677376 348864054 /nfs/dbraw/zinc/86/40/54/348864054.db2.gz MGCUVOTUYAGPJQ-GOSISDBHSA-N 1 2 291.354 3.217 10 0 CGAELO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000122450738 187032807 /nfs/dbraw/zinc/03/28/07/187032807.db2.gz UHHLFHDOZGZYKO-GHMZBOCLSA-N 1 2 275.327 3.036 10 0 CGAELO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(F)c(Cl)c1 ZINC000189231422 542252590 /nfs/dbraw/zinc/25/25/90/542252590.db2.gz HPLTTXHXVKBTMC-VIFPVBQESA-N 1 2 295.745 3.012 10 0 CGAELO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000189231422 542252594 /nfs/dbraw/zinc/25/25/94/542252594.db2.gz HPLTTXHXVKBTMC-VIFPVBQESA-N 1 2 295.745 3.012 10 0 CGAELO C[C@@H](NC(=O)[C@H](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178523396 189124020 /nfs/dbraw/zinc/12/40/20/189124020.db2.gz PIWVWURVXLHZFW-CHWSQXEVSA-N 1 2 283.375 3.096 10 0 CGAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)o1 ZINC000182577411 189328362 /nfs/dbraw/zinc/32/83/62/189328362.db2.gz YNKODQDMHHSLET-NWDGAFQWSA-N 1 2 298.346 3.445 10 0 CGAELO CO[C@@H]1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302121434 201349372 /nfs/dbraw/zinc/34/93/72/201349372.db2.gz YALYDNRYFVPXOG-CHWSQXEVSA-N 1 2 275.396 3.033 10 0 CGAELO C[N@H+](C1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000120171104 370744138 /nfs/dbraw/zinc/74/41/38/370744138.db2.gz GTESOKMCQKKAKW-CYBMUJFWSA-N 1 2 299.823 3.043 10 0 CGAELO C[N@@H+](C1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000120171104 370744141 /nfs/dbraw/zinc/74/41/41/370744141.db2.gz GTESOKMCQKKAKW-CYBMUJFWSA-N 1 2 299.823 3.043 10 0 CGAELO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275443202 193039442 /nfs/dbraw/zinc/03/94/42/193039442.db2.gz GAOZFQLSTYCOHQ-QGZVFWFLSA-N 1 2 296.418 3.329 10 0 CGAELO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275443202 193039445 /nfs/dbraw/zinc/03/94/45/193039445.db2.gz GAOZFQLSTYCOHQ-QGZVFWFLSA-N 1 2 296.418 3.329 10 0 CGAELO CC(C)n1nc(C[NH2+]Cc2ccco2)c(-c2ccccc2)n1 ZINC000057353277 369536089 /nfs/dbraw/zinc/53/60/89/369536089.db2.gz 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/nfs/dbraw/zinc/17/36/89/370173689.db2.gz JDRPIQJRTGUDES-STQMWFEESA-N 1 2 294.395 3.282 10 0 CGAELO CC(C)[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134061415 371299942 /nfs/dbraw/zinc/29/99/42/371299942.db2.gz VQOUHPZNAWLHNI-NSHDSACASA-N 1 2 268.426 3.222 10 0 CGAELO CC(C)[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134061415 371299947 /nfs/dbraw/zinc/29/99/47/371299947.db2.gz VQOUHPZNAWLHNI-NSHDSACASA-N 1 2 268.426 3.222 10 0 CGAELO Cn1c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)nc2ccccc21 ZINC000172271032 372933994 /nfs/dbraw/zinc/93/39/94/372933994.db2.gz OUFYFTLPNWCKPB-HNNXBMFYSA-N 1 2 295.390 3.024 10 0 CGAELO Cn1c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)nc2ccccc21 ZINC000172271032 372934001 /nfs/dbraw/zinc/93/40/01/372934001.db2.gz OUFYFTLPNWCKPB-HNNXBMFYSA-N 1 2 295.390 3.024 10 0 CGAELO CCC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914458 373215912 /nfs/dbraw/zinc/21/59/12/373215912.db2.gz LDETZVIKCWNDQE-ZDUSSCGKSA-N 1 2 285.391 3.486 10 0 CGAELO CC(C)CCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173933765 373218843 /nfs/dbraw/zinc/21/88/43/373218843.db2.gz PEMXZCKNSOVURA-CQSZACIVSA-N 1 2 285.391 3.486 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccccc1F ZINC000176822665 373633649 /nfs/dbraw/zinc/63/36/49/373633649.db2.gz ZAVHJFOHYGHCJF-IBGZPJMESA-N 1 2 280.368 3.052 10 0 CGAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccoc2)c2ccccc2)[nH]1 ZINC000178548212 373790168 /nfs/dbraw/zinc/79/01/68/373790168.db2.gz CKGJJCRFNQNCSK-ABAIWWIYSA-N 1 2 282.347 3.146 10 0 CGAELO CSC1(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000302840506 373981345 /nfs/dbraw/zinc/98/13/45/373981345.db2.gz CIPRVICVIIUPCU-GFCCVEGCSA-N 1 2 292.452 3.020 10 0 CGAELO CSC1(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000302840506 373981353 /nfs/dbraw/zinc/98/13/53/373981353.db2.gz CIPRVICVIIUPCU-GFCCVEGCSA-N 1 2 292.452 3.020 10 0 CGAELO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)o1 ZINC000185878476 374759895 /nfs/dbraw/zinc/75/98/95/374759895.db2.gz REGKFGFSGUVXKK-UHFFFAOYSA-N 1 2 279.343 3.335 10 0 CGAELO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195373062 376099578 /nfs/dbraw/zinc/09/95/78/376099578.db2.gz FWLTWFMFIZAONF-AWEZNQCLSA-N 1 2 290.436 3.221 10 0 CGAELO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195373062 376099583 /nfs/dbraw/zinc/09/95/83/376099583.db2.gz FWLTWFMFIZAONF-AWEZNQCLSA-N 1 2 290.436 3.221 10 0 CGAELO C[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521536 376110288 /nfs/dbraw/zinc/11/02/88/376110288.db2.gz YIDQGNIZZPWMLE-RISCZKNCSA-N 1 2 292.379 3.417 10 0 CGAELO C[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521536 376110294 /nfs/dbraw/zinc/11/02/94/376110294.db2.gz YIDQGNIZZPWMLE-RISCZKNCSA-N 1 2 292.379 3.417 10 0 CGAELO Cn1c(C[N@@H+]2CCC[C@@H]2c2cccs2)nnc1C1CC1 ZINC000195026629 376070041 /nfs/dbraw/zinc/07/00/41/376070041.db2.gz VBTIRGUYPGFCLD-GFCCVEGCSA-N 1 2 288.420 3.091 10 0 CGAELO Cn1c(C[N@H+]2CCC[C@@H]2c2cccs2)nnc1C1CC1 ZINC000195026629 376070049 /nfs/dbraw/zinc/07/00/49/376070049.db2.gz 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/nfs/dbraw/zinc/03/59/21/249035921.db2.gz CSEWRXRJAMRUMA-GFCCVEGCSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831427 249035924 /nfs/dbraw/zinc/03/59/24/249035924.db2.gz CSEWRXRJAMRUMA-GFCCVEGCSA-N 1 2 280.418 3.087 10 0 CGAELO CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000179248759 542200330 /nfs/dbraw/zinc/20/03/30/542200330.db2.gz UDMALRLGXZOWPK-CQSZACIVSA-N 1 2 299.418 3.071 10 0 CGAELO CCc1ccc([C@@H](C)[NH2+]Cc2nsc(N(C)C)n2)cc1 ZINC000181469599 542218187 /nfs/dbraw/zinc/21/81/87/542218187.db2.gz BKNICPMTHBPGPU-LLVKDONJSA-N 1 2 290.436 3.017 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)o1 ZINC000220953623 542287958 /nfs/dbraw/zinc/28/79/58/542287958.db2.gz RVSNLZNGBCRBRB-SECBINFHSA-N 1 2 294.738 3.216 10 0 CGAELO C[N@H+](Cc1ccon1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361586448 381820860 /nfs/dbraw/zinc/82/08/60/381820860.db2.gz HSCTUOGYNQBQBP-QWRGUYRKSA-N 1 2 262.275 3.228 10 0 CGAELO C[N@@H+](Cc1ccon1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361586448 381820863 /nfs/dbraw/zinc/82/08/63/381820863.db2.gz HSCTUOGYNQBQBP-QWRGUYRKSA-N 1 2 262.275 3.228 10 0 CGAELO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000371670992 392545302 /nfs/dbraw/zinc/54/53/02/392545302.db2.gz HIJDXPDLRHHAPN-NWDGAFQWSA-N 1 2 282.409 3.012 10 0 CGAELO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]1c1nccs1 ZINC000371670992 392545307 /nfs/dbraw/zinc/54/53/07/392545307.db2.gz HIJDXPDLRHHAPN-NWDGAFQWSA-N 1 2 282.409 3.012 10 0 CGAELO CCc1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000375897628 392838727 /nfs/dbraw/zinc/83/87/27/392838727.db2.gz JVBSAKQQUOXSSL-HNNXBMFYSA-N 1 2 255.365 3.139 10 0 CGAELO Cc1cc([NH+](C)C)ccc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251042852 393116373 /nfs/dbraw/zinc/11/63/73/393116373.db2.gz MQQLMSBKOOORAC-FVQBIDKESA-N 1 2 274.408 3.286 10 0 CGAELO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251042852 393116380 /nfs/dbraw/zinc/11/63/80/393116380.db2.gz MQQLMSBKOOORAC-FVQBIDKESA-N 1 2 274.408 3.286 10 0 CGAELO Cc1nc([C@H](C)[NH2+][C@H](C)c2nccs2)cs1 ZINC000070717599 165063645 /nfs/dbraw/zinc/06/36/45/165063645.db2.gz ZVXPSAZXZRGCAI-JGVFFNPUSA-N 1 2 253.396 3.320 10 0 CGAELO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)CCS1 ZINC000120253234 287180344 /nfs/dbraw/zinc/18/03/44/287180344.db2.gz SRXFKXRRDWOZMA-JTQLQIEISA-N 1 2 270.467 3.378 10 0 CGAELO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)CCS1 ZINC000120253234 287180348 /nfs/dbraw/zinc/18/03/48/287180348.db2.gz SRXFKXRRDWOZMA-JTQLQIEISA-N 1 2 270.467 3.378 10 0 CGAELO Cc1nc(C[NH2+]Cc2nc3ccccc3s2)cs1 ZINC000020253277 171105945 /nfs/dbraw/zinc/10/59/45/171105945.db2.gz MXSGRWPDNXIZEN-UHFFFAOYSA-N 1 2 275.402 3.351 10 0 CGAELO Cc1cc(C)n(-c2cc(NCc3cccc(C)c3)[nH+]cn2)n1 ZINC000021713439 171319482 /nfs/dbraw/zinc/31/94/82/171319482.db2.gz MGPWPORHQAFBRV-UHFFFAOYSA-N 1 2 293.374 3.200 10 0 CGAELO Cc1nc(NC2CCCC2)c(-c2ccc3nonc3c2)c[nH+]1 ZINC000034602607 171845458 /nfs/dbraw/zinc/84/54/58/171845458.db2.gz KZZYVIZVVYRCJN-UHFFFAOYSA-N 1 2 295.346 3.343 10 0 CGAELO COc1cccc(C(=O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000035230323 172070769 /nfs/dbraw/zinc/07/07/69/172070769.db2.gz UUMXDCBQGWVLNM-UHFFFAOYSA-N 1 2 280.327 3.236 10 0 CGAELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccc(F)cc1 ZINC000035346476 172138298 /nfs/dbraw/zinc/13/82/98/172138298.db2.gz GIRLOTZTNULSLK-KBPBESRZSA-N 1 2 267.344 3.064 10 0 CGAELO Cc1nccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)n1 ZINC000038037353 174037312 /nfs/dbraw/zinc/03/73/12/174037312.db2.gz SHEXUPMKTFIDHC-JTQLQIEISA-N 1 2 284.388 3.246 10 0 CGAELO CCc1ccc([C@@](C)([NH2+][C@H](C)CC)C(=O)OC)cc1 ZINC000038066785 174078540 /nfs/dbraw/zinc/07/85/40/174078540.db2.gz UKWCKVAEUHJOGF-MLGOLLRUSA-N 1 2 263.381 3.025 10 0 CGAELO CCN(c1ccccc1)c1nc[nH+]c(NC(C)(C)C)c1N ZINC000040679371 174374786 /nfs/dbraw/zinc/37/47/86/174374786.db2.gz QLKWJOQQZNKHPJ-UHFFFAOYSA-N 1 2 285.395 3.427 10 0 CGAELO CCCCNc1[nH+]cnc(N(C)c2ccccc2)c1N ZINC000040706505 174379437 /nfs/dbraw/zinc/37/94/37/174379437.db2.gz VXIUFTWNIOLSIM-UHFFFAOYSA-N 1 2 271.368 3.039 10 0 CGAELO CCCCNc1nc[nH+]c(N(C)c2ccccc2)c1N ZINC000040706505 174379439 /nfs/dbraw/zinc/37/94/39/174379439.db2.gz VXIUFTWNIOLSIM-UHFFFAOYSA-N 1 2 271.368 3.039 10 0 CGAELO CCCCNc1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040706515 174379828 /nfs/dbraw/zinc/37/98/28/174379828.db2.gz MFXYQEULKCUQEV-UHFFFAOYSA-N 1 2 275.331 3.154 10 0 CGAELO CCC[C@@H]([NH2+][C@H](C)C(=O)OCC)c1cccs1 ZINC000043637987 175083871 /nfs/dbraw/zinc/08/38/71/175083871.db2.gz AREFPVWLVHDPNF-GHMZBOCLSA-N 1 2 255.383 3.131 10 0 CGAELO C[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)c2ccccc21 ZINC000248555237 278343030 /nfs/dbraw/zinc/34/30/30/278343030.db2.gz BDHMBUHTDZZPRU-KBPBESRZSA-N 1 2 273.376 3.344 10 0 CGAELO C[C@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)c2ccccc21 ZINC000248555237 278343031 /nfs/dbraw/zinc/34/30/31/278343031.db2.gz BDHMBUHTDZZPRU-KBPBESRZSA-N 1 2 273.376 3.344 10 0 CGAELO Cc1cccc2nc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)cn21 ZINC000114482414 281316851 /nfs/dbraw/zinc/31/68/51/281316851.db2.gz IQZWIBPJPXQVBY-INIZCTEOSA-N 1 2 295.390 3.093 10 0 CGAELO Cc1cccc2nc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)cn21 ZINC000114482414 281316852 /nfs/dbraw/zinc/31/68/52/281316852.db2.gz IQZWIBPJPXQVBY-INIZCTEOSA-N 1 2 295.390 3.093 10 0 CGAELO CCC[C@@H]([NH2+]Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000156590859 321783650 /nfs/dbraw/zinc/78/36/50/321783650.db2.gz MSUBGNWIHWNRSS-OAHLLOKOSA-N 1 2 293.407 3.295 10 0 CGAELO CCC[NH2+][C@](C)(CS[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000054695189 520110110 /nfs/dbraw/zinc/11/01/10/520110110.db2.gz ZOJJBSXKKFWBPS-KCQAQPDRSA-N 1 2 287.469 3.230 10 0 CGAELO CC(C)c1noc(C[N@H+]2CC=C(c3ccccc3)CC2)n1 ZINC000042292898 519902548 /nfs/dbraw/zinc/90/25/48/519902548.db2.gz BFDNRHGOGRRFGW-UHFFFAOYSA-N 1 2 283.375 3.482 10 0 CGAELO CC(C)c1noc(C[N@@H+]2CC=C(c3ccccc3)CC2)n1 ZINC000042292898 519902554 /nfs/dbraw/zinc/90/25/54/519902554.db2.gz BFDNRHGOGRRFGW-UHFFFAOYSA-N 1 2 283.375 3.482 10 0 CGAELO CC[C@H](Nc1[nH+]cccc1C(N)=S)c1cccs1 ZINC000049532308 522780730 /nfs/dbraw/zinc/78/07/30/522780730.db2.gz MHJRENZCVRZNNF-JTQLQIEISA-N 1 2 277.418 3.341 10 0 CGAELO Cc1cc([NH+](C)C)ccc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632024 525025240 /nfs/dbraw/zinc/02/52/40/525025240.db2.gz MQQLMSBKOOORAC-BMFZPTHFSA-N 1 2 274.408 3.286 10 0 CGAELO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632024 525025250 /nfs/dbraw/zinc/02/52/50/525025250.db2.gz MQQLMSBKOOORAC-BMFZPTHFSA-N 1 2 274.408 3.286 10 0 CGAELO Cc1[nH+]c(-c2ccc(Cl)c(F)c2)nc(N)c1C ZINC000050867524 526571057 /nfs/dbraw/zinc/57/10/57/526571057.db2.gz UZGQNARUCHGESJ-UHFFFAOYSA-N 1 2 251.692 3.135 10 0 CGAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121178532 633231616 /nfs/dbraw/zinc/23/16/16/633231616.db2.gz WCPPHABEBBCVCW-CHWSQXEVSA-N 1 2 265.353 3.148 10 0 CGAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000121178532 633231618 /nfs/dbraw/zinc/23/16/18/633231618.db2.gz WCPPHABEBBCVCW-CHWSQXEVSA-N 1 2 265.353 3.148 10 0 CGAELO C[C@@H]1C[N@H+](C)C[C@H](c2nnc(/C=C\C3CCCCC3)o2)O1 ZINC000886089121 637404136 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ZINC000124651627 187147655 /nfs/dbraw/zinc/14/76/55/187147655.db2.gz IVABJODPFAALAC-LBPRGKRZSA-N 1 2 261.325 3.007 10 0 CGAELO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000060105310 345211014 /nfs/dbraw/zinc/21/10/14/345211014.db2.gz BHDOXAWOKHQWBT-GOSISDBHSA-N 1 2 295.382 3.160 10 0 CGAELO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000060105310 345211015 /nfs/dbraw/zinc/21/10/15/345211015.db2.gz BHDOXAWOKHQWBT-GOSISDBHSA-N 1 2 295.382 3.160 10 0 CGAELO C[C@H]1CS[C@@H](c2sccc2Br)[NH2+]1 ZINC000228017160 346312619 /nfs/dbraw/zinc/31/26/19/346312619.db2.gz AUHDFGQLWGRJCX-XNCJUZBTSA-N 1 2 264.213 3.234 10 0 CGAELO CCc1cc(N[C@@H](C)COCc2ccccc2)nc[nH+]1 ZINC000390709709 346574537 /nfs/dbraw/zinc/57/45/37/346574537.db2.gz VQWDXKUTHYHAIY-ZDUSSCGKSA-N 1 2 271.364 3.056 10 0 CGAELO CC(C)(C)N1c2ccccc2NC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616586573 348836923 /nfs/dbraw/zinc/83/69/23/348836923.db2.gz QREHAFNPBNIXKM-OAHLLOKOSA-N 1 2 282.391 3.266 10 0 CGAELO CC(C)(C)OC(=O)N1C[C@@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616670928 348861756 /nfs/dbraw/zinc/86/17/56/348861756.db2.gz UNMCSKKJOPPRHC-ZDUSSCGKSA-N 1 2 299.374 3.491 10 0 CGAELO C[N@H+](Cc1ccon1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291696270 198061094 /nfs/dbraw/zinc/06/10/94/198061094.db2.gz HSCTUOGYNQBQBP-MNOVXSKESA-N 1 2 262.275 3.228 10 0 CGAELO C[N@@H+](Cc1ccon1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291696270 198061097 /nfs/dbraw/zinc/06/10/97/198061097.db2.gz HSCTUOGYNQBQBP-MNOVXSKESA-N 1 2 262.275 3.228 10 0 CGAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccc(F)c(F)c1 ZINC000176842240 189011456 /nfs/dbraw/zinc/01/14/56/189011456.db2.gz RTWRKIRFBSIUIH-FQEVSTJZSA-N 1 2 298.358 3.191 10 0 CGAELO CCCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177789606 189069671 /nfs/dbraw/zinc/06/96/71/189069671.db2.gz CGDXFOBPGMAHBL-QGZVFWFLSA-N 1 2 297.402 3.140 10 0 CGAELO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000181392535 189295383 /nfs/dbraw/zinc/29/53/83/189295383.db2.gz SHUFCFCBGGWSEQ-NSHDSACASA-N 1 2 277.320 3.209 10 0 CGAELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)o1 ZINC000182576578 189328573 /nfs/dbraw/zinc/32/85/73/189328573.db2.gz UYFZGCWFTIYFNX-LLVKDONJSA-N 1 2 286.379 3.243 10 0 CGAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000035055212 368994987 /nfs/dbraw/zinc/99/49/87/368994987.db2.gz ZYDCSCPKDQPKOU-VIFPVBQESA-N 1 2 295.285 3.195 10 0 CGAELO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000035055213 368994441 /nfs/dbraw/zinc/99/44/41/368994441.db2.gz ZYDCSCPKDQPKOU-SECBINFHSA-N 1 2 295.285 3.195 10 0 CGAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1ccc(Cl)cc1 ZINC000037966250 369127707 /nfs/dbraw/zinc/12/77/07/369127707.db2.gz WRRYACGMKSEFJL-CYBMUJFWSA-N 1 2 269.772 3.190 10 0 CGAELO Cc1ccc([C@H](C)[NH2+]Cc2nccn2C(F)F)o1 ZINC000037980936 369132870 /nfs/dbraw/zinc/13/28/70/369132870.db2.gz RYDWXVFBWGBGRJ-VIFPVBQESA-N 1 2 255.268 3.030 10 0 CGAELO C[C@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)CCS1 ZINC000067399480 369715658 /nfs/dbraw/zinc/71/56/58/369715658.db2.gz FUNMHVIJICQPOR-JTQLQIEISA-N 1 2 280.418 3.340 10 0 CGAELO C[C@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)CCS1 ZINC000067399480 369715666 /nfs/dbraw/zinc/71/56/66/369715666.db2.gz FUNMHVIJICQPOR-JTQLQIEISA-N 1 2 280.418 3.340 10 0 CGAELO Cc1ccc(-c2nc(N3CCC(=O)CC3)c(C)c(C)[nH+]2)cc1 ZINC000070452027 369799107 /nfs/dbraw/zinc/79/91/07/369799107.db2.gz YALHEVFVYOTKSL-UHFFFAOYSA-N 1 2 295.386 3.238 10 0 CGAELO c1coc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000116293398 370554740 /nfs/dbraw/zinc/55/47/40/370554740.db2.gz VTRDAADZJAJGCW-LBPRGKRZSA-N 1 2 285.303 3.260 10 0 CGAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000116293398 370554743 /nfs/dbraw/zinc/55/47/43/370554743.db2.gz VTRDAADZJAJGCW-LBPRGKRZSA-N 1 2 285.303 3.260 10 0 CGAELO FC(F)(F)c1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294062208 372569300 /nfs/dbraw/zinc/56/93/00/372569300.db2.gz KEBTVJUHJGWKOW-NSHDSACASA-N 1 2 267.254 3.459 10 0 CGAELO Cc1ccc([C@@H]2CN(c3cc[nH+]c(C(C)C)n3)CCO2)o1 ZINC000166874769 372585700 /nfs/dbraw/zinc/58/57/00/372585700.db2.gz GLOBWMPBWGRTSP-AWEZNQCLSA-N 1 2 287.363 3.079 10 0 CGAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)o1 ZINC000171147589 372721040 /nfs/dbraw/zinc/72/10/40/372721040.db2.gz SAQIYUAANFYBKK-LLVKDONJSA-N 1 2 292.408 3.029 10 0 CGAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3nccs3)C2)o1 ZINC000171147589 372721044 /nfs/dbraw/zinc/72/10/44/372721044.db2.gz SAQIYUAANFYBKK-LLVKDONJSA-N 1 2 292.408 3.029 10 0 CGAELO Cc1cc(C(=O)C[N@@H+]2CCS[C@H](C)C2)c(C)n1C1CC1 ZINC000171696672 372811936 /nfs/dbraw/zinc/81/19/36/372811936.db2.gz DISYUQSIRCVCBG-GFCCVEGCSA-N 1 2 292.448 3.060 10 0 CGAELO Cc1cc(C(=O)C[N@H+]2CCS[C@H](C)C2)c(C)n1C1CC1 ZINC000171696672 372811945 /nfs/dbraw/zinc/81/19/45/372811945.db2.gz DISYUQSIRCVCBG-GFCCVEGCSA-N 1 2 292.448 3.060 10 0 CGAELO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000171701925 372813760 /nfs/dbraw/zinc/81/37/60/372813760.db2.gz QFHVOYPQMHRJPE-NSHDSACASA-N 1 2 298.839 3.024 10 0 CGAELO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000171701925 372813771 /nfs/dbraw/zinc/81/37/71/372813771.db2.gz QFHVOYPQMHRJPE-NSHDSACASA-N 1 2 298.839 3.024 10 0 CGAELO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000173388241 373135162 /nfs/dbraw/zinc/13/51/62/373135162.db2.gz GLVAJBNMTWRAPF-QMMMGPOBSA-N 1 2 279.290 3.076 10 0 CGAELO Cc1occc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949510 373224717 /nfs/dbraw/zinc/22/47/17/373224717.db2.gz NRTKUMROJKRIJY-GFCCVEGCSA-N 1 2 295.342 3.265 10 0 CGAELO O=C(CC1CCCCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177776178 373709246 /nfs/dbraw/zinc/70/92/46/373709246.db2.gz YHSCOQAZRDNJSM-INIZCTEOSA-N 1 2 289.423 3.235 10 0 CGAELO O=C(CCCC1CCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177816854 373712314 /nfs/dbraw/zinc/71/23/14/373712314.db2.gz XAQKLKGRWFXAMS-INIZCTEOSA-N 1 2 289.423 3.235 10 0 CGAELO C[C@@H]1CCCN(c2cc(N3CCCC(C)(C)C3)nc[nH+]2)C1 ZINC000301270544 373722753 /nfs/dbraw/zinc/72/27/53/373722753.db2.gz XQJFRFGATJEJOZ-CQSZACIVSA-N 1 2 288.439 3.339 10 0 CGAELO C[C@@H]1CCCN(c2cc(N3CCCC(C)(C)C3)[nH+]cn2)C1 ZINC000301270544 373722764 /nfs/dbraw/zinc/72/27/64/373722764.db2.gz XQJFRFGATJEJOZ-CQSZACIVSA-N 1 2 288.439 3.339 10 0 CGAELO C[C@H]1CCCN(c2cc(N3CCCC(C)(C)C3)nc[nH+]2)C1 ZINC000301270543 373723503 /nfs/dbraw/zinc/72/35/03/373723503.db2.gz XQJFRFGATJEJOZ-AWEZNQCLSA-N 1 2 288.439 3.339 10 0 CGAELO C[C@H]1CCCN(c2cc(N3CCCC(C)(C)C3)[nH+]cn2)C1 ZINC000301270543 373723514 /nfs/dbraw/zinc/72/35/14/373723514.db2.gz XQJFRFGATJEJOZ-AWEZNQCLSA-N 1 2 288.439 3.339 10 0 CGAELO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC(C)C)cc1)C(=O)OC ZINC000181403826 374118191 /nfs/dbraw/zinc/11/81/91/374118191.db2.gz LORWNQZKGJPZKJ-XJKSGUPXSA-N 1 2 293.407 3.324 10 0 CGAELO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC1 ZINC000183031202 374358254 /nfs/dbraw/zinc/35/82/54/374358254.db2.gz QVKLJYNYYCKLQX-NEPJUHHUSA-N 1 2 291.782 3.363 10 0 CGAELO c1cncc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c1 ZINC000328638193 374373627 /nfs/dbraw/zinc/37/36/27/374373627.db2.gz PBAUPSPYGOPDTO-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO c1cncc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000328638193 374373637 /nfs/dbraw/zinc/37/36/37/374373637.db2.gz PBAUPSPYGOPDTO-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO c1cncc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000328638193 374373645 /nfs/dbraw/zinc/37/36/45/374373645.db2.gz PBAUPSPYGOPDTO-MRXNPFEDSA-N 1 2 282.391 3.021 10 0 CGAELO Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000186533271 374869714 /nfs/dbraw/zinc/86/97/14/374869714.db2.gz YPLLPPWAFGUOLW-OAHLLOKOSA-N 1 2 299.378 3.181 10 0 CGAELO c1nnc([C@@H]2CCCC[N@H+]2CCCCc2ccccc2)[nH]1 ZINC000187390785 375014249 /nfs/dbraw/zinc/01/42/49/375014249.db2.gz GTWSRZZFFQUBPO-INIZCTEOSA-N 1 2 284.407 3.355 10 0 CGAELO c1nnc([C@@H]2CCCC[N@@H+]2CCCCc2ccccc2)[nH]1 ZINC000187390785 375014259 /nfs/dbraw/zinc/01/42/59/375014259.db2.gz GTWSRZZFFQUBPO-INIZCTEOSA-N 1 2 284.407 3.355 10 0 CGAELO c1nc([C@@H]2CCCC[N@H+]2CCCCc2ccccc2)n[nH]1 ZINC000187390785 375014270 /nfs/dbraw/zinc/01/42/70/375014270.db2.gz GTWSRZZFFQUBPO-INIZCTEOSA-N 1 2 284.407 3.355 10 0 CGAELO c1nc([C@@H]2CCCC[N@@H+]2CCCCc2ccccc2)n[nH]1 ZINC000187390785 375014278 /nfs/dbraw/zinc/01/42/78/375014278.db2.gz GTWSRZZFFQUBPO-INIZCTEOSA-N 1 2 284.407 3.355 10 0 CGAELO C[C@@H]1C[C@@H](CC(=O)N2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000334732964 375016291 /nfs/dbraw/zinc/01/62/91/375016291.db2.gz VLMJRAZFSWWRJK-KGLIPLIRSA-N 1 2 289.423 3.078 10 0 CGAELO C[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000193471246 375882602 /nfs/dbraw/zinc/88/26/02/375882602.db2.gz HYLNMJKSWIOPAF-HIFRSBDPSA-N 1 2 289.423 3.236 10 0 CGAELO c1ccc(CC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000193568834 375895051 /nfs/dbraw/zinc/89/50/51/375895051.db2.gz NSTUVKDCXAOYRQ-UHFFFAOYSA-N 1 2 292.386 3.417 10 0 CGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc3ncccc3c2)o1 ZINC000231531802 376559780 /nfs/dbraw/zinc/55/97/80/376559780.db2.gz ZSTDUZTYPFMIKB-LBPRGKRZSA-N 1 2 267.332 3.382 10 0 CGAELO CCCc1noc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000245418179 376810945 /nfs/dbraw/zinc/81/09/45/376810945.db2.gz GLCWDEBCHCTIKK-WBMJQRKESA-N 1 2 271.364 3.215 10 0 CGAELO CCCc1noc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000245418179 376810948 /nfs/dbraw/zinc/81/09/48/376810948.db2.gz GLCWDEBCHCTIKK-WBMJQRKESA-N 1 2 271.364 3.215 10 0 CGAELO CCn1cc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cn1 ZINC000245694713 376884988 /nfs/dbraw/zinc/88/49/88/376884988.db2.gz CBCBADBMWSUCAX-CRAIPNDOSA-N 1 2 299.418 3.173 10 0 CGAELO CCn1cc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cn1 ZINC000245694713 376884996 /nfs/dbraw/zinc/88/49/96/376884996.db2.gz CBCBADBMWSUCAX-CRAIPNDOSA-N 1 2 299.418 3.173 10 0 CGAELO C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246584349 377056319 /nfs/dbraw/zinc/05/63/19/377056319.db2.gz ULRQCJZXCZCEJY-ZLIFDBKOSA-N 1 2 295.386 3.096 10 0 CGAELO C=Cn1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000249060160 377453676 /nfs/dbraw/zinc/45/36/76/377453676.db2.gz ZRSSUJQCZRERPA-WFASDCNBSA-N 1 2 289.404 3.007 10 0 CGAELO C=Cn1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000249060160 377453679 /nfs/dbraw/zinc/45/36/79/377453679.db2.gz ZRSSUJQCZRERPA-WFASDCNBSA-N 1 2 289.404 3.007 10 0 CGAELO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)[nH]1 ZINC000249285910 377486993 /nfs/dbraw/zinc/48/69/93/377486993.db2.gz INMAMAGPHCXGOT-BZNIZROVSA-N 1 2 288.370 3.089 10 0 CGAELO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)[nH]1 ZINC000249285910 377486997 /nfs/dbraw/zinc/48/69/97/377486997.db2.gz INMAMAGPHCXGOT-BZNIZROVSA-N 1 2 288.370 3.089 10 0 CGAELO Cc1csc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000092790336 249035548 /nfs/dbraw/zinc/03/55/48/249035548.db2.gz MFEKJOZVNZDTGL-LBPRGKRZSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000092790336 249035552 /nfs/dbraw/zinc/03/55/52/249035552.db2.gz MFEKJOZVNZDTGL-LBPRGKRZSA-N 1 2 280.418 3.087 10 0 CGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000179959270 542204481 /nfs/dbraw/zinc/20/44/81/542204481.db2.gz PMRZPDDKRMZEGR-IUCAKERBSA-N 1 2 265.307 3.408 10 0 CGAELO CCCc1noc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000181335597 542218907 /nfs/dbraw/zinc/21/89/07/542218907.db2.gz WURMNXMDHIUCHO-NSHDSACASA-N 1 2 277.343 3.320 10 0 CGAELO c1csc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000275586789 378957473 /nfs/dbraw/zinc/95/74/73/378957473.db2.gz PLQOBXJZJWBDGK-ZDUSSCGKSA-N 1 2 288.420 3.082 10 0 CGAELO c1n[nH]c2c1[C@@H]([NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000367600487 382350755 /nfs/dbraw/zinc/35/07/55/382350755.db2.gz KCJKCICWQUEKFW-GJZGRUSLSA-N 1 2 253.349 3.064 10 0 CGAELO Cc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1Br ZINC000353807922 220342213 /nfs/dbraw/zinc/34/22/13/220342213.db2.gz JMFLPHNBWIUGJC-TXEJJXNPSA-N 1 2 298.224 3.367 10 0 CGAELO Cc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1Br ZINC000353807922 220342215 /nfs/dbraw/zinc/34/22/15/220342215.db2.gz JMFLPHNBWIUGJC-TXEJJXNPSA-N 1 2 298.224 3.367 10 0 CGAELO C[C@@H](COCc1ccccc1)Nc1[nH+]c2ccccc2n1C 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ZINC000301327502 373746910 /nfs/dbraw/zinc/74/69/10/373746910.db2.gz BWWBQGCWKNLQIO-CHWSQXEVSA-N 1 2 259.740 3.406 10 0 CGAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301441556 373775586 /nfs/dbraw/zinc/77/55/86/373775586.db2.gz MLOXFNSWFVUTNJ-OLZOCXBDSA-N 1 2 260.385 3.067 10 0 CGAELO CCC[C@@H]1C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301441556 373775593 /nfs/dbraw/zinc/77/55/93/373775593.db2.gz MLOXFNSWFVUTNJ-OLZOCXBDSA-N 1 2 260.385 3.067 10 0 CGAELO Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nnc1C ZINC000302331161 373854483 /nfs/dbraw/zinc/85/44/83/373854483.db2.gz UIOPILJIUFNXCD-UHFFFAOYSA-N 1 2 281.363 3.014 10 0 CGAELO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000182487393 374281403 /nfs/dbraw/zinc/28/14/03/374281403.db2.gz UKCYYUWRHMGYDQ-RBSFLKMASA-N 1 2 291.439 3.098 10 0 CGAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1cnccn1 ZINC000185567913 374689949 /nfs/dbraw/zinc/68/99/49/374689949.db2.gz LLBQJVKHPRUEJK-NSHDSACASA-N 1 2 262.382 3.248 10 0 CGAELO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189826854 375451651 /nfs/dbraw/zinc/45/16/51/375451651.db2.gz VSPJMUHBBGMNDB-HNNXBMFYSA-N 1 2 297.358 3.344 10 0 CGAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000193111285 375827791 /nfs/dbraw/zinc/82/77/91/375827791.db2.gz PHJGTEYDMOYQQF-SSDOTTSWSA-N 1 2 271.773 3.198 10 0 CGAELO CCC1CCC(NC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000193313112 375859148 /nfs/dbraw/zinc/85/91/48/375859148.db2.gz YENYVNUYXWYSKT-UHFFFAOYSA-N 1 2 299.418 3.430 10 0 CGAELO CCc1nnc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1C ZINC000195104803 376078940 /nfs/dbraw/zinc/07/89/40/376078940.db2.gz NPZPZDZSSHKUPR-MRXNPFEDSA-N 1 2 296.418 3.029 10 0 CGAELO CCc1nnc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1C ZINC000195104803 376078944 /nfs/dbraw/zinc/07/89/44/376078944.db2.gz NPZPZDZSSHKUPR-MRXNPFEDSA-N 1 2 296.418 3.029 10 0 CGAELO CC[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000243729540 376787427 /nfs/dbraw/zinc/78/74/27/376787427.db2.gz PSRMUKHUJKZDPZ-LSDHHAIUSA-N 1 2 288.439 3.482 10 0 CGAELO CC[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000243729540 376787434 /nfs/dbraw/zinc/78/74/34/376787434.db2.gz PSRMUKHUJKZDPZ-LSDHHAIUSA-N 1 2 288.439 3.482 10 0 CGAELO Cc1cncc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000248995113 377440193 /nfs/dbraw/zinc/44/01/93/377440193.db2.gz XVMLCVZOGFBBKT-YJBOKZPZSA-N 1 2 282.387 3.352 10 0 CGAELO Cc1cncc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000248995113 377440205 /nfs/dbraw/zinc/44/02/05/377440205.db2.gz XVMLCVZOGFBBKT-YJBOKZPZSA-N 1 2 282.387 3.352 10 0 CGAELO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2C)cc1OC ZINC000180248452 542207348 /nfs/dbraw/zinc/20/73/48/542207348.db2.gz UBWCIOOXTBDJAP-MNOVXSKESA-N 1 2 289.379 3.147 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc3[nH]ccc3c2)o1 ZINC000231740302 542304209 /nfs/dbraw/zinc/30/42/09/542304209.db2.gz GBQSCNOZHRGQNX-LLVKDONJSA-N 1 2 255.321 3.315 10 0 CGAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc(O)c2)cs1 ZINC000189926635 130040616 /nfs/dbraw/zinc/04/06/16/130040616.db2.gz USTTWLDWSLIDKH-HNNXBMFYSA-N 1 2 274.389 3.494 10 0 CGAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc(O)c2)cs1 ZINC000189926635 130040619 /nfs/dbraw/zinc/04/06/19/130040619.db2.gz USTTWLDWSLIDKH-HNNXBMFYSA-N 1 2 274.389 3.494 10 0 CGAELO CCn1cc[nH+]c1CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111277773 392380099 /nfs/dbraw/zinc/38/00/99/392380099.db2.gz RPPSZRJWQNKFBM-VKJFTORMSA-N 1 2 299.418 3.254 10 0 CGAELO CCn1ccnc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111277773 392380101 /nfs/dbraw/zinc/38/01/01/392380101.db2.gz RPPSZRJWQNKFBM-VKJFTORMSA-N 1 2 299.418 3.254 10 0 CGAELO CCn1ccnc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111277773 392380105 /nfs/dbraw/zinc/38/01/05/392380105.db2.gz RPPSZRJWQNKFBM-VKJFTORMSA-N 1 2 299.418 3.254 10 0 CGAELO C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1nccn1C ZINC000182853802 392749275 /nfs/dbraw/zinc/74/92/75/392749275.db2.gz RHXMUKSCAIBYOG-JTQLQIEISA-N 1 2 278.425 3.025 10 0 CGAELO C[C@H](NCc1nc(C(C)(C)C)cs1)c1[nH+]ccn1C ZINC000182853802 392749278 /nfs/dbraw/zinc/74/92/78/392749278.db2.gz RHXMUKSCAIBYOG-JTQLQIEISA-N 1 2 278.425 3.025 10 0 CGAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(CC)cc2)o1 ZINC000193211813 392873403 /nfs/dbraw/zinc/87/34/03/392873403.db2.gz BGWFUPVLUJJOCQ-NSHDSACASA-N 1 2 259.353 3.045 10 0 CGAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCC[C@@H](O)C1 ZINC000676077783 543381966 /nfs/dbraw/zinc/38/19/66/543381966.db2.gz NCRLCOZMGHMZPH-ZIAGYGMSSA-N 1 2 256.349 3.259 10 0 CGAELO O=C(C[NH+]1CCCCCCC1)c1cc(F)ccc1F ZINC000034989918 171916274 /nfs/dbraw/zinc/91/62/74/171916274.db2.gz CWIYWBXLTCGNOS-UHFFFAOYSA-N 1 2 267.319 3.414 10 0 CGAELO Nc1ccc(SCCOc2ccc(Cl)cc2)c[nH+]1 ZINC000037192459 173022481 /nfs/dbraw/zinc/02/24/81/173022481.db2.gz YVMBWBUVFFVBIC-UHFFFAOYSA-N 1 2 280.780 3.488 10 0 CGAELO COc1ccccc1C[C@H](C)[NH2+]c1ccc(O)cc1 ZINC000037316838 173117620 /nfs/dbraw/zinc/11/76/20/173117620.db2.gz IENOCPUEQFTTPE-LBPRGKRZSA-N 1 2 257.333 3.444 10 0 CGAELO C[N@H+](Cc1ccco1)Cc1ccc(N)cc1Br ZINC000037515951 173247422 /nfs/dbraw/zinc/24/74/22/173247422.db2.gz FENPVKIELSPFNG-UHFFFAOYSA-N 1 2 295.180 3.256 10 0 CGAELO C[N@@H+](Cc1ccco1)Cc1ccc(N)cc1Br ZINC000037515951 173247424 /nfs/dbraw/zinc/24/74/24/173247424.db2.gz FENPVKIELSPFNG-UHFFFAOYSA-N 1 2 295.180 3.256 10 0 CGAELO CCOC(=O)[C@H]([NH2+]CC1CC1)c1cccc2ccccc21 ZINC000037968236 173914629 /nfs/dbraw/zinc/91/46/29/173914629.db2.gz HYVPEXLTKGPCRU-QGZVFWFLSA-N 1 2 283.371 3.444 10 0 CGAELO Cc1noc(C[NH2+]Cc2ccc(-c3ccccc3)s2)n1 ZINC000038034089 174032163 /nfs/dbraw/zinc/03/21/63/174032163.db2.gz FIFHVVSKUSSANT-UHFFFAOYSA-N 1 2 285.372 3.396 10 0 CGAELO Cc1nccc(C[NH2+][C@H](C)c2nc3ccccc3s2)n1 ZINC000038037354 174037536 /nfs/dbraw/zinc/03/75/36/174037536.db2.gz SHEXUPMKTFIDHC-SNVBAGLBSA-N 1 2 284.388 3.246 10 0 CGAELO COc1cccc(OCCn2c(C)[nH+]c3ccccc32)c1 ZINC000040224664 174208095 /nfs/dbraw/zinc/20/80/95/174208095.db2.gz YEUWTBHRJDJSMM-UHFFFAOYSA-N 1 2 282.343 3.432 10 0 CGAELO Cc1nc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000246850599 279083939 /nfs/dbraw/zinc/08/39/39/279083939.db2.gz BRDXQFWAZVVJQB-IAGOWNOFSA-N 1 2 297.402 3.082 10 0 CGAELO Cc1nc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000246850599 279083940 /nfs/dbraw/zinc/08/39/40/279083940.db2.gz BRDXQFWAZVVJQB-IAGOWNOFSA-N 1 2 297.402 3.082 10 0 CGAELO CC[C@@H]1CSC(Nc2ccc(OC)c(C)c2)=[NH+]1 ZINC000049531646 523521504 /nfs/dbraw/zinc/52/15/04/523521504.db2.gz CKTCJMVBYBLAPQ-SNVBAGLBSA-N 1 2 250.367 3.297 10 0 CGAELO CCc1c(C)[nH+]c(Cc2ccccc2Cl)nc1N ZINC000050845521 523709622 /nfs/dbraw/zinc/70/96/22/523709622.db2.gz QAWUTRGOUWUGQJ-UHFFFAOYSA-N 1 2 261.756 3.174 10 0 CGAELO C[C@@H]([NH2+]Cc1ccncn1)c1ccccc1Br ZINC000054789048 525545350 /nfs/dbraw/zinc/54/53/50/525545350.db2.gz GYXDQFWSESJRTN-SNVBAGLBSA-N 1 2 292.180 3.090 10 0 CGAELO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C(N)=S)c2)s1 ZINC000061812908 525752159 /nfs/dbraw/zinc/75/21/59/525752159.db2.gz RMUXNINIHLKJCJ-SECBINFHSA-N 1 2 277.418 3.259 10 0 CGAELO Cc1[nH+]c(-c2cc(F)cc(F)c2)nc(N)c1C(C)C ZINC000061687281 526561210 /nfs/dbraw/zinc/56/12/10/526561210.db2.gz KVUXFJNOBOUJAB-UHFFFAOYSA-N 1 2 263.291 3.436 10 0 CGAELO CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)C1CCCCC1 ZINC000220572959 618758698 /nfs/dbraw/zinc/75/86/98/618758698.db2.gz GLDGIXGWJKTKQA-CYBMUJFWSA-N 1 2 289.423 3.004 10 0 CGAELO CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)C1CCCCC1 ZINC000220572959 618758701 /nfs/dbraw/zinc/75/87/01/618758701.db2.gz GLDGIXGWJKTKQA-CYBMUJFWSA-N 1 2 289.423 3.004 10 0 CGAELO Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)c(C)nn2C)o1 ZINC000089232045 623638057 /nfs/dbraw/zinc/63/80/57/623638057.db2.gz IAIBGOLSOZGTMN-VIFPVBQESA-N 1 2 267.760 3.134 10 0 CGAELO COc1cccc(-c2cccc([C@@]3(C)N=C(C)C(=[NH2+])N3)c2)c1 ZINC000095572318 185010293 /nfs/dbraw/zinc/01/02/93/185010293.db2.gz BEYGOLPVUQKUTI-SFHVURJKSA-N 1 2 293.370 3.367 10 0 CGAELO CCc1nnc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)n1C ZINC000124672736 187148353 /nfs/dbraw/zinc/14/83/53/187148353.db2.gz VALRMEVYPAOSRA-ZDUSSCGKSA-N 1 2 288.395 3.006 10 0 CGAELO CCc1nnc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)n1C ZINC000124672736 187148354 /nfs/dbraw/zinc/14/83/54/187148354.db2.gz VALRMEVYPAOSRA-ZDUSSCGKSA-N 1 2 288.395 3.006 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(C)o2)o1 ZINC000124846923 187157426 /nfs/dbraw/zinc/15/74/26/187157426.db2.gz QKTWXZIHSWYRPK-ZDUSSCGKSA-N 1 2 275.352 3.261 10 0 CGAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(C)o2)o1 ZINC000124846923 187157427 /nfs/dbraw/zinc/15/74/27/187157427.db2.gz QKTWXZIHSWYRPK-ZDUSSCGKSA-N 1 2 275.352 3.261 10 0 CGAELO O=C1CC[N@@H+]2C[C@@H](c3ccccc3Cl)CC[C@@H]2C1 ZINC000059314815 345207620 /nfs/dbraw/zinc/20/76/20/345207620.db2.gz ZGIBWXNIWYKHJJ-NWDGAFQWSA-N 1 2 263.768 3.251 10 0 CGAELO O=C1CC[N@H+]2C[C@@H](c3ccccc3Cl)CC[C@@H]2C1 ZINC000059314815 345207623 /nfs/dbraw/zinc/20/76/23/345207623.db2.gz ZGIBWXNIWYKHJJ-NWDGAFQWSA-N 1 2 263.768 3.251 10 0 CGAELO Cc1cccc([C@@H](C)[NH2+]Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000157294489 232231057 /nfs/dbraw/zinc/23/10/57/232231057.db2.gz VJPUFHXEBKWJTK-LLVKDONJSA-N 1 2 299.399 3.144 10 0 CGAELO OCc1c[nH+]cn1Cc1ccc(-c2ccccc2)cc1 ZINC000136803124 346092622 /nfs/dbraw/zinc/09/26/22/346092622.db2.gz NIVQTDYMUDDCCA-UHFFFAOYSA-N 1 2 264.328 3.091 10 0 CGAELO Cc1csc([C@@H]([NH3+])c2sccc2Br)n1 ZINC000228011559 346312539 /nfs/dbraw/zinc/31/25/39/346312539.db2.gz JXGJKKPFJZVWFD-ZETCQYMHSA-N 1 2 289.223 3.324 10 0 CGAELO CCn1nc(C)c([C@H](C)[NH2+]CC(F)(F)CC)c1C ZINC000624147558 349989186 /nfs/dbraw/zinc/98/91/86/349989186.db2.gz DTZKTEBZMUBDLA-VIFPVBQESA-N 1 2 259.344 3.216 10 0 CGAELO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1c[nH+]c[nH]1 ZINC000616588779 348837754 /nfs/dbraw/zinc/83/77/54/348837754.db2.gz TVYHSGJDHOPRJA-OAHLLOKOSA-N 1 2 299.374 3.292 10 0 CGAELO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1c1c[nH]c[nH+]1 ZINC000616588779 348837757 /nfs/dbraw/zinc/83/77/57/348837757.db2.gz TVYHSGJDHOPRJA-OAHLLOKOSA-N 1 2 299.374 3.292 10 0 CGAELO CC(C)N1c2ccccc2CC[C@H]1c1ccc(N)[nH+]c1 ZINC000616595081 348839521 /nfs/dbraw/zinc/83/95/21/348839521.db2.gz VAEZUUDJJSPVLI-INIZCTEOSA-N 1 2 267.376 3.396 10 0 CGAELO CO[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616680880 348865862 /nfs/dbraw/zinc/86/58/62/348865862.db2.gz SHEAOTAHBACZAH-QGZVFWFLSA-N 1 2 253.345 3.390 10 0 CGAELO CO[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616680880 348865865 /nfs/dbraw/zinc/86/58/65/348865865.db2.gz SHEAOTAHBACZAH-QGZVFWFLSA-N 1 2 253.345 3.390 10 0 CGAELO CC(C)n1cc[nH+]c1CNc1cccc(F)c1F ZINC000124261732 187129116 /nfs/dbraw/zinc/12/91/16/187129116.db2.gz HOCVEFPCQIQFJH-UHFFFAOYSA-N 1 2 251.280 3.354 10 0 CGAELO Cc1ccsc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000123310182 187084514 /nfs/dbraw/zinc/08/45/14/187084514.db2.gz AAZPAYGLPCEDLH-UHFFFAOYSA-N 1 2 289.448 3.472 10 0 CGAELO Cc1ccsc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123310182 187084515 /nfs/dbraw/zinc/08/45/15/187084515.db2.gz AAZPAYGLPCEDLH-UHFFFAOYSA-N 1 2 289.448 3.472 10 0 CGAELO Cc1ccsc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123310182 187084516 /nfs/dbraw/zinc/08/45/16/187084516.db2.gz AAZPAYGLPCEDLH-UHFFFAOYSA-N 1 2 289.448 3.472 10 0 CGAELO Cc1nc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000154309529 188134808 /nfs/dbraw/zinc/13/48/08/188134808.db2.gz BFXOJTFTFIPORH-GFCCVEGCSA-N 1 2 273.380 3.427 10 0 CGAELO C[C@H](c1ccco1)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608620 138352702 /nfs/dbraw/zinc/35/27/02/138352702.db2.gz HACWQVPQPSISRD-SNVBAGLBSA-N 1 2 273.292 3.116 10 0 CGAELO C[C@H](c1ccco1)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608620 138352703 /nfs/dbraw/zinc/35/27/03/138352703.db2.gz HACWQVPQPSISRD-SNVBAGLBSA-N 1 2 273.292 3.116 10 0 CGAELO c1coc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185874417 138438254 /nfs/dbraw/zinc/43/82/54/138438254.db2.gz DOBUCMUWSJTZHL-UHFFFAOYSA-N 1 2 265.316 3.026 10 0 CGAELO Cc1ccc(C)c([S@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000177074137 189026929 /nfs/dbraw/zinc/02/69/29/189026929.db2.gz HWEXGTDUQRRRPW-LJQANCHMSA-N 1 2 276.405 3.389 10 0 CGAELO CCCc1nc(C[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000181538433 189299600 /nfs/dbraw/zinc/29/96/00/189299600.db2.gz WNYMPGPNFCJKSJ-LBPRGKRZSA-N 1 2 259.353 3.181 10 0 CGAELO Cc1ccc([C@](C)(O)CNc2cc(C)[nH+]c(C(C)C)n2)o1 ZINC000301449658 201013630 /nfs/dbraw/zinc/01/36/30/201013630.db2.gz WSUGSYQGAPTUHY-MRXNPFEDSA-N 1 2 289.379 3.129 10 0 CGAELO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccs2)cs1 ZINC000182891488 189338409 /nfs/dbraw/zinc/33/84/09/189338409.db2.gz XEIBMKYDCLLRJR-MRVPVSSYSA-N 1 2 281.406 3.014 10 0 CGAELO Cc1cc(NCCCCn2cnnc2)c2cccc(F)c2[nH+]1 ZINC000301679628 201134203 /nfs/dbraw/zinc/13/42/03/201134203.db2.gz RKQSIVKIUPSKGW-UHFFFAOYSA-N 1 2 299.353 3.166 10 0 CGAELO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000120939107 370814326 /nfs/dbraw/zinc/81/43/26/370814326.db2.gz ARHUCAVZUVKDBJ-ZDUSSCGKSA-N 1 2 271.320 3.352 10 0 CGAELO O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000176315591 296122371 /nfs/dbraw/zinc/12/23/71/296122371.db2.gz NGKCQLRZFJNURD-YJBOKZPZSA-N 1 2 299.418 3.109 10 0 CGAELO CC[C@@]12CC[N@H+](CC3CC3)[C@@H](C(=O)c3ccc(O)cc31)[C@H]2C ZINC000013446333 368652800 /nfs/dbraw/zinc/65/28/00/368652800.db2.gz SEJUQQOPVAUETF-LLSQANQASA-N 1 2 299.414 3.357 10 0 in-vitro CGAELO CC[C@@]12CC[N@@H+](CC3CC3)[C@@H](C(=O)c3ccc(O)cc31)[C@H]2C ZINC000013446333 368652807 /nfs/dbraw/zinc/65/28/07/368652807.db2.gz SEJUQQOPVAUETF-LLSQANQASA-N 1 2 299.414 3.357 10 0 in-vitro CGAELO CCOC(=O)[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000032207308 368928842 /nfs/dbraw/zinc/92/88/42/368928842.db2.gz XUPWBUFVHLNUNE-KRWDZBQOSA-N 1 2 295.382 3.413 10 0 CGAELO CCOC(=O)[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000032207308 368928848 /nfs/dbraw/zinc/92/88/48/368928848.db2.gz XUPWBUFVHLNUNE-KRWDZBQOSA-N 1 2 295.382 3.413 10 0 CGAELO CCOC(=O)[C@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000032207312 368929456 /nfs/dbraw/zinc/92/94/56/368929456.db2.gz XUPWBUFVHLNUNE-QGZVFWFLSA-N 1 2 295.382 3.413 10 0 CGAELO CCOC(=O)[C@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000032207312 368929459 /nfs/dbraw/zinc/92/94/59/368929459.db2.gz XUPWBUFVHLNUNE-QGZVFWFLSA-N 1 2 295.382 3.413 10 0 CGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cn[nH]c2C)o1 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ZINC000171696676 372812647 /nfs/dbraw/zinc/81/26/47/372812647.db2.gz DISYUQSIRCVCBG-LBPRGKRZSA-N 1 2 292.448 3.060 10 0 CGAELO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000172016787 372886593 /nfs/dbraw/zinc/88/65/93/372886593.db2.gz SSJNYFVKIDTLCI-CQSZACIVSA-N 1 2 259.353 3.394 10 0 CGAELO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000172016787 372886598 /nfs/dbraw/zinc/88/65/98/372886598.db2.gz SSJNYFVKIDTLCI-CQSZACIVSA-N 1 2 259.353 3.394 10 0 CGAELO Clc1ncccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172269849 372933763 /nfs/dbraw/zinc/93/37/63/372933763.db2.gz RCVIEQTVLGDFDV-CYBMUJFWSA-N 1 2 276.771 3.185 10 0 CGAELO Clc1ncccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172269849 372933769 /nfs/dbraw/zinc/93/37/69/372933769.db2.gz RCVIEQTVLGDFDV-CYBMUJFWSA-N 1 2 276.771 3.185 10 0 CGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000173629166 373168700 /nfs/dbraw/zinc/16/87/00/373168700.db2.gz VIYGHQZCFAZFDB-NEPJUHHUSA-N 1 2 288.370 3.165 10 0 CGAELO Clc1ncc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000175444554 373469880 /nfs/dbraw/zinc/46/98/80/373469880.db2.gz NACRWXRCIKZGPF-LLVKDONJSA-N 1 2 282.800 3.247 10 0 CGAELO Clc1ncc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000175444554 373469891 /nfs/dbraw/zinc/46/98/91/373469891.db2.gz NACRWXRCIKZGPF-LLVKDONJSA-N 1 2 282.800 3.247 10 0 CGAELO CC(C)c1nc(N2CCC[C@@H](c3nccs3)C2)cc[nH+]1 ZINC000301249992 373710869 /nfs/dbraw/zinc/71/08/69/373710869.db2.gz PJQOKDHQQPOJOC-GFCCVEGCSA-N 1 2 288.420 3.441 10 0 CGAELO Cc1cc(C)n(-c2cccc(N[C@@H](C)c3[nH+]ccn3C)c2)n1 ZINC000182874251 374337531 /nfs/dbraw/zinc/33/75/31/374337531.db2.gz SVJJASXPZKLHGJ-AWEZNQCLSA-N 1 2 295.390 3.396 10 0 CGAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccncc1 ZINC000185826416 374747366 /nfs/dbraw/zinc/74/73/66/374747366.db2.gz RCYQWMOWCOMHGO-CQSZACIVSA-N 1 2 290.370 3.389 10 0 CGAELO Cc1ncccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185867957 374756463 /nfs/dbraw/zinc/75/64/63/374756463.db2.gz YAAYBUUQJBTSJD-UHFFFAOYSA-N 1 2 290.370 3.137 10 0 CGAELO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000188044824 375147491 /nfs/dbraw/zinc/14/74/91/375147491.db2.gz AOMYQFLCYOGCJK-LBPRGKRZSA-N 1 2 291.345 3.376 10 0 CGAELO Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000188044824 375147495 /nfs/dbraw/zinc/14/74/95/375147495.db2.gz AOMYQFLCYOGCJK-LBPRGKRZSA-N 1 2 291.345 3.376 10 0 CGAELO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000189802731 375447659 /nfs/dbraw/zinc/44/76/59/375447659.db2.gz YTNOCINKQQFUPJ-OAHLLOKOSA-N 1 2 270.380 3.094 10 0 CGAELO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000189802731 375447662 /nfs/dbraw/zinc/44/76/62/375447662.db2.gz YTNOCINKQQFUPJ-OAHLLOKOSA-N 1 2 270.380 3.094 10 0 CGAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1csc(Cl)c1 ZINC000191332632 375611308 /nfs/dbraw/zinc/61/13/08/375611308.db2.gz OQWAQORWJATRPI-WPRPVWTQSA-N 1 2 282.800 3.179 10 0 CGAELO c1nc(CNc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)co1 ZINC000192329740 375733062 /nfs/dbraw/zinc/73/30/62/375733062.db2.gz 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CCn1cc[nH+]c1CSCCOc1cccc(F)c1 ZINC000083632469 249007053 /nfs/dbraw/zinc/00/70/53/249007053.db2.gz DEQCJIHYJIRGPL-UHFFFAOYSA-N 1 2 280.368 3.354 10 0 CGAELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc2ccccc2c1 ZINC000181501870 542219375 /nfs/dbraw/zinc/21/93/75/542219375.db2.gz KPRYNFZWOYRMAY-GFCCVEGCSA-N 1 2 278.359 3.063 10 0 CGAELO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000183101108 542228548 /nfs/dbraw/zinc/22/85/48/542228548.db2.gz PWYUJXDMJXCDDX-QWRGUYRKSA-N 1 2 293.342 3.075 10 0 CGAELO C[C@@H]1C[NH2+][C@H](c2ccsc2Br)SC1 ZINC000575541398 377916219 /nfs/dbraw/zinc/91/62/19/377916219.db2.gz GQYCOMFFDUWJFU-MUWHJKNJSA-N 1 2 278.240 3.482 10 0 CGAELO Clc1cc([C@H]2[NH2+]CCc3nc[nH]c32)c(Cl)s1 ZINC000400467890 542622854 /nfs/dbraw/zinc/62/28/54/542622854.db2.gz PBVNAGCYFPZYNJ-MRVPVSSYSA-N 1 2 274.176 3.013 10 0 CGAELO CC(C)[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000105342900 392285968 /nfs/dbraw/zinc/28/59/68/392285968.db2.gz BUERNFNYXMRNOQ-LBPRGKRZSA-N 1 2 286.379 3.253 10 0 CGAELO C[C@H]1C[NH2+][C@@H](c2cscc2Br)S1 ZINC000307232353 392649060 /nfs/dbraw/zinc/64/90/60/392649060.db2.gz CTLUBFWUJXLHIE-YLWLKBPMSA-N 1 2 264.213 3.234 10 0 CGAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[nH]1 ZINC000392494099 392932046 /nfs/dbraw/zinc/93/20/46/392932046.db2.gz YZBIONCOINWUGK-JGVFFNPUSA-N 1 2 282.750 3.317 10 0 CGAELO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245734906 393046467 /nfs/dbraw/zinc/04/64/67/393046467.db2.gz CXNFHVFRTVKPOJ-DYVFJYSZSA-N 1 2 284.407 3.190 10 0 CGAELO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245734906 393046476 /nfs/dbraw/zinc/04/64/76/393046476.db2.gz CXNFHVFRTVKPOJ-DYVFJYSZSA-N 1 2 284.407 3.190 10 0 CGAELO C[C@@H]1COC[C@@H](C)[NH+]1CCSc1ccccc1F ZINC000077369606 165121164 /nfs/dbraw/zinc/12/11/64/165121164.db2.gz QXSVFKZHFXJBLZ-VXGBXAGGSA-N 1 2 269.385 3.027 10 0 CGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000090226589 165230668 /nfs/dbraw/zinc/23/06/68/165230668.db2.gz HGPGGEPDKHJGJW-LKFCYVNXSA-N 1 2 292.333 3.050 10 0 CGAELO CC(C)c1nc(C2([NH2+]C[C@H]3CCCCO3)CCCC2)no1 ZINC000173702193 165554055 /nfs/dbraw/zinc/55/40/55/165554055.db2.gz PWMGOIKFBJJEQO-CYBMUJFWSA-N 1 2 293.411 3.121 10 0 CGAELO Nc1ccc2oc(CCc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000005936922 170158519 /nfs/dbraw/zinc/15/85/19/170158519.db2.gz PHGPEJTWWDONPU-UHFFFAOYSA-N 1 2 278.315 3.072 10 0 CGAELO c1ccc2oc(CCc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000005942326 170159615 /nfs/dbraw/zinc/15/96/15/170159615.db2.gz GKMRTUNMWALKLE-UHFFFAOYSA-N 1 2 263.300 3.489 10 0 CGAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(SC)cc1)C(C)C ZINC000035346270 172139097 /nfs/dbraw/zinc/13/90/97/172139097.db2.gz NFVQCBNGTPVYQN-FZMZJTMJSA-N 1 2 281.421 3.257 10 0 CGAELO CC[C@@H]1CCC[N@H+](CC(=O)c2ccc(F)c(F)c2)C1 ZINC000037339469 173140232 /nfs/dbraw/zinc/14/02/32/173140232.db2.gz XTKISHDCXWGEJE-LLVKDONJSA-N 1 2 267.319 3.270 10 0 CGAELO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccc(F)c(F)c2)C1 ZINC000037339469 173140233 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CCc1nnc(C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)[nH]1 ZINC000249285911 377487268 /nfs/dbraw/zinc/48/72/68/377487268.db2.gz INMAMAGPHCXGOT-ZBEGNZNMSA-N 1 2 288.370 3.089 10 0 CGAELO CCc1nnc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)[nH]1 ZINC000249298704 377488154 /nfs/dbraw/zinc/48/81/54/377488154.db2.gz NMPHJLPXYIVICK-AAEUAGOBSA-N 1 2 288.395 3.242 10 0 CGAELO CCc1nnc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)[nH]1 ZINC000249298704 377488165 /nfs/dbraw/zinc/48/81/65/377488165.db2.gz NMPHJLPXYIVICK-AAEUAGOBSA-N 1 2 288.395 3.242 10 0 CGAELO CCc1csc([C@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092789288 249035366 /nfs/dbraw/zinc/03/53/66/249035366.db2.gz VYRLZTQZNLUWQT-LBPRGKRZSA-N 1 2 290.436 3.117 10 0 CGAELO CCc1csc([C@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092789288 249035370 /nfs/dbraw/zinc/03/53/70/249035370.db2.gz VYRLZTQZNLUWQT-LBPRGKRZSA-N 1 2 290.436 3.117 10 0 CGAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)c1cccc(C)c1 ZINC000083036781 249006274 /nfs/dbraw/zinc/00/62/74/249006274.db2.gz 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/nfs/dbraw/zinc/12/34/68/165123468.db2.gz WZMDEWPCKOAMGN-GHMZBOCLSA-N 1 2 284.197 3.058 10 0 CGAELO CC[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080583694 165156373 /nfs/dbraw/zinc/15/63/73/165156373.db2.gz WPOLCLKDYIDOHA-NEPJUHHUSA-N 1 2 289.404 3.090 10 0 CGAELO Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)c[nH+]1 ZINC000037192688 173022514 /nfs/dbraw/zinc/02/25/14/173022514.db2.gz XEBFMLGZMGHGTC-UHFFFAOYSA-N 1 2 293.779 3.048 10 0 CGAELO CC[NH2+][C@@](C)(C(=O)OCC)c1ccc(C(C)C)cc1 ZINC000037447241 173215061 /nfs/dbraw/zinc/21/50/61/173215061.db2.gz IMUPXEWSWYFGGD-MRXNPFEDSA-N 1 2 263.381 3.198 10 0 CGAELO C[NH2+][C@H](c1occc1C)c1c(F)cc(OC)cc1F ZINC000037903431 173834613 /nfs/dbraw/zinc/83/46/13/173834613.db2.gz KAASPFXDLFIXIT-ZDUSSCGKSA-N 1 2 267.275 3.184 10 0 CGAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(SC)cc1 ZINC000038067174 174078837 /nfs/dbraw/zinc/07/88/37/174078837.db2.gz MVQOAMADUJFHKG-ABAIWWIYSA-N 1 2 281.421 3.185 10 0 CGAELO Nc1c(NCc2ccccc2)nc[nH+]c1Nc1ccccc1 ZINC000040709286 174380731 /nfs/dbraw/zinc/38/07/31/174380731.db2.gz QRFYIVRVFOUYNQ-UHFFFAOYSA-N 1 2 291.358 3.415 10 0 CGAELO Nc1c(Nc2ccccc2)nc[nH+]c1NCc1ccccc1 ZINC000040709286 174380732 /nfs/dbraw/zinc/38/07/32/174380732.db2.gz QRFYIVRVFOUYNQ-UHFFFAOYSA-N 1 2 291.358 3.415 10 0 CGAELO C[C@H](NC(=O)N1CCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470727 177025675 /nfs/dbraw/zinc/02/56/75/177025675.db2.gz QOJIVHQCULOOLS-KGLIPLIRSA-N 1 2 298.390 3.127 10 0 CGAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000195060132 336044093 /nfs/dbraw/zinc/04/40/93/336044093.db2.gz KXWOWCVEZNCOQO-LLVKDONJSA-N 1 2 292.814 3.453 10 0 CGAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000195060132 336044094 /nfs/dbraw/zinc/04/40/94/336044094.db2.gz KXWOWCVEZNCOQO-LLVKDONJSA-N 1 2 292.814 3.453 10 0 CGAELO CC1(C)CCC(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000156732311 520293060 /nfs/dbraw/zinc/29/30/60/520293060.db2.gz NSVJLWFVNMKDTN-OAHLLOKOSA-N 1 2 289.423 3.091 10 0 CGAELO CNc1cc(CSc2ccc(OC)cc2)cc[nH+]1 ZINC000052756056 522568701 /nfs/dbraw/zinc/56/87/01/522568701.db2.gz FTURJYTZBJCSLL-UHFFFAOYSA-N 1 2 260.362 3.424 10 0 CGAELO C[C@@H](C(=O)c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050910494 524307407 /nfs/dbraw/zinc/30/74/07/524307407.db2.gz OSQHXTBQSJMCIG-ZDUSSCGKSA-N 1 2 251.329 3.274 10 0 CGAELO COc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1Cl ZINC000061811909 524715513 /nfs/dbraw/zinc/71/55/13/524715513.db2.gz JOJPXYGXGQCSGB-UHFFFAOYSA-N 1 2 293.779 3.121 10 0 CGAELO CC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)OC ZINC000181502699 529200681 /nfs/dbraw/zinc/20/06/81/529200681.db2.gz PROQCGGPAVISQH-BLLLJJGKSA-N 1 2 271.360 3.442 10 0 CGAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2csc(C)n2)c1C ZINC000045172229 572356346 /nfs/dbraw/zinc/35/63/46/572356346.db2.gz FNDCGLRQMOOSLU-VIFPVBQESA-N 1 2 278.425 3.136 10 0 CGAELO C[C@@H]([NH2+]CC1OCCO1)c1c(Cl)ccc(F)c1Cl ZINC000180240171 624730287 /nfs/dbraw/zinc/73/02/87/624730287.db2.gz GAFWLCLHSHFKGZ-SSDOTTSWSA-N 1 2 294.153 3.156 10 0 CGAELO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000138917901 637683784 /nfs/dbraw/zinc/68/37/84/637683784.db2.gz ASVAHNBKDNXJIR-NWDGAFQWSA-N 1 2 259.353 3.220 10 0 CGAELO Cc1[nH]c(-c2cccc(Br)c2)[nH+]c1C ZINC000082555391 178090528 /nfs/dbraw/zinc/09/05/28/178090528.db2.gz YAYDOHHMYOXBNX-UHFFFAOYSA-N 1 2 251.127 3.456 10 0 CGAELO CN(CCC[NH2+]c1ccc(N)cc1F)c1ccccc1 ZINC000034957401 344941501 /nfs/dbraw/zinc/94/15/01/344941501.db2.gz ZHYZOJFSWLOAEE-UHFFFAOYSA-N 1 2 273.355 3.346 10 0 CGAELO C[C@@H](Oc1ccc[nH+]c1N)c1cc(F)ccc1-n1cccn1 ZINC000225246475 346303407 /nfs/dbraw/zinc/30/34/07/346303407.db2.gz NGZCFEOEAFJBSB-LLVKDONJSA-N 1 2 298.321 3.129 10 0 CGAELO CC[C@@H]1CS[C@@H](c2occc2Br)[NH2+]1 ZINC000233939546 346330590 /nfs/dbraw/zinc/33/05/90/346330590.db2.gz VZNRLKDMYMAZTO-MUWHJKNJSA-N 1 2 262.172 3.156 10 0 CGAELO CC[C@H]1C[C@H]1Nc1[nH+]ccc(C)c1Br ZINC000234138374 346331539 /nfs/dbraw/zinc/33/15/39/346331539.db2.gz IOWOBGCVZIAZMZ-DTWKUNHWSA-N 1 2 255.159 3.363 10 0 CGAELO CNc1c(N)c[nH+]c2c(Cl)c(Br)ccc12 ZINC000584882878 346721339 /nfs/dbraw/zinc/72/13/39/346721339.db2.gz YHZKURGVYBPORS-UHFFFAOYSA-N 1 2 286.560 3.275 10 0 CGAELO COC(=O)[C@@H](C)c1ccc(Nc2[nH+]cccc2C)cc1 ZINC000584595697 346687041 /nfs/dbraw/zinc/68/70/41/346687041.db2.gz ZXNFUKWGJRPLOC-LBPRGKRZSA-N 1 2 270.332 3.410 10 0 CGAELO CC(C)(C)N1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616583938 348835984 /nfs/dbraw/zinc/83/59/84/348835984.db2.gz DSXWKUFPZBIRHB-OAHLLOKOSA-N 1 2 282.391 3.436 10 0 CGAELO CC(C)N1c2ccccc2CC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616593552 348838748 /nfs/dbraw/zinc/83/87/48/348838748.db2.gz JAGNUSSMGVBIDO-MRXNPFEDSA-N 1 2 267.376 3.396 10 0 CGAELO CC(C)n1cc[nH+]c1CNc1ccc(F)c(F)c1F ZINC000123793817 187108854 /nfs/dbraw/zinc/10/88/54/187108854.db2.gz UQIGJUANSPWORQ-UHFFFAOYSA-N 1 2 269.270 3.493 10 0 CGAELO Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000152403682 188016226 /nfs/dbraw/zinc/01/62/26/188016226.db2.gz ATGGNJFIPVMRDO-GFCCVEGCSA-N 1 2 273.336 3.483 10 0 CGAELO CC(C)n1cc[nH+]c1CNc1cc(F)cc(F)c1F ZINC000292471472 198300291 /nfs/dbraw/zinc/30/02/91/198300291.db2.gz PYOKWSSLURKBCK-UHFFFAOYSA-N 1 2 269.270 3.493 10 0 CGAELO C[C@H](NC(=O)NCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175048454 188930691 /nfs/dbraw/zinc/93/06/91/188930691.db2.gz MRRSVHXCCQACHR-ZDUSSCGKSA-N 1 2 298.390 3.033 10 0 CGAELO COCc1noc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000180234783 189245017 /nfs/dbraw/zinc/24/50/17/189245017.db2.gz IHSJQBJVOONYLA-LBPRGKRZSA-N 1 2 297.358 3.220 10 0 CGAELO Cc1cnc(CCNc2cc(C)[nH+]c(C(C)C)n2)s1 ZINC000301432676 201006397 /nfs/dbraw/zinc/00/63/97/201006397.db2.gz QYHYUVQUJBKBBF-UHFFFAOYSA-N 1 2 276.409 3.328 10 0 CGAELO Fc1cccc(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000301556206 201067230 /nfs/dbraw/zinc/06/72/30/201067230.db2.gz SEWGIDTVHGLUTN-UHFFFAOYSA-N 1 2 282.322 3.078 10 0 CGAELO CO[C@@H]1CCC[C@H](Nc2cc(C)[nH+]c(-c3cccnc3)n2)C1 ZINC000301773510 201189080 /nfs/dbraw/zinc/18/90/80/201189080.db2.gz KGDPJIKMRGQWFW-LSDHHAIUSA-N 1 2 298.390 3.217 10 0 CGAELO Cc1nc(N[C@@H]2CCCCC[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000302072897 201330752 /nfs/dbraw/zinc/33/07/52/201330752.db2.gz FSELVCHPQPYZCJ-DZGCQCFKSA-N 1 2 289.423 3.017 10 0 CGAELO CO[C@H]1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302121436 201350384 /nfs/dbraw/zinc/35/03/84/201350384.db2.gz YALYDNRYFVPXOG-OLZOCXBDSA-N 1 2 275.396 3.033 10 0 CGAELO COc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)ccc1Cl ZINC000450726823 240055065 /nfs/dbraw/zinc/05/50/65/240055065.db2.gz GTVNNMPXPVDVNV-JTQLQIEISA-N 1 2 280.755 3.496 10 0 CGAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1C1CC1 ZINC000120717631 370793793 /nfs/dbraw/zinc/79/37/93/370793793.db2.gz AGMYAMFEWOQMOI-SECBINFHSA-N 1 2 292.333 3.050 10 0 CGAELO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037074081 369058449 /nfs/dbraw/zinc/05/84/49/369058449.db2.gz PCBHGMKJZTVVCN-RYUDHWBXSA-N 1 2 263.381 3.196 10 0 CGAELO Cc1noc(C[NH2+][C@H](C)c2ccc3ccccc3c2)n1 ZINC000037980729 369131541 /nfs/dbraw/zinc/13/15/41/369131541.db2.gz BHIWXSAMVRIJAY-LLVKDONJSA-N 1 2 267.332 3.382 10 0 CGAELO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1c(F)cccc1F ZINC000062999145 369634846 /nfs/dbraw/zinc/63/48/46/369634846.db2.gz WQLWFTFCTIHMBH-IAQYHMDHSA-N 1 2 277.314 3.349 10 0 CGAELO CC[C@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000133038028 371221965 /nfs/dbraw/zinc/22/19/65/371221965.db2.gz MARAGJRWUWNORV-BBRMVZONSA-N 1 2 282.378 3.490 10 0 CGAELO CC[C@H](N[C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000133038028 371221970 /nfs/dbraw/zinc/22/19/70/371221970.db2.gz MARAGJRWUWNORV-BBRMVZONSA-N 1 2 282.378 3.490 10 0 CGAELO Clc1cccc2c(N[C@@H]3CCCn4ncnc43)cc[nH+]c12 ZINC000287729918 371699096 /nfs/dbraw/zinc/69/90/96/371699096.db2.gz FTWWJPLVPAMYHI-CYBMUJFWSA-N 1 2 299.765 3.427 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)o1 ZINC000220881037 376209347 /nfs/dbraw/zinc/20/93/47/376209347.db2.gz DTSNHESAEQHUHL-SNVBAGLBSA-N 1 2 250.729 3.487 10 0 CGAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc2ccccc2o1 ZINC000164799404 372534721 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ZINC000310847054 374227444 /nfs/dbraw/zinc/22/74/44/374227444.db2.gz OVFZZIGHXPJXPY-CYBMUJFWSA-N 1 2 287.190 3.143 10 0 CGAELO C[C@@H]1C[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)CC(C)(C)C1 ZINC000184206797 374503596 /nfs/dbraw/zinc/50/35/96/374503596.db2.gz BUWOQHBAEDOPGP-HIFRSBDPSA-N 1 2 299.418 3.413 10 0 CGAELO c1csc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185871667 374758392 /nfs/dbraw/zinc/75/83/92/374758392.db2.gz STYMJRKVZZUIAL-UHFFFAOYSA-N 1 2 281.384 3.495 10 0 CGAELO Fc1ccc(F)c([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000188043881 375147166 /nfs/dbraw/zinc/14/71/66/375147166.db2.gz DGXXRQQAZNPHSC-LLVKDONJSA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(F)c([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000188043881 375147174 /nfs/dbraw/zinc/14/71/74/375147174.db2.gz DGXXRQQAZNPHSC-LLVKDONJSA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(F)c([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000188043881 375147183 /nfs/dbraw/zinc/14/71/83/375147183.db2.gz DGXXRQQAZNPHSC-LLVKDONJSA-N 1 2 277.318 3.068 10 0 CGAELO Fc1ccc(F)c([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000188043881 375147187 /nfs/dbraw/zinc/14/71/87/375147187.db2.gz DGXXRQQAZNPHSC-LLVKDONJSA-N 1 2 277.318 3.068 10 0 CGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Cl)cc1F ZINC000189375695 375379246 /nfs/dbraw/zinc/37/92/46/375379246.db2.gz ANSUZNMFGRONEW-CYBMUJFWSA-N 1 2 294.761 3.004 10 0 CGAELO CCc1noc([C@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)n1 ZINC000192359073 375737483 /nfs/dbraw/zinc/73/74/83/375737483.db2.gz CAHJDMYIWIASSD-GXFFZTMASA-N 1 2 287.363 3.066 10 0 CGAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2Cl)n1C ZINC000195024033 376070549 /nfs/dbraw/zinc/07/05/49/376070549.db2.gz AOTRMIPFKXPRDD-NSHDSACASA-N 1 2 292.814 3.443 10 0 CGAELO CCc1nnc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)n1C ZINC000195060041 376073793 /nfs/dbraw/zinc/07/37/93/376073793.db2.gz LIRHWQSDGXUAFP-NSHDSACASA-N 1 2 292.814 3.224 10 0 CGAELO CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)n1C ZINC000195060041 376073800 /nfs/dbraw/zinc/07/38/00/376073800.db2.gz LIRHWQSDGXUAFP-NSHDSACASA-N 1 2 292.814 3.224 10 0 CGAELO Cc1cc[nH+]c(N[C@H](C)[C@H]2CCCO2)c1Br ZINC000235290161 376636813 /nfs/dbraw/zinc/63/68/13/376636813.db2.gz DZWDHWWPCLBKHR-NXEZZACHSA-N 1 2 285.185 3.132 10 0 CGAELO CC[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000243729537 376787593 /nfs/dbraw/zinc/78/75/93/376787593.db2.gz PSRMUKHUJKZDPZ-CABCVRRESA-N 1 2 288.439 3.482 10 0 CGAELO CC[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000243729537 376787598 /nfs/dbraw/zinc/78/75/98/376787598.db2.gz PSRMUKHUJKZDPZ-CABCVRRESA-N 1 2 288.439 3.482 10 0 CGAELO CC(C)Cc1noc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000245424652 376813094 /nfs/dbraw/zinc/81/30/94/376813094.db2.gz KFGGCLCSGGGFRR-CXAGYDPISA-N 1 2 285.391 3.461 10 0 CGAELO CC(C)Cc1noc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000245424652 376813105 /nfs/dbraw/zinc/81/31/05/376813105.db2.gz KFGGCLCSGGGFRR-CXAGYDPISA-N 1 2 285.391 3.461 10 0 CGAELO CC(C)Cc1noc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000245424653 376813301 /nfs/dbraw/zinc/81/33/01/376813301.db2.gz KFGGCLCSGGGFRR-SUMWQHHRSA-N 1 2 285.391 3.461 10 0 CGAELO CC(C)Cc1noc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000245424653 376813308 /nfs/dbraw/zinc/81/33/08/376813308.db2.gz KFGGCLCSGGGFRR-SUMWQHHRSA-N 1 2 285.391 3.461 10 0 CGAELO C[C@H]1C[NH+](Cc2cnc(-c3ccco3)s2)C[C@H](C)O1 ZINC000194293486 542275808 /nfs/dbraw/zinc/27/58/08/542275808.db2.gz VQJCPDPSHIQDMC-QWRGUYRKSA-N 1 2 278.377 3.012 10 0 CGAELO CC[C@H]([NH2+]c1ccc(NS(=O)(=O)CC)cc1)[C@@H]1C[C@H]1C ZINC000321104561 542439597 /nfs/dbraw/zinc/43/95/97/542439597.db2.gz PQOVFWJLLGSCSQ-DFBGVHRSSA-N 1 2 296.436 3.295 10 0 CGAELO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915753 130038500 /nfs/dbraw/zinc/03/85/00/130038500.db2.gz AFJHEPOEUBLEAM-DOTOQJQBSA-N 1 2 298.434 3.007 10 0 CGAELO COC(=O)[C@]1([NH2+]C2CCCCCC2)CCc2ccccc21 ZINC000037972568 291983419 /nfs/dbraw/zinc/98/34/19/291983419.db2.gz BEQWQCTVANCKOM-SFHVURJKSA-N 1 2 287.403 3.314 10 0 CGAELO CC[C@@H]([NH2+][C@H](CC(C)C)C(=O)OC)c1ccccc1 ZINC000036981091 391978552 /nfs/dbraw/zinc/97/85/52/391978552.db2.gz FXWWSCAXVVAEHV-HUUCEWRRSA-N 1 2 263.381 3.315 10 0 CGAELO CC[C@@H](C)[C@@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000183775796 392758894 /nfs/dbraw/zinc/75/88/94/392758894.db2.gz MBBXUQBLQZPSDM-CHWSQXEVSA-N 1 2 291.439 3.110 10 0 CGAELO Nc1[nH+]cnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC000273085101 393271769 /nfs/dbraw/zinc/27/17/69/393271769.db2.gz ILUYCRPWHIIBKB-RQJHMYQMSA-N 1 2 294.708 3.245 10 0 CGAELO Nc1nc[nH+]c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC000273085101 393271773 /nfs/dbraw/zinc/27/17/73/393271773.db2.gz ILUYCRPWHIIBKB-RQJHMYQMSA-N 1 2 294.708 3.245 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1Br ZINC000077367634 165120716 /nfs/dbraw/zinc/12/07/16/165120716.db2.gz QDLLDMBWURUINK-PHIMTYICSA-N 1 2 284.197 3.058 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccccc1Br ZINC000077367634 165120717 /nfs/dbraw/zinc/12/07/17/165120717.db2.gz QDLLDMBWURUINK-PHIMTYICSA-N 1 2 284.197 3.058 10 0 CGAELO COc1ccc([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C)c1 ZINC000085638088 165183077 /nfs/dbraw/zinc/18/30/77/165183077.db2.gz GFTOHYZKFUMQIO-YUELXQCFSA-N 1 2 261.365 3.229 10 0 CGAELO COc1ccc(C(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000006025416 170169918 /nfs/dbraw/zinc/16/99/18/170169918.db2.gz TXWOFOPLSXFXQZ-UHFFFAOYSA-N 1 2 280.327 3.236 10 0 CGAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C(=O)NC1CCCCC1 ZINC000035164373 172025325 /nfs/dbraw/zinc/02/53/25/172025325.db2.gz MWQRIIGYBSVAQS-ZDUSSCGKSA-N 1 2 289.423 3.002 10 0 CGAELO CN(Cc1ccccc1)c1ccc2cc(N)ccc2[nH+]1 ZINC000035343205 172135183 /nfs/dbraw/zinc/13/51/83/172135183.db2.gz PSMXYICGHZGJMC-UHFFFAOYSA-N 1 2 263.344 3.453 10 0 CGAELO CCCC[C@H](C)[NH2+]c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000037316328 173117505 /nfs/dbraw/zinc/11/75/05/173117505.db2.gz CBSLMZFESINMPW-LBPRGKRZSA-N 1 2 284.425 3.357 10 0 CGAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000038066685 174078151 /nfs/dbraw/zinc/07/81/51/174078151.db2.gz YZMXFSOJKMPDKG-BBRMVZONSA-N 1 2 263.381 3.080 10 0 CGAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccc(CC)cc1 ZINC000038067560 174078983 /nfs/dbraw/zinc/07/89/83/174078983.db2.gz MHPUHVPJFZZELS-WFASDCNBSA-N 1 2 263.381 3.241 10 0 CGAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccccc1C ZINC000038067771 174079749 /nfs/dbraw/zinc/07/97/49/174079749.db2.gz AXTZBKAXARPVIK-XJKSGUPXSA-N 1 2 263.381 3.161 10 0 CGAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C ZINC000040295632 174223473 /nfs/dbraw/zinc/22/34/73/174223473.db2.gz GWOFIEAWULZLIR-UHFFFAOYSA-N 1 2 273.380 3.074 10 0 CGAELO Cc1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)cc1C ZINC000040702705 174379219 /nfs/dbraw/zinc/37/92/19/174379219.db2.gz OWFXGDUPNAWFCQ-UHFFFAOYSA-N 1 2 283.379 3.019 10 0 CGAELO Cc1[nH]c(CN[C@H](C)c2cc(F)ccc2F)[nH+]c1C ZINC000657301221 419246744 /nfs/dbraw/zinc/24/67/44/419246744.db2.gz WCGNKEHEJUKJRP-SNVBAGLBSA-N 1 2 265.307 3.156 10 0 CGAELO Cc1nc(C[NH2+][C@H](C)c2cc(F)ccc2F)[nH]c1C ZINC000657301221 419246747 /nfs/dbraw/zinc/24/67/47/419246747.db2.gz WCGNKEHEJUKJRP-SNVBAGLBSA-N 1 2 265.307 3.156 10 0 CGAELO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccco1 ZINC000105863381 270048033 /nfs/dbraw/zinc/04/80/33/270048033.db2.gz YUORXVYFRAGNHI-JTQLQIEISA-N 1 2 275.739 3.432 10 0 CGAELO CC[C@@H](C)[N@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195430338 270084670 /nfs/dbraw/zinc/08/46/70/270084670.db2.gz VCYOWPFGFILZRV-CQSZACIVSA-N 1 2 287.411 3.055 10 0 CGAELO CC[C@@H](C)[N@@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195430338 270084671 /nfs/dbraw/zinc/08/46/71/270084671.db2.gz VCYOWPFGFILZRV-CQSZACIVSA-N 1 2 287.411 3.055 10 0 CGAELO Cc1ccn(-c2ccccc2N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000183440339 278976160 /nfs/dbraw/zinc/97/61/60/278976160.db2.gz BZCGCJHAQWKPOO-ZDUSSCGKSA-N 1 2 281.363 3.087 10 0 CGAELO Clc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000173400101 294111874 /nfs/dbraw/zinc/11/18/74/294111874.db2.gz JRYQXPLSMJUXNN-CYBMUJFWSA-N 1 2 276.771 3.185 10 0 CGAELO Clc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000173400101 294111878 /nfs/dbraw/zinc/11/18/78/294111878.db2.gz JRYQXPLSMJUXNN-CYBMUJFWSA-N 1 2 276.771 3.185 10 0 CGAELO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000195093136 336045079 /nfs/dbraw/zinc/04/50/79/336045079.db2.gz MMTIVUJLRXTCSJ-NSHDSACASA-N 1 2 292.814 3.453 10 0 CGAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000195093136 336045081 /nfs/dbraw/zinc/04/50/81/336045081.db2.gz MMTIVUJLRXTCSJ-NSHDSACASA-N 1 2 292.814 3.453 10 0 CGAELO Cc1cc(N2CC[C@H](O)c3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000359909947 533907683 /nfs/dbraw/zinc/90/76/83/533907683.db2.gz ZJJOPNTUTNYEAY-INIZCTEOSA-N 1 2 295.386 3.106 10 0 CGAELO CNc1ccc(Cl)c(C[N@@H+]2CCc3sccc3C2)n1 ZINC000061630713 522621953 /nfs/dbraw/zinc/62/19/53/522621953.db2.gz SZXHLBOMGGHGDP-UHFFFAOYSA-N 1 2 293.823 3.397 10 0 CGAELO CNc1ccc(Cl)c(C[N@H+]2CCc3sccc3C2)n1 ZINC000061630713 522621964 /nfs/dbraw/zinc/62/19/64/522621964.db2.gz SZXHLBOMGGHGDP-UHFFFAOYSA-N 1 2 293.823 3.397 10 0 CGAELO COc1ccc(NC2=[NH+]C(C)(C)CS2)cc1C ZINC000049531648 524675259 /nfs/dbraw/zinc/67/52/59/524675259.db2.gz ZAJOHMSBGSXTTK-UHFFFAOYSA-N 1 2 250.367 3.297 10 0 CGAELO Nc1[nH+]cccc1COc1cccc(C(F)(F)F)c1 ZINC000052755210 527568287 /nfs/dbraw/zinc/56/82/87/527568287.db2.gz DINMIUVPLYVQTI-UHFFFAOYSA-N 1 2 268.238 3.262 10 0 CGAELO CCn1cc[nH+]c1CNc1cc(Cl)ccc1NC(C)=O ZINC000124273638 536111125 /nfs/dbraw/zinc/11/11/25/536111125.db2.gz QHGAARNGIHMXJB-UHFFFAOYSA-N 1 2 292.770 3.127 10 0 CGAELO C[C@@H]([NH2+]Cc1csnn1)c1ccc(F)c(Cl)c1 ZINC000398343996 572500122 /nfs/dbraw/zinc/50/01/22/572500122.db2.gz SXKXVJJZNGYYDW-SSDOTTSWSA-N 1 2 271.748 3.181 10 0 CGAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000888077625 618669358 /nfs/dbraw/zinc/66/93/58/618669358.db2.gz MIAAOSUDNRPVGL-IAGOWNOFSA-N 1 2 297.402 3.249 10 0 CGAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000888077625 618669362 /nfs/dbraw/zinc/66/93/62/618669362.db2.gz MIAAOSUDNRPVGL-IAGOWNOFSA-N 1 2 297.402 3.249 10 0 CGAELO Cc1cc2c(nc(N3CCCC3)[nH+]c2N2CCCC[C@H]2C)[nH]1 ZINC000223922441 622867402 /nfs/dbraw/zinc/86/74/02/622867402.db2.gz FQKGPCMLHOIQTQ-CYBMUJFWSA-N 1 2 299.422 3.245 10 0 CGAELO Oc1ccc2[nH+]c(-c3cccc(Br)c3)cn2c1 ZINC000095803077 185027764 /nfs/dbraw/zinc/02/77/64/185027764.db2.gz LJVSYWJWTPDISH-UHFFFAOYSA-N 1 2 289.132 3.469 10 0 CGAELO CCn1cc[nH+]c1CSCc1ccccc1F ZINC000175271757 529581391 /nfs/dbraw/zinc/58/13/91/529581391.db2.gz OXRJSMSTMPHJNH-UHFFFAOYSA-N 1 2 250.342 3.476 10 0 CGAELO Cc1cc(NC[C@@H]2CCC[C@@H]2O)c2cccc(F)c2[nH+]1 ZINC000127872579 187338599 /nfs/dbraw/zinc/33/85/99/187338599.db2.gz RFROTQDCIWFNPD-NHYWBVRUSA-N 1 2 274.339 3.255 10 0 CGAELO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2F)no1 ZINC000044692388 345015256 /nfs/dbraw/zinc/01/52/56/345015256.db2.gz FXCCJNUTHBWQCS-VIFPVBQESA-N 1 2 252.264 3.112 10 0 CGAELO Cc1ccc([C@@H]2[NH2+]CCS2)c(Br)c1 ZINC000129757543 346051860 /nfs/dbraw/zinc/05/18/60/346051860.db2.gz YFLWLEJANSCXBL-SNVBAGLBSA-N 1 2 258.184 3.093 10 0 CGAELO COC(=O)c1ccc(-n2c(C)[nH+]c3ccccc32)cc1 ZINC000168933063 346191289 /nfs/dbraw/zinc/19/12/89/346191289.db2.gz GTEPAOGRPPMNHX-UHFFFAOYSA-N 1 2 266.300 3.121 10 0 CGAELO O=C1CC[N@@H+]2C[C@@H](c3cccc(Cl)c3)CC[C@@H]2C1 ZINC000225118143 346303110 /nfs/dbraw/zinc/30/31/10/346303110.db2.gz VZLKENVYFUVHPS-GXTWGEPZSA-N 1 2 263.768 3.251 10 0 CGAELO O=C1CC[N@H+]2C[C@@H](c3cccc(Cl)c3)CC[C@@H]2C1 ZINC000225118143 346303114 /nfs/dbraw/zinc/30/31/14/346303114.db2.gz VZLKENVYFUVHPS-GXTWGEPZSA-N 1 2 263.768 3.251 10 0 CGAELO C[C@@H](COCc1ccccc1)[NH2+]Cc1n[nH]c2ccccc21 ZINC000608067131 348282335 /nfs/dbraw/zinc/28/23/35/348282335.db2.gz YABCPTAZDWUZEC-AWEZNQCLSA-N 1 2 295.386 3.258 10 0 CGAELO CC(C)(C)N1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616583457 348836183 /nfs/dbraw/zinc/83/61/83/348836183.db2.gz FOPLODKPGGLEIX-ZDUSSCGKSA-N 1 2 256.353 3.181 10 0 CGAELO CC(C)N1CC[C@@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616586399 348837067 /nfs/dbraw/zinc/83/70/67/348837067.db2.gz LMLKBZNSURFKBG-CYBMUJFWSA-N 1 2 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CCC[C@H]1C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301441560 373775618 /nfs/dbraw/zinc/77/56/18/373775618.db2.gz MLOXFNSWFVUTNJ-STQMWFEESA-N 1 2 260.385 3.067 10 0 CGAELO CC(C)(CNC(=O)[C@H]1CCCn2cc[nH+]c21)C1CCCC1 ZINC000178887037 373815218 /nfs/dbraw/zinc/81/52/18/373815218.db2.gz HYECXJGSGKHOGU-AWEZNQCLSA-N 1 2 289.423 3.093 10 0 CGAELO CC1(C)CCC[C@@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000178994621 373825933 /nfs/dbraw/zinc/82/59/33/373825933.db2.gz WTQXSWYRCBTZMO-CABCVRRESA-N 1 2 289.423 3.091 10 0 CGAELO CC(C)CSCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182698780 374316355 /nfs/dbraw/zinc/31/63/55/374316355.db2.gz ZXTHBKYFIHKLPX-ZDUSSCGKSA-N 1 2 282.457 3.111 10 0 CGAELO CC(C)CSCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182698780 374316364 /nfs/dbraw/zinc/31/63/64/374316364.db2.gz ZXTHBKYFIHKLPX-ZDUSSCGKSA-N 1 2 282.457 3.111 10 0 CGAELO CC(C)CSCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000182698780 374316372 /nfs/dbraw/zinc/31/63/72/374316372.db2.gz ZXTHBKYFIHKLPX-ZDUSSCGKSA-N 1 2 282.457 3.111 10 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CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)ccc2F)o1 ZINC000220935836 376210607 /nfs/dbraw/zinc/21/06/07/376210607.db2.gz VJTFQWITASPZCY-SECBINFHSA-N 1 2 252.264 3.112 10 0 CGAELO CCOC(=O)[C@@H]([NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000225243544 376298267 /nfs/dbraw/zinc/29/82/67/376298267.db2.gz SUHAVWVXJHIKTG-GJZGRUSLSA-N 1 2 263.381 3.315 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc3ncccc3c2)o1 ZINC000231531784 376560344 /nfs/dbraw/zinc/56/03/44/376560344.db2.gz ZSTDUZTYPFMIKB-GFCCVEGCSA-N 1 2 267.332 3.382 10 0 CGAELO CC[C@H](Nc1nc[nH+]c(N)c1Cl)c1cccs1 ZINC000234043209 376610858 /nfs/dbraw/zinc/61/08/58/376610858.db2.gz SQGYWNCWILQXRE-ZETCQYMHSA-N 1 2 268.773 3.337 10 0 CGAELO CC[C@H](Nc1[nH+]cnc(N)c1Cl)c1cccs1 ZINC000234043209 376610867 /nfs/dbraw/zinc/61/08/67/376610867.db2.gz SQGYWNCWILQXRE-ZETCQYMHSA-N 1 2 268.773 3.337 10 0 CGAELO Cc1cc[nH+]c(N[C@@H](C)[C@H]2CCCO2)c1Br ZINC000235541842 376643773 /nfs/dbraw/zinc/64/37/73/376643773.db2.gz DZWDHWWPCLBKHR-VHSXEESVSA-N 1 2 285.185 3.132 10 0 CGAELO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc21 ZINC000193670244 542272867 /nfs/dbraw/zinc/27/28/67/542272867.db2.gz HKEOYJOLLSWPPX-MLGOLLRUSA-N 1 2 283.375 3.097 10 0 CGAELO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc21 ZINC000193670244 542272870 /nfs/dbraw/zinc/27/28/70/542272870.db2.gz HKEOYJOLLSWPPX-MLGOLLRUSA-N 1 2 283.375 3.097 10 0 CGAELO CC1CCC(C[NH2+]Cc2[nH]ncc2Br)CC1 ZINC000309789329 542425849 /nfs/dbraw/zinc/42/58/49/542425849.db2.gz OUYWPFZOFFRQHG-UHFFFAOYSA-N 1 2 286.217 3.088 10 0 CGAELO C[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(C2CCCCC2)no1 ZINC000237468281 131034581 /nfs/dbraw/zinc/03/45/81/131034581.db2.gz ZVPUTZKATUVEDQ-LLVKDONJSA-N 1 2 274.368 3.296 10 0 CGAELO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000193215355 392873174 /nfs/dbraw/zinc/87/31/74/392873174.db2.gz MPZZXDNELJSMDR-VIFPVBQESA-N 1 2 281.306 3.322 10 0 CGAELO CSc1ccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000080500889 165157424 /nfs/dbraw/zinc/15/74/24/165157424.db2.gz OSKVFHRYSIHVHJ-CYBMUJFWSA-N 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Clc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000248745729 377393630 /nfs/dbraw/zinc/39/36/30/377393630.db2.gz AYIWOAGUEIVQJV-CJNGLKHVSA-N 1 2 293.794 3.406 10 0 CGAELO CCn1cc[nH+]c1C[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000083036775 249006075 /nfs/dbraw/zinc/00/60/75/249006075.db2.gz YUPRCYAYTSUOFV-ORAYPTAESA-N 1 2 276.405 3.221 10 0 CGAELO C[C@@H]1CS[C@@H](c2ccsc2Br)[NH2+]1 ZINC000575542429 377917273 /nfs/dbraw/zinc/91/72/73/377917273.db2.gz SJQJVOGKSLISMK-XRGYYRRGSA-N 1 2 264.213 3.234 10 0 CGAELO Cc1cnc([C@@H](C)[NH2+]Cc2c(C)nc3sc(C)cn23)o1 ZINC000231531874 542304921 /nfs/dbraw/zinc/30/49/21/542304921.db2.gz LONVXGRGTQTFMY-LLVKDONJSA-N 1 2 290.392 3.160 10 0 CGAELO c1cn(-c2ccccc2)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000191254085 130209995 /nfs/dbraw/zinc/20/99/95/130209995.db2.gz XOHMUGGBQYRSRT-IRXDYDNUSA-N 1 2 297.402 3.016 10 0 CGAELO c1cn(-c2ccccc2)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000191254085 130209997 /nfs/dbraw/zinc/20/99/97/130209997.db2.gz 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ZINC000616667250 348859883 /nfs/dbraw/zinc/85/98/83/348859883.db2.gz IJBRAQQYWWBRIF-ZDUSSCGKSA-N 1 2 271.320 3.060 10 0 CGAELO CC(C)(C)N1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616676488 348863950 /nfs/dbraw/zinc/86/39/50/348863950.db2.gz WGTLLYFGPZOVQQ-AWEZNQCLSA-N 1 2 255.365 3.481 10 0 CGAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)s2)o1 ZINC000193111273 138481761 /nfs/dbraw/zinc/48/17/61/138481761.db2.gz PHJGTEYDMOYQQF-ZETCQYMHSA-N 1 2 271.773 3.198 10 0 CGAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000195096171 138488035 /nfs/dbraw/zinc/48/80/35/138488035.db2.gz HFYBSTAFFKAJNO-OAHLLOKOSA-N 1 2 288.370 3.083 10 0 CGAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000195096171 138488037 /nfs/dbraw/zinc/48/80/37/138488037.db2.gz HFYBSTAFFKAJNO-OAHLLOKOSA-N 1 2 288.370 3.083 10 0 CGAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1Cl ZINC000176687007 189004383 /nfs/dbraw/zinc/00/43/83/189004383.db2.gz BWUIMTHDPPPJAG-GWCFXTLKSA-N 1 2 276.771 3.117 10 0 CGAELO C[C@H](NC(=O)[C@@H](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178523358 189123816 /nfs/dbraw/zinc/12/38/16/189123816.db2.gz PIWVWURVXLHZFW-STQMWFEESA-N 1 2 283.375 3.096 10 0 CGAELO Cc1nc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181395101 189295403 /nfs/dbraw/zinc/29/54/03/189295403.db2.gz YAMCNTYHDJHJCR-GFCCVEGCSA-N 1 2 289.379 3.264 10 0 CGAELO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000181411012 189296078 /nfs/dbraw/zinc/29/60/78/189296078.db2.gz FYSXMWLRXPPTGS-UWVGGRQHSA-N 1 2 295.770 3.281 10 0 CGAELO CSC(C)(C)CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301448519 201012524 /nfs/dbraw/zinc/01/25/24/201012524.db2.gz PAQCRDLSEUEZGZ-GFCCVEGCSA-N 1 2 294.468 3.266 10 0 CGAELO CSC(C)(C)CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000301448519 201012525 /nfs/dbraw/zinc/01/25/25/201012525.db2.gz PAQCRDLSEUEZGZ-GFCCVEGCSA-N 1 2 294.468 3.266 10 0 CGAELO Cc1cc2ccccc2[nH+]c1NCc1ccnc2ccnn21 ZINC000302031247 201308803 /nfs/dbraw/zinc/30/88/03/201308803.db2.gz IMRWJBGCVFRFLM-UHFFFAOYSA-N 1 2 289.342 3.198 10 0 CGAELO CCc1cc(N2CCC[C@H]2c2ccco2)nc(C)[nH+]1 ZINC000302056501 201324458 /nfs/dbraw/zinc/32/44/58/201324458.db2.gz QTVLOHMLWOCYNQ-ZDUSSCGKSA-N 1 2 257.337 3.282 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000120883882 370810392 /nfs/dbraw/zinc/81/03/92/370810392.db2.gz JFIVWLGXPRCFMW-GASCZTMLSA-N 1 2 298.386 3.483 10 0 CGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000120883882 370810395 /nfs/dbraw/zinc/81/03/95/370810395.db2.gz JFIVWLGXPRCFMW-GASCZTMLSA-N 1 2 298.386 3.483 10 0 CGAELO CCc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000037979920 369130819 /nfs/dbraw/zinc/13/08/19/369130819.db2.gz LLYOQJYMFPXNBU-LLVKDONJSA-N 1 2 281.363 3.099 10 0 CGAELO CCc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C)cc1 ZINC000037979921 369130833 /nfs/dbraw/zinc/13/08/33/369130833.db2.gz LLYOQJYMFPXNBU-NSHDSACASA-N 1 2 281.363 3.099 10 0 CGAELO C[C@H]([NH2+]Cc1cnns1)c1ccccc1Br ZINC000290159954 371916824 /nfs/dbraw/zinc/91/68/24/371916824.db2.gz XJORYRJWEMHZDI-QMMMGPOBSA-N 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375740014 /nfs/dbraw/zinc/74/00/14/375740014.db2.gz XPWURTNUDTWYSR-ZDUSSCGKSA-N 1 2 287.363 3.066 10 0 CGAELO Clc1cccc(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000192787440 375790009 /nfs/dbraw/zinc/79/00/09/375790009.db2.gz UEJAVVZVZPMWAX-GFCCVEGCSA-N 1 2 288.782 3.068 10 0 CGAELO CC(C)c1ccc([C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000195030314 376070111 /nfs/dbraw/zinc/07/01/11/376070111.db2.gz WLPBRXMPPZLIKV-CQSZACIVSA-N 1 2 299.418 3.354 10 0 CGAELO CC(C)c1nnc(C[N@H+](C)[C@H]2CCc3ccccc32)n1C ZINC000195052800 376072548 /nfs/dbraw/zinc/07/25/48/376072548.db2.gz HVAADFLLCBXZHX-HNNXBMFYSA-N 1 2 284.407 3.058 10 0 CGAELO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCc3ccccc32)n1C ZINC000195052800 376072556 /nfs/dbraw/zinc/07/25/56/376072556.db2.gz HVAADFLLCBXZHX-HNNXBMFYSA-N 1 2 284.407 3.058 10 0 CGAELO NNc1nc(C(F)(F)F)cc(-c2cccc(Cl)c2)[nH+]1 ZINC000217025508 376171489 /nfs/dbraw/zinc/17/14/89/376171489.db2.gz IOZVLBJTSZLLLP-UHFFFAOYSA-N 1 2 288.660 3.101 10 0 CGAELO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000245409247 376807969 /nfs/dbraw/zinc/80/79/69/376807969.db2.gz LFMHKMKPZGPIEU-ZBEGNZNMSA-N 1 2 289.354 3.354 10 0 CGAELO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)o1 ZINC000245409247 376807974 /nfs/dbraw/zinc/80/79/74/376807974.db2.gz LFMHKMKPZGPIEU-ZBEGNZNMSA-N 1 2 289.354 3.354 10 0 CGAELO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000245810785 376912890 /nfs/dbraw/zinc/91/28/90/376912890.db2.gz ZIJDQDPHLPMDOQ-ZBEGNZNMSA-N 1 2 273.355 3.440 10 0 CGAELO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000245810785 376912901 /nfs/dbraw/zinc/91/29/01/376912901.db2.gz ZIJDQDPHLPMDOQ-ZBEGNZNMSA-N 1 2 273.355 3.440 10 0 CGAELO Cc1nc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000246850633 377104572 /nfs/dbraw/zinc/10/45/72/377104572.db2.gz BRDXQFWAZVVJQB-SJORKVTESA-N 1 2 297.402 3.082 10 0 CGAELO Cc1nc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000246850633 377104577 /nfs/dbraw/zinc/10/45/77/377104577.db2.gz 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287385050 /nfs/dbraw/zinc/38/50/50/287385050.db2.gz QPKUQKWEJHQXPM-ZDUSSCGKSA-N 1 2 297.406 3.028 10 0 CGAELO Cc1cncc(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c1 ZINC000131609051 287385052 /nfs/dbraw/zinc/38/50/52/287385052.db2.gz QPKUQKWEJHQXPM-ZDUSSCGKSA-N 1 2 297.406 3.028 10 0 CGAELO Cc1noc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000038034543 260124575 /nfs/dbraw/zinc/12/45/75/260124575.db2.gz DVJYVDCEPDRBSZ-AWEZNQCLSA-N 1 2 271.364 3.280 10 0 CGAELO Cc1c([C@H](C)[NH2+]Cc2cscn2)cnn1C(C)(C)C ZINC000191246269 270074497 /nfs/dbraw/zinc/07/44/97/270074497.db2.gz BGTUUTCHABCCNS-JTQLQIEISA-N 1 2 278.425 3.254 10 0 CGAELO CC[C@H](C)[N@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195430343 270084828 /nfs/dbraw/zinc/08/48/28/270084828.db2.gz VCYOWPFGFILZRV-AWEZNQCLSA-N 1 2 287.411 3.055 10 0 CGAELO CC[C@H](C)[N@@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195430343 270084829 /nfs/dbraw/zinc/08/48/29/270084829.db2.gz VCYOWPFGFILZRV-AWEZNQCLSA-N 1 2 287.411 3.055 10 0 CGAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000134959547 302764046 /nfs/dbraw/zinc/76/40/46/302764046.db2.gz ABUSPGQXNQYNQM-HNNXBMFYSA-N 1 2 295.390 3.255 10 0 CGAELO CC/C=C/CC[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000184492481 520200181 /nfs/dbraw/zinc/20/01/81/520200181.db2.gz ZFVIVJIXBPCNAK-IHVVCDCBSA-N 1 2 266.410 3.181 10 0 CGAELO CC/C=C/CC[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000184492481 520200187 /nfs/dbraw/zinc/20/01/87/520200187.db2.gz ZFVIVJIXBPCNAK-IHVVCDCBSA-N 1 2 266.410 3.181 10 0 CGAELO CC[NH2+][C@@H](c1nnc(C(C)(C)C)o1)c1ccccc1 ZINC000050618137 520113797 /nfs/dbraw/zinc/11/37/97/520113797.db2.gz CGQJYHHJFLHTGP-GFCCVEGCSA-N 1 2 259.353 3.066 10 0 CGAELO CCc1cc(NC)nc(Cc2ccc(F)cc2Cl)[nH+]1 ZINC000062608799 523819920 /nfs/dbraw/zinc/81/99/20/523819920.db2.gz QWQHIZKEERLUOR-UHFFFAOYSA-N 1 2 279.746 3.464 10 0 CGAELO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(Cl)cc1Cl ZINC000049236030 524964624 /nfs/dbraw/zinc/96/46/24/524964624.db2.gz VBRZGRFTEFLAGR-QMMMGPOBSA-N 1 2 271.151 3.086 10 0 CGAELO Cc1cc(-c2nc(N)cc(C(C)C)[nH+]2)cc(C)c1O 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