smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1CCc2c(C#N)c(NC(=O)c3nc4ccccc4s3)sc2C1 ZINC000004086995 817502288 /nfs/dbraw/zinc/50/22/88/817502288.db2.gz APPWJMMAKJKMEN-UHFFFAOYSA-N 1 1 382.514 4.248 50 30 GIEAMO CC(C)[N@H+]1CCc2c(C#N)c(NC(=O)c3nc4ccccc4s3)sc2C1 ZINC000004086995 817502292 /nfs/dbraw/zinc/50/22/92/817502292.db2.gz APPWJMMAKJKMEN-UHFFFAOYSA-N 1 1 382.514 4.248 50 30 GIEAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000040155722 821151892 /nfs/dbraw/zinc/15/18/92/821151892.db2.gz HWRSAFQHKLZDJP-AWEZNQCLSA-N 1 1 379.426 4.183 50 30 GIEAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000040155722 821151897 /nfs/dbraw/zinc/15/18/97/821151897.db2.gz HWRSAFQHKLZDJP-AWEZNQCLSA-N 1 1 379.426 4.183 50 30 GIEAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020955987 521272971 /nfs/dbraw/zinc/27/29/71/521272971.db2.gz JFHFQNMLEKGTMY-OAQYLSRUSA-N 1 1 395.478 4.308 50 30 GIEAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020955987 521272981 /nfs/dbraw/zinc/27/29/81/521272981.db2.gz JFHFQNMLEKGTMY-OAQYLSRUSA-N 1 1 395.478 4.308 50 30 GIEAMO COc1ccc([NH+]=CNc2cc(C)c(C#N)c3nc4ccccc4n32)c(OC)c1 ZINC000017173008 524378594 /nfs/dbraw/zinc/37/85/94/524378594.db2.gz VAMHEHDLQZUGQM-UHFFFAOYSA-N 1 1 385.427 4.457 50 30 GIEAMO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000036395688 526235134 /nfs/dbraw/zinc/23/51/34/526235134.db2.gz SFOCNTZMIFRDEV-HNNXBMFYSA-N 1 1 383.458 4.111 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000002705085 570277261 /nfs/dbraw/zinc/27/72/61/570277261.db2.gz SJYUNGYUAQQYNO-UHFFFAOYSA-N 1 1 375.438 4.474 50 30 GIEAMO Cc1cccc(OCC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)c1C ZINC000004723518 570397903 /nfs/dbraw/zinc/39/79/03/570397903.db2.gz QHSCOJDADYNMSW-UHFFFAOYSA-N 1 1 381.259 4.047 50 30 GIEAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907440 570907530 /nfs/dbraw/zinc/90/75/30/570907530.db2.gz RBKDCZWIOHKWML-KBPBESRZSA-N 1 1 396.516 4.099 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000002209981 570932790 /nfs/dbraw/zinc/93/27/90/570932790.db2.gz HUXDQFHSQFVBCO-UHFFFAOYSA-N 1 1 386.337 4.218 50 30 GIEAMO CC(=O)O[C@@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430736 570955916 /nfs/dbraw/zinc/95/59/16/570955916.db2.gz HJMJDULWIZHBIX-ZEQRLZLVSA-N 1 1 376.500 4.177 50 30 GIEAMO CC(=O)O[C@@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430736 570955917 /nfs/dbraw/zinc/95/59/17/570955917.db2.gz HJMJDULWIZHBIX-ZEQRLZLVSA-N 1 1 376.500 4.177 50 30 GIEAMO Cc1ccc(-c2oc(=O)c(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)c2C)cc1 ZINC000585145669 570969585 /nfs/dbraw/zinc/96/95/85/570969585.db2.gz VGVVFAWDUMJTRY-UHFFFAOYSA-N 1 1 399.494 4.118 50 30 GIEAMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(C)(C)C)cc1 ZINC000002649835 817396366 /nfs/dbraw/zinc/39/63/66/817396366.db2.gz OQRGSXAPXAYNCE-UHFFFAOYSA-N 1 1 381.545 4.476 50 30 GIEAMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(C)(C)C)cc1 ZINC000002649835 817396375 /nfs/dbraw/zinc/39/63/75/817396375.db2.gz OQRGSXAPXAYNCE-UHFFFAOYSA-N 1 1 381.545 4.476 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)[C@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000004083719 817501873 /nfs/dbraw/zinc/50/18/73/817501873.db2.gz RNTVEMBMXUXGLJ-ROOUNICHSA-N 1 1 397.559 4.355 50 30 GIEAMO COc1ccc2c(c1)SCC(=NNC1=[NH+]c3ccc(OC)cc3SC1)N2 ZINC000000688099 570218357 /nfs/dbraw/zinc/21/83/57/570218357.db2.gz GCTYUAQVENROHB-UHFFFAOYSA-N 1 1 386.502 4.151 50 30 GIEAMO Cc1[nH]c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000024830017 570310301 /nfs/dbraw/zinc/31/03/01/570310301.db2.gz CLDHBTFUUGFHDZ-UHFFFAOYSA-N 1 1 386.499 4.005 50 30 GIEAMO Cc1[nH]c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000024830017 570310303 /nfs/dbraw/zinc/31/03/03/570310303.db2.gz CLDHBTFUUGFHDZ-UHFFFAOYSA-N 1 1 386.499 4.005 50 30 GIEAMO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004685128 570392888 /nfs/dbraw/zinc/39/28/88/570392888.db2.gz ZCLPRURFQJWCRX-UHFFFAOYSA-N 1 1 387.650 4.327 50 30 GIEAMO C=CC[C@@H]1C=CC[C@@H](CC=C)[N@@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000169682775 570784468 /nfs/dbraw/zinc/78/44/68/570784468.db2.gz SBHWYMPHTLLVGA-JHJVBQTASA-N 1 1 375.328 4.332 50 30 GIEAMO C=CCn1c2ccc(C)cc2cc(C[N@H+](C)[C@@H](C)c2c(C)nn(C)c2C)c1=O ZINC000014983019 818280613 /nfs/dbraw/zinc/28/06/13/818280613.db2.gz NOJXTFSMABFLNT-KRWDZBQOSA-N 1 1 378.520 4.039 50 30 GIEAMO C=CCn1c2ccc(C)cc2cc(C[N@H+](C)[C@H](C)c2c(C)nn(C)c2C)c1=O ZINC000014983016 818280833 /nfs/dbraw/zinc/28/08/33/818280833.db2.gz NOJXTFSMABFLNT-QGZVFWFLSA-N 1 1 378.520 4.039 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000010036995 204328398 /nfs/dbraw/zinc/32/83/98/204328398.db2.gz GOXZLNRKQDELKF-LJQANCHMSA-N 1 1 383.517 4.231 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000010036995 204328402 /nfs/dbraw/zinc/32/84/02/204328402.db2.gz GOXZLNRKQDELKF-LJQANCHMSA-N 1 1 383.517 4.231 50 30 GIEAMO N#Cc1ccc(OCC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000078772633 205375896 /nfs/dbraw/zinc/37/58/96/205375896.db2.gz YDOHOKXMSPASBP-UHFFFAOYSA-N 1 1 379.287 4.128 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000027430550 206014162 /nfs/dbraw/zinc/01/41/62/206014162.db2.gz RNTVEMBMXUXGLJ-FYAUDMOQSA-N 1 1 397.559 4.355 50 30 GIEAMO C#CCOc1cccc(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)c1 ZINC000095459686 518331995 /nfs/dbraw/zinc/33/19/95/518331995.db2.gz MNPBYMWSEVPQBA-UHFFFAOYSA-N 1 1 385.552 4.311 50 30 GIEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)CC1 ZINC000012040018 518645511 /nfs/dbraw/zinc/64/55/11/518645511.db2.gz GYWHBKAVGKXEOX-JOCHJYFZSA-N 1 1 376.548 4.224 50 30 GIEAMO C=CCc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCC2)c(OC)c1 ZINC000021785134 519139994 /nfs/dbraw/zinc/13/99/94/519139994.db2.gz NJXHBBOYYJBTOT-UHFFFAOYSA-N 1 1 391.515 4.448 50 30 GIEAMO CCCC[N@H+](C)CN1c2ccccc2/C(=N\c2ccc(C(=O)OCC)cc2)C1=O ZINC000034872199 520410158 /nfs/dbraw/zinc/41/01/58/520410158.db2.gz CRTCIGSFPRDSBP-DARPEHSRSA-N 1 1 393.487 4.020 50 30 GIEAMO CCCC[N@@H+](C)CN1c2ccccc2/C(=N\c2ccc(C(=O)OCC)cc2)C1=O ZINC000034872199 520410163 /nfs/dbraw/zinc/41/01/63/520410163.db2.gz CRTCIGSFPRDSBP-DARPEHSRSA-N 1 1 393.487 4.020 50 30 GIEAMO COc1ccccc1OCC[N@@H+](C)CCC[C@@]1(C#N)CCOc2ccccc21 ZINC000000627634 524671005 /nfs/dbraw/zinc/67/10/05/524671005.db2.gz KZLUCCANDBUTHX-QHCPKHFHSA-N 1 1 380.488 4.030 50 30 GIEAMO N#CC1(c2ccccc2)CC[NH+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067856093 526438610 /nfs/dbraw/zinc/43/86/10/526438610.db2.gz MUZPUQDCFGMOKM-UHFFFAOYSA-N 1 1 393.494 4.454 50 30 GIEAMO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019775025 526664137 /nfs/dbraw/zinc/66/41/37/526664137.db2.gz SQWDOAIRYGOUIG-UHFFFAOYSA-N 1 1 380.491 4.044 50 30 GIEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC ZINC000097032708 526867138 /nfs/dbraw/zinc/86/71/38/526867138.db2.gz IANSMGVONFBPRK-HXUWFJFHSA-N 1 1 377.488 4.484 50 30 GIEAMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC ZINC000097032708 526867140 /nfs/dbraw/zinc/86/71/40/526867140.db2.gz IANSMGVONFBPRK-HXUWFJFHSA-N 1 1 377.488 4.484 50 30 GIEAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012437505 570237771 /nfs/dbraw/zinc/23/77/71/570237771.db2.gz WANLQXQWCAYCOO-NRFANRHFSA-N 1 1 395.930 4.477 50 30 GIEAMO COc1ccc(CC[C@@](C)(O)C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000245226127 570434268 /nfs/dbraw/zinc/43/42/68/570434268.db2.gz IRUDFFVUOWSUDD-ZEQRLZLVSA-N 1 1 378.516 4.004 50 30 GIEAMO COc1ccc(CC[C@@](C)(O)C#CC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000245226127 570434270 /nfs/dbraw/zinc/43/42/70/570434270.db2.gz IRUDFFVUOWSUDD-ZEQRLZLVSA-N 1 1 378.516 4.004 50 30 GIEAMO Br/C(C=NN1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000252429336 570442311 /nfs/dbraw/zinc/44/23/11/570442311.db2.gz DYNORDCFBLDDQF-CWWMYSCLSA-N 1 1 384.321 4.226 50 30 GIEAMO CCCCCCC[N@@H+](CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008214402 570524281 /nfs/dbraw/zinc/52/42/81/570524281.db2.gz ALOBUEHUHMBRLE-HXUWFJFHSA-N 1 1 384.586 4.164 50 30 fda GIEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@@H]1C)[N@H+](C)CC3)OCO2 ZINC000229994109 570741056 /nfs/dbraw/zinc/74/10/56/570741056.db2.gz FKYITSOBJSHMDA-USMVIVTJSA-N 1 1 397.515 4.461 50 30 GIEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@@H]1C)[N@@H+](C)CC3)OCO2 ZINC000229994109 570741059 /nfs/dbraw/zinc/74/10/59/570741059.db2.gz FKYITSOBJSHMDA-USMVIVTJSA-N 1 1 397.515 4.461 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3Br)CC2)c(C)c1 ZINC000002210996 570932796 /nfs/dbraw/zinc/93/27/96/570932796.db2.gz KVAKOWLLYFGQFQ-UHFFFAOYSA-N 1 1 386.337 4.218 50 30 GIEAMO C[NH+]1CCN(c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2C#N)CC1 ZINC000001393437 570977728 /nfs/dbraw/zinc/97/77/28/570977728.db2.gz YZUMPBDOIZAVDL-UHFFFAOYSA-N 1 1 389.890 4.087 50 30 GIEAMO C=CC[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cnc(CCC)nc2)C1 ZINC000065407027 571000677 /nfs/dbraw/zinc/00/06/77/571000677.db2.gz DTMBQICMRJPGMN-LJQANCHMSA-N 1 1 387.531 4.468 50 30 GIEAMO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1 ZINC000004576841 204054181 /nfs/dbraw/zinc/05/41/81/204054181.db2.gz UTACBOZFSYDQBU-UHFFFAOYSA-N 1 1 375.266 4.224 50 30 GIEAMO C=CC[C@@H]1C=CC[C@@H](CC=C)[N@@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000005188465 204118248 /nfs/dbraw/zinc/11/82/48/204118248.db2.gz SBHWYMPHTLLVGA-UPJWGTAASA-N 1 1 375.328 4.332 50 30 GIEAMO [NH2+]=C(NOC(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000004986321 204099450 /nfs/dbraw/zinc/09/94/50/204099450.db2.gz PCBMOQZMOYNCTG-UHFFFAOYSA-N 1 1 388.048 4.233 50 30 GIEAMO Cc1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000040149556 205058266 /nfs/dbraw/zinc/05/82/66/205058266.db2.gz JVVKTUVQBMQUDC-UHFFFAOYSA-N 1 1 388.562 4.114 50 30 GIEAMO COc1ccc(CC[C@@](C)(O)C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236059 523981751 /nfs/dbraw/zinc/98/17/51/523981751.db2.gz IRUDFFVUOWSUDD-RPWUZVMVSA-N 1 1 378.516 4.004 50 30 GIEAMO COc1ccc(CC[C@@](C)(O)C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236059 523981755 /nfs/dbraw/zinc/98/17/55/523981755.db2.gz IRUDFFVUOWSUDD-RPWUZVMVSA-N 1 1 378.516 4.004 50 30 GIEAMO COc1ccc(/C=C2\Oc3c(cc(C[NH+]4CCCCC4)c(O)c3C)C2=O)cc1 ZINC000023127122 570911932 /nfs/dbraw/zinc/91/19/32/570911932.db2.gz JHXZQVQHXSOUDO-NDENLUEZSA-N 1 1 379.456 4.311 50 30 GIEAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000032930270 570942544 /nfs/dbraw/zinc/94/25/44/570942544.db2.gz SYMUXYRMFLOATO-LJQANCHMSA-N 1 1 375.516 4.182 50 30 GIEAMO CCc1cccc2c1ncc(C#N)c2N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000032932692 570945746 /nfs/dbraw/zinc/94/57/46/570945746.db2.gz DHNNUAOOHGGWGX-UHFFFAOYSA-N 1 1 395.510 4.253 50 30 GIEAMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000012974875 818198518 /nfs/dbraw/zinc/19/85/18/818198518.db2.gz YHZBKKYRILPZDX-HRAATJIYSA-N 1 1 396.537 4.069 50 30 GIEAMO N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000020446606 818621289 /nfs/dbraw/zinc/62/12/89/818621289.db2.gz GIBGMYRJTGMNAR-DHZHZOJOSA-N 1 1 388.446 4.178 50 30 GIEAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1Cc1ccccc1 ZINC000575317702 823953829 /nfs/dbraw/zinc/95/38/29/823953829.db2.gz XFCIIJWWJDNYEJ-QFIPXVFZSA-N 1 1 398.510 4.206 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000010036996 204329187 /nfs/dbraw/zinc/32/91/87/204329187.db2.gz GOXZLNRKQDELKF-IBGZPJMESA-N 1 1 383.517 4.231 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000010036996 204329191 /nfs/dbraw/zinc/32/91/91/204329191.db2.gz GOXZLNRKQDELKF-IBGZPJMESA-N 1 1 383.517 4.231 50 30 GIEAMO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000036391825 205016471 /nfs/dbraw/zinc/01/64/71/205016471.db2.gz NSTQSQCBZNTYLE-RTBURBONSA-N 1 1 391.515 4.016 50 30 GIEAMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C1(C#N)CCCCC1 ZINC000008324672 523818473 /nfs/dbraw/zinc/81/84/73/523818473.db2.gz JDWOKYSOTSEWBU-UHFFFAOYSA-N 1 1 396.560 4.161 50 30 GIEAMO C[N@@H+]1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@H](c2ccccc2)C1 ZINC000030029567 523866994 /nfs/dbraw/zinc/86/69/94/523866994.db2.gz PJYVVEJXVJTORP-BYUVYSIJSA-N 1 1 398.510 4.083 50 30 GIEAMO C[N@H+]1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@H](c2ccccc2)C1 ZINC000030029567 523866999 /nfs/dbraw/zinc/86/69/99/523866999.db2.gz PJYVVEJXVJTORP-BYUVYSIJSA-N 1 1 398.510 4.083 50 30 GIEAMO COc1ccccc1OCC[N@@H+](C)CCC[C@]1(C#N)CCOc2ccccc21 ZINC000005674879 524671056 /nfs/dbraw/zinc/67/10/56/524671056.db2.gz KZLUCCANDBUTHX-HSZRJFAPSA-N 1 1 380.488 4.030 50 30 GIEAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020992998 525829561 /nfs/dbraw/zinc/82/95/61/525829561.db2.gz LORHKBBSTWVTAB-MRXNPFEDSA-N 1 1 387.570 4.335 50 30 GIEAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020992998 525829575 /nfs/dbraw/zinc/82/95/75/525829575.db2.gz LORHKBBSTWVTAB-MRXNPFEDSA-N 1 1 387.570 4.335 50 30 GIEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)s1 ZINC000012094432 570235033 /nfs/dbraw/zinc/23/50/33/570235033.db2.gz WMUAWBJEBZXFJG-DEOSSOPVSA-N 1 1 397.584 4.078 50 30 GIEAMO Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=[NH+]/CCc2ccccc2)cc1 ZINC000026965131 570430561 /nfs/dbraw/zinc/43/05/61/570430561.db2.gz KLIIFZATWMMIGG-KOEQRZSOSA-N 1 1 382.467 4.408 50 30 GIEAMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000072285052 570474207 /nfs/dbraw/zinc/47/42/07/570474207.db2.gz HWRJZEPYRCFOLB-LJQANCHMSA-N 1 1 387.405 4.083 50 30 GIEAMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000003390784 570864310 /nfs/dbraw/zinc/86/43/10/570864310.db2.gz XIKYZTGDAQDTNU-OAQYLSRUSA-N 1 1 377.484 4.276 50 30 GIEAMO N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153766 570919814 /nfs/dbraw/zinc/91/98/14/570919814.db2.gz XDJMWIKWLUAXIR-UHFFFAOYSA-N 1 1 387.508 4.359 50 30 GIEAMO N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153766 570919817 /nfs/dbraw/zinc/91/98/17/570919817.db2.gz XDJMWIKWLUAXIR-UHFFFAOYSA-N 1 1 387.508 4.359 50 30 GIEAMO Cc1c([NH+]=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C ZINC000263592335 570935148 /nfs/dbraw/zinc/93/51/48/570935148.db2.gz ZDBHDXWPCYLXHP-BVNICVDASA-N 1 1 386.499 4.498 50 30 GIEAMO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000032931240 570945212 /nfs/dbraw/zinc/94/52/12/570945212.db2.gz LMRLEVMGMCWNEG-MOPGFXCFSA-N 1 1 377.513 4.066 50 30 GIEAMO N#Cc1nc(-c2ccccc2Cl)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061442 205139873 /nfs/dbraw/zinc/13/98/73/205139873.db2.gz ULDMFYHDLNWDFH-UHFFFAOYSA-N 1 1 378.863 4.189 50 30 GIEAMO N#Cc1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000058175521 205168029 /nfs/dbraw/zinc/16/80/29/205168029.db2.gz CJKOEZLHKVTYGK-FQEVSTJZSA-N 1 1 393.537 4.488 50 30 GIEAMO C=CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)cn1 ZINC000092003289 519277730 /nfs/dbraw/zinc/27/77/30/519277730.db2.gz NAELDGQXDKGMQY-HSZRJFAPSA-N 1 1 378.564 4.161 50 30 GIEAMO C=CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](CC)C3)cn1 ZINC000092003289 519277745 /nfs/dbraw/zinc/27/77/45/519277745.db2.gz NAELDGQXDKGMQY-HSZRJFAPSA-N 1 1 378.564 4.161 50 30 GIEAMO CC(=O)O[C@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243878 519758318 /nfs/dbraw/zinc/75/83/18/519758318.db2.gz HJMJDULWIZHBIX-DNQXCXABSA-N 1 1 376.500 4.177 50 30 GIEAMO CC(=O)O[C@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243878 519758320 /nfs/dbraw/zinc/75/83/20/519758320.db2.gz HJMJDULWIZHBIX-DNQXCXABSA-N 1 1 376.500 4.177 50 30 GIEAMO CC1(C)C=Cc2cc(C(=[NH2+])NOC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 ZINC000004362142 520252407 /nfs/dbraw/zinc/25/24/07/520252407.db2.gz XYVIOCKXWGYIKE-UHFFFAOYSA-N 1 1 390.361 4.367 50 30 GIEAMO CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100567780 523129383 /nfs/dbraw/zinc/12/93/83/523129383.db2.gz XHWQPGMAHKBRBX-VPSQOLIPSA-N 1 1 384.392 4.135 50 30 GIEAMO Cc1c2ccccc2oc1C(=O)ONC(=[NH2+])c1ccc(OC(F)(F)F)cc1 ZINC000004336073 525982054 /nfs/dbraw/zinc/98/20/54/525982054.db2.gz AIBMGMUOOSTIHB-UHFFFAOYSA-N 1 1 378.306 4.117 50 30 GIEAMO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[N@H+]2CCC[C@H](C)C2)c1=O ZINC000012100310 570608769 /nfs/dbraw/zinc/60/87/69/570608769.db2.gz ATAWGMXIVINNTN-AWEZNQCLSA-N 1 1 390.911 4.003 50 30 GIEAMO Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1C ZINC000022928319 570631900 /nfs/dbraw/zinc/63/19/00/570631900.db2.gz YIIQGQGVJVFUGR-UGKGYDQZSA-N 1 1 396.604 4.378 50 30 GIEAMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000004354120 570691597 /nfs/dbraw/zinc/69/15/97/570691597.db2.gz CLLJZLFGGPOBEC-QFIPXVFZSA-N 1 1 388.527 4.087 50 30 GIEAMO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000014855782 570920327 /nfs/dbraw/zinc/92/03/27/570920327.db2.gz JOCDTWNVNYVBHV-UHFFFAOYSA-N 1 1 385.467 4.304 50 30 GIEAMO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000014855782 570920329 /nfs/dbraw/zinc/92/03/29/570920329.db2.gz JOCDTWNVNYVBHV-UHFFFAOYSA-N 1 1 385.467 4.304 50 30 GIEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2cc3c(c(OC)c2)OCO3)oc1C ZINC000011944672 818131351 /nfs/dbraw/zinc/13/13/51/818131351.db2.gz MXOBUWXVQOSKFE-RHSMWYFYSA-N 1 1 382.460 4.482 50 30 GIEAMO C=C(Cl)COc1nc2cc(SC)ccc2cc1C[NH2+]Cc1cnn(C)c1 ZINC000012242666 818148294 /nfs/dbraw/zinc/14/82/94/818148294.db2.gz ZLLKBYVLKCUQDV-UHFFFAOYSA-N 1 1 388.924 4.111 50 30 GIEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000005112597 204112742 /nfs/dbraw/zinc/11/27/42/204112742.db2.gz CMLLZWHOHZSMIF-UHFFFAOYSA-N 1 1 388.048 4.233 50 30 GIEAMO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000008671405 204283900 /nfs/dbraw/zinc/28/39/00/204283900.db2.gz MCCIJRBAHQDPJL-IBGZPJMESA-N 1 1 375.582 4.104 50 30 GIEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000019771409 518375917 /nfs/dbraw/zinc/37/59/17/518375917.db2.gz KVDVAWBLDPOQCG-LGUFXXKBSA-N 1 1 385.511 4.417 50 30 GIEAMO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])c2cccc(Br)c2)cc1 ZINC000004832366 519023389 /nfs/dbraw/zinc/02/33/89/519023389.db2.gz JFCCWLQTBFAYJX-UHFFFAOYSA-N 1 1 375.266 4.224 50 30 GIEAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000055133677 520458640 /nfs/dbraw/zinc/45/86/40/520458640.db2.gz JXEXVGDPLCUJIN-UHFFFAOYSA-N 1 1 391.511 4.153 50 30 GIEAMO C[NH+]1CCN(CCC[C@]2(C#N)c3ccccc3CSc3ccccc32)CC1 ZINC000019368861 523899530 /nfs/dbraw/zinc/89/95/30/523899530.db2.gz CDORIGHJSQCZRG-QHCPKHFHSA-N 1 1 377.557 4.130 50 30 GIEAMO Cc1ccccc1C[NH+]1CCN(/C=C/C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000020028619 525141582 /nfs/dbraw/zinc/14/15/82/525141582.db2.gz LQKCWXNGLPIMMS-MDZDMXLPSA-N 1 1 386.442 4.111 50 30 GIEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554347 570857459 /nfs/dbraw/zinc/85/74/59/570857459.db2.gz JOSWMKPOULRTQU-GOSISDBHSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554347 570857461 /nfs/dbraw/zinc/85/74/61/570857461.db2.gz JOSWMKPOULRTQU-GOSISDBHSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012564778 570869667 /nfs/dbraw/zinc/86/96/67/570869667.db2.gz XLZKUVNDXAIVHI-SFHVURJKSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012564778 570869669 /nfs/dbraw/zinc/86/96/69/570869669.db2.gz XLZKUVNDXAIVHI-SFHVURJKSA-N 1 1 376.504 4.008 50 30 GIEAMO CC(C)/[NH+]=C(/c1cccs1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000104136189 570896111 /nfs/dbraw/zinc/89/61/11/570896111.db2.gz JHJKMIPJJIPCAO-QOCHGBHMSA-N 1 1 389.952 4.405 50 30 GIEAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1Cc1ccccc1 ZINC000575317356 823954077 /nfs/dbraw/zinc/95/40/77/823954077.db2.gz GSJVXQFUPDIPQJ-JOCHJYFZSA-N 1 1 398.510 4.206 50 30 GIEAMO [NH2+]=C(NOC(=O)C=Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000004390582 204043151 /nfs/dbraw/zinc/04/31/51/204043151.db2.gz HLVOGZQMWMQXQR-XCVCLJGOSA-N 1 1 384.741 4.116 50 30 GIEAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000036396316 205015708 /nfs/dbraw/zinc/01/57/08/205015708.db2.gz FMNQGRWINUEGBF-IBGZPJMESA-N 1 1 375.516 4.039 50 30 GIEAMO N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061438 205139545 /nfs/dbraw/zinc/13/95/45/205139545.db2.gz OOGUYLCOLKEMCK-UHFFFAOYSA-N 1 1 378.863 4.189 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]21 ZINC000225466367 206049205 /nfs/dbraw/zinc/04/92/05/206049205.db2.gz DMEYGMPQWUWJKV-XGWLTEMNSA-N 1 1 393.890 4.086 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]21 ZINC000225466367 206049213 /nfs/dbraw/zinc/04/92/13/206049213.db2.gz DMEYGMPQWUWJKV-XGWLTEMNSA-N 1 1 393.890 4.086 50 30 GIEAMO C=CCOc1ccccc1OCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013720993 519073261 /nfs/dbraw/zinc/07/32/61/519073261.db2.gz WYQNGWOUCMPNHU-UHFFFAOYSA-N 1 1 395.528 4.062 50 30 GIEAMO C=CCc1ccc(OCCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020482139 519136232 /nfs/dbraw/zinc/13/62/32/519136232.db2.gz AZNUGNMQZYJDID-UHFFFAOYSA-N 1 1 380.532 4.010 50 30 GIEAMO COc1cc2c(cc1OC)CN(/C=[NH+]/c1sc3c(c1C#N)CCCC3)CC2 ZINC000100569260 523025227 /nfs/dbraw/zinc/02/52/27/523025227.db2.gz NUYPDAOGXMTYSE-YDZHTSKRSA-N 1 1 381.501 4.234 50 30 GIEAMO COc1ccc(CC[C@](C)(O)C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236061 523983816 /nfs/dbraw/zinc/98/38/16/523983816.db2.gz IRUDFFVUOWSUDD-DNQXCXABSA-N 1 1 378.516 4.004 50 30 GIEAMO COc1ccc(CC[C@](C)(O)C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236061 523983820 /nfs/dbraw/zinc/98/38/20/523983820.db2.gz IRUDFFVUOWSUDD-DNQXCXABSA-N 1 1 378.516 4.004 50 30 GIEAMO CCc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000029939459 524051490 /nfs/dbraw/zinc/05/14/90/524051490.db2.gz ZSNQPQCGHNBTOG-NRFANRHFSA-N 1 1 381.545 4.332 50 30 GIEAMO Cc1cc(=N)n(C(=NC2CC(C)(C)[NH2+]C(C)(C)C2)Nc2ccc(C)cc2)s1 ZINC000020357389 526098445 /nfs/dbraw/zinc/09/84/45/526098445.db2.gz XXFVEEHCOBUGIQ-UHFFFAOYSA-N 1 1 385.581 4.271 50 30 GIEAMO C=CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169678950 570599826 /nfs/dbraw/zinc/59/98/26/570599826.db2.gz PIXQWJWTGYJLKI-GMAHTHKFSA-N 1 1 394.515 4.018 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]12 ZINC000252527840 570988490 /nfs/dbraw/zinc/98/84/90/570988490.db2.gz DMEYGMPQWUWJKV-ISTRZQFTSA-N 1 1 393.890 4.086 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]12 ZINC000252527840 570988493 /nfs/dbraw/zinc/98/84/93/570988493.db2.gz DMEYGMPQWUWJKV-ISTRZQFTSA-N 1 1 393.890 4.086 50 30 GIEAMO C(=Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cccc2ccccc12 ZINC000252597960 571004143 /nfs/dbraw/zinc/00/41/43/571004143.db2.gz CWQYUXHFPANAKY-UHFFFAOYSA-N 1 1 384.483 4.272 50 30 GIEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000252606858 571006944 /nfs/dbraw/zinc/00/69/44/571006944.db2.gz GWLWQRRMIMIZSS-JMJIWTKESA-N 1 1 380.488 4.134 50 30 GIEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000004631027 571042348 /nfs/dbraw/zinc/04/23/48/571042348.db2.gz GWLWQRRMIMIZSS-MTDBSEBISA-N 1 1 380.488 4.134 50 30 GIEAMO COc1cc2c(cc1OC)C(Nc1ccc(Br)cc1)=[NH+]C(C)(C)C2 ZINC000001438453 571043454 /nfs/dbraw/zinc/04/34/54/571043454.db2.gz OZUMDPSJSVFOBG-UHFFFAOYSA-N 1 1 389.293 4.469 50 30 GIEAMO C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012430567 818158613 /nfs/dbraw/zinc/15/86/13/818158613.db2.gz WALNIKVBKIKKSE-SSPYTLHUSA-N 1 1 390.914 4.259 50 30 GIEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000019790535 818604964 /nfs/dbraw/zinc/60/49/64/818604964.db2.gz UYQWKMGQNAOQLV-UHFFFAOYSA-N 1 1 385.511 4.417 50 30 GIEAMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C#N ZINC000095993106 206299755 /nfs/dbraw/zinc/29/97/55/206299755.db2.gz JZQUPKWMSJTKFH-GOSISDBHSA-N 1 1 379.508 4.112 50 30 GIEAMO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1C#N ZINC000095993106 206299759 /nfs/dbraw/zinc/29/97/59/206299759.db2.gz JZQUPKWMSJTKFH-GOSISDBHSA-N 1 1 379.508 4.112 50 30 GIEAMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1C#N ZINC000095993106 206299763 /nfs/dbraw/zinc/29/97/63/206299763.db2.gz JZQUPKWMSJTKFH-GOSISDBHSA-N 1 1 379.508 4.112 50 30 GIEAMO N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096346447 208309591 /nfs/dbraw/zinc/30/95/91/208309591.db2.gz UZYYCMIAZOEUJL-NHCUHLMSSA-N 1 1 384.483 4.140 50 30 GIEAMO CC[C@H](Oc1ccccc1)C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004986231 522889617 /nfs/dbraw/zinc/88/96/17/522889617.db2.gz VRPPBCLHGKQACG-INIZCTEOSA-N 1 1 381.259 4.209 50 30 GIEAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1)NC1CC1 ZINC000011957456 570234399 /nfs/dbraw/zinc/23/43/99/570234399.db2.gz HLAXWOALHPNKRH-JOCHJYFZSA-N 1 1 386.539 4.357 50 30 GIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147079 570548973 /nfs/dbraw/zinc/54/89/73/570548973.db2.gz LTYVRHMSOYMCLR-VXKWHMMOSA-N 1 1 382.479 4.148 50 30 GIEAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022928333 570631974 /nfs/dbraw/zinc/63/19/74/570631974.db2.gz UIIRGULKCJQLCM-RXVVDRJESA-N 1 1 382.577 4.070 50 30 GIEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000007607453 570998452 /nfs/dbraw/zinc/99/84/52/570998452.db2.gz HTOCIVCNPWYJSK-RBUKOAKNSA-N 1 1 394.519 4.069 50 30 GIEAMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000013060627 818201979 /nfs/dbraw/zinc/20/19/79/818201979.db2.gz QLYGTFLHLWERNF-UHFFFAOYSA-N 1 1 397.544 4.358 50 30 GIEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)n1C ZINC000020149437 818615354 /nfs/dbraw/zinc/61/53/54/818615354.db2.gz DKFMVZBAWQICFH-CYBMUJFWSA-N 1 1 380.920 4.265 50 30 GIEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)n1C ZINC000020149437 818615358 /nfs/dbraw/zinc/61/53/58/818615358.db2.gz DKFMVZBAWQICFH-CYBMUJFWSA-N 1 1 380.920 4.265 50 30 GIEAMO C[N@H+]1CCc2nc(SCc3cccnc3)c(C#N)c(-c3cccs3)c2C1 ZINC000020230564 207184803 /nfs/dbraw/zinc/18/48/03/207184803.db2.gz YLGVIZOIJISDDP-UHFFFAOYSA-N 1 1 378.526 4.357 50 30 GIEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012302810 207287770 /nfs/dbraw/zinc/28/77/70/207287770.db2.gz RMNVVGJGGQEZKT-CRAIPNDOSA-N 1 1 383.492 4.198 50 30 GIEAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3C#N)CC2)C1 ZINC000096132775 208268969 /nfs/dbraw/zinc/26/89/69/208268969.db2.gz DQJNVWRYMSQKRE-QFIPXVFZSA-N 1 1 387.527 4.290 50 30 GIEAMO Cc1ccc2nc([C@H]([NH2+]C3CCN(c4cc(C#N)ccn4)CC3)C(C)C)[nH]c2c1 ZINC000095520538 136181240 /nfs/dbraw/zinc/18/12/40/136181240.db2.gz DDZSARQFDHRSFK-JOCHJYFZSA-N 1 1 388.519 4.094 50 30 GIEAMO CCOc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013711842 520858259 /nfs/dbraw/zinc/85/82/59/520858259.db2.gz BVJDPRDDUBDGGN-ISWCOFGISA-N 1 1 377.488 4.242 50 30 GIEAMO CCOc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013711842 520858266 /nfs/dbraw/zinc/85/82/66/520858266.db2.gz BVJDPRDDUBDGGN-ISWCOFGISA-N 1 1 377.488 4.242 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000046088331 521027333 /nfs/dbraw/zinc/02/73/33/521027333.db2.gz DXGGTAMSYRWNJJ-FQEVSTJZSA-N 1 1 383.517 4.231 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000046088331 521027337 /nfs/dbraw/zinc/02/73/37/521027337.db2.gz DXGGTAMSYRWNJJ-FQEVSTJZSA-N 1 1 383.517 4.231 50 30 GIEAMO Cc1cccc(C[NH+]2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)c1 ZINC000020028627 524397805 /nfs/dbraw/zinc/39/78/05/524397805.db2.gz SBMZWWZNIORPTG-CMDGGOBGSA-N 1 1 386.442 4.111 50 30 GIEAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1)c1ccco1 ZINC000014971957 526514773 /nfs/dbraw/zinc/51/47/73/526514773.db2.gz JJPZNXCKGAYQCE-QFIPXVFZSA-N 1 1 398.506 4.321 50 30 GIEAMO C=CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793260 570238488 /nfs/dbraw/zinc/23/84/88/570238488.db2.gz CEZYOAQGIGEFRP-OAQYLSRUSA-N 1 1 392.499 4.204 50 30 GIEAMO C=CCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793260 570238490 /nfs/dbraw/zinc/23/84/90/570238490.db2.gz CEZYOAQGIGEFRP-OAQYLSRUSA-N 1 1 392.499 4.204 50 30 GIEAMO C[C@@H]1C[C@H]2[C@H](C[N@H+]3CC[C@@H](C)CC(C)(C)C3)C(=O)O[C@@H]2[C@@H]2[C@@H]3O[C@]3(C)CC[C@@H]12 ZINC000072324079 570320943 /nfs/dbraw/zinc/32/09/43/570320943.db2.gz CYCHSGXOIJOGQH-QFVXHACGSA-N 1 1 389.580 4.126 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccc(Br)c3)CC2)c(C)c1 ZINC000244748755 570433467 /nfs/dbraw/zinc/43/34/67/570433467.db2.gz ONUQMGYSJRPUOY-UHFFFAOYSA-N 1 1 386.337 4.218 50 30 GIEAMO C=CC[C@@H]1C=CC[C@H](CC=C)[N@@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000169682777 570784526 /nfs/dbraw/zinc/78/45/26/570784526.db2.gz SBHWYMPHTLLVGA-FRRDWIJNSA-N 1 1 375.328 4.332 50 30 GIEAMO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000036722743 570805577 /nfs/dbraw/zinc/80/55/77/570805577.db2.gz FBMJXYGTVZQPEF-MRXNPFEDSA-N 1 1 395.457 4.182 50 30 GIEAMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000158995530 570845738 /nfs/dbraw/zinc/84/57/38/570845738.db2.gz DRCKEMMRLPZHKX-UHFFFAOYSA-N 1 1 389.459 4.410 50 30 GIEAMO Cc1nnc([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000170607518 570864716 /nfs/dbraw/zinc/86/47/16/570864716.db2.gz URUUIFFFWUZJJM-FQEVSTJZSA-N 1 1 385.515 4.193 50 30 GIEAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000170607518 570864718 /nfs/dbraw/zinc/86/47/18/570864718.db2.gz URUUIFFFWUZJJM-FQEVSTJZSA-N 1 1 385.515 4.193 50 30 GIEAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000170607518 570864719 /nfs/dbraw/zinc/86/47/19/570864719.db2.gz URUUIFFFWUZJJM-FQEVSTJZSA-N 1 1 385.515 4.193 50 30 GIEAMO Cc1nc([C@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n[nH]1 ZINC000170607518 570864722 /nfs/dbraw/zinc/86/47/22/570864722.db2.gz URUUIFFFWUZJJM-FQEVSTJZSA-N 1 1 385.515 4.193 50 30 GIEAMO Cc1nc([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n[nH]1 ZINC000170607518 570864725 /nfs/dbraw/zinc/86/47/25/570864725.db2.gz URUUIFFFWUZJJM-FQEVSTJZSA-N 1 1 385.515 4.193 50 30 GIEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)n1C ZINC000020149438 818615250 /nfs/dbraw/zinc/61/52/50/818615250.db2.gz DKFMVZBAWQICFH-ZDUSSCGKSA-N 1 1 380.920 4.265 50 30 GIEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)n1C ZINC000020149438 818615253 /nfs/dbraw/zinc/61/52/53/818615253.db2.gz DKFMVZBAWQICFH-ZDUSSCGKSA-N 1 1 380.920 4.265 50 30 GIEAMO N#Cc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000023308633 207272029 /nfs/dbraw/zinc/27/20/29/207272029.db2.gz OAIGUSVDULFRHS-UHFFFAOYSA-N 1 1 381.479 4.106 50 30 GIEAMO CC(=O)O[C@@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243883 519757749 /nfs/dbraw/zinc/75/77/49/519757749.db2.gz HJMJDULWIZHBIX-RPWUZVMVSA-N 1 1 376.500 4.177 50 30 GIEAMO CC(=O)O[C@@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243883 519757751 /nfs/dbraw/zinc/75/77/51/519757751.db2.gz HJMJDULWIZHBIX-RPWUZVMVSA-N 1 1 376.500 4.177 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)cc1 ZINC000020028628 524453974 /nfs/dbraw/zinc/45/39/74/524453974.db2.gz KTTNMWGHZKLLIN-MDZDMXLPSA-N 1 1 386.442 4.111 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3Br)CC2)c(C)c1 ZINC000019791188 524454545 /nfs/dbraw/zinc/45/45/45/524454545.db2.gz KVAKOWLLYFGQFQ-HYARGMPZSA-N 1 1 386.337 4.218 50 30 GIEAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020993001 525830686 /nfs/dbraw/zinc/83/06/86/525830686.db2.gz LORHKBBSTWVTAB-INIZCTEOSA-N 1 1 387.570 4.335 50 30 GIEAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020993001 525830690 /nfs/dbraw/zinc/83/06/90/525830690.db2.gz LORHKBBSTWVTAB-INIZCTEOSA-N 1 1 387.570 4.335 50 30 GIEAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120564 526235266 /nfs/dbraw/zinc/23/52/66/526235266.db2.gz HNTMDFGVEKVKSK-JTQLQIEISA-N 1 1 393.274 4.272 50 30 GIEAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120564 526235272 /nfs/dbraw/zinc/23/52/72/526235272.db2.gz HNTMDFGVEKVKSK-JTQLQIEISA-N 1 1 393.274 4.272 50 30 GIEAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1)c1ccco1 ZINC000014971961 526595544 /nfs/dbraw/zinc/59/55/44/526595544.db2.gz JJPZNXCKGAYQCE-JOCHJYFZSA-N 1 1 398.506 4.321 50 30 GIEAMO Cc1cccc(C[NH+]2CCN(/C=C/C(=O)c3ccc(OC(F)F)cc3)CC2)c1 ZINC000033797183 570419388 /nfs/dbraw/zinc/41/93/88/570419388.db2.gz QZFGGNQZKZAARL-MDZDMXLPSA-N 1 1 386.442 4.111 50 30 GIEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000011006769 570425600 /nfs/dbraw/zinc/42/56/00/570425600.db2.gz PPKJUQHRJVOITP-UHFFFAOYSA-N 1 1 384.483 4.451 50 30 GIEAMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000037212938 570848324 /nfs/dbraw/zinc/84/83/24/570848324.db2.gz YHZBKKYRILPZDX-KKSFZXQISA-N 1 1 396.537 4.069 50 30 GIEAMO C=CCn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)cn1 ZINC000092003291 519277585 /nfs/dbraw/zinc/27/75/85/519277585.db2.gz NAELDGQXDKGMQY-QHCPKHFHSA-N 1 1 378.564 4.161 50 30 GIEAMO C=CCn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](CC)C3)cn1 ZINC000092003291 519277598 /nfs/dbraw/zinc/27/75/98/519277598.db2.gz NAELDGQXDKGMQY-QHCPKHFHSA-N 1 1 378.564 4.161 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046088329 521028083 /nfs/dbraw/zinc/02/80/83/521028083.db2.gz DXGGTAMSYRWNJJ-HXUWFJFHSA-N 1 1 383.517 4.231 50 30 GIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046088329 521028090 /nfs/dbraw/zinc/02/80/90/521028090.db2.gz DXGGTAMSYRWNJJ-HXUWFJFHSA-N 1 1 383.517 4.231 50 30 GIEAMO Cc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1C ZINC000004603722 525397781 /nfs/dbraw/zinc/39/77/81/525397781.db2.gz GLUDJYLBXXXFSA-UHFFFAOYSA-N 1 1 381.259 4.047 50 30 GIEAMO C=CCc1cc(OC)ccc1OCCOCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008744414 527245245 /nfs/dbraw/zinc/24/52/45/527245245.db2.gz ABUQETYFLPMPLJ-HSZRJFAPSA-N 1 1 396.531 4.441 50 30 GIEAMO C=CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793263 570238481 /nfs/dbraw/zinc/23/84/81/570238481.db2.gz CEZYOAQGIGEFRP-NRFANRHFSA-N 1 1 392.499 4.204 50 30 GIEAMO C=CCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793263 570238483 /nfs/dbraw/zinc/23/84/83/570238483.db2.gz CEZYOAQGIGEFRP-NRFANRHFSA-N 1 1 392.499 4.204 50 30 GIEAMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)NC2(C#N)CCCC2)s1 ZINC000029190555 570469952 /nfs/dbraw/zinc/46/99/52/570469952.db2.gz PFXXTSQZRRGXOC-UHFFFAOYSA-N 1 1 381.545 4.054 50 30 GIEAMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713384 570478515 /nfs/dbraw/zinc/47/85/15/570478515.db2.gz FHYSSCOTHPGCTN-CZUORRHYSA-N 1 1 392.409 4.195 50 30 GIEAMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713384 570478528 /nfs/dbraw/zinc/47/85/28/570478528.db2.gz FHYSSCOTHPGCTN-CZUORRHYSA-N 1 1 392.409 4.195 50 30 GIEAMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000072308331 570527592 /nfs/dbraw/zinc/52/75/92/570527592.db2.gz IXDASDHJUKPHHY-UHFFFAOYSA-N 1 1 387.483 4.352 50 30 GIEAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000036396315 570679955 /nfs/dbraw/zinc/67/99/55/570679955.db2.gz FMNQGRWINUEGBF-LJQANCHMSA-N 1 1 375.516 4.039 50 30 GIEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+]4CC[C@@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027260 570907448 /nfs/dbraw/zinc/90/74/48/570907448.db2.gz ZKHQMBPYBVPJKV-AJLIQWHYSA-N 1 1 385.548 4.158 50 30 GIEAMO CCOc1ccc(/N=C2\c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000004144914 570964342 /nfs/dbraw/zinc/96/43/42/570964342.db2.gz BVJDPRDDUBDGGN-LKWUNZDJSA-N 1 1 377.488 4.242 50 30 GIEAMO CCOc1ccc(/N=C2\c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000004144914 570964346 /nfs/dbraw/zinc/96/43/46/570964346.db2.gz BVJDPRDDUBDGGN-LKWUNZDJSA-N 1 1 377.488 4.242 50 30 GIEAMO CCOc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000002246852 817380812 /nfs/dbraw/zinc/38/08/12/817380812.db2.gz BVJDPRDDUBDGGN-KAMJJXHCSA-N 1 1 377.488 4.242 50 30 GIEAMO CCOc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000002246852 817380822 /nfs/dbraw/zinc/38/08/22/817380822.db2.gz BVJDPRDDUBDGGN-KAMJJXHCSA-N 1 1 377.488 4.242 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)[C@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000027430554 820243338 /nfs/dbraw/zinc/24/33/38/820243338.db2.gz RNTVEMBMXUXGLJ-ZSICCKHFSA-N 1 1 397.559 4.355 50 30 GIEAMO CCOc1ccccc1-c1c(C#N)c(N)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000018241852 207096557 /nfs/dbraw/zinc/09/65/57/207096557.db2.gz PZRFJANLYZQTSB-UHFFFAOYSA-N 1 1 384.483 4.159 50 30 GIEAMO CCOc1ccccc1-c1c(C#N)c(N)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000018241852 207096560 /nfs/dbraw/zinc/09/65/60/207096560.db2.gz PZRFJANLYZQTSB-UHFFFAOYSA-N 1 1 384.483 4.159 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Br)cc3)CC2)c(C)c1 ZINC000019791077 524452968 /nfs/dbraw/zinc/45/29/68/524452968.db2.gz HUXDQFHSQFVBCO-HYARGMPZSA-N 1 1 386.337 4.218 50 30 GIEAMO CCOC(=O)c1c2c(C#N)c(C[NH+]3CCCCC3)cn2c2ccccc2c1C ZINC000048229462 570223432 /nfs/dbraw/zinc/22/34/32/570223432.db2.gz OHUBRHFFXUDBME-UHFFFAOYSA-N 1 1 375.472 4.435 50 30 GIEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)cc1 ZINC000011843179 570234479 /nfs/dbraw/zinc/23/44/79/570234479.db2.gz AYHVXDMDWRTPKQ-AREMUKBSSA-N 1 1 391.555 4.016 50 30 GIEAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012300172 570236385 /nfs/dbraw/zinc/23/63/85/570236385.db2.gz BYNOROIOACOKMF-OAQYLSRUSA-N 1 1 381.903 4.169 50 30 GIEAMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983303 570911685 /nfs/dbraw/zinc/91/16/85/570911685.db2.gz VPBYIJZOTVZTTE-FGZHOGPDSA-N 1 1 382.479 4.148 50 30 GIEAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000032930271 570942735 /nfs/dbraw/zinc/94/27/35/570942735.db2.gz 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C=C[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 ZINC000004016328 206227682 /nfs/dbraw/zinc/22/76/82/206227682.db2.gz QANGUEGDIZBQNM-FJIJVGMHSA-N 1 1 385.531 4.105 50 30 GIEAMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 ZINC000079058904 208070542 /nfs/dbraw/zinc/07/05/42/208070542.db2.gz ZDRMGKXVLJDKIY-UHFFFAOYSA-N 1 1 382.533 4.134 50 30 GIEAMO CC(C)[C@@H](C)[N@H+]1Cc2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 ZINC000095397381 208180094 /nfs/dbraw/zinc/18/00/94/208180094.db2.gz GXGVWCWQSUDXJM-UZUQRXQVSA-N 1 1 388.515 4.136 50 30 GIEAMO C=CC[N@@H+](Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1)Cc1ccccn1 ZINC000023191989 518784104 /nfs/dbraw/zinc/78/41/04/518784104.db2.gz JWKLQHOARKHKDP-UHFFFAOYSA-N 1 1 382.414 4.370 50 30 GIEAMO C=CC[N@H+](Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1)Cc1ccccn1 ZINC000023191989 518784114 /nfs/dbraw/zinc/78/41/14/518784114.db2.gz JWKLQHOARKHKDP-UHFFFAOYSA-N 1 1 382.414 4.370 50 30 GIEAMO C=CCc1ccc(OCCCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020500027 519135740 /nfs/dbraw/zinc/13/57/40/519135740.db2.gz IOOCSBTXYZKUGK-UHFFFAOYSA-N 1 1 394.559 4.401 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 ZINC000019800696 524453914 /nfs/dbraw/zinc/45/39/14/524453914.db2.gz NKLSKSQTTKYZOK-LPYMAVHISA-N 1 1 386.883 4.017 50 30 GIEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1F ZINC000048289781 570228894 /nfs/dbraw/zinc/22/88/94/570228894.db2.gz RDCNHPUBJUHKEV-FQEVSTJZSA-N 1 1 379.479 4.170 50 30 GIEAMO Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCC2)[C@H]2CCc3ccccc32)cc1 ZINC000048303384 570231773 /nfs/dbraw/zinc/23/17/73/570231773.db2.gz MOWGJVUHPHOSGM-QHCPKHFHSA-N 1 1 387.527 4.437 50 30 GIEAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000005096600 570416862 /nfs/dbraw/zinc/41/68/62/570416862.db2.gz SJXIBSDTWXHWRH-QFIPXVFZSA-N 1 1 397.519 4.182 50 30 GIEAMO [NH2+]=C(NOC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000005059762 570427268 /nfs/dbraw/zinc/42/72/68/570427268.db2.gz VSYULGLPQZBGOJ-UHFFFAOYSA-N 1 1 388.048 4.233 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 ZINC000002705086 570488373 /nfs/dbraw/zinc/48/83/73/570488373.db2.gz NKLSKSQTTKYZOK-UHFFFAOYSA-N 1 1 386.883 4.017 50 30 GIEAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 ZINC000006608959 570499668 /nfs/dbraw/zinc/49/96/68/570499668.db2.gz LPZCIABZUNQPNJ-SFHVURJKSA-N 1 1 391.496 4.335 50 30 GIEAMO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022928329 570631843 /nfs/dbraw/zinc/63/18/43/570631843.db2.gz UIIRGULKCJQLCM-NQIIRXRSSA-N 1 1 382.577 4.070 50 30 GIEAMO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000036391826 570675661 /nfs/dbraw/zinc/67/56/61/570675661.db2.gz NSTQSQCBZNTYLE-RBUKOAKNSA-N 1 1 391.515 4.016 50 30 GIEAMO N#CCc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000016607483 570928862 /nfs/dbraw/zinc/92/88/62/570928862.db2.gz CNOJPVPYIQBFAF-UHFFFAOYSA-N 1 1 385.870 4.396 50 30 GIEAMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000107088635 570970787 /nfs/dbraw/zinc/97/07/87/570970787.db2.gz FHYSSCOTHPGCTN-CJNGLKHVSA-N 1 1 392.409 4.195 50 30 GIEAMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000107088635 570970791 /nfs/dbraw/zinc/97/07/91/570970791.db2.gz FHYSSCOTHPGCTN-CJNGLKHVSA-N 1 1 392.409 4.195 50 30 GIEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000109033898 570995246 /nfs/dbraw/zinc/99/52/46/570995246.db2.gz YCUQYENCZVDZRV-OALUTQOASA-N 1 1 391.515 4.016 50 30 GIEAMO C[N@H+]1CCC[C@@H]1CCn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)cc1 ZINC000065409568 571000692 /nfs/dbraw/zinc/00/06/92/571000692.db2.gz VBBSGLMEPPGVQR-HSZRJFAPSA-N 1 1 385.511 4.045 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000004029600 817497411 /nfs/dbraw/zinc/49/74/11/817497411.db2.gz RNTVEMBMXUXGLJ-FNFUBSOHSA-N 1 1 397.559 4.355 50 30 GIEAMO N#Cc1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000057449364 823298565 /nfs/dbraw/zinc/29/85/65/823298565.db2.gz XSWWRHBLFCGDGW-UHFFFAOYSA-N 1 1 387.508 4.426 50 30 GIEAMO OCCC#Cc1ccc(C[N@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012577840 818167689 /nfs/dbraw/zinc/16/76/89/818167689.db2.gz RYNYDUFFGWTVFD-AREMUKBSSA-N 1 1 391.555 4.018 50 30 GIEAMO CCOc1ccc(-c2c(C#N)c(N)nc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000018222908 207096318 /nfs/dbraw/zinc/09/63/18/207096318.db2.gz DGFNINKVQYPVOP-UHFFFAOYSA-N 1 1 384.483 4.159 50 30 GIEAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3C#N)CC2)C1 ZINC000096132774 208267825 /nfs/dbraw/zinc/26/78/25/208267825.db2.gz DQJNVWRYMSQKRE-JOCHJYFZSA-N 1 1 387.527 4.290 50 30 GIEAMO Cc1cccc(C(=[NH2+])NOC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000004834149 524151050 /nfs/dbraw/zinc/15/10/50/524151050.db2.gz MLEOSUMYFIUZHX-UHFFFAOYSA-N 1 1 381.259 4.325 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Br)c3)CC2)c(C)c1 ZINC000019791151 524454533 /nfs/dbraw/zinc/45/45/33/524454533.db2.gz ONUQMGYSJRPUOY-HYARGMPZSA-N 1 1 386.337 4.218 50 30 GIEAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000014969828 525829862 /nfs/dbraw/zinc/82/98/62/525829862.db2.gz JPLCSPWCKWVUMP-HXUWFJFHSA-N 1 1 381.541 4.274 50 30 GIEAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)ONC(=[NH2+])c1ccc(C(C)(C)C)cc1 ZINC000004390268 527539012 /nfs/dbraw/zinc/53/90/12/527539012.db2.gz JYSVZNQXRXWPIQ-UHFFFAOYSA-N 1 1 390.487 4.264 50 30 GIEAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1)NC1CC1 ZINC000011957450 570234580 /nfs/dbraw/zinc/23/45/80/570234580.db2.gz HLAXWOALHPNKRH-QFIPXVFZSA-N 1 1 386.539 4.357 50 30 GIEAMO CC(C)[C@H]1CN(C(=O)c2ccccc2C#N)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752888 570282845 /nfs/dbraw/zinc/28/28/45/570282845.db2.gz GHIBFOUPSSLUMO-JOCHJYFZSA-N 1 1 379.479 4.070 50 30 GIEAMO C[C@@H]1C[C@H]2[C@@H](C[N@H+]3CC[C@@H](C)CC(C)(C)C3)C(=O)O[C@@H]2[C@@H]2[C@@H]3O[C@]3(C)CC[C@@H]12 ZINC000072324078 570321028 /nfs/dbraw/zinc/32/10/28/570321028.db2.gz CYCHSGXOIJOGQH-FQIJVTTASA-N 1 1 389.580 4.126 50 30 GIEAMO C=CCC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147223 570549473 /nfs/dbraw/zinc/54/94/73/570549473.db2.gz VPBYIJZOTVZTTE-VXKWHMMOSA-N 1 1 382.479 4.148 50 30 GIEAMO C[C@@H]1C[C@H]2[C@@H](C[N@H+]3CC[C@@H](C)CC(C)(C)C3)C(=O)O[C@@H]2[C@H]2[C@@H]3O[C@]3(C)CC[C@@H]12 ZINC000036367405 570645879 /nfs/dbraw/zinc/64/58/79/570645879.db2.gz CYCHSGXOIJOGQH-FAQFYZMTSA-N 1 1 389.580 4.126 50 30 GIEAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000032930094 570943699 /nfs/dbraw/zinc/94/36/99/570943699.db2.gz DQENCBRUXLGERV-LJQANCHMSA-N 1 1 375.516 4.039 50 30 GIEAMO C=CC[N@H+](Cc1ccco1)Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1 ZINC000023478520 818944503 /nfs/dbraw/zinc/94/45/03/818944503.db2.gz GGMMXYGFFNTACF-NRFANRHFSA-N 1 1 391.471 4.070 50 30 GIEAMO C=CC[N@@H+](Cc1ccco1)Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1 ZINC000023478520 818944508 /nfs/dbraw/zinc/94/45/08/818944508.db2.gz GGMMXYGFFNTACF-NRFANRHFSA-N 1 1 391.471 4.070 50 30 GIEAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000040155723 821151946 /nfs/dbraw/zinc/15/19/46/821151946.db2.gz HWRSAFQHKLZDJP-CQSZACIVSA-N 1 1 379.426 4.183 50 30 GIEAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000040155723 821151952 /nfs/dbraw/zinc/15/19/52/821151952.db2.gz HWRSAFQHKLZDJP-CQSZACIVSA-N 1 1 379.426 4.183 50 30 GIEAMO N#Cc1ccccc1CN1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000575317335 823953791 /nfs/dbraw/zinc/95/37/91/823953791.db2.gz KZJHBLMVGXCTDA-XMMPIXPASA-N 1 1 393.575 4.336 50 30 GIEAMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000096794831 529826099 /nfs/dbraw/zinc/82/60/99/529826099.db2.gz XTWNZGUDNNGUJR-UHFFFAOYSA-N 1 1 375.394 4.084 50 30 GIEAMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000096794831 529826102 /nfs/dbraw/zinc/82/61/02/529826102.db2.gz XTWNZGUDNNGUJR-UHFFFAOYSA-N 1 1 375.394 4.084 50 30 GIEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554349 221206108 /nfs/dbraw/zinc/20/61/08/221206108.db2.gz JOSWMKPOULRTQU-SFHVURJKSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554349 221206110 /nfs/dbraw/zinc/20/61/10/221206110.db2.gz JOSWMKPOULRTQU-SFHVURJKSA-N 1 1 376.504 4.008 50 30 GIEAMO Cc1cc(Cl)ccc1/[NH+]=C/N(C)SN(C1CCCCC1)S(C)(=O)=O ZINC000071770454 524880159 /nfs/dbraw/zinc/88/01/59/524880159.db2.gz HVJOPBPUEOHNCD-LDADJPATSA-N 1 1 389.974 4.398 50 30 GIEAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120566 525918557 /nfs/dbraw/zinc/91/85/57/525918557.db2.gz HNTMDFGVEKVKSK-SNVBAGLBSA-N 1 1 393.274 4.272 50 30 GIEAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120566 525918566 /nfs/dbraw/zinc/91/85/66/525918566.db2.gz HNTMDFGVEKVKSK-SNVBAGLBSA-N 1 1 393.274 4.272 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(Br)s3)CC2)c(C)c1 ZINC000002705087 570215021 /nfs/dbraw/zinc/21/50/21/570215021.db2.gz RUMOQAVYOVHGJS-UHFFFAOYSA-N 1 1 392.366 4.279 50 30 GIEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)cc1 ZINC000011843178 570234210 /nfs/dbraw/zinc/23/42/10/570234210.db2.gz AYHVXDMDWRTPKQ-SANMLTNESA-N 1 1 391.555 4.016 50 30 GIEAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000023358922 570300190 /nfs/dbraw/zinc/30/01/90/570300190.db2.gz WSVZUBIIIRRQKF-NRFANRHFSA-N 1 1 396.600 4.009 50 30 GIEAMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000245264987 570435132 /nfs/dbraw/zinc/43/51/32/570435132.db2.gz FHYSSCOTHPGCTN-BBRMVZONSA-N 1 1 392.409 4.195 50 30 GIEAMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000245264987 570435137 /nfs/dbraw/zinc/43/51/37/570435137.db2.gz FHYSSCOTHPGCTN-BBRMVZONSA-N 1 1 392.409 4.195 50 30 GIEAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 ZINC000006608961 570499649 /nfs/dbraw/zinc/49/96/49/570499649.db2.gz LPZCIABZUNQPNJ-GOSISDBHSA-N 1 1 391.496 4.335 50 30 GIEAMO [NH3+]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043443458 570627570 /nfs/dbraw/zinc/62/75/70/570627570.db2.gz HZCZXRSVKNFILZ-UHFFFAOYSA-N 1 1 399.097 4.319 50 30 GIEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000012655366 570696039 /nfs/dbraw/zinc/69/60/39/570696039.db2.gz SFQZIEQANGDPIA-UHFFFAOYSA-N 1 1 388.048 4.233 50 30 GIEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012564776 570869766 /nfs/dbraw/zinc/86/97/66/570869766.db2.gz XLZKUVNDXAIVHI-GOSISDBHSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012564776 570869770 /nfs/dbraw/zinc/86/97/70/570869770.db2.gz XLZKUVNDXAIVHI-GOSISDBHSA-N 1 1 376.504 4.008 50 30 GIEAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907438 570907641 /nfs/dbraw/zinc/90/76/41/570907641.db2.gz RBKDCZWIOHKWML-ZIAGYGMSSA-N 1 1 396.516 4.099 50 30 GIEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000004135419 817506357 /nfs/dbraw/zinc/50/63/57/817506357.db2.gz KVDVAWBLDPOQCG-UHFFFAOYSA-N 1 1 385.511 4.417 50 30 GIEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006911084 817724224 /nfs/dbraw/zinc/72/42/24/817724224.db2.gz KHHVDJYLZNUDON-UHFFFAOYSA-N 1 1 378.394 4.341 50 30 GIEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006911084 817724230 /nfs/dbraw/zinc/72/42/30/817724230.db2.gz KHHVDJYLZNUDON-UHFFFAOYSA-N 1 1 378.394 4.341 50 30 GIEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@@H]1C)[N@H+](C)CC3)OCO2 ZINC000020112005 818614094 /nfs/dbraw/zinc/61/40/94/818614094.db2.gz FKYITSOBJSHMDA-ACBJADRSSA-N 1 1 397.515 4.461 50 30 GIEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@@H]1C)[N@@H+](C)CC3)OCO2 ZINC000020112005 818614097 /nfs/dbraw/zinc/61/40/97/818614097.db2.gz FKYITSOBJSHMDA-ACBJADRSSA-N 1 1 397.515 4.461 50 30 GIEAMO N#Cc1ccccc1CN1CCC([N@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000575317331 823953880 /nfs/dbraw/zinc/95/38/80/823953880.db2.gz KZJHBLMVGXCTDA-DEOSSOPVSA-N 1 1 393.575 4.336 50 30 GIEAMO C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CC[NH+](CC(=C)C)CC1 ZINC000005270025 209139750 /nfs/dbraw/zinc/13/97/50/209139750.db2.gz UQQXTCOZWWUIQM-UHFFFAOYSA-N 1 1 387.531 4.131 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000020190155 210323080 /nfs/dbraw/zinc/32/30/80/210323080.db2.gz SJYUNGYUAQQYNO-AFUMVMLFSA-N 1 1 375.438 4.474 50 30 GIEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000004364337 523372000 /nfs/dbraw/zinc/37/20/00/523372000.db2.gz KZMGCPISDHCDHC-UHFFFAOYSA-N 1 1 388.851 4.147 50 30 GIEAMO Cc1ccc(-c2n[nH]c3c2C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)CC3)cc1 ZINC000023153331 525791171 /nfs/dbraw/zinc/79/11/71/525791171.db2.gz ZXZDAMLPHMJJDN-UHFFFAOYSA-N 1 1 391.540 4.127 50 30 GIEAMO Cc1ccc(-c2n[nH]c3c2C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)CC3)cc1 ZINC000023153331 525791175 /nfs/dbraw/zinc/79/11/75/525791175.db2.gz ZXZDAMLPHMJJDN-UHFFFAOYSA-N 1 1 391.540 4.127 50 30 GIEAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)cc1 ZINC000012056740 525972428 /nfs/dbraw/zinc/97/24/28/525972428.db2.gz MIMTYIBBUXFDHG-QFIPXVFZSA-N 1 1 393.552 4.237 50 30 GIEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1F ZINC000048289783 570229010 /nfs/dbraw/zinc/22/90/10/570229010.db2.gz RDCNHPUBJUHKEV-HXUWFJFHSA-N 1 1 379.479 4.170 50 30 GIEAMO C[N@@H+](CC(=O)Nc1nnc(-c2ccccc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000027929467 570445278 /nfs/dbraw/zinc/44/52/78/570445278.db2.gz YKWSBYQPPZUTIO-UHFFFAOYSA-N 1 1 380.492 4.473 50 30 GIEAMO N#Cc1ccccc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025436780 570751636 /nfs/dbraw/zinc/75/16/36/570751636.db2.gz FCIZNUHUGQNFSR-UHFFFAOYSA-N 1 1 396.494 4.497 50 30 GIEAMO N#CCCN(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1F ZINC000007341689 570831901 /nfs/dbraw/zinc/83/19/01/570831901.db2.gz DBTYGLBLPCGCRX-UHFFFAOYSA-N 1 1 379.479 4.027 50 30 GIEAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907439 570907610 /nfs/dbraw/zinc/90/76/10/570907610.db2.gz RBKDCZWIOHKWML-OKILXGFUSA-N 1 1 396.516 4.099 50 30 GIEAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907439 570907613 /nfs/dbraw/zinc/90/76/13/570907613.db2.gz RBKDCZWIOHKWML-OKILXGFUSA-N 1 1 396.516 4.099 50 30 GIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 ZINC000004737192 570952282 /nfs/dbraw/zinc/95/22/82/570952282.db2.gz CKLAPKVEJOKEHE-LCKYSSFXSA-N 1 1 382.504 4.145 50 30 GIEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658141 818174857 /nfs/dbraw/zinc/17/48/57/818174857.db2.gz ZKHQMBPYBVPJKV-TVPMIYMNSA-N 1 1 385.548 4.158 50 30 GIEAMO Cc1ccccc1[C@](C#N)(CCC[NH+]1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC000048533979 822670412 /nfs/dbraw/zinc/67/04/12/822670412.db2.gz LRZQQOWORZDHFC-DEOSSOPVSA-N 1 1 393.531 4.244 50 30 GIEAMO Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000067842071 211025185 /nfs/dbraw/zinc/02/51/85/211025185.db2.gz UHCFPVXTBXGBFV-UHFFFAOYSA-N 1 1 384.483 4.010 50 30 GIEAMO N#Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021004256 210375420 /nfs/dbraw/zinc/37/54/20/210375420.db2.gz DCOMHHNCOZPKBT-UHFFFAOYSA-N 1 1 381.479 4.106 50 30 GIEAMO CC[NH+](CC)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(C)c1 ZINC000064838127 520913804 /nfs/dbraw/zinc/91/38/04/520913804.db2.gz CQSDMFGTMLJIGQ-UHFFFAOYSA-N 1 1 392.528 4.168 50 30 GIEAMO [NH2+]=C(NOC(=O)c1cccs1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000004344794 526811242 /nfs/dbraw/zinc/81/12/42/526811242.db2.gz FLNUGNHASGFTDK-UHFFFAOYSA-N 1 1 386.860 4.458 50 30 GIEAMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000015063151 570246185 /nfs/dbraw/zinc/24/61/85/570246185.db2.gz UAMLVUTYGZEOPA-QHCPKHFHSA-N 1 1 387.470 4.347 50 30 GIEAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000005096599 570415177 /nfs/dbraw/zinc/41/51/77/570415177.db2.gz SJXIBSDTWXHWRH-JOCHJYFZSA-N 1 1 397.519 4.182 50 30 GIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147082 570548848 /nfs/dbraw/zinc/54/88/48/570548848.db2.gz LTYVRHMSOYMCLR-YADHBBJMSA-N 1 1 382.479 4.148 50 30 GIEAMO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000036722741 570805562 /nfs/dbraw/zinc/80/55/62/570805562.db2.gz FBMJXYGTVZQPEF-INIZCTEOSA-N 1 1 395.457 4.182 50 30 GIEAMO C=CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000004753075 570964543 /nfs/dbraw/zinc/96/45/43/570964543.db2.gz HHQCDRDPPXRGAF-QHCPKHFHSA-N 1 1 378.491 4.267 50 30 GIEAMO N#Cc1c(NC(=O)c2cccs2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019942271 818608452 /nfs/dbraw/zinc/60/84/52/818608452.db2.gz CMFJOMYSSVWDEP-UHFFFAOYSA-N 1 1 379.510 4.492 50 30 GIEAMO N#Cc1c(NC(=O)c2cccs2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019942271 818608460 /nfs/dbraw/zinc/60/84/60/818608460.db2.gz CMFJOMYSSVWDEP-UHFFFAOYSA-N 1 1 379.510 4.492 50 30 GIEAMO C=CCNc1nc(N2CCCCC2)c(C#N)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000013116322 209164208 /nfs/dbraw/zinc/16/42/08/209164208.db2.gz FEPLCODWFOEWGR-UHFFFAOYSA-N 1 1 387.531 4.100 50 30 GIEAMO C=CCNc1nc(N2CCCCC2)c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000013116322 209164213 /nfs/dbraw/zinc/16/42/13/209164213.db2.gz FEPLCODWFOEWGR-UHFFFAOYSA-N 1 1 387.531 4.100 50 30 GIEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21 ZINC000003873878 209138209 /nfs/dbraw/zinc/13/82/09/209138209.db2.gz NSBRKSWSLRQPJW-WWLNLUSPSA-N 1 1 396.487 4.354 50 30 in-man GIEAMO N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096346448 211335984 /nfs/dbraw/zinc/33/59/84/211335984.db2.gz UZYYCMIAZOEUJL-RTWAWAEBSA-N 1 1 384.483 4.140 50 30 GIEAMO C=C(C)C[N@H+](CC)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000055119964 518600249 /nfs/dbraw/zinc/60/02/49/518600249.db2.gz GTPRKJKPIGHZTM-UHFFFAOYSA-N 1 1 376.504 4.005 50 30 GIEAMO C=C(C)Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2sccc21 ZINC000037526633 518638901 /nfs/dbraw/zinc/63/89/01/518638901.db2.gz ARUYOBNSHTYTKG-UHFFFAOYSA-N 1 1 379.529 4.237 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)c(C)c1 ZINC000019791121 524455041 /nfs/dbraw/zinc/45/50/41/524455041.db2.gz IQWVFGRXSAEHDJ-AFUMVMLFSA-N 1 1 375.438 4.474 50 30 GIEAMO CCOC(=O)C1(CCc2ccccc2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000012594174 570237476 /nfs/dbraw/zinc/23/74/76/570237476.db2.gz QNZASXBBNXPNDP-UHFFFAOYSA-N 1 1 375.512 4.316 50 30 GIEAMO COc1ccc(OC)c(-c2csc(NC(=O)C[NH+]3CCCCCC3)n2)c1 ZINC000049578555 570270090 /nfs/dbraw/zinc/27/00/90/570270090.db2.gz BXVRAICOSVFOKR-UHFFFAOYSA-N 1 1 375.494 4.291 50 30 GIEAMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121344458 570406617 /nfs/dbraw/zinc/40/66/17/570406617.db2.gz PUIJDYHDBRZJDC-UHFFFAOYSA-N 1 1 396.498 4.281 50 30 GIEAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121344458 570406619 /nfs/dbraw/zinc/40/66/19/570406619.db2.gz PUIJDYHDBRZJDC-UHFFFAOYSA-N 1 1 396.498 4.281 50 30 GIEAMO C[C@@H]1C[C@H]2[C@H](C[N@H+]3CC[C@@H](C)CC(C)(C)C3)C(=O)O[C@@H]2[C@H]2[C@@H]3O[C@]3(C)CC[C@@H]12 ZINC000005528088 570663801 /nfs/dbraw/zinc/66/38/01/570663801.db2.gz CYCHSGXOIJOGQH-FQGPBLOISA-N 1 1 389.580 4.126 50 30 GIEAMO C[N@H+]1CCC[C@H]1CCn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)cc1 ZINC000065409569 571000758 /nfs/dbraw/zinc/00/07/58/571000758.db2.gz VBBSGLMEPPGVQR-QHCPKHFHSA-N 1 1 385.511 4.045 50 30 GIEAMO N#Cc1nc(-c2cccc(Cl)c2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057334281 823279854 /nfs/dbraw/zinc/27/98/54/823279854.db2.gz LBTYECJJBUTSQB-UHFFFAOYSA-N 1 1 378.863 4.189 50 30 GIEAMO C=CC[N@H+](Cc1ccco1)Cc1cccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)c1 ZINC000023478522 818944531 /nfs/dbraw/zinc/94/45/31/818944531.db2.gz GGMMXYGFFNTACF-OAQYLSRUSA-N 1 1 391.471 4.070 50 30 GIEAMO C=CC[N@@H+](Cc1ccco1)Cc1cccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)c1 ZINC000023478522 818944537 /nfs/dbraw/zinc/94/45/37/818944537.db2.gz GGMMXYGFFNTACF-OAQYLSRUSA-N 1 1 391.471 4.070 50 30 GIEAMO N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCCC[NH+]1CCOCC1 ZINC000039929604 821123371 /nfs/dbraw/zinc/12/33/71/821123371.db2.gz NEEDWNHPTZFQGJ-UHFFFAOYSA-N 1 1 398.510 4.421 50 30 GIEAMO Cc1ccccc1[C@@](C#N)(CCC[NH+]1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC000048533982 822670415 /nfs/dbraw/zinc/67/04/15/822670415.db2.gz LRZQQOWORZDHFC-XMMPIXPASA-N 1 1 393.531 4.244 50 30 GIEAMO CC[C@@H](Oc1ccccc1)C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004986234 523056233 /nfs/dbraw/zinc/05/62/33/523056233.db2.gz VRPPBCLHGKQACG-MRXNPFEDSA-N 1 1 381.259 4.209 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/C=C/C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000020028610 524452806 /nfs/dbraw/zinc/45/28/06/524452806.db2.gz WHMFKZHKSPFCSN-ZHACJKMWSA-N 1 1 386.442 4.111 50 30 GIEAMO Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCC2)[C@@H]2CCc3ccccc32)cc1 ZINC000048303383 570231824 /nfs/dbraw/zinc/23/18/24/570231824.db2.gz MOWGJVUHPHOSGM-HSZRJFAPSA-N 1 1 387.527 4.437 50 30 GIEAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012437504 570237110 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Cc1nc([C@@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n[nH]1 ZINC000170607517 570864829 /nfs/dbraw/zinc/86/48/29/570864829.db2.gz URUUIFFFWUZJJM-HXUWFJFHSA-N 1 1 385.515 4.193 50 30 GIEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+]4CC[C@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027261 570907431 /nfs/dbraw/zinc/90/74/31/570907431.db2.gz ZKHQMBPYBVPJKV-UIMYHHKPSA-N 1 1 385.548 4.158 50 30 GIEAMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000008141979 818006948 /nfs/dbraw/zinc/00/69/48/818006948.db2.gz NMISHJKJOBMDNO-UHFFFAOYSA-N 1 1 386.499 4.095 50 30 GIEAMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000008141979 818006953 /nfs/dbraw/zinc/00/69/53/818006953.db2.gz NMISHJKJOBMDNO-UHFFFAOYSA-N 1 1 386.499 4.095 50 30 GIEAMO C[NH+]1CCN(CCC[C@@]2(C#N)c3ccccc3CSc3ccccc32)CC1 ZINC000022859242 523899328 /nfs/dbraw/zinc/89/93/28/523899328.db2.gz CDORIGHJSQCZRG-HSZRJFAPSA-N 1 1 377.557 4.130 50 30 GIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 ZINC000101827508 524364035 /nfs/dbraw/zinc/36/40/35/524364035.db2.gz CKLAPKVEJOKEHE-GYQJVPAHSA-N 1 1 382.504 4.145 50 30 GIEAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)cc1 ZINC000012056737 525973063 /nfs/dbraw/zinc/97/30/63/525973063.db2.gz MIMTYIBBUXFDHG-JOCHJYFZSA-N 1 1 393.552 4.237 50 30 GIEAMO COc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000010707755 570285080 /nfs/dbraw/zinc/28/50/80/570285080.db2.gz IEXLNSWRSAFGMT-UHFFFAOYSA-N 1 1 399.494 4.068 50 30 GIEAMO COc1ccc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000010707755 570285081 /nfs/dbraw/zinc/28/50/81/570285081.db2.gz IEXLNSWRSAFGMT-UHFFFAOYSA-N 1 1 399.494 4.068 50 30 GIEAMO N=C(Nc1ccc(Br)cc1)C(=[NH2+])Nc1ccc(Br)cc1 ZINC000004100065 570357434 /nfs/dbraw/zinc/35/74/34/570357434.db2.gz FGBSBJHFWPOPOJ-UHFFFAOYSA-N 1 1 396.086 4.290 50 30 GIEAMO CC(=O)O[C@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430735 570955931 /nfs/dbraw/zinc/95/59/31/570955931.db2.gz HJMJDULWIZHBIX-BJKOFHAPSA-N 1 1 376.500 4.177 50 30 GIEAMO CC(=O)O[C@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430735 570955932 /nfs/dbraw/zinc/95/59/32/570955932.db2.gz HJMJDULWIZHBIX-BJKOFHAPSA-N 1 1 376.500 4.177 50 30 GIEAMO C=CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000004753074 570964557 /nfs/dbraw/zinc/96/45/57/570964557.db2.gz HHQCDRDPPXRGAF-HSZRJFAPSA-N 1 1 378.491 4.267 50 30 GIEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1C#N ZINC000007607454 570998702 /nfs/dbraw/zinc/99/87/02/570998702.db2.gz HTOCIVCNPWYJSK-RTBURBONSA-N 1 1 394.519 4.069 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@H]12 ZINC000004029599 817497113 /nfs/dbraw/zinc/49/71/13/817497113.db2.gz RNTVEMBMXUXGLJ-KGKBDIKXSA-N 1 1 397.559 4.355 50 30 GIEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658145 818174740 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GIEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000005059797 524150527 /nfs/dbraw/zinc/15/05/27/524150527.db2.gz PCUGKQMENFTNCN-UHFFFAOYSA-N 1 1 387.650 4.198 50 30 GIEAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012300174 570236337 /nfs/dbraw/zinc/23/63/37/570236337.db2.gz BYNOROIOACOKMF-NRFANRHFSA-N 1 1 381.903 4.169 50 30 GIEAMO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1 ZINC000022928362 570631931 /nfs/dbraw/zinc/63/19/31/570631931.db2.gz RGRSRLIVBRRLKQ-UGKGYDQZSA-N 1 1 396.604 4.378 50 30 GIEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036447037 570907730 /nfs/dbraw/zinc/90/77/30/570907730.db2.gz YHZBKKYRILPZDX-IERDGZPVSA-N 1 1 396.537 4.069 50 30 GIEAMO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000032931241 570945088 /nfs/dbraw/zinc/94/50/88/570945088.db2.gz LMRLEVMGMCWNEG-OALUTQOASA-N 1 1 377.513 4.066 50 30 GIEAMO C=CCC1(CC=C)CCC[N@@H+]1Cc1nc(Cc2ccc(OC)c(OC)c2)no1 ZINC000012196203 818145954 /nfs/dbraw/zinc/14/59/54/818145954.db2.gz NYHLJJFUGUFUTH-UHFFFAOYSA-N 1 1 383.492 4.164 50 30 GIEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc(Br)o1 ZINC000018249707 210217887 /nfs/dbraw/zinc/21/78/87/210217887.db2.gz DZDJZYYPHOCQEA-UHFFFAOYSA-N 1 1 392.036 4.230 50 30 GIEAMO Cc1c(/[NH+]=C/c2ccc3c(c2)C(C)(C)[C@H](C)N3C)c(=O)n(-c2ccccc2)n1C ZINC000000992611 209286438 /nfs/dbraw/zinc/28/64/38/209286438.db2.gz SIIHVDLKAISAJM-STPJHCLOSA-N 1 1 388.515 4.351 50 30 GIEAMO N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096346449 211335899 /nfs/dbraw/zinc/33/58/99/211335899.db2.gz UZYYCMIAZOEUJL-LEWJYISDSA-N 1 1 384.483 4.140 50 30 GIEAMO Cc1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019808692 210297333 /nfs/dbraw/zinc/29/73/33/210297333.db2.gz LAXOTCVXBLGFAJ-UHFFFAOYSA-N 1 1 399.473 4.129 50 30 GIEAMO CC(=[NH+]Nc1ccc(F)cc1)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C ZINC000022027579 518465063 /nfs/dbraw/zinc/46/50/63/518465063.db2.gz LSHPOJCKWWSMHL-YZSQISJMSA-N 1 1 397.473 4.145 50 30 GIEAMO N#CC1(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CCCCC1 ZINC000071954665 526434368 /nfs/dbraw/zinc/43/43/68/526434368.db2.gz CZCSXFHYZZSLOG-UHFFFAOYSA-N 1 1 380.319 4.300 50 30 GIEAMO N#CC1(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CCCCC1 ZINC000071954665 526434375 /nfs/dbraw/zinc/43/43/75/526434375.db2.gz CZCSXFHYZZSLOG-UHFFFAOYSA-N 1 1 380.319 4.300 50 30 GIEAMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146971 570549529 /nfs/dbraw/zinc/54/95/29/570549529.db2.gz PIXQWJWTGYJLKI-FYYLOGMGSA-N 1 1 394.515 4.018 50 30 GIEAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1 ZINC000022928359 570631968 /nfs/dbraw/zinc/63/19/68/570631968.db2.gz RGRSRLIVBRRLKQ-KNQAVFIVSA-N 1 1 396.604 4.378 50 30 GIEAMO C[C@@H]1CCc2sc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143001 570843071 /nfs/dbraw/zinc/84/30/71/570843071.db2.gz QGYLHWXOPWRVQH-QGZVFWFLSA-N 1 1 393.556 4.093 50 30 GIEAMO C[C@@H]1CCc2sc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143001 570843074 /nfs/dbraw/zinc/84/30/74/570843074.db2.gz QGYLHWXOPWRVQH-QGZVFWFLSA-N 1 1 393.556 4.093 50 30 GIEAMO C=CCC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983299 570911729 /nfs/dbraw/zinc/91/17/29/570911729.db2.gz VPBYIJZOTVZTTE-FCHUYYIVSA-N 1 1 382.479 4.148 50 30 GIEAMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000072285053 570970958 /nfs/dbraw/zinc/97/09/58/570970958.db2.gz HWRJZEPYRCFOLB-IBGZPJMESA-N 1 1 387.405 4.083 50 30 GIEAMO N#Cc1c(Cl)cccc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000057369393 823283571 /nfs/dbraw/zinc/28/35/71/823283571.db2.gz VYWFKQNDWHLRJD-UHFFFAOYSA-N 1 1 376.287 4.066 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)C[C@@](C)(O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000012652330 818174655 /nfs/dbraw/zinc/17/46/55/818174655.db2.gz ZZDYKMFBSRRGAE-JNVYHWRHSA-N 1 1 397.559 4.140 50 30 GIEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)s1 ZINC000012300572 209165332 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384.392 4.135 50 30 GIEAMO C#Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011841486 818125535 /nfs/dbraw/zinc/12/55/35/818125535.db2.gz NLKKFNRNHVTTOQ-XMMPIXPASA-N 1 1 394.465 4.074 50 30 GIEAMO C#Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011841488 818125609 /nfs/dbraw/zinc/12/56/09/818125609.db2.gz NLKKFNRNHVTTOQ-DEOSSOPVSA-N 1 1 394.465 4.074 50 30 GIEAMO C[N@@H+]1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000030029566 523866187 /nfs/dbraw/zinc/86/61/87/523866187.db2.gz PJYVVEJXVJTORP-JHUUHBRDSA-N 1 1 398.510 4.083 50 30 GIEAMO C[N@H+]1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000030029566 523866194 /nfs/dbraw/zinc/86/61/94/523866194.db2.gz PJYVVEJXVJTORP-JHUUHBRDSA-N 1 1 398.510 4.083 50 30 GIEAMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000015063150 570246595 /nfs/dbraw/zinc/24/65/95/570246595.db2.gz UAMLVUTYGZEOPA-HSZRJFAPSA-N 1 1 387.470 4.347 50 30 GIEAMO C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](C)C3 ZINC000020814593 570283895 /nfs/dbraw/zinc/28/38/95/570283895.db2.gz OMHZPXHMHGBGLV-UHFFFAOYSA-N 1 1 397.569 4.162 50 30 GIEAMO C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](C)C3 ZINC000020814593 570283896 /nfs/dbraw/zinc/28/38/96/570283896.db2.gz OMHZPXHMHGBGLV-UHFFFAOYSA-N 1 1 397.569 4.162 50 30 GIEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 ZINC000000976488 570343415 /nfs/dbraw/zinc/34/34/15/570343415.db2.gz QANGUEGDIZBQNM-DYCBMTEISA-N 1 1 385.531 4.105 50 30 GIEAMO [NH2+]=C(Cc1cccs1)NOC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004889311 570356584 /nfs/dbraw/zinc/35/65/84/570356584.db2.gz NBYCBXNYDJTROC-UHFFFAOYSA-N 1 1 387.288 4.272 50 30 GIEAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000032930095 570943635 /nfs/dbraw/zinc/94/36/35/570943635.db2.gz DQENCBRUXLGERV-IBGZPJMESA-N 1 1 375.516 4.039 50 30 GIEAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1 ZINC000032930754 570944116 /nfs/dbraw/zinc/94/41/16/570944116.db2.gz DNUPAPNIWASWIB-LJQANCHMSA-N 1 1 375.516 4.182 50 30 GIEAMO CC(C)[C@@H](C)[N@H+]1Cc2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 ZINC000108081024 570982712 /nfs/dbraw/zinc/98/27/12/570982712.db2.gz GXGVWCWQSUDXJM-HXOBKFHXSA-N 1 1 388.515 4.136 50 30 GIEAMO CCCC[N@H+](C)CN1c2ccccc2C(=Nc2ccc(C(=O)OCC)cc2)C1=O ZINC000252597512 571004162 /nfs/dbraw/zinc/00/41/62/571004162.db2.gz CRTCIGSFPRDSBP-UHFFFAOYSA-N 1 1 393.487 4.020 50 30 GIEAMO CCCC[N@@H+](C)CN1c2ccccc2C(=Nc2ccc(C(=O)OCC)cc2)C1=O ZINC000252597512 571004165 /nfs/dbraw/zinc/00/41/65/571004165.db2.gz CRTCIGSFPRDSBP-UHFFFAOYSA-N 1 1 393.487 4.020 50 30 GIEAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[N@H+](C(C)C)C3)cc1 ZINC000004086979 817502160 /nfs/dbraw/zinc/50/21/60/817502160.db2.gz MWPGJGMFPGJRJA-UHFFFAOYSA-N 1 1 383.517 4.426 50 30 GIEAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[N@@H+](C(C)C)C3)cc1 ZINC000004086979 817502164 /nfs/dbraw/zinc/50/21/64/817502164.db2.gz MWPGJGMFPGJRJA-UHFFFAOYSA-N 1 1 383.517 4.426 50 30 GIEAMO CCOc1cc(C[N@@H+](C)CCOc2ccc(C#N)cc2)ccc1OC(F)F ZINC000040086162 821133387 /nfs/dbraw/zinc/13/33/87/821133387.db2.gz ZETQMXWFJIYUQC-UHFFFAOYSA-N 1 1 376.403 4.069 50 30 GIEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)s1 ZINC000012300574 212096158 /nfs/dbraw/zinc/09/61/58/212096158.db2.gz OZBALQSJVXLCHA-INIZCTEOSA-N 1 1 390.499 4.225 50 30 GIEAMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000013060664 221259282 /nfs/dbraw/zinc/25/92/82/221259282.db2.gz VKIVLHLHIBTPLH-UHFFFAOYSA-N 1 1 397.544 4.358 50 30 GIEAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020955962 521246270 /nfs/dbraw/zinc/24/62/70/521246270.db2.gz SBUVUANKUQBARP-QFIPXVFZSA-N 1 1 377.488 4.169 50 30 GIEAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020955962 521246275 /nfs/dbraw/zinc/24/62/75/521246275.db2.gz SBUVUANKUQBARP-QFIPXVFZSA-N 1 1 377.488 4.169 50 30 GIEAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000014969832 525830145 /nfs/dbraw/zinc/83/01/45/525830145.db2.gz JPLCSPWCKWVUMP-FQEVSTJZSA-N 1 1 381.541 4.274 50 30 GIEAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC#CCC(O)(c1ccccc1)c1ccccc1 ZINC000020411686 526018285 /nfs/dbraw/zinc/01/82/85/526018285.db2.gz MHYMFBGDRNOBJX-BKMJKUGQSA-N 1 1 399.534 4.370 50 30 GIEAMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147227 570549298 /nfs/dbraw/zinc/54/92/98/570549298.db2.gz VPBYIJZOTVZTTE-YADHBBJMSA-N 1 1 382.479 4.148 50 30 GIEAMO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036389872 570671498 /nfs/dbraw/zinc/67/14/98/570671498.db2.gz LMRLEVMGMCWNEG-RTBURBONSA-N 1 1 377.513 4.066 50 30 GIEAMO CCCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccccc3OC)ccc21 ZINC000003050719 817415631 /nfs/dbraw/zinc/41/56/31/817415631.db2.gz LESMXMVEBLAYMG-PXLXIMEGSA-N 1 1 382.533 4.178 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C[C@@](C)(O)c4ccccc4)[C@H]3C[C@@H]12 ZINC000004023038 817497091 /nfs/dbraw/zinc/49/70/91/817497091.db2.gz ZZDYKMFBSRRGAE-FKULMBCPSA-N 1 1 397.559 4.140 50 30 GIEAMO N#Cc1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000058175522 823366580 /nfs/dbraw/zinc/36/65/80/823366580.db2.gz CJKOEZLHKVTYGK-HXUWFJFHSA-N 1 1 393.537 4.488 50 30 GIEAMO C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCC)C3 ZINC000019940223 212106475 /nfs/dbraw/zinc/10/64/75/212106475.db2.gz SFKKRTIIRBCYQW-UHFFFAOYSA-N 1 1 397.569 4.493 50 30 GIEAMO C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCC)C3 ZINC000019940223 212106478 /nfs/dbraw/zinc/10/64/78/212106478.db2.gz SFKKRTIIRBCYQW-UHFFFAOYSA-N 1 1 397.569 4.493 50 30 GIEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000012974873 221250994 /nfs/dbraw/zinc/25/09/94/221250994.db2.gz YHZBKKYRILPZDX-IIBYNOLFSA-N 1 1 396.537 4.069 50 30 GIEAMO Cc1ccc2nc([C@@H]([NH2+]C3CCN(c4cc(C#N)ccn4)CC3)C(C)C)[nH]c2c1 ZINC000095520539 136181325 /nfs/dbraw/zinc/18/13/25/136181325.db2.gz DDZSARQFDHRSFK-QFIPXVFZSA-N 1 1 388.519 4.094 50 30 GIEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1cccc(OCc2ccccc2)c1 ZINC000019790536 518376012 /nfs/dbraw/zinc/37/60/12/518376012.db2.gz UYQWKMGQNAOQLV-LGUFXXKBSA-N 1 1 385.511 4.417 50 30 GIEAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785088 521693160 /nfs/dbraw/zinc/69/31/60/521693160.db2.gz FHZWVYZVDJZMJA-VQIMIIECSA-N 1 1 394.654 4.023 50 30 GIEAMO CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100567783 523129685 /nfs/dbraw/zinc/12/96/85/523129685.db2.gz XHWQPGMAHKBRBX-HDYAUDIQSA-N 1 1 384.392 4.135 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)ccc3F)CC2)cc1 ZINC000019834188 570223526 /nfs/dbraw/zinc/22/35/26/570223526.db2.gz KIQPMMWFSVTJNX-LPYMAVHISA-N 1 1 390.300 4.048 50 30 GIEAMO C=CCOc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012196231 570235967 /nfs/dbraw/zinc/23/59/67/570235967.db2.gz AFEKHZAZRMWXRN-HXUWFJFHSA-N 1 1 382.479 4.127 50 30 GIEAMO C=CCOc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012196231 570235972 /nfs/dbraw/zinc/23/59/72/570235972.db2.gz AFEKHZAZRMWXRN-HXUWFJFHSA-N 1 1 382.479 4.127 50 30 GIEAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785093 570546999 /nfs/dbraw/zinc/54/69/99/570546999.db2.gz FHZWVYZVDJZMJA-APWZRJJASA-N 1 1 394.654 4.023 50 30 GIEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000239309695 570826213 /nfs/dbraw/zinc/82/62/13/570826213.db2.gz HTOCIVCNPWYJSK-OALUTQOASA-N 1 1 394.519 4.069 50 30 GIEAMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000105629397 570930733 /nfs/dbraw/zinc/93/07/33/570930733.db2.gz NSTQSQCBZNTYLE-OALUTQOASA-N 1 1 391.515 4.016 50 30 GIEAMO C=CC[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cnc(CCC)nc2)C1 ZINC000065407028 571000593 /nfs/dbraw/zinc/00/05/93/571000593.db2.gz DTMBQICMRJPGMN-IBGZPJMESA-N 1 1 387.531 4.468 50 30 GIEAMO CC(C)[C@@H]1CN(C(=O)c2ccccc2C#N)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752887 222192052 /nfs/dbraw/zinc/19/20/52/222192052.db2.gz GHIBFOUPSSLUMO-QFIPXVFZSA-N 1 1 379.479 4.070 50 30 GIEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC000019833141 518459227 /nfs/dbraw/zinc/45/92/27/518459227.db2.gz AIDRRAIBFGTOQK-OQKWZONESA-N 1 1 386.337 4.299 50 30 GIEAMO C=CCNc1nc(N2CCCCC2)c(C#N)c2c1C[N@H+](C1CCCCC1)CC2 ZINC000013510971 518964170 /nfs/dbraw/zinc/96/41/70/518964170.db2.gz HZDPCMFPVYWPGY-UHFFFAOYSA-N 1 1 379.552 4.232 50 30 GIEAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020955984 521245959 /nfs/dbraw/zinc/24/59/59/521245959.db2.gz JFHFQNMLEKGTMY-NRFANRHFSA-N 1 1 395.478 4.308 50 30 GIEAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020955984 521245965 /nfs/dbraw/zinc/24/59/65/521245965.db2.gz JFHFQNMLEKGTMY-NRFANRHFSA-N 1 1 395.478 4.308 50 30 GIEAMO CCc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000029939456 524033182 /nfs/dbraw/zinc/03/31/82/524033182.db2.gz ZSNQPQCGHNBTOG-OAQYLSRUSA-N 1 1 381.545 4.332 50 30 GIEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000097032707 526867623 /nfs/dbraw/zinc/86/76/23/526867623.db2.gz IANSMGVONFBPRK-FQEVSTJZSA-N 1 1 377.488 4.484 50 30 GIEAMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000097032707 526867629 /nfs/dbraw/zinc/86/76/29/526867629.db2.gz IANSMGVONFBPRK-FQEVSTJZSA-N 1 1 377.488 4.484 50 30 GIEAMO C=CCOc1cccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012196237 570235777 /nfs/dbraw/zinc/23/57/77/570235777.db2.gz AFEKHZAZRMWXRN-FQEVSTJZSA-N 1 1 382.479 4.127 50 30 GIEAMO C=CCOc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012196237 570235783 /nfs/dbraw/zinc/23/57/83/570235783.db2.gz AFEKHZAZRMWXRN-FQEVSTJZSA-N 1 1 382.479 4.127 50 30 GIEAMO CCCc1nc(C#N)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000026779524 570437423 /nfs/dbraw/zinc/43/74/23/570437423.db2.gz LPQTUSVHCZOBIB-UHFFFAOYSA-N 1 1 386.499 4.410 50 30 GIEAMO C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCOC)Cc2cccc(OC)c2)o1 ZINC000036156153 570553398 /nfs/dbraw/zinc/55/33/98/570553398.db2.gz ZOPAYZURPGLKTH-UHFFFAOYSA-N 1 1 385.504 4.277 50 30 GIEAMO C=CCC(O)(CC=C)c1ccc(C[N@H+](CCOC)Cc2cccc(OC)c2)o1 ZINC000036156153 570553401 /nfs/dbraw/zinc/55/34/01/570553401.db2.gz ZOPAYZURPGLKTH-UHFFFAOYSA-N 1 1 385.504 4.277 50 30 GIEAMO [NH2+]=C1NC(N=Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 ZINC000100931527 570781096 /nfs/dbraw/zinc/78/10/96/570781096.db2.gz CMXMSWRJTYXFTR-UHFFFAOYSA-N 1 1 398.289 4.065 50 30 GIEAMO C=CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000003390777 817447287 /nfs/dbraw/zinc/44/72/87/817447287.db2.gz XIKYZTGDAQDTNU-NRFANRHFSA-N 1 1 377.484 4.276 50 30 GIEAMO OCCC#Cc1ccc(C[N@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012577835 818167426 /nfs/dbraw/zinc/16/74/26/818167426.db2.gz RYNYDUFFGWTVFD-SANMLTNESA-N 1 1 391.555 4.018 50 30 GIEAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000007977021 221017786 /nfs/dbraw/zinc/01/77/86/221017786.db2.gz MVWFPSIVDHMABR-UHFFFAOYSA-N 1 1 376.504 4.373 50 30 GIEAMO C[C@H]1CCc2sc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143002 221868039 /nfs/dbraw/zinc/86/80/39/221868039.db2.gz QGYLHWXOPWRVQH-KRWDZBQOSA-N 1 1 393.556 4.093 50 30 GIEAMO C[C@H]1CCc2sc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143002 221868041 /nfs/dbraw/zinc/86/80/41/221868041.db2.gz QGYLHWXOPWRVQH-KRWDZBQOSA-N 1 1 393.556 4.093 50 30 GIEAMO CCCCOc1ccc(C(=O)ONC(=[NH2+])c2cccc(Br)c2)cc1 ZINC000004831975 520871769 /nfs/dbraw/zinc/87/17/69/520871769.db2.gz VGIRMEVVGZWCOH-UHFFFAOYSA-N 1 1 391.265 4.105 50 30 GIEAMO Cc1cc(=N)n(C(=NC2CC(C)(C)[NH2+]C(C)(C)C2)Nc2cccc(C)c2)s1 ZINC000020407948 526099178 /nfs/dbraw/zinc/09/91/78/526099178.db2.gz QTQDHGPYIYJPFI-UHFFFAOYSA-N 1 1 385.581 4.271 50 30 GIEAMO BrC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C/c1ccccc1 ZINC000020189946 570246756 /nfs/dbraw/zinc/24/67/56/570246756.db2.gz DYNORDCFBLDDQF-RQRAPYSXSA-N 1 1 384.321 4.226 50 30 GIEAMO C=CCc1cc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c(O)c(OC)c1 ZINC000022794516 570295131 /nfs/dbraw/zinc/29/51/31/570295131.db2.gz LWWBTGFLCURWNL-UHFFFAOYSA-N 1 1 392.952 4.162 50 30 GIEAMO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036389873 570671532 /nfs/dbraw/zinc/67/15/32/570671532.db2.gz LMRLEVMGMCWNEG-RBUKOAKNSA-N 1 1 377.513 4.066 50 30 GIEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000036398545 570683481 /nfs/dbraw/zinc/68/34/81/570683481.db2.gz YCUQYENCZVDZRV-RTBURBONSA-N 1 1 391.515 4.016 50 30 GIEAMO CC[NH+]1CCN(c2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)CC1 ZINC000019820353 818605844 /nfs/dbraw/zinc/60/58/44/818605844.db2.gz JMQKFGHXTUOQHV-UHFFFAOYSA-N 1 1 395.576 4.177 50 30 GIEAMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C#N ZINC000095993105 212153106 /nfs/dbraw/zinc/15/31/06/212153106.db2.gz JZQUPKWMSJTKFH-SFHVURJKSA-N 1 1 379.508 4.112 50 30 GIEAMO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1C#N ZINC000095993105 212153108 /nfs/dbraw/zinc/15/31/08/212153108.db2.gz JZQUPKWMSJTKFH-SFHVURJKSA-N 1 1 379.508 4.112 50 30 GIEAMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1C#N ZINC000095993105 212153110 /nfs/dbraw/zinc/15/31/10/212153110.db2.gz JZQUPKWMSJTKFH-SFHVURJKSA-N 1 1 379.508 4.112 50 30 GIEAMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC000019594622 518449481 /nfs/dbraw/zinc/44/94/81/518449481.db2.gz AIDRRAIBFGTOQK-XLNRJJMWSA-N 1 1 386.337 4.299 50 30 GIEAMO Cc1ccccc1C[NH+]1CCN(/C=C/C(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000020028621 525139729 /nfs/dbraw/zinc/13/97/29/525139729.db2.gz IWGRGNPEQIPHRM-ZHACJKMWSA-N 1 1 386.442 4.111 50 30 GIEAMO Cc1noc(-c2ccc(Cl)cc2)c1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004394460 526450281 /nfs/dbraw/zinc/45/02/81/526450281.db2.gz RYZQXRJDSAQDSK-UHFFFAOYSA-N 1 1 390.226 4.434 50 30 GIEAMO CC[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138177744 570486269 /nfs/dbraw/zinc/48/62/69/570486269.db2.gz XHWQPGMAHKBRBX-GPSAUMFZSA-N 1 1 384.392 4.135 50 30 GIEAMO CCCCCCC[N@@H+](CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008220878 570524899 /nfs/dbraw/zinc/52/48/99/570524899.db2.gz ALOBUEHUHMBRLE-FQEVSTJZSA-N 1 1 384.586 4.164 50 30 fda GIEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000036398546 570683265 /nfs/dbraw/zinc/68/32/65/570683265.db2.gz YCUQYENCZVDZRV-RBUKOAKNSA-N 1 1 391.515 4.016 50 30 GIEAMO N#CC(CC[NH+]1CCN(c2nccs2)CC1)(c1ccccc1)c1ccccc1 ZINC000032765361 570803037 /nfs/dbraw/zinc/80/30/37/570803037.db2.gz HCAGWECQRAEZFJ-UHFFFAOYSA-N 1 1 388.540 4.165 50 30 GIEAMO N#Cc1nc(/C=C/c2cccs2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054151503 822864385 /nfs/dbraw/zinc/86/43/85/822864385.db2.gz AXOVONGURINTPY-CMDGGOBGSA-N 1 1 376.485 4.100 50 30 GIEAMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000058104721 136154440 /nfs/dbraw/zinc/15/44/40/136154440.db2.gz DSXOOWLQTWVIJZ-UHFFFAOYSA-N 1 1 388.446 4.207 50 30 GIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@H]12 ZINC000012660727 518660405 /nfs/dbraw/zinc/66/04/05/518660405.db2.gz RNTVEMBMXUXGLJ-MUVSAAHNSA-N 1 1 397.559 4.355 50 30 GIEAMO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000036395689 525918262 /nfs/dbraw/zinc/91/82/62/525918262.db2.gz SFOCNTZMIFRDEV-OAHLLOKOSA-N 1 1 383.458 4.111 50 30 GIEAMO Cc1c(/[NH+]=C/c2ccc3c(c2)C(C)(C)[C@@H](C)N3C)c(=O)n(-c2ccccc2)n1C ZINC000004116090 570357981 /nfs/dbraw/zinc/35/79/81/570357981.db2.gz SIIHVDLKAISAJM-SCELWYEFSA-N 1 1 388.515 4.351 50 30 GIEAMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713387 570478544 /nfs/dbraw/zinc/47/85/44/570478544.db2.gz FHYSSCOTHPGCTN-XJKSGUPXSA-N 1 1 392.409 4.195 50 30 GIEAMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713387 570478549 /nfs/dbraw/zinc/47/85/49/570478549.db2.gz FHYSSCOTHPGCTN-XJKSGUPXSA-N 1 1 392.409 4.195 50 30 GIEAMO N#Cc1ccc(C[NH+]2CCN(Cc3cc4ccccc4nc3Cl)CC2)cc1 ZINC000021843031 570750319 /nfs/dbraw/zinc/75/03/19/570750319.db2.gz GHLAOGDXMIOFPK-UHFFFAOYSA-N 1 1 376.891 4.078 50 30 GIEAMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060475346 570823176 /nfs/dbraw/zinc/82/31/76/570823176.db2.gz NSTQSQCBZNTYLE-MOPGFXCFSA-N 1 1 391.515 4.016 50 30 GIEAMO Cn1c2ccccc2c(C#N)c1CN(C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004182534 570982988 /nfs/dbraw/zinc/98/29/88/570982988.db2.gz XQIBWAFCTDKMNI-UHFFFAOYSA-N 1 1 386.499 4.069 50 30 GIEAMO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000002626976 817393499 /nfs/dbraw/zinc/39/34/99/817393499.db2.gz RZQONINWITYQCB-UHFFFAOYSA-N 1 1 379.529 4.276 50 30 GIEAMO COc1ccccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000019837048 818606680 /nfs/dbraw/zinc/60/66/80/818606680.db2.gz IXRJJXRMPTUDQX-UHFFFAOYSA-N 1 1 396.490 4.357 50 30 GIEAMO COc1ccccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000019837048 818606688 /nfs/dbraw/zinc/60/66/88/818606688.db2.gz IXRJJXRMPTUDQX-UHFFFAOYSA-N 1 1 396.490 4.357 50 30 GIEAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000007614313 221003641 /nfs/dbraw/zinc/00/36/41/221003641.db2.gz KNLWBVSALNOSAN-UHFFFAOYSA-N 1 1 396.516 4.058 50 30 GIEAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000007614313 221003643 /nfs/dbraw/zinc/00/36/43/221003643.db2.gz KNLWBVSALNOSAN-UHFFFAOYSA-N 1 1 396.516 4.058 50 30 GIEAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020955966 521272606 /nfs/dbraw/zinc/27/26/06/521272606.db2.gz SBUVUANKUQBARP-JOCHJYFZSA-N 1 1 377.488 4.169 50 30 GIEAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020955966 521272612 /nfs/dbraw/zinc/27/26/12/521272612.db2.gz SBUVUANKUQBARP-JOCHJYFZSA-N 1 1 377.488 4.169 50 30 GIEAMO COc1ccc(CC[C@](C)(O)C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000245226126 570434236 /nfs/dbraw/zinc/43/42/36/570434236.db2.gz IRUDFFVUOWSUDD-BJKOFHAPSA-N 1 1 378.516 4.004 50 30 GIEAMO COc1ccc(CC[C@](C)(O)C#CC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000245226126 570434238 /nfs/dbraw/zinc/43/42/38/570434238.db2.gz IRUDFFVUOWSUDD-BJKOFHAPSA-N 1 1 378.516 4.004 50 30 GIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3C(F)(F)F)CC2)c(C)c1 ZINC000252394329 570442404 /nfs/dbraw/zinc/44/24/04/570442404.db2.gz IQWVFGRXSAEHDJ-UHFFFAOYSA-N 1 1 375.438 4.474 50 30 GIEAMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146967 570549582 /nfs/dbraw/zinc/54/95/82/570549582.db2.gz PIXQWJWTGYJLKI-GGAORHGYSA-N 1 1 394.515 4.018 50 30 GIEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1C#N ZINC000239309694 570826224 /nfs/dbraw/zinc/82/62/24/570826224.db2.gz HTOCIVCNPWYJSK-MOPGFXCFSA-N 1 1 394.519 4.069 50 30 GIEAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C#N)CC2)c(F)c1 ZINC000072479217 570882336 /nfs/dbraw/zinc/88/23/36/570882336.db2.gz NVWSKFKVPHAJCD-UHFFFAOYSA-N 1 1 390.462 4.423 50 30 GIEAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1 ZINC000032930755 570944043 /nfs/dbraw/zinc/94/40/43/570944043.db2.gz DNUPAPNIWASWIB-IBGZPJMESA-N 1 1 375.516 4.182 50 30 GIEAMO CCc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C[N@H+](C(C)C)CC2 ZINC000033317821 570972979 /nfs/dbraw/zinc/97/29/79/570972979.db2.gz AZOLOHNZCDECMA-UHFFFAOYSA-N 1 1 394.544 4.013 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@@H]21 ZINC000252527841 570988340 /nfs/dbraw/zinc/98/83/40/570988340.db2.gz DMEYGMPQWUWJKV-YLQAJVPDSA-N 1 1 393.890 4.086 50 30 GIEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@@H]21 ZINC000252527841 570988341 /nfs/dbraw/zinc/98/83/41/570988341.db2.gz DMEYGMPQWUWJKV-YLQAJVPDSA-N 1 1 393.890 4.086 50 30 GIEAMO