smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116383858 929600737 /nfs/dbraw/zinc/60/07/37/929600737.db2.gz BWAMLCGKZYLJDH-AVRDEDQJSA-N 2 2 351.494 3.647 20 30 FHEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116383858 929600741 /nfs/dbraw/zinc/60/07/41/929600741.db2.gz BWAMLCGKZYLJDH-AVRDEDQJSA-N 2 2 351.494 3.647 20 30 FHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411097 938576619 /nfs/dbraw/zinc/57/66/19/938576619.db2.gz YSNUNYGOJDDAIJ-MDNUFGMLSA-N 3 2 353.554 3.527 20 30 FHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411097 938576622 /nfs/dbraw/zinc/57/66/22/938576622.db2.gz YSNUNYGOJDDAIJ-MDNUFGMLSA-N 3 2 353.554 3.527 20 30 FHEDLP N#CCCn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccccc2)n1 ZINC000271173299 942119636 /nfs/dbraw/zinc/11/96/36/942119636.db2.gz DTKUSRZMMBOXRA-UHFFFAOYSA-N 2 2 360.465 3.566 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966799 942604575 /nfs/dbraw/zinc/60/45/75/942604575.db2.gz DHZUYUDIJZICPC-RTWAWAEBSA-N 2 2 361.574 3.528 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966799 942604577 /nfs/dbraw/zinc/60/45/77/942604577.db2.gz DHZUYUDIJZICPC-RTWAWAEBSA-N 2 2 361.574 3.528 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435437109 943416148 /nfs/dbraw/zinc/41/61/48/943416148.db2.gz JCWFLYJQTMLOKE-SFHVURJKSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435437109 943416152 /nfs/dbraw/zinc/41/61/52/943416152.db2.gz JCWFLYJQTMLOKE-SFHVURJKSA-N 2 2 357.523 3.628 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000181728712 945436796 /nfs/dbraw/zinc/43/67/96/945436796.db2.gz ORLZURGDUZQSFH-FQEVSTJZSA-N 2 2 361.489 3.679 20 30 FHEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822381 946024589 /nfs/dbraw/zinc/02/45/89/946024589.db2.gz UZUHABFRDOEUGK-XMSQKQJNSA-N 2 2 355.526 3.944 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839565 946706943 /nfs/dbraw/zinc/70/69/43/946706943.db2.gz QEKDSWHDLYPENX-QGZVFWFLSA-N 2 2 360.498 3.772 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000602507034 567988783 /nfs/dbraw/zinc/98/87/83/567988783.db2.gz NQPQNTSYYYMFNW-GOSISDBHSA-N 2 2 355.526 3.512 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000602507034 567988784 /nfs/dbraw/zinc/98/87/84/567988784.db2.gz NQPQNTSYYYMFNW-GOSISDBHSA-N 2 2 355.526 3.512 20 30 FHEDLP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000104167909 935004080 /nfs/dbraw/zinc/00/40/80/935004080.db2.gz IJPPVNWUSNVBCH-IBGZPJMESA-N 2 2 358.461 3.642 20 30 FHEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000539497296 935224787 /nfs/dbraw/zinc/22/47/87/935224787.db2.gz UVAJIFTXSRQQAJ-AVRDEDQJSA-N 2 2 351.494 3.918 20 30 FHEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000539497296 935224790 /nfs/dbraw/zinc/22/47/90/935224790.db2.gz UVAJIFTXSRQQAJ-AVRDEDQJSA-N 2 2 351.494 3.918 20 30 FHEDLP Cc1cn2cc(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2[nH+]1 ZINC000329465183 938430288 /nfs/dbraw/zinc/43/02/88/938430288.db2.gz UZPPSNZJTCTVGN-GOSISDBHSA-N 2 2 369.513 3.632 20 30 FHEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000518439198 944367144 /nfs/dbraw/zinc/36/71/44/944367144.db2.gz AXYXRZMGKVUMLR-SFHVURJKSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000518439198 944367150 /nfs/dbraw/zinc/36/71/50/944367150.db2.gz AXYXRZMGKVUMLR-SFHVURJKSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000518439198 944367157 /nfs/dbraw/zinc/36/71/57/944367157.db2.gz AXYXRZMGKVUMLR-SFHVURJKSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000518439198 944367162 /nfs/dbraw/zinc/36/71/62/944367162.db2.gz AXYXRZMGKVUMLR-SFHVURJKSA-N 2 2 369.534 3.891 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330355910 945660709 /nfs/dbraw/zinc/66/07/09/945660709.db2.gz RBFKAQSHEQEMNS-CGTJXYLNSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330355910 945660714 /nfs/dbraw/zinc/66/07/14/945660714.db2.gz RBFKAQSHEQEMNS-CGTJXYLNSA-N 2 2 358.530 3.852 20 30 FHEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822378 946024819 /nfs/dbraw/zinc/02/48/19/946024819.db2.gz UZUHABFRDOEUGK-AVRDEDQJSA-N 2 2 355.526 3.944 20 30 FHEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)CC1 ZINC000328644683 946963510 /nfs/dbraw/zinc/96/35/10/946963510.db2.gz GBXTWIYZXORPTE-VIQWUECVSA-N 2 2 373.545 3.546 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000602507035 567988834 /nfs/dbraw/zinc/98/88/34/567988834.db2.gz NQPQNTSYYYMFNW-SFHVURJKSA-N 2 2 355.526 3.512 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000602507035 567988835 /nfs/dbraw/zinc/98/88/35/567988835.db2.gz NQPQNTSYYYMFNW-SFHVURJKSA-N 2 2 355.526 3.512 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602625054 567999091 /nfs/dbraw/zinc/99/90/91/567999091.db2.gz WZQCEHWECVOAFW-FPOVZHCZSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602625054 567999092 /nfs/dbraw/zinc/99/90/92/567999092.db2.gz WZQCEHWECVOAFW-FPOVZHCZSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912496 568178349 /nfs/dbraw/zinc/17/83/49/568178349.db2.gz BRTLPNCCOZTFFX-MBSDFSHPSA-N 2 2 363.505 3.624 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC2)cc1 ZINC000182027181 568558575 /nfs/dbraw/zinc/55/85/75/568558575.db2.gz MYXNGOVHBBQLFX-VXNXHJTFSA-N 2 2 357.501 3.698 20 30 FHEDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927972 927576408 /nfs/dbraw/zinc/57/64/08/927576408.db2.gz GZLLWKXKPZVDJE-HOTGVXAUSA-N 2 2 361.917 3.533 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000180935774 934419663 /nfs/dbraw/zinc/41/96/63/934419663.db2.gz PMDXHZPYDYXAJP-UHFFFAOYSA-N 2 2 353.304 3.588 20 30 FHEDLP C=CCC[C@H](O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472580679 940933637 /nfs/dbraw/zinc/93/36/37/940933637.db2.gz DJOCOLVQJAKMOD-IBGZPJMESA-N 2 2 360.546 3.526 20 30 FHEDLP C=CCC[C@H](O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472580679 940933639 /nfs/dbraw/zinc/93/36/39/940933639.db2.gz DJOCOLVQJAKMOD-IBGZPJMESA-N 2 2 360.546 3.526 20 30 FHEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181099878 941108765 /nfs/dbraw/zinc/10/87/65/941108765.db2.gz WONQHAPSBQLFJB-UHFFFAOYSA-N 2 2 373.298 3.509 20 30 FHEDLP C=CCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039960 /nfs/dbraw/zinc/03/99/60/942039960.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039964 /nfs/dbraw/zinc/03/99/64/942039964.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039969 /nfs/dbraw/zinc/03/99/69/942039969.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039975 /nfs/dbraw/zinc/03/99/75/942039975.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000513689489 942105390 /nfs/dbraw/zinc/10/53/90/942105390.db2.gz CVZSRLNRCCVFPY-UHFFFAOYSA-N 2 2 371.488 3.562 20 30 FHEDLP N#Cc1c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn2ccccc12 ZINC000503366803 943142083 /nfs/dbraw/zinc/14/20/83/943142083.db2.gz KICGMGOQFNZSKQ-QGZVFWFLSA-N 2 2 359.477 3.723 20 30 FHEDLP N#Cc1c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn2ccccc12 ZINC000503366803 943142085 /nfs/dbraw/zinc/14/20/85/943142085.db2.gz KICGMGOQFNZSKQ-QGZVFWFLSA-N 2 2 359.477 3.723 20 30 FHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000518015238 944935134 /nfs/dbraw/zinc/93/51/34/944935134.db2.gz OXDCKLQDMBYGRJ-TVPLGVNVSA-N 2 2 363.427 3.940 20 30 FHEDLP C[C@@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000549626477 948379276 /nfs/dbraw/zinc/37/92/76/948379276.db2.gz SBBNNRYXISFPLV-QZTJIDSGSA-N 2 2 355.526 3.706 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005431 567835908 /nfs/dbraw/zinc/83/59/08/567835908.db2.gz CVRYBWXJOVDKPY-MZRZTIOWSA-N 2 2 361.917 3.752 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005431 567835909 /nfs/dbraw/zinc/83/59/09/567835909.db2.gz CVRYBWXJOVDKPY-MZRZTIOWSA-N 2 2 361.917 3.752 20 30 FHEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)cn1 ZINC000366009702 567930047 /nfs/dbraw/zinc/93/00/47/567930047.db2.gz LUBPJOBGDQEDDA-CYBMUJFWSA-N 2 2 351.841 3.952 20 30 FHEDLP CC[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000602512712 567989418 /nfs/dbraw/zinc/98/94/18/567989418.db2.gz SICKMBNZOIAQTF-NQIIRXRSSA-N 2 2 355.526 3.512 20 30 FHEDLP CC[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000602512712 567989419 /nfs/dbraw/zinc/98/94/19/567989419.db2.gz SICKMBNZOIAQTF-NQIIRXRSSA-N 2 2 355.526 3.512 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602625055 567999116 /nfs/dbraw/zinc/99/91/16/567999116.db2.gz WZQCEHWECVOAFW-PZJWPPBQSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602625055 567999117 /nfs/dbraw/zinc/99/91/17/567999117.db2.gz WZQCEHWECVOAFW-PZJWPPBQSA-N 2 2 355.526 3.730 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979975 568036804 /nfs/dbraw/zinc/03/68/04/568036804.db2.gz JWTRMRSXICUPIX-VVIORFSUSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979975 568036805 /nfs/dbraw/zinc/03/68/05/568036805.db2.gz JWTRMRSXICUPIX-VVIORFSUSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@H]1C#N ZINC000602979975 568036806 /nfs/dbraw/zinc/03/68/06/568036806.db2.gz JWTRMRSXICUPIX-VVIORFSUSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@H]1C#N ZINC000602979975 568036807 /nfs/dbraw/zinc/03/68/07/568036807.db2.gz JWTRMRSXICUPIX-VVIORFSUSA-N 2 2 350.510 3.935 20 30 FHEDLP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181914217 568195517 /nfs/dbraw/zinc/19/55/17/568195517.db2.gz GBXIQKXBNAITAD-UZLBHIALSA-N 2 2 369.534 3.686 20 30 FHEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570248304 568466310 /nfs/dbraw/zinc/46/63/10/568466310.db2.gz OQNHPEWNZUHMRY-UHFFFAOYSA-N 2 2 354.885 3.670 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966801 942604537 /nfs/dbraw/zinc/60/45/37/942604537.db2.gz DHZUYUDIJZICPC-SFTDATJTSA-N 2 2 361.574 3.528 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966801 942604538 /nfs/dbraw/zinc/60/45/38/942604538.db2.gz DHZUYUDIJZICPC-SFTDATJTSA-N 2 2 361.574 3.528 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435396270 943390397 /nfs/dbraw/zinc/39/03/97/943390397.db2.gz XMLFFFOOVBKBTF-NRFANRHFSA-N 2 2 351.494 3.791 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435396270 943390404 /nfs/dbraw/zinc/39/04/04/943390404.db2.gz XMLFFFOOVBKBTF-NRFANRHFSA-N 2 2 351.494 3.791 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435444320 943420373 /nfs/dbraw/zinc/42/03/73/943420373.db2.gz WFODUNFTSGMQCQ-IBGZPJMESA-N 2 2 369.534 3.852 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435444320 943420376 /nfs/dbraw/zinc/42/03/76/943420376.db2.gz WFODUNFTSGMQCQ-IBGZPJMESA-N 2 2 369.534 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354708 945659146 /nfs/dbraw/zinc/65/91/46/945659146.db2.gz PSSRJCIUBYOKIY-GOSISDBHSA-N 2 2 358.530 3.996 20 30 FHEDLP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912529 568178414 /nfs/dbraw/zinc/17/84/14/568178414.db2.gz BRTLPNCCOZTFFX-FDDCHVKYSA-N 2 2 363.505 3.624 20 30 FHEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928771 568189539 /nfs/dbraw/zinc/18/95/39/568189539.db2.gz BDOIHWVYSOGQGX-OAQYLSRUSA-N 2 2 355.526 3.805 20 30 FHEDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488114 /nfs/dbraw/zinc/48/81/14/568488114.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488116 /nfs/dbraw/zinc/48/81/16/568488116.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488117 /nfs/dbraw/zinc/48/81/17/568488117.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488118 /nfs/dbraw/zinc/48/81/18/568488118.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 2 2 361.489 3.665 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000657360213 935348770 /nfs/dbraw/zinc/34/87/70/935348770.db2.gz YZSZEJHQFULJTK-UHFFFAOYSA-N 2 2 353.514 3.520 20 30 FHEDLP C=CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000075758087 936019044 /nfs/dbraw/zinc/01/90/44/936019044.db2.gz SMCUPCOWUYQFMR-UHFFFAOYSA-N 2 2 363.461 3.795 20 30 FHEDLP CC[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261969947 944360669 /nfs/dbraw/zinc/36/06/69/944360669.db2.gz MOIQVXXJFYGVSQ-DLBZAZTESA-N 2 2 373.570 3.771 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000181728732 945436457 /nfs/dbraw/zinc/43/64/57/945436457.db2.gz ORLZURGDUZQSFH-HXUWFJFHSA-N 2 2 361.489 3.679 20 30 FHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000520294251 946372759 /nfs/dbraw/zinc/37/27/59/946372759.db2.gz ZEMXELWKCZTIHR-FQEVSTJZSA-N 2 2 355.551 3.887 20 30 FHEDLP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303406227 946575265 /nfs/dbraw/zinc/57/52/65/946575265.db2.gz RDVWLVDBVSVUCF-QGZVFWFLSA-N 2 2 361.493 3.801 20 30 FHEDLP N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000507802634 948632176 /nfs/dbraw/zinc/63/21/76/948632176.db2.gz VZUJXQBLWYAHAN-UHFFFAOYSA-N 2 2 358.445 3.787 20 30 FHEDLP Cc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602532109 567988887 /nfs/dbraw/zinc/98/88/87/567988887.db2.gz KCJSWJSYJMGWRW-TZIWHRDSSA-N 2 2 355.526 3.821 20 30 FHEDLP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181914192 568195491 /nfs/dbraw/zinc/19/54/91/568195491.db2.gz GBXIQKXBNAITAD-JXFKEZNVSA-N 2 2 369.534 3.686 20 30 FHEDLP CCOCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000182022589 568468200 /nfs/dbraw/zinc/46/82/00/568468200.db2.gz PIUNDELYOXPMMT-UHFFFAOYSA-N 2 2 355.526 3.709 20 30 FHEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000160603193 931036719 /nfs/dbraw/zinc/03/67/19/931036719.db2.gz POWAHYAHLAJUJT-GFCCVEGCSA-N 2 2 372.416 3.676 20 30 FHEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000187666715 934134076 /nfs/dbraw/zinc/13/40/76/934134076.db2.gz HJXATGBMGZKVGF-UHFFFAOYSA-N 2 2 371.488 3.562 20 30 FHEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cn1 ZINC000237647219 936181689 /nfs/dbraw/zinc/18/16/89/936181689.db2.gz VRLCOBIOBCDCGN-UHFFFAOYSA-N 2 2 361.449 3.548 20 30 FHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322613 939182604 /nfs/dbraw/zinc/18/26/04/939182604.db2.gz MDYJSYVYDDZHNR-LJQANCHMSA-N 2 2 373.504 3.596 20 30 FHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322613 939182608 /nfs/dbraw/zinc/18/26/08/939182608.db2.gz MDYJSYVYDDZHNR-LJQANCHMSA-N 2 2 373.504 3.596 20 30 FHEDLP N#Cc1c(F)ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1Cl ZINC000365402408 940152320 /nfs/dbraw/zinc/15/23/20/940152320.db2.gz BLYFUYNNUICFLV-MRXNPFEDSA-N 2 2 372.875 3.748 20 30 FHEDLP N#Cc1c(F)ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Cl ZINC000365402408 940152322 /nfs/dbraw/zinc/15/23/22/940152322.db2.gz BLYFUYNNUICFLV-MRXNPFEDSA-N 2 2 372.875 3.748 20 30 FHEDLP CCOCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181476540 941328504 /nfs/dbraw/zinc/32/85/04/941328504.db2.gz IXEFVPKZKISULK-UHFFFAOYSA-N 2 2 363.505 3.849 20 30 FHEDLP N#Cc1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420903297 942246516 /nfs/dbraw/zinc/24/65/16/942246516.db2.gz NYVXMASWWVGVPL-UHFFFAOYSA-N 2 2 361.489 3.555 20 30 FHEDLP N#Cc1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420903297 942246519 /nfs/dbraw/zinc/24/65/19/942246519.db2.gz NYVXMASWWVGVPL-UHFFFAOYSA-N 2 2 361.489 3.555 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435424069 943404384 /nfs/dbraw/zinc/40/43/84/943404384.db2.gz XTRRFSFHPCKUED-GOSISDBHSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435424069 943404387 /nfs/dbraw/zinc/40/43/87/943404387.db2.gz XTRRFSFHPCKUED-GOSISDBHSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624375 944580317 /nfs/dbraw/zinc/58/03/17/944580317.db2.gz HPCJHTPLIWRPPK-QHCPKHFHSA-N 2 2 366.505 3.632 20 30 FHEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624375 944580320 /nfs/dbraw/zinc/58/03/20/944580320.db2.gz HPCJHTPLIWRPPK-QHCPKHFHSA-N 2 2 366.505 3.632 20 30 FHEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303267446 946534876 /nfs/dbraw/zinc/53/48/76/946534876.db2.gz XGXMPEJFYYFIIT-YJBOKZPZSA-N 2 2 356.539 3.550 20 30 FHEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303267446 946534882 /nfs/dbraw/zinc/53/48/82/946534882.db2.gz XGXMPEJFYYFIIT-YJBOKZPZSA-N 2 2 356.539 3.550 20 30 FHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000182073086 948493775 /nfs/dbraw/zinc/49/37/75/948493775.db2.gz ZKKDVNNKHFFLKP-VGSWGCGISA-N 2 2 361.489 3.677 20 30 FHEDLP COc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602507459 567988893 /nfs/dbraw/zinc/98/88/93/567988893.db2.gz JMGMOVXZEMSHKR-RXVVDRJESA-N 2 2 371.525 3.521 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602618138 567998265 /nfs/dbraw/zinc/99/82/65/567998265.db2.gz CWYJSNLZZQLRPY-WIYYLYMNSA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602618138 567998266 /nfs/dbraw/zinc/99/82/66/567998266.db2.gz CWYJSNLZZQLRPY-WIYYLYMNSA-N 2 2 355.526 3.586 20 30 FHEDLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838276 936200819 /nfs/dbraw/zinc/20/08/19/936200819.db2.gz BYDQDIJHQDFDML-PKTZIBPZSA-N 2 2 363.505 3.845 20 30 FHEDLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838276 936200823 /nfs/dbraw/zinc/20/08/23/936200823.db2.gz BYDQDIJHQDFDML-PKTZIBPZSA-N 2 2 363.505 3.845 20 30 FHEDLP N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000092071619 940311094 /nfs/dbraw/zinc/31/10/94/940311094.db2.gz IDSLQPDOFGQDIH-GOSISDBHSA-N 2 2 360.465 3.566 20 30 FHEDLP N#CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000092071619 940311096 /nfs/dbraw/zinc/31/10/96/940311096.db2.gz IDSLQPDOFGQDIH-GOSISDBHSA-N 2 2 360.465 3.566 20 30 FHEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000421376691 942526557 /nfs/dbraw/zinc/52/65/57/942526557.db2.gz FHKQTCYSRIHSFN-UHFFFAOYSA-N 2 2 355.379 3.592 20 30 FHEDLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558085856 943482629 /nfs/dbraw/zinc/48/26/29/943482629.db2.gz XKUPIQCTAOHLML-UHFFFAOYSA-N 2 2 364.331 3.873 20 30 FHEDLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558085856 943482632 /nfs/dbraw/zinc/48/26/32/943482632.db2.gz XKUPIQCTAOHLML-UHFFFAOYSA-N 2 2 364.331 3.873 20 30 FHEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929126 /nfs/dbraw/zinc/92/91/26/943929126.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929128 /nfs/dbraw/zinc/92/91/28/943929128.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929135 /nfs/dbraw/zinc/92/91/35/943929135.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929137 /nfs/dbraw/zinc/92/91/37/943929137.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 2 2 354.416 3.741 20 30 FHEDLP N#Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055598 /nfs/dbraw/zinc/05/55/98/945055598.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055609 /nfs/dbraw/zinc/05/56/09/945055609.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055620 /nfs/dbraw/zinc/05/56/20/945055620.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055631 /nfs/dbraw/zinc/05/56/31/945055631.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 2 370.500 3.765 20 30 FHEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C#N)ccc1F ZINC000184754816 948376355 /nfs/dbraw/zinc/37/63/55/948376355.db2.gz JFRMCKQROVMIIV-IRXDYDNUSA-N 2 2 351.469 3.944 20 30 FHEDLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000549626480 948378877 /nfs/dbraw/zinc/37/88/77/948378877.db2.gz SBBNNRYXISFPLV-RMFSNUHRSA-N 2 2 355.526 3.706 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602618137 567998291 /nfs/dbraw/zinc/99/82/91/567998291.db2.gz CWYJSNLZZQLRPY-RXVVDRJESA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602618137 567998292 /nfs/dbraw/zinc/99/82/92/567998292.db2.gz CWYJSNLZZQLRPY-RXVVDRJESA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@@H](CCC#N)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000602661559 568012461 /nfs/dbraw/zinc/01/24/61/568012461.db2.gz FHAVMPJGRKYUET-AWEZNQCLSA-N 2 2 365.275 3.681 20 30 FHEDLP C[C@@H](CCC#N)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000602661559 568012463 /nfs/dbraw/zinc/01/24/63/568012463.db2.gz FHAVMPJGRKYUET-AWEZNQCLSA-N 2 2 365.275 3.681 20 30 FHEDLP CCC1([NH+](C)C)CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000602738331 568020441 /nfs/dbraw/zinc/02/04/41/568020441.db2.gz IDFZXWFICGQSJS-UHFFFAOYSA-N 2 2 365.525 3.770 20 30 FHEDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484995 568488126 /nfs/dbraw/zinc/48/81/26/568488126.db2.gz OSGNWKPXLZNJIQ-HSZRJFAPSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484995 568488127 /nfs/dbraw/zinc/48/81/27/568488127.db2.gz OSGNWKPXLZNJIQ-HSZRJFAPSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484995 568488129 /nfs/dbraw/zinc/48/81/29/568488129.db2.gz OSGNWKPXLZNJIQ-HSZRJFAPSA-N 2 2 361.489 3.665 20 30 FHEDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484995 568488130 /nfs/dbraw/zinc/48/81/30/568488130.db2.gz OSGNWKPXLZNJIQ-HSZRJFAPSA-N 2 2 361.489 3.665 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410902 /nfs/dbraw/zinc/41/09/02/929410902.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 3 2 353.554 3.527 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410910 /nfs/dbraw/zinc/41/09/10/929410910.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 3 2 353.554 3.527 20 30 FHEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416178 /nfs/dbraw/zinc/41/61/78/938416178.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416180 /nfs/dbraw/zinc/41/61/80/938416180.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416183 /nfs/dbraw/zinc/41/61/83/938416183.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416185 /nfs/dbraw/zinc/41/61/85/938416185.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 2 354.416 3.599 20 30 FHEDLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000584321202 939906773 /nfs/dbraw/zinc/90/67/73/939906773.db2.gz KKMFSFOTTATLRB-UHFFFAOYSA-N 2 2 355.526 3.709 20 30 FHEDLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OCCCC#N ZINC000377830232 942023159 /nfs/dbraw/zinc/02/31/59/942023159.db2.gz BXUOHMANJWVVKO-SFHVURJKSA-N 2 2 368.481 3.550 20 30 FHEDLP N#Cc1ccc(N2CCC([NH2+][C@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423398992 943503189 /nfs/dbraw/zinc/50/31/89/943503189.db2.gz PGZYNELMBXVLKK-XMMPIXPASA-N 2 2 370.500 3.970 20 30 FHEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929090 /nfs/dbraw/zinc/92/90/90/943929090.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929095 /nfs/dbraw/zinc/92/90/95/943929095.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929099 /nfs/dbraw/zinc/92/90/99/943929099.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929107 /nfs/dbraw/zinc/92/91/07/943929107.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 2 2 354.416 3.741 20 30 FHEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(F)c1C#N ZINC000428344816 945840014 /nfs/dbraw/zinc/84/00/14/945840014.db2.gz HFPGPLPUBHRFOT-IAGOWNOFSA-N 2 2 351.469 3.944 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066906001 946593147 /nfs/dbraw/zinc/59/31/47/946593147.db2.gz JAZJWVZMIUONTF-UHFFFAOYSA-N 2 2 361.489 3.877 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005430 567835886 /nfs/dbraw/zinc/83/58/86/567835886.db2.gz CVRYBWXJOVDKPY-JTWUUNPKSA-N 2 2 361.917 3.752 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005430 567835887 /nfs/dbraw/zinc/83/58/87/567835887.db2.gz CVRYBWXJOVDKPY-JTWUUNPKSA-N 2 2 361.917 3.752 20 30 FHEDLP CC[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000602512710 567989429 /nfs/dbraw/zinc/98/94/29/567989429.db2.gz SICKMBNZOIAQTF-GHTZIAJQSA-N 2 2 355.526 3.512 20 30 FHEDLP CC[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000602512710 567989430 /nfs/dbraw/zinc/98/94/30/567989430.db2.gz SICKMBNZOIAQTF-GHTZIAJQSA-N 2 2 355.526 3.512 20 30 FHEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325360 /nfs/dbraw/zinc/32/53/60/571325360.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325361 /nfs/dbraw/zinc/32/53/61/571325361.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325362 /nfs/dbraw/zinc/32/53/62/571325362.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325363 /nfs/dbraw/zinc/32/53/63/571325363.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 2 2 365.525 3.758 20 30 FHEDLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)o1 ZINC000119027120 930543631 /nfs/dbraw/zinc/54/36/31/930543631.db2.gz TZHBSOBOKJMZSE-UHFFFAOYSA-N 2 2 364.449 3.839 20 30 FHEDLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)o1 ZINC000119027120 930543638 /nfs/dbraw/zinc/54/36/38/930543638.db2.gz TZHBSOBOKJMZSE-UHFFFAOYSA-N 2 2 364.449 3.839 20 30 FHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581333532 931848006 /nfs/dbraw/zinc/84/80/06/931848006.db2.gz JYGBVOCZQOEZOX-UHFFFAOYSA-N 2 2 360.461 3.701 20 30 FHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581333532 931848009 /nfs/dbraw/zinc/84/80/09/931848009.db2.gz JYGBVOCZQOEZOX-UHFFFAOYSA-N 2 2 360.461 3.701 20 30 FHEDLP Oc1ccccc1/C=[NH+]\CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000255294492 931871962 /nfs/dbraw/zinc/87/19/62/931871962.db2.gz LDPDHBSRQYFFQN-QJOMJCCJSA-N 2 2 352.478 3.882 20 30 FHEDLP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000378545415 942878451 /nfs/dbraw/zinc/87/84/51/942878451.db2.gz NSZFEGKFGXGHEP-HXUWFJFHSA-N 2 2 366.534 3.955 20 30 FHEDLP C[C@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000549626482 948379801 /nfs/dbraw/zinc/37/98/01/948379801.db2.gz SBBNNRYXISFPLV-ROUUACIJSA-N 2 2 355.526 3.706 20 30 FHEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000187464315 932893624 /nfs/dbraw/zinc/89/36/24/932893624.db2.gz ALPJDJOOXSOZFH-UHFFFAOYSA-N 2 2 361.917 3.536 20 30 FHEDLP C[NH+](C)Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)c2c1OC(F)(F)O2 ZINC001203156478 935199436 /nfs/dbraw/zinc/19/94/36/935199436.db2.gz ZRSLCGUYJKTEEB-UHFFFAOYSA-N 2 2 365.424 3.633 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786917 939067635 /nfs/dbraw/zinc/06/76/35/939067635.db2.gz DLCVBLQUMFTISS-LJQANCHMSA-N 2 2 365.481 3.544 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786917 939067637 /nfs/dbraw/zinc/06/76/37/939067637.db2.gz DLCVBLQUMFTISS-LJQANCHMSA-N 2 2 365.481 3.544 20 30 FHEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164480 941569061 /nfs/dbraw/zinc/56/90/61/941569061.db2.gz GQISCYRSOCKFOV-JOCHJYFZSA-N 2 2 363.505 3.957 20 30 FHEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164480 941569069 /nfs/dbraw/zinc/56/90/69/941569069.db2.gz GQISCYRSOCKFOV-JOCHJYFZSA-N 2 2 363.505 3.957 20 30 FHEDLP C=CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420907930 942248180 /nfs/dbraw/zinc/24/81/80/942248180.db2.gz WBPNOCTVCLVASL-UHFFFAOYSA-N 2 2 361.489 3.579 20 30 FHEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775722 942342996 /nfs/dbraw/zinc/34/29/96/942342996.db2.gz WJIVOPQFCGBDOI-IFXJQAMLSA-N 2 2 372.875 3.746 20 30 FHEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775722 942343000 /nfs/dbraw/zinc/34/30/00/942343000.db2.gz WJIVOPQFCGBDOI-IFXJQAMLSA-N 2 2 372.875 3.746 20 30 FHEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775724 942343131 /nfs/dbraw/zinc/34/31/31/942343131.db2.gz WJIVOPQFCGBDOI-LIRRHRJNSA-N 2 2 372.875 3.746 20 30 FHEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775724 942343137 /nfs/dbraw/zinc/34/31/37/942343137.db2.gz WJIVOPQFCGBDOI-LIRRHRJNSA-N 2 2 372.875 3.746 20 30 FHEDLP CCOc1ccc(C[N@H+](CCCSCC#N)CCCn2cc[nH+]c2)cc1 ZINC000271746894 943044847 /nfs/dbraw/zinc/04/48/47/943044847.db2.gz XQUJJFOZXACQDK-UHFFFAOYSA-N 2 2 372.538 3.821 20 30 FHEDLP CCOc1ccc(C[N@@H+](CCCSCC#N)CCCn2cc[nH+]c2)cc1 ZINC000271746894 943044857 /nfs/dbraw/zinc/04/48/57/943044857.db2.gz XQUJJFOZXACQDK-UHFFFAOYSA-N 2 2 372.538 3.821 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433618 943396982 /nfs/dbraw/zinc/39/69/82/943396982.db2.gz SYRIHIIBFVOZJL-IBGZPJMESA-N 2 2 369.534 3.852 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433618 943396986 /nfs/dbraw/zinc/39/69/86/943396986.db2.gz SYRIHIIBFVOZJL-IBGZPJMESA-N 2 2 369.534 3.852 20 30 FHEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143212 944206053 /nfs/dbraw/zinc/20/60/53/944206053.db2.gz ICVAMXUXEOFJFO-SFHVURJKSA-N 2 2 366.534 3.948 20 30 FHEDLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143212 944206060 /nfs/dbraw/zinc/20/60/60/944206060.db2.gz ICVAMXUXEOFJFO-SFHVURJKSA-N 2 2 366.534 3.948 20 30 FHEDLP c1c(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)[nH+]c2n1CCCC2 ZINC000261968059 944251928 /nfs/dbraw/zinc/25/19/28/944251928.db2.gz BZUPTMSEMYIEGK-UHFFFAOYSA-N 2 2 351.498 3.716 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000281836591 945884251 /nfs/dbraw/zinc/88/42/51/945884251.db2.gz AHNZDQUJELWTQP-UHFFFAOYSA-N 2 2 366.531 3.620 20 30 FHEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565442 /nfs/dbraw/zinc/56/54/42/946565442.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565445 /nfs/dbraw/zinc/56/54/45/946565445.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565447 /nfs/dbraw/zinc/56/54/47/946565447.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565455 /nfs/dbraw/zinc/56/54/55/946565455.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 2 2 361.436 3.608 20 30 FHEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303877621 946722509 /nfs/dbraw/zinc/72/25/09/946722509.db2.gz FLRNJRQGRRYMDH-GOSISDBHSA-N 2 2 356.539 3.504 20 30 FHEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303877621 946722497 /nfs/dbraw/zinc/72/24/97/946722497.db2.gz FLRNJRQGRRYMDH-GOSISDBHSA-N 2 2 356.539 3.504 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754952 947011864 /nfs/dbraw/zinc/01/18/64/947011864.db2.gz DXWZWUIWUIMCGW-DYESRHJHSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754952 947011871 /nfs/dbraw/zinc/01/18/71/947011871.db2.gz DXWZWUIWUIMCGW-DYESRHJHSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754952 947011875 /nfs/dbraw/zinc/01/18/75/947011875.db2.gz DXWZWUIWUIMCGW-DYESRHJHSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000328754952 947011881 /nfs/dbraw/zinc/01/18/81/947011881.db2.gz DXWZWUIWUIMCGW-DYESRHJHSA-N 2 2 372.513 3.612 20 30 FHEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 ZINC000182073098 948493716 /nfs/dbraw/zinc/49/37/16/948493716.db2.gz ZKKDVNNKHFFLKP-HTAPYJJXSA-N 2 2 361.489 3.677 20 30 FHEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928768 568189565 /nfs/dbraw/zinc/18/95/65/568189565.db2.gz BDOIHWVYSOGQGX-NRFANRHFSA-N 2 2 355.526 3.805 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000182031542 568560390 /nfs/dbraw/zinc/56/03/90/568560390.db2.gz NOFHKVKBUDQBQB-OAQYLSRUSA-N 2 2 353.510 3.604 20 30 FHEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116383854 929601214 /nfs/dbraw/zinc/60/12/14/929601214.db2.gz BWAMLCGKZYLJDH-GCJKJVERSA-N 2 2 351.494 3.647 20 30 FHEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116383854 929601222 /nfs/dbraw/zinc/60/12/22/929601222.db2.gz BWAMLCGKZYLJDH-GCJKJVERSA-N 2 2 351.494 3.647 20 30 FHEDLP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000104167913 935004209 /nfs/dbraw/zinc/00/42/09/935004209.db2.gz IJPPVNWUSNVBCH-LJQANCHMSA-N 2 2 358.461 3.642 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1 ZINC000657311629 935105505 /nfs/dbraw/zinc/10/55/05/935105505.db2.gz PTSGNIRFDFPLKO-SFHVURJKSA-N 2 2 353.514 3.518 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000657311629 935105507 /nfs/dbraw/zinc/10/55/07/935105507.db2.gz PTSGNIRFDFPLKO-SFHVURJKSA-N 2 2 353.514 3.518 20 30 FHEDLP C[NH+]1CCC(C/N=C\c2c(O)ccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000255547908 936084737 /nfs/dbraw/zinc/08/47/37/936084737.db2.gz YAAQSNDCYYDAJG-ULJHMMPZSA-N 2 2 365.521 3.915 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797013 939903886 /nfs/dbraw/zinc/90/38/86/939903886.db2.gz TXNIJSRIXYMPQM-SJLPKXTDSA-N 2 2 365.481 3.542 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797013 939903895 /nfs/dbraw/zinc/90/38/95/939903895.db2.gz TXNIJSRIXYMPQM-SJLPKXTDSA-N 2 2 365.481 3.542 20 30 FHEDLP CC[C@](C)([NH2+]CC#CC[NH2+][C@@](C)(CC)c1nccs1)c1nccs1 ZINC000472572512 940877969 /nfs/dbraw/zinc/87/79/69/940877969.db2.gz AJXISWZXQCOKAW-ROUUACIJSA-N 2 2 362.568 3.733 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197740 942378177 /nfs/dbraw/zinc/37/81/77/942378177.db2.gz CWHIMIQWQDTGFA-YYFZDKIDSA-N 2 2 371.916 3.679 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197740 942378181 /nfs/dbraw/zinc/37/81/81/942378181.db2.gz CWHIMIQWQDTGFA-YYFZDKIDSA-N 2 2 371.916 3.679 20 30 FHEDLP CN(C(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000273329005 942932850 /nfs/dbraw/zinc/93/28/50/942932850.db2.gz JAIWIJHYTOZEGS-UHFFFAOYSA-N 2 2 359.477 3.507 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000423351110 943487087 /nfs/dbraw/zinc/48/70/87/943487087.db2.gz HNBWKFSOAHBOJV-QHCPKHFHSA-N 2 2 360.505 3.772 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423522291 943545722 /nfs/dbraw/zinc/54/57/22/943545722.db2.gz UOKDUPTZRSXANR-HSZRJFAPSA-N 3 2 362.521 3.592 20 30 FHEDLP CC[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970581 944363495 /nfs/dbraw/zinc/36/34/95/944363495.db2.gz MOIQVXXJFYGVSQ-IRXDYDNUSA-N 2 2 373.570 3.771 20 30 FHEDLP N#Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055736 /nfs/dbraw/zinc/05/57/36/945055736.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055744 /nfs/dbraw/zinc/05/57/44/945055744.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055750 /nfs/dbraw/zinc/05/57/50/945055750.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055763 /nfs/dbraw/zinc/05/57/63/945055763.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 2 370.500 3.765 20 30 FHEDLP Cc1ccc(CNC(Nc2ccccc2)=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000487501601 946738191 /nfs/dbraw/zinc/73/81/91/946738191.db2.gz OFWMVBNXQMCQNI-HXUWFJFHSA-N 2 2 359.477 3.764 20 30 FHEDLP COc1cccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000602505250 567988679 /nfs/dbraw/zinc/98/86/79/567988679.db2.gz YFBCGWPTTGDGBO-GHTZIAJQSA-N 2 2 371.525 3.521 20 30 FHEDLP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182060152 568707196 /nfs/dbraw/zinc/70/71/96/568707196.db2.gz RWIPRGRYTPLEJL-HNNXBMFYSA-N 2 2 352.482 3.521 20 30 FHEDLP C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245681878 938310271 /nfs/dbraw/zinc/31/02/71/938310271.db2.gz HMELYFURWIBMFO-LEWJYISDSA-N 2 2 361.574 3.550 20 30 FHEDLP C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245681878 938310272 /nfs/dbraw/zinc/31/02/72/938310272.db2.gz HMELYFURWIBMFO-LEWJYISDSA-N 2 2 361.574 3.550 20 30 FHEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)c2)c1 ZINC000377790566 941991926 /nfs/dbraw/zinc/99/19/26/941991926.db2.gz WWRRCKKDYNIBDS-IBGZPJMESA-N 2 2 358.445 3.507 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197737 942377595 /nfs/dbraw/zinc/37/75/95/942377595.db2.gz CWHIMIQWQDTGFA-DKICVRJWSA-N 2 2 371.916 3.679 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197737 942377596 /nfs/dbraw/zinc/37/75/96/942377596.db2.gz CWHIMIQWQDTGFA-DKICVRJWSA-N 2 2 371.916 3.679 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433620 943397026 /nfs/dbraw/zinc/39/70/26/943397026.db2.gz SYRIHIIBFVOZJL-LJQANCHMSA-N 2 2 369.534 3.852 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433620 943397031 /nfs/dbraw/zinc/39/70/31/943397031.db2.gz SYRIHIIBFVOZJL-LJQANCHMSA-N 2 2 369.534 3.852 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381373 943496784 /nfs/dbraw/zinc/49/67/84/943496784.db2.gz ZNVFYIFHSQPZLM-MAODMQOUSA-N 2 2 353.416 3.559 20 30 FHEDLP N#Cc1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036237 945056187 /nfs/dbraw/zinc/05/61/87/945056187.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036237 945056192 /nfs/dbraw/zinc/05/61/92/945056192.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036237 945056204 /nfs/dbraw/zinc/05/62/04/945056204.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036237 945056213 /nfs/dbraw/zinc/05/62/13/945056213.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 2 370.500 3.765 20 30 FHEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000441147512 946271719 /nfs/dbraw/zinc/27/17/19/946271719.db2.gz QMLKNXMFZYQYDD-HDICACEKSA-N 2 2 360.929 3.513 20 30 FHEDLP C[C@@H]1C[N@H+](CC2CC[NH+](CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000441147512 946271732 /nfs/dbraw/zinc/27/17/32/946271732.db2.gz QMLKNXMFZYQYDD-HDICACEKSA-N 2 2 360.929 3.513 20 30 FHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000248395466 947698333 /nfs/dbraw/zinc/69/83/33/947698333.db2.gz JFRMCKQROVMIIV-YPGOJHLTSA-N 2 2 351.469 3.944 20 30 FHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000248395466 947698337 /nfs/dbraw/zinc/69/83/37/947698337.db2.gz JFRMCKQROVMIIV-YPGOJHLTSA-N 2 2 351.469 3.944 20 30 FHEDLP C=CC[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000662690648 947987274 /nfs/dbraw/zinc/98/72/74/947987274.db2.gz DGYHKDSCSPKWBP-NRFANRHFSA-N 2 2 350.466 3.523 20 30 FHEDLP CN(CCC#N)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895111138 948662622 /nfs/dbraw/zinc/66/26/22/948662622.db2.gz NKEAKTKCAIGUIU-XUTJKUGGSA-N 2 2 363.509 3.708 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000602526374 567987812 /nfs/dbraw/zinc/98/78/12/567987812.db2.gz VYXFCYCBAOCEDC-PZJWPPBQSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000602526374 567987813 /nfs/dbraw/zinc/98/78/13/567987813.db2.gz VYXFCYCBAOCEDC-PZJWPPBQSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000602677318 568009212 /nfs/dbraw/zinc/00/92/12/568009212.db2.gz XKONFLPOUJSKRD-IBGZPJMESA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000602677318 568009213 /nfs/dbraw/zinc/00/92/13/568009213.db2.gz XKONFLPOUJSKRD-IBGZPJMESA-N 2 2 355.526 3.730 20 30 FHEDLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1OCCCC#N ZINC000602734220 568025772 /nfs/dbraw/zinc/02/57/72/568025772.db2.gz OHJCGBRWFGWKSZ-UHFFFAOYSA-N 2 2 371.525 3.828 20 30 FHEDLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181868285 568036898 /nfs/dbraw/zinc/03/68/98/568036898.db2.gz LOBZWDIQXCTBDX-HSZRJFAPSA-N 2 2 362.521 3.947 20 30 FHEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181998499 568372727 /nfs/dbraw/zinc/37/27/27/568372727.db2.gz YKHHKWHYKHMHCZ-JOCHJYFZSA-N 2 2 367.468 3.639 20 30 FHEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181998483 568372750 /nfs/dbraw/zinc/37/27/50/568372750.db2.gz YKHHKWHYKHMHCZ-QFIPXVFZSA-N 2 2 367.468 3.639 20 30 FHEDLP C[C@@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537295581 930904928 /nfs/dbraw/zinc/90/49/28/930904928.db2.gz MSRGAGNCSSYOBP-KRWDZBQOSA-N 2 2 367.468 3.719 20 30 FHEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000160603037 931033991 /nfs/dbraw/zinc/03/39/91/931033991.db2.gz POWAHYAHLAJUJT-LBPRGKRZSA-N 2 2 372.416 3.676 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797014 939903843 /nfs/dbraw/zinc/90/38/43/939903843.db2.gz TXNIJSRIXYMPQM-WMZOPIPTSA-N 2 2 365.481 3.542 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797014 939903844 /nfs/dbraw/zinc/90/38/44/939903844.db2.gz TXNIJSRIXYMPQM-WMZOPIPTSA-N 2 2 365.481 3.542 20 30 FHEDLP C=CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434007285 942044964 /nfs/dbraw/zinc/04/49/64/942044964.db2.gz UOQOFJAVPAVGBF-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434007285 942044970 /nfs/dbraw/zinc/04/49/70/942044970.db2.gz UOQOFJAVPAVGBF-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434007285 942044975 /nfs/dbraw/zinc/04/49/75/942044975.db2.gz UOQOFJAVPAVGBF-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434007285 942044980 /nfs/dbraw/zinc/04/49/80/942044980.db2.gz UOQOFJAVPAVGBF-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182092088 942204380 /nfs/dbraw/zinc/20/43/80/942204380.db2.gz UZMLMBUUSFAVBQ-GOSISDBHSA-N 2 2 369.509 3.838 20 30 FHEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182092088 942204386 /nfs/dbraw/zinc/20/43/86/942204386.db2.gz UZMLMBUUSFAVBQ-GOSISDBHSA-N 2 2 369.509 3.838 20 30 FHEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775721 942342884 /nfs/dbraw/zinc/34/28/84/942342884.db2.gz WJIVOPQFCGBDOI-AUUYWEPGSA-N 2 2 372.875 3.746 20 30 FHEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775721 942342889 /nfs/dbraw/zinc/34/28/89/942342889.db2.gz WJIVOPQFCGBDOI-AUUYWEPGSA-N 2 2 372.875 3.746 20 30 FHEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143211 944206236 /nfs/dbraw/zinc/20/62/36/944206236.db2.gz ICVAMXUXEOFJFO-GOSISDBHSA-N 2 2 366.534 3.948 20 30 FHEDLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143211 944206241 /nfs/dbraw/zinc/20/62/41/944206241.db2.gz ICVAMXUXEOFJFO-GOSISDBHSA-N 2 2 366.534 3.948 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000517559651 944392027 /nfs/dbraw/zinc/39/20/27/944392027.db2.gz LGPNVBAVGHNADI-UHFFFAOYSA-N 2 2 350.890 3.631 20 30 FHEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(F)c1C#N ZINC000428344817 945839408 /nfs/dbraw/zinc/83/94/08/945839408.db2.gz HFPGPLPUBHRFOT-IRXDYDNUSA-N 2 2 351.469 3.944 20 30 FHEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000066905337 946495822 /nfs/dbraw/zinc/49/58/22/946495822.db2.gz JSWSUTXPDBBZNG-XZOQPEGZSA-N 2 2 361.489 3.854 20 30 FHEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000066905337 946495829 /nfs/dbraw/zinc/49/58/29/946495829.db2.gz JSWSUTXPDBBZNG-XZOQPEGZSA-N 2 2 361.489 3.854 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005429 567835896 /nfs/dbraw/zinc/83/58/96/567835896.db2.gz CVRYBWXJOVDKPY-DOHHPOSVSA-N 2 2 361.917 3.752 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005429 567835897 /nfs/dbraw/zinc/83/58/97/567835897.db2.gz CVRYBWXJOVDKPY-DOHHPOSVSA-N 2 2 361.917 3.752 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181850409 567838468 /nfs/dbraw/zinc/83/84/68/567838468.db2.gz IGNMYZCQBBPVRU-PKTZIBPZSA-N 2 2 361.489 3.642 20 30 FHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503241 567988553 /nfs/dbraw/zinc/98/85/53/567988553.db2.gz PCVSYDZKHPSAGS-WIYYLYMNSA-N 2 2 373.541 3.767 20 30 FHEDLP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181868306 568030678 /nfs/dbraw/zinc/03/06/78/568030678.db2.gz LOBZWDIQXCTBDX-QHCPKHFHSA-N 2 2 362.521 3.947 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979976 568036844 /nfs/dbraw/zinc/03/68/44/568036844.db2.gz JWTRMRSXICUPIX-YHBROIRLSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979976 568036845 /nfs/dbraw/zinc/03/68/45/568036845.db2.gz JWTRMRSXICUPIX-YHBROIRLSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@@H]1C#N ZINC000602979976 568036846 /nfs/dbraw/zinc/03/68/46/568036846.db2.gz JWTRMRSXICUPIX-YHBROIRLSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@@H]1C#N ZINC000602979976 568036847 /nfs/dbraw/zinc/03/68/47/568036847.db2.gz JWTRMRSXICUPIX-YHBROIRLSA-N 2 2 350.510 3.935 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000182031561 568560411 /nfs/dbraw/zinc/56/04/11/568560411.db2.gz NOFHKVKBUDQBQB-NRFANRHFSA-N 2 2 353.510 3.604 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236662825 934761657 /nfs/dbraw/zinc/76/16/57/934761657.db2.gz SROGPVGEBULMSC-UHFFFAOYSA-N 2 2 361.489 3.877 20 30 FHEDLP CCSc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000187795634 936015772 /nfs/dbraw/zinc/01/57/72/936015772.db2.gz HXMQUNIXUFXKQT-UHFFFAOYSA-N 2 2 366.534 3.819 20 30 FHEDLP C[C@]1(C#N)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612163005 939162449 /nfs/dbraw/zinc/16/24/49/939162449.db2.gz MXAZGLFNJLMMLK-FGZHOGPDSA-N 2 2 350.510 3.938 20 30 FHEDLP C[C@]1(C#N)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612163005 939162451 /nfs/dbraw/zinc/16/24/51/939162451.db2.gz MXAZGLFNJLMMLK-FGZHOGPDSA-N 2 2 350.510 3.938 20 30 FHEDLP C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000628280918 940157481 /nfs/dbraw/zinc/15/74/81/940157481.db2.gz PENGSSIMUJWFAQ-FUHWJXTLSA-N 2 2 364.917 3.830 20 30 FHEDLP C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000628280918 940157483 /nfs/dbraw/zinc/15/74/83/940157483.db2.gz PENGSSIMUJWFAQ-FUHWJXTLSA-N 2 2 364.917 3.830 20 30 FHEDLP C=CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000628280918 940157490 /nfs/dbraw/zinc/15/74/90/940157490.db2.gz PENGSSIMUJWFAQ-FUHWJXTLSA-N 2 2 364.917 3.830 20 30 FHEDLP C=CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000628280918 940157493 /nfs/dbraw/zinc/15/74/93/940157493.db2.gz PENGSSIMUJWFAQ-FUHWJXTLSA-N 2 2 364.917 3.830 20 30 FHEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164483 941568959 /nfs/dbraw/zinc/56/89/59/941568959.db2.gz GQISCYRSOCKFOV-QFIPXVFZSA-N 2 2 363.505 3.957 20 30 FHEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164483 941568963 /nfs/dbraw/zinc/56/89/63/941568963.db2.gz GQISCYRSOCKFOV-QFIPXVFZSA-N 2 2 363.505 3.957 20 30 FHEDLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OCCCC#N ZINC000377830231 942023118 /nfs/dbraw/zinc/02/31/18/942023118.db2.gz BXUOHMANJWVVKO-GOSISDBHSA-N 2 2 368.481 3.550 20 30 FHEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182092106 942204497 /nfs/dbraw/zinc/20/44/97/942204497.db2.gz UZMLMBUUSFAVBQ-SFHVURJKSA-N 2 2 369.509 3.838 20 30 FHEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182092106 942204504 /nfs/dbraw/zinc/20/45/04/942204504.db2.gz UZMLMBUUSFAVBQ-SFHVURJKSA-N 2 2 369.509 3.838 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000181586242 942775549 /nfs/dbraw/zinc/77/55/49/942775549.db2.gz UNZMQCWQGUEZQB-UHFFFAOYSA-N 2 2 373.504 3.621 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000423351105 943486885 /nfs/dbraw/zinc/48/68/85/943486885.db2.gz HNBWKFSOAHBOJV-HSZRJFAPSA-N 2 2 360.505 3.772 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381374 943496679 /nfs/dbraw/zinc/49/66/79/943496679.db2.gz ZNVFYIFHSQPZLM-ZLGUVYLKSA-N 2 2 353.416 3.559 20 30 FHEDLP N#Cc1ccc(N2CCC([NH2+][C@@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423398969 943503039 /nfs/dbraw/zinc/50/30/39/943503039.db2.gz PGZYNELMBXVLKK-DEOSSOPVSA-N 2 2 370.500 3.970 20 30 FHEDLP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000066905627 946586566 /nfs/dbraw/zinc/58/65/66/946586566.db2.gz URBOLCSLHWFJRQ-SFHVURJKSA-N 2 2 360.461 3.760 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000106245786 946731836 /nfs/dbraw/zinc/73/18/36/946731836.db2.gz ZERMSPNVELFRLA-UHFFFAOYSA-N 2 2 356.489 3.758 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000602526372 567987776 /nfs/dbraw/zinc/98/77/76/567987776.db2.gz VYXFCYCBAOCEDC-CTNGQTDRSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000602526372 567987777 /nfs/dbraw/zinc/98/77/77/567987777.db2.gz VYXFCYCBAOCEDC-CTNGQTDRSA-N 2 2 355.526 3.730 20 30 FHEDLP COc1cccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000602505251 567988651 /nfs/dbraw/zinc/98/86/51/567988651.db2.gz YFBCGWPTTGDGBO-NQIIRXRSSA-N 2 2 371.525 3.521 20 30 FHEDLP Cc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602532107 567988820 /nfs/dbraw/zinc/98/88/20/567988820.db2.gz KCJSWJSYJMGWRW-FPOVZHCZSA-N 2 2 355.526 3.821 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979973 568036832 /nfs/dbraw/zinc/03/68/32/568036832.db2.gz JWTRMRSXICUPIX-GMQQQROESA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979973 568036833 /nfs/dbraw/zinc/03/68/33/568036833.db2.gz JWTRMRSXICUPIX-GMQQQROESA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602979973 568036834 /nfs/dbraw/zinc/03/68/34/568036834.db2.gz JWTRMRSXICUPIX-GMQQQROESA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602979973 568036835 /nfs/dbraw/zinc/03/68/35/568036835.db2.gz JWTRMRSXICUPIX-GMQQQROESA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979974 568036866 /nfs/dbraw/zinc/03/68/66/568036866.db2.gz JWTRMRSXICUPIX-MCEIDBOGSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602979974 568036868 /nfs/dbraw/zinc/03/68/68/568036868.db2.gz JWTRMRSXICUPIX-MCEIDBOGSA-N 2 2 350.510 3.935 20 30 FHEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160598185 931011917 /nfs/dbraw/zinc/01/19/17/931011917.db2.gz RDFGHXRPPGCZFH-HNNXBMFYSA-N 2 2 366.387 3.615 20 30 FHEDLP Cc1cnc(C(C)(C)[NH2+]CC#CC[NH2+]C(C)(C)c2ncc(C)s2)s1 ZINC000276506007 932507091 /nfs/dbraw/zinc/50/70/91/932507091.db2.gz DEABDQZNVLFJKI-UHFFFAOYSA-N 2 2 362.568 3.569 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657313190 935115814 /nfs/dbraw/zinc/11/58/14/935115814.db2.gz PMKUWGBXAJKXHJ-KDURUIRLSA-N 2 2 367.541 3.622 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657313190 935115817 /nfs/dbraw/zinc/11/58/17/935115817.db2.gz PMKUWGBXAJKXHJ-KDURUIRLSA-N 2 2 367.541 3.622 20 30 FHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411099 938576470 /nfs/dbraw/zinc/57/64/70/938576470.db2.gz YSNUNYGOJDDAIJ-YMPZKCBVSA-N 3 2 353.554 3.527 20 30 FHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411099 938576474 /nfs/dbraw/zinc/57/64/74/938576474.db2.gz YSNUNYGOJDDAIJ-YMPZKCBVSA-N 3 2 353.554 3.527 20 30 FHEDLP C[C@@]1(C#N)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2)C1 ZINC000612163021 939162370 /nfs/dbraw/zinc/16/23/70/939162370.db2.gz MXAZGLFNJLMMLK-VXKWHMMOSA-N 2 2 350.510 3.938 20 30 FHEDLP C[C@@]1(C#N)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2)C1 ZINC000612163021 939162372 /nfs/dbraw/zinc/16/23/72/939162372.db2.gz MXAZGLFNJLMMLK-VXKWHMMOSA-N 2 2 350.510 3.938 20 30 FHEDLP CC[C@@](C)([NH2+]CC#CC[NH2+][C@](C)(CC)c1nccs1)c1nccs1 ZINC000472572511 940878055 /nfs/dbraw/zinc/87/80/55/940878055.db2.gz AJXISWZXQCOKAW-QZTJIDSGSA-N 2 2 362.568 3.733 20 30 FHEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838275 940913648 /nfs/dbraw/zinc/91/36/48/940913648.db2.gz BYDQDIJHQDFDML-GOTSBHOMSA-N 2 2 363.505 3.845 20 30 FHEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838275 940913651 /nfs/dbraw/zinc/91/36/51/940913651.db2.gz BYDQDIJHQDFDML-GOTSBHOMSA-N 2 2 363.505 3.845 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000421369878 942521613 /nfs/dbraw/zinc/52/16/13/942521613.db2.gz CPCBISZIWOBEIL-IBGZPJMESA-N 2 2 355.551 3.646 20 30 FHEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624371 944580403 /nfs/dbraw/zinc/58/04/03/944580403.db2.gz HPCJHTPLIWRPPK-HSZRJFAPSA-N 2 2 366.505 3.632 20 30 FHEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390624371 944580406 /nfs/dbraw/zinc/58/04/06/944580406.db2.gz HPCJHTPLIWRPPK-HSZRJFAPSA-N 2 2 366.505 3.632 20 30 FHEDLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1C#N ZINC000440632100 947410974 /nfs/dbraw/zinc/41/09/74/947410974.db2.gz BPRFPGSJEVWTKC-OAQYLSRUSA-N 2 2 360.461 3.911 20 30 FHEDLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602532108 567988774 /nfs/dbraw/zinc/98/87/74/567988774.db2.gz KCJSWJSYJMGWRW-PZJWPPBQSA-N 2 2 355.526 3.821 20 30 FHEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000187712542 934863339 /nfs/dbraw/zinc/86/33/39/934863339.db2.gz SYQKKIGGSJMHCX-UHFFFAOYSA-N 2 2 367.456 3.884 20 30 FHEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416240 /nfs/dbraw/zinc/41/62/40/938416240.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416242 /nfs/dbraw/zinc/41/62/42/938416242.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416243 /nfs/dbraw/zinc/41/62/43/938416243.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 2 354.416 3.599 20 30 FHEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416244 /nfs/dbraw/zinc/41/62/44/938416244.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 2 354.416 3.599 20 30 FHEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(F)c(C#N)c2Cl)cn1 ZINC000365382237 940144616 /nfs/dbraw/zinc/14/46/16/940144616.db2.gz YHKNGXCDKAVMPH-UHFFFAOYSA-N 2 2 355.804 3.530 20 30 FHEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000582137499 940649679 /nfs/dbraw/zinc/64/96/79/940649679.db2.gz SITASPWYBZBORT-OAQYLSRUSA-N 2 2 370.460 3.550 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197739 942378006 /nfs/dbraw/zinc/37/80/06/942378006.db2.gz CWHIMIQWQDTGFA-UVFQYZLESA-N 2 2 371.916 3.679 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197739 942378010 /nfs/dbraw/zinc/37/80/10/942378010.db2.gz CWHIMIQWQDTGFA-UVFQYZLESA-N 2 2 371.916 3.679 20 30 FHEDLP N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411483 943169264 /nfs/dbraw/zinc/16/92/64/943169264.db2.gz GCDLCRLMQOANKD-LJQANCHMSA-N 2 2 364.493 3.740 20 30 FHEDLP N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411483 943169268 /nfs/dbraw/zinc/16/92/68/943169268.db2.gz GCDLCRLMQOANKD-LJQANCHMSA-N 2 2 364.493 3.740 20 30 FHEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423253218 943460104 /nfs/dbraw/zinc/46/01/04/943460104.db2.gz YRLKDOFHSDZUCG-QHCPKHFHSA-N 2 2 362.521 3.940 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349980 945639211 /nfs/dbraw/zinc/63/92/11/945639211.db2.gz KNVWFJNKTPGYPT-VMWRSERWSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349980 945639215 /nfs/dbraw/zinc/63/92/15/945639215.db2.gz KNVWFJNKTPGYPT-VMWRSERWSA-N 2 2 358.530 3.852 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000106245247 946731485 /nfs/dbraw/zinc/73/14/85/946731485.db2.gz AQTYJJDTNDAAJC-UHFFFAOYSA-N 2 2 355.438 3.985 20 30 FHEDLP Cc1ccc(CNC(Nc2ccccc2)=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000487501600 946738445 /nfs/dbraw/zinc/73/84/45/946738445.db2.gz OFWMVBNXQMCQNI-FQEVSTJZSA-N 2 2 359.477 3.764 20 30 FHEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)CC1 ZINC000328648867 946965525 /nfs/dbraw/zinc/96/55/25/946965525.db2.gz IIHAJKKIQGCWCE-UHFFFAOYSA-N 2 2 373.545 3.546 20 30 FHEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493895 567986437 /nfs/dbraw/zinc/98/64/37/567986437.db2.gz NBSHVLXNRSFHCI-IBGZPJMESA-N 2 2 370.541 3.648 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000602526375 567987899 /nfs/dbraw/zinc/98/78/99/567987899.db2.gz VYXFCYCBAOCEDC-TZIWHRDSSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000602526375 567987900 /nfs/dbraw/zinc/98/79/00/567987900.db2.gz VYXFCYCBAOCEDC-TZIWHRDSSA-N 2 2 355.526 3.730 20 30 FHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508507 567988981 /nfs/dbraw/zinc/98/89/81/567988981.db2.gz NBDYGHZOPYQQBO-FPOVZHCZSA-N 2 2 357.542 3.628 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539329 567992763 /nfs/dbraw/zinc/99/27/63/567992763.db2.gz JRDSQZRRANBRHR-UHFFFAOYSA-N 2 2 374.304 3.549 20 30 FHEDLP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912547 568178423 /nfs/dbraw/zinc/17/84/23/568178423.db2.gz BRTLPNCCOZTFFX-WZONZLPQSA-N 2 2 363.505 3.624 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410867 /nfs/dbraw/zinc/41/08/67/929410867.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 3 2 353.554 3.527 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410871 /nfs/dbraw/zinc/41/08/71/929410871.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 3 2 353.554 3.527 20 30 FHEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000518439197 944366628 /nfs/dbraw/zinc/36/66/28/944366628.db2.gz AXYXRZMGKVUMLR-GOSISDBHSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000518439197 944366638 /nfs/dbraw/zinc/36/66/38/944366638.db2.gz AXYXRZMGKVUMLR-GOSISDBHSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000518439197 944366644 /nfs/dbraw/zinc/36/66/44/944366644.db2.gz AXYXRZMGKVUMLR-GOSISDBHSA-N 2 2 369.534 3.891 20 30 FHEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000518439197 944366651 /nfs/dbraw/zinc/36/66/51/944366651.db2.gz AXYXRZMGKVUMLR-GOSISDBHSA-N 2 2 369.534 3.891 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754954 947012366 /nfs/dbraw/zinc/01/23/66/947012366.db2.gz DXWZWUIWUIMCGW-LAUBAEHRSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754954 947012375 /nfs/dbraw/zinc/01/23/75/947012375.db2.gz DXWZWUIWUIMCGW-LAUBAEHRSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754954 947012383 /nfs/dbraw/zinc/01/23/83/947012383.db2.gz DXWZWUIWUIMCGW-LAUBAEHRSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000328754954 947012393 /nfs/dbraw/zinc/01/23/93/947012393.db2.gz DXWZWUIWUIMCGW-LAUBAEHRSA-N 2 2 372.513 3.612 20 30 FHEDLP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181914251 568195514 /nfs/dbraw/zinc/19/55/14/568195514.db2.gz GBXIQKXBNAITAD-OXQOHEQNSA-N 2 2 369.534 3.686 20 30 FHEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661585 934839256 /nfs/dbraw/zinc/83/92/56/934839256.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661585 934839260 /nfs/dbraw/zinc/83/92/60/934839260.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661585 934839262 /nfs/dbraw/zinc/83/92/62/934839262.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661585 934839264 /nfs/dbraw/zinc/83/92/64/934839264.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 2 2 363.505 3.577 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657313191 935115564 /nfs/dbraw/zinc/11/55/64/935115564.db2.gz PMKUWGBXAJKXHJ-OALUTQOASA-N 2 2 367.541 3.622 20 30 FHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205376 941110884 /nfs/dbraw/zinc/11/08/84/941110884.db2.gz XJBBUHZGOCMGSK-HNNXBMFYSA-N 2 2 373.298 3.509 20 30 FHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205376 941110885 /nfs/dbraw/zinc/11/08/85/941110885.db2.gz XJBBUHZGOCMGSK-HNNXBMFYSA-N 2 2 373.298 3.509 20 30 FHEDLP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)C)cn1 ZINC000513324810 941848072 /nfs/dbraw/zinc/84/80/72/941848072.db2.gz CKDBEMSCDGJPIZ-NRFANRHFSA-N 2 2 365.525 3.633 20 30 FHEDLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000420901932 942245601 /nfs/dbraw/zinc/24/56/01/942245601.db2.gz LOCOMGZQWFOQSM-LJQANCHMSA-N 2 2 363.505 3.974 20 30 FHEDLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000420901932 942245607 /nfs/dbraw/zinc/24/56/07/942245607.db2.gz LOCOMGZQWFOQSM-LJQANCHMSA-N 2 2 363.505 3.974 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc1 ZINC000421369879 942522092 /nfs/dbraw/zinc/52/20/92/942522092.db2.gz CPCBISZIWOBEIL-LJQANCHMSA-N 2 2 355.551 3.646 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435390080 943377422 /nfs/dbraw/zinc/37/74/22/943377422.db2.gz NTJZNBRLHKCJAG-NRFANRHFSA-N 2 2 351.494 3.791 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435390080 943377428 /nfs/dbraw/zinc/37/74/28/943377428.db2.gz NTJZNBRLHKCJAG-NRFANRHFSA-N 2 2 351.494 3.791 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317812 945541026 /nfs/dbraw/zinc/54/10/26/945541026.db2.gz BXAUVGPSINOIIA-QGZVFWFLSA-N 2 2 369.513 3.500 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317812 945541034 /nfs/dbraw/zinc/54/10/34/945541034.db2.gz BXAUVGPSINOIIA-QGZVFWFLSA-N 2 2 369.513 3.500 20 30 FHEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822380 946025051 /nfs/dbraw/zinc/02/50/51/946025051.db2.gz UZUHABFRDOEUGK-PGRDOPGGSA-N 2 2 355.526 3.944 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000520294252 946373088 /nfs/dbraw/zinc/37/30/88/946373088.db2.gz ZEMXELWKCZTIHR-HXUWFJFHSA-N 2 2 355.551 3.887 20 30 FHEDLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328646269 946963920 /nfs/dbraw/zinc/96/39/20/946963920.db2.gz GSZZAFJUADECES-GOSISDBHSA-N 2 2 352.482 3.533 20 30 FHEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000512179928 948681711 /nfs/dbraw/zinc/68/17/11/948681711.db2.gz NEWZIAZZFIOZLV-UHFFFAOYSA-N 2 2 351.450 3.844 20 30 FHEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000512179928 948681716 /nfs/dbraw/zinc/68/17/16/948681716.db2.gz NEWZIAZZFIOZLV-UHFFFAOYSA-N 2 2 351.450 3.844 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000602677319 568009149 /nfs/dbraw/zinc/00/91/49/568009149.db2.gz XKONFLPOUJSKRD-LJQANCHMSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000602677319 568009150 /nfs/dbraw/zinc/00/91/50/568009150.db2.gz XKONFLPOUJSKRD-LJQANCHMSA-N 2 2 355.526 3.730 20 30 FHEDLP N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Cl ZINC000365402407 568620837 /nfs/dbraw/zinc/62/08/37/568620837.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 2 2 372.875 3.748 20 30 FHEDLP N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Cl ZINC000365402407 568620839 /nfs/dbraw/zinc/62/08/39/568620839.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 2 2 372.875 3.748 20 30 FHEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)Nc1ccccc1OC(F)(F)F ZINC000160711296 931436583 /nfs/dbraw/zinc/43/65/83/931436583.db2.gz UTMDRLOKLJOMTF-UHFFFAOYSA-N 2 2 367.375 3.599 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000236663904 934761122 /nfs/dbraw/zinc/76/11/22/934761122.db2.gz KYMRDHRQTZBIKR-UHFFFAOYSA-N 2 2 373.504 3.674 20 30 FHEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccccc2C#N)CC1 ZINC000179085104 938801965 /nfs/dbraw/zinc/80/19/65/938801965.db2.gz HFCBRFRTCYWRNS-QGZVFWFLSA-N 2 2 366.484 3.690 20 30 FHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(OCC#N)cc1 ZINC000376177811 940429242 /nfs/dbraw/zinc/42/92/42/940429242.db2.gz LGPRHRHEPZDAQO-MRXNPFEDSA-N 2 2 355.507 3.966 20 30 FHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205520 941110832 /nfs/dbraw/zinc/11/08/32/941110832.db2.gz XJBBUHZGOCMGSK-OAHLLOKOSA-N 2 2 373.298 3.509 20 30 FHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205520 941110834 /nfs/dbraw/zinc/11/08/34/941110834.db2.gz XJBBUHZGOCMGSK-OAHLLOKOSA-N 2 2 373.298 3.509 20 30 FHEDLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000189366359 941157752 /nfs/dbraw/zinc/15/77/52/941157752.db2.gz CVBJDFJETCOHMI-JOCHJYFZSA-N 2 2 361.489 3.945 20 30 FHEDLP N#Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055906 /nfs/dbraw/zinc/05/59/06/945055906.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055918 /nfs/dbraw/zinc/05/59/18/945055918.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055930 /nfs/dbraw/zinc/05/59/30/945055930.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 2 370.500 3.765 20 30 FHEDLP N#Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055939 /nfs/dbraw/zinc/05/59/39/945055939.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 2 370.500 3.765 20 30 FHEDLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507638017 945385858 /nfs/dbraw/zinc/38/58/58/945385858.db2.gz RUZJQNRLAGODII-UHFFFAOYSA-N 2 2 369.553 3.870 20 30 FHEDLP C[C@H]1C[NH+](CC2CC[NH+](CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000441147515 946271488 /nfs/dbraw/zinc/27/14/88/946271488.db2.gz QMLKNXMFZYQYDD-ROUUACIJSA-N 2 2 360.929 3.513 20 30 FHEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303267440 946535358 /nfs/dbraw/zinc/53/53/58/946535358.db2.gz XGXMPEJFYYFIIT-MAUKXSAKSA-N 2 2 356.539 3.550 20 30 FHEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303267440 946535364 /nfs/dbraw/zinc/53/53/64/946535364.db2.gz XGXMPEJFYYFIIT-MAUKXSAKSA-N 2 2 356.539 3.550 20 30 FHEDLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328646270 946963820 /nfs/dbraw/zinc/96/38/20/946963820.db2.gz GSZZAFJUADECES-SFHVURJKSA-N 2 2 352.482 3.533 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512017998 948199843 /nfs/dbraw/zinc/19/98/43/948199843.db2.gz XEUGIYNZUAIVQR-UHFFFAOYSA-N 2 2 364.415 3.631 20 30 FHEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000182073068 948493760 /nfs/dbraw/zinc/49/37/60/948493760.db2.gz ZKKDVNNKHFFLKP-JTSKRJEESA-N 2 2 361.489 3.677 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005432 567835870 /nfs/dbraw/zinc/83/58/70/567835870.db2.gz CVRYBWXJOVDKPY-TXDAXLQXSA-N 2 2 361.917 3.752 20 30 FHEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005432 567835872 /nfs/dbraw/zinc/83/58/72/567835872.db2.gz CVRYBWXJOVDKPY-TXDAXLQXSA-N 2 2 361.917 3.752 20 30 FHEDLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503237 567988493 /nfs/dbraw/zinc/98/84/93/567988493.db2.gz PCVSYDZKHPSAGS-NQIIRXRSSA-N 2 2 373.541 3.767 20 30 FHEDLP COc1cccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000602505252 567988635 /nfs/dbraw/zinc/98/86/35/567988635.db2.gz YFBCGWPTTGDGBO-RXVVDRJESA-N 2 2 371.525 3.521 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000182027162 568558484 /nfs/dbraw/zinc/55/84/84/568558484.db2.gz MYXNGOVHBBQLFX-WXFUMESZSA-N 2 2 357.501 3.698 20 30 FHEDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328719560 930577537 /nfs/dbraw/zinc/57/75/37/930577537.db2.gz VQSARWBZOCJDQE-UHFFFAOYSA-N 2 2 373.545 3.692 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236663535 934761350 /nfs/dbraw/zinc/76/13/50/934761350.db2.gz AJNUXYUHKIDFTP-UHFFFAOYSA-N 2 2 364.537 3.965 20 30 FHEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661442 934839502 /nfs/dbraw/zinc/83/95/02/934839502.db2.gz NUUMTMKQPXMRGS-LEOXJPRUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661442 934839507 /nfs/dbraw/zinc/83/95/07/934839507.db2.gz NUUMTMKQPXMRGS-LEOXJPRUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661442 934839511 /nfs/dbraw/zinc/83/95/11/934839511.db2.gz NUUMTMKQPXMRGS-LEOXJPRUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661442 934839517 /nfs/dbraw/zinc/83/95/17/934839517.db2.gz NUUMTMKQPXMRGS-LEOXJPRUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[NH+]1CCC(CNc2nc(C(C)(C)C)ccc2C#N)([NH+]2CCCCC2)CC1 ZINC000613425554 940693584 /nfs/dbraw/zinc/69/35/84/940693584.db2.gz CCJHGCKCUFJARZ-UHFFFAOYSA-N 2 2 369.557 3.613 20 30 FHEDLP C=CCOc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013697 942040663 /nfs/dbraw/zinc/04/06/63/942040663.db2.gz UNTKLZDOMONMOX-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013697 942040668 /nfs/dbraw/zinc/04/06/68/942040668.db2.gz UNTKLZDOMONMOX-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434013697 942040674 /nfs/dbraw/zinc/04/06/74/942040674.db2.gz UNTKLZDOMONMOX-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434013697 942040677 /nfs/dbraw/zinc/04/06/77/942040677.db2.gz UNTKLZDOMONMOX-UNMCSNQZSA-N 2 2 351.494 3.771 20 30 FHEDLP C=CCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CCCCC1 ZINC000422028202 942944361 /nfs/dbraw/zinc/94/43/61/942944361.db2.gz XLPTWJDQBISMNP-UHFFFAOYSA-N 2 2 361.574 3.532 20 30 FHEDLP C=CCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CCCCC1 ZINC000422028202 942944364 /nfs/dbraw/zinc/94/43/64/942944364.db2.gz XLPTWJDQBISMNP-UHFFFAOYSA-N 2 2 361.574 3.532 20 30 FHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822379 946025165 /nfs/dbraw/zinc/02/51/65/946025165.db2.gz UZUHABFRDOEUGK-GCJKJVERSA-N 2 2 355.526 3.944 20 30 FHEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C#N)ccc1F ZINC000184754838 948376603 /nfs/dbraw/zinc/37/66/03/948376603.db2.gz JFRMCKQROVMIIV-IAGOWNOFSA-N 2 2 351.469 3.944 20 30 FHEDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010957 567931361 /nfs/dbraw/zinc/93/13/61/567931361.db2.gz PDYRHENJWGCBAV-MRXNPFEDSA-N 2 2 368.912 3.964 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000602526373 567987770 /nfs/dbraw/zinc/98/77/70/567987770.db2.gz VYXFCYCBAOCEDC-FPOVZHCZSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000602526373 567987771 /nfs/dbraw/zinc/98/77/71/567987771.db2.gz VYXFCYCBAOCEDC-FPOVZHCZSA-N 2 2 355.526 3.730 20 30 FHEDLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503239 567988506 /nfs/dbraw/zinc/98/85/06/567988506.db2.gz PCVSYDZKHPSAGS-RXVVDRJESA-N 2 2 373.541 3.767 20 30 FHEDLP Cc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602532106 567988806 /nfs/dbraw/zinc/98/88/06/567988806.db2.gz KCJSWJSYJMGWRW-CTNGQTDRSA-N 2 2 355.526 3.821 20 30 FHEDLP C[C@H](CCC#N)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000602661560 568012526 /nfs/dbraw/zinc/01/25/26/568012526.db2.gz FHAVMPJGRKYUET-CQSZACIVSA-N 2 2 365.275 3.681 20 30 FHEDLP C[C@H](CCC#N)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000602661560 568012527 /nfs/dbraw/zinc/01/25/27/568012527.db2.gz FHAVMPJGRKYUET-CQSZACIVSA-N 2 2 365.275 3.681 20 30 FHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139774 568287838 /nfs/dbraw/zinc/28/78/38/568287838.db2.gz GFJNQDRWZLJJDD-OALUTQOASA-N 2 2 367.497 3.598 20 30 FHEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139773 568287867 /nfs/dbraw/zinc/28/78/67/568287867.db2.gz GFJNQDRWZLJJDD-MOPGFXCFSA-N 2 2 367.497 3.598 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccn(C4CCCC4)n3)CC2)cc1 ZINC000182040420 568578799 /nfs/dbraw/zinc/57/87/99/568578799.db2.gz BFEVCUCRPJKYMC-UHFFFAOYSA-N 2 2 363.509 3.624 20 30 FHEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737575 932241075 /nfs/dbraw/zinc/24/10/75/932241075.db2.gz FFIVJAXGEVOPFT-XZOQPEGZSA-N 2 2 350.506 3.837 20 30 FHEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737575 932241080 /nfs/dbraw/zinc/24/10/80/932241080.db2.gz FFIVJAXGEVOPFT-XZOQPEGZSA-N 2 2 350.506 3.837 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1 ZINC000657311628 935105345 /nfs/dbraw/zinc/10/53/45/935105345.db2.gz PTSGNIRFDFPLKO-GOSISDBHSA-N 2 2 353.514 3.518 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)nn1 ZINC000657311628 935105349 /nfs/dbraw/zinc/10/53/49/935105349.db2.gz PTSGNIRFDFPLKO-GOSISDBHSA-N 2 2 353.514 3.518 20 30 FHEDLP Cc1cn2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2[nH+]1 ZINC000329465187 938430230 /nfs/dbraw/zinc/43/02/30/938430230.db2.gz UZPPSNZJTCTVGN-SFHVURJKSA-N 2 2 369.513 3.632 20 30 FHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322594 939182636 /nfs/dbraw/zinc/18/26/36/939182636.db2.gz MDYJSYVYDDZHNR-IBGZPJMESA-N 2 2 373.504 3.596 20 30 FHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322594 939182637 /nfs/dbraw/zinc/18/26/37/939182637.db2.gz MDYJSYVYDDZHNR-IBGZPJMESA-N 2 2 373.504 3.596 20 30 FHEDLP N#CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000092071617 940319328 /nfs/dbraw/zinc/31/93/28/940319328.db2.gz IDSLQPDOFGQDIH-SFHVURJKSA-N 2 2 360.465 3.566 20 30 FHEDLP N#CCCn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000092071617 940319332 /nfs/dbraw/zinc/31/93/32/940319332.db2.gz IDSLQPDOFGQDIH-SFHVURJKSA-N 2 2 360.465 3.566 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000518015234 944934698 /nfs/dbraw/zinc/93/46/98/944934698.db2.gz OXDCKLQDMBYGRJ-FAFZWHIHSA-N 2 2 363.427 3.940 20 30 FHEDLP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516066 946494901 /nfs/dbraw/zinc/49/49/01/946494901.db2.gz GLIHPBBQEMURON-QGZVFWFLSA-N 2 2 357.889 3.516 20 30 FHEDLP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516066 946494904 /nfs/dbraw/zinc/49/49/04/946494904.db2.gz GLIHPBBQEMURON-QGZVFWFLSA-N 2 2 357.889 3.516 20 30 FHEDLP C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000066905628 946594776 /nfs/dbraw/zinc/59/47/76/946594776.db2.gz URBOLCSLHWFJRQ-GOSISDBHSA-N 2 2 360.461 3.760 20 30 FHEDLP C[C@@H](C#N)Oc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895112030 948681539 /nfs/dbraw/zinc/68/15/39/948681539.db2.gz SPEMTOQEKKHCAE-WDSOQIARSA-N 2 2 350.466 3.649 20 30 FHEDLP CC[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000602512713 567989455 /nfs/dbraw/zinc/98/94/55/567989455.db2.gz SICKMBNZOIAQTF-RXVVDRJESA-N 2 2 355.526 3.512 20 30 FHEDLP CC[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000602512713 567989456 /nfs/dbraw/zinc/98/94/56/567989456.db2.gz SICKMBNZOIAQTF-RXVVDRJESA-N 2 2 355.526 3.512 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602625056 567999094 /nfs/dbraw/zinc/99/90/94/567999094.db2.gz WZQCEHWECVOAFW-TZIWHRDSSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602625056 567999095 /nfs/dbraw/zinc/99/90/95/567999095.db2.gz WZQCEHWECVOAFW-TZIWHRDSSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602625053 567999099 /nfs/dbraw/zinc/99/90/99/567999099.db2.gz WZQCEHWECVOAFW-CTNGQTDRSA-N 2 2 355.526 3.730 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602625053 567999100 /nfs/dbraw/zinc/99/91/00/567999100.db2.gz WZQCEHWECVOAFW-CTNGQTDRSA-N 2 2 355.526 3.730 20 30 FHEDLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181897679 568137802 /nfs/dbraw/zinc/13/78/02/568137802.db2.gz WRNXEMSAJJCSQX-UHFFFAOYSA-N 2 2 355.526 3.709 20 30 FHEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155721875 930581964 /nfs/dbraw/zinc/58/19/64/930581964.db2.gz BMIWWBHSJPWBIB-UHFFFAOYSA-N 2 2 367.924 3.725 20 30 FHEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155721875 930581971 /nfs/dbraw/zinc/58/19/71/930581971.db2.gz BMIWWBHSJPWBIB-UHFFFAOYSA-N 2 2 367.924 3.725 20 30 FHEDLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328958749 933433819 /nfs/dbraw/zinc/43/38/19/933433819.db2.gz OOZQMSRCAWALST-UMQXSMKFSA-N 2 2 364.493 3.598 20 30 FHEDLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328958749 933433822 /nfs/dbraw/zinc/43/38/22/933433822.db2.gz OOZQMSRCAWALST-UMQXSMKFSA-N 2 2 364.493 3.598 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657313192 935115658 /nfs/dbraw/zinc/11/56/58/935115658.db2.gz PMKUWGBXAJKXHJ-RTBURBONSA-N 2 2 367.541 3.622 20 30 FHEDLP Cc1cn2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc2[nH+]1 ZINC000329465402 938430211 /nfs/dbraw/zinc/43/02/11/938430211.db2.gz VBRRVSGCHYKPEL-UHFFFAOYSA-N 2 2 369.513 3.776 20 30 FHEDLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc2[nH+]1 ZINC000329465402 938430214 /nfs/dbraw/zinc/43/02/14/938430214.db2.gz VBRRVSGCHYKPEL-UHFFFAOYSA-N 2 2 369.513 3.776 20 30 FHEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc2c1CCCC2 ZINC000262403272 938936168 /nfs/dbraw/zinc/93/61/68/938936168.db2.gz VMFXDAAPLANTII-UHFFFAOYSA-N 2 2 359.477 3.737 20 30 FHEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164281 940397701 /nfs/dbraw/zinc/39/77/01/940397701.db2.gz FCDFINMCGIRRSW-QUCCMNQESA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164281 940397704 /nfs/dbraw/zinc/39/77/04/940397704.db2.gz FCDFINMCGIRRSW-QUCCMNQESA-N 2 2 364.493 3.547 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435396271 943390025 /nfs/dbraw/zinc/39/00/25/943390025.db2.gz XMLFFFOOVBKBTF-OAQYLSRUSA-N 2 2 351.494 3.791 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435396271 943390032 /nfs/dbraw/zinc/39/00/32/943390032.db2.gz XMLFFFOOVBKBTF-OAQYLSRUSA-N 2 2 351.494 3.791 20 30 FHEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962705 /nfs/dbraw/zinc/96/27/05/523962705.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 2 2 364.493 3.524 20 30 FHEDLP C[N@H+]1CC[C@@H](C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962710 /nfs/dbraw/zinc/96/27/10/523962710.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 2 2 364.493 3.524 20 30 FHEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)cn1 ZINC000366009716 567930199 /nfs/dbraw/zinc/93/01/99/567930199.db2.gz LUBPJOBGDQEDDA-ZDUSSCGKSA-N 2 2 351.841 3.952 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000181858314 567966883 /nfs/dbraw/zinc/96/68/83/567966883.db2.gz PSAUYUJNPPEIBF-UHFFFAOYSA-N 3 2 366.553 3.519 20 30 FHEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493896 567986411 /nfs/dbraw/zinc/98/64/11/567986411.db2.gz NBSHVLXNRSFHCI-LJQANCHMSA-N 2 2 370.541 3.648 20 30 FHEDLP Cc1cc(Br)cn2cc(CC[NH2+]C3CCC(C#N)CC3)[nH+]c12 ZINC000602612306 567997579 /nfs/dbraw/zinc/99/75/79/567997579.db2.gz HRDOIGYAQJEBHW-UHFFFAOYSA-N 2 2 361.287 3.620 20 30 FHEDLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3ccc(C#N)cc31)[C@H]2C ZINC001164857958 720951942 /nfs/dbraw/zinc/95/19/42/720951942.db2.gz IMDUVKYAZSYVSU-INIZCTEOSA-N 2 2 374.492 3.724 20 30 FHEDLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3ccc(C#N)cc31)[C@H]2C ZINC001164857958 720951947 /nfs/dbraw/zinc/95/19/47/720951947.db2.gz IMDUVKYAZSYVSU-INIZCTEOSA-N 2 2 374.492 3.724 20 30 FHEDLP CC[N@@H+](Cc1ccc(OC)c(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111353 931935220 /nfs/dbraw/zinc/93/52/20/931935220.db2.gz SDMAYSWPXBAQKK-UHFFFAOYSA-N 2 2 364.493 3.700 20 30 FHEDLP CC[N@H+](Cc1ccc(OC)c(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111353 931935224 /nfs/dbraw/zinc/93/52/24/931935224.db2.gz SDMAYSWPXBAQKK-UHFFFAOYSA-N 2 2 364.493 3.700 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)cc1 ZINC000278486585 938471050 /nfs/dbraw/zinc/47/10/50/938471050.db2.gz PEHMOMIPQYSRMG-UHFFFAOYSA-N 2 2 360.505 3.586 20 30 FHEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccccc2C#N)CC1 ZINC000179085113 938801855 /nfs/dbraw/zinc/80/18/55/938801855.db2.gz HFCBRFRTCYWRNS-KRWDZBQOSA-N 2 2 366.484 3.690 20 30 FHEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(F)c1 ZINC000151146839 941760175 /nfs/dbraw/zinc/76/01/75/941760175.db2.gz JLNPBBGFXDXYJB-UHFFFAOYSA-N 2 2 355.432 3.633 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381371 943496317 /nfs/dbraw/zinc/49/63/17/943496317.db2.gz ZNVFYIFHSQPZLM-DQLDELGASA-N 2 2 353.416 3.559 20 30 FHEDLP CCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270134786 944710090 /nfs/dbraw/zinc/71/00/90/944710090.db2.gz TYUXFLDNKUGFEP-RTWAWAEBSA-N 2 2 360.546 3.795 20 30 FHEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317811 945540856 /nfs/dbraw/zinc/54/08/56/945540856.db2.gz BXAUVGPSINOIIA-KRWDZBQOSA-N 2 2 369.513 3.500 20 30 FHEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330317811 945540860 /nfs/dbraw/zinc/54/08/60/945540860.db2.gz BXAUVGPSINOIIA-KRWDZBQOSA-N 2 2 369.513 3.500 20 30 FHEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411763 946565497 /nfs/dbraw/zinc/56/54/97/946565497.db2.gz HJDRLXCMRCQHER-MAUKXSAKSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411763 946565502 /nfs/dbraw/zinc/56/55/02/946565502.db2.gz HJDRLXCMRCQHER-MAUKXSAKSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411763 946565506 /nfs/dbraw/zinc/56/55/06/946565506.db2.gz HJDRLXCMRCQHER-MAUKXSAKSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411763 946565512 /nfs/dbraw/zinc/56/55/12/946565512.db2.gz HJDRLXCMRCQHER-MAUKXSAKSA-N 2 2 361.436 3.608 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000106245563 946731033 /nfs/dbraw/zinc/73/10/33/946731033.db2.gz DVPWBXVBJVOGDT-UHFFFAOYSA-N 2 2 374.479 3.897 20 30 FHEDLP COc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602507457 567988798 /nfs/dbraw/zinc/98/87/98/567988798.db2.gz JMGMOVXZEMSHKR-GHTZIAJQSA-N 2 2 371.525 3.521 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602618136 567998295 /nfs/dbraw/zinc/99/82/95/567998295.db2.gz CWYJSNLZZQLRPY-NQIIRXRSSA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602618136 567998296 /nfs/dbraw/zinc/99/82/96/567998296.db2.gz CWYJSNLZZQLRPY-NQIIRXRSSA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000570321775 568467964 /nfs/dbraw/zinc/46/79/64/568467964.db2.gz UQRKIJMZHCNMEO-HOTGVXAUSA-N 2 2 354.523 3.782 20 30 FHEDLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000570321776 568467982 /nfs/dbraw/zinc/46/79/82/568467982.db2.gz UQRKIJMZHCNMEO-HZPDHXFCSA-N 2 2 354.523 3.782 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000236663811 934761546 /nfs/dbraw/zinc/76/15/46/934761546.db2.gz CZXOZSNHSFZVTR-UHFFFAOYSA-N 2 2 373.504 3.674 20 30 FHEDLP C=CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1 ZINC000657337858 935266317 /nfs/dbraw/zinc/26/63/17/935266317.db2.gz DDXHDUVKIWXVPL-UHFFFAOYSA-N 2 2 353.514 3.520 20 30 FHEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914565 /nfs/dbraw/zinc/91/45/65/935914565.db2.gz WHMPKVOBKVGRGB-AZUAARDMSA-N 2 2 359.562 3.845 20 30 FHEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914567 /nfs/dbraw/zinc/91/45/67/935914567.db2.gz WHMPKVOBKVGRGB-AZUAARDMSA-N 2 2 359.562 3.845 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914571 /nfs/dbraw/zinc/91/45/71/935914571.db2.gz WHMPKVOBKVGRGB-AZUAARDMSA-N 2 2 359.562 3.845 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914572 /nfs/dbraw/zinc/91/45/72/935914572.db2.gz WHMPKVOBKVGRGB-AZUAARDMSA-N 2 2 359.562 3.845 20 30 FHEDLP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180159296 940720586 /nfs/dbraw/zinc/72/05/86/940720586.db2.gz CTAPYJQLZBAGEW-UHFFFAOYSA-N 2 2 371.472 3.798 20 30 FHEDLP N#Cc1ccc(C2=CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420950433 942272476 /nfs/dbraw/zinc/27/24/76/942272476.db2.gz RCKCBOXBIUNNTF-UHFFFAOYSA-N 2 2 373.500 3.680 20 30 FHEDLP N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420950433 942272479 /nfs/dbraw/zinc/27/24/79/942272479.db2.gz RCKCBOXBIUNNTF-UHFFFAOYSA-N 2 2 373.500 3.680 20 30 FHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428344818 945839667 /nfs/dbraw/zinc/83/96/67/945839667.db2.gz HFPGPLPUBHRFOT-YPGOJHLTSA-N 2 2 351.469 3.944 20 30 FHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428344818 945839680 /nfs/dbraw/zinc/83/96/80/945839680.db2.gz HFPGPLPUBHRFOT-YPGOJHLTSA-N 2 2 351.469 3.944 20 30 FHEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000066905336 946506429 /nfs/dbraw/zinc/50/64/29/946506429.db2.gz JSWSUTXPDBBZNG-DHIUTWEWSA-N 2 2 361.489 3.854 20 30 FHEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000066905336 946506437 /nfs/dbraw/zinc/50/64/37/946506437.db2.gz JSWSUTXPDBBZNG-DHIUTWEWSA-N 2 2 361.489 3.854 20 30 FHEDLP C=CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)(C)C ZINC000661758334 946587966 /nfs/dbraw/zinc/58/79/66/946587966.db2.gz RSHKZYJGLUPXHY-UHFFFAOYSA-N 2 2 364.559 3.600 20 30 FHEDLP C=CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)(C)C ZINC000661758334 946587986 /nfs/dbraw/zinc/58/79/86/946587986.db2.gz RSHKZYJGLUPXHY-UHFFFAOYSA-N 2 2 364.559 3.600 20 30 FHEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)CC1 ZINC000328644682 946963864 /nfs/dbraw/zinc/96/38/64/946963864.db2.gz GBXTWIYZXORPTE-LMDPOFIKSA-N 2 2 373.545 3.546 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754958 947011907 /nfs/dbraw/zinc/01/19/07/947011907.db2.gz DXWZWUIWUIMCGW-UWJYYQICSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754958 947011914 /nfs/dbraw/zinc/01/19/14/947011914.db2.gz DXWZWUIWUIMCGW-UWJYYQICSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754958 947011918 /nfs/dbraw/zinc/01/19/18/947011918.db2.gz DXWZWUIWUIMCGW-UWJYYQICSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000328754958 947011925 /nfs/dbraw/zinc/01/19/25/947011925.db2.gz DXWZWUIWUIMCGW-UWJYYQICSA-N 2 2 372.513 3.612 20 30 FHEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(C4CCCCC4)n3)CC2)CC1 ZINC000328760882 947014592 /nfs/dbraw/zinc/01/45/92/947014592.db2.gz XVMLUEFSDIMSOC-UHFFFAOYSA-N 2 2 374.529 3.586 20 30 FHEDLP CC[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000602512714 567989449 /nfs/dbraw/zinc/98/94/49/567989449.db2.gz SICKMBNZOIAQTF-WIYYLYMNSA-N 2 2 355.526 3.512 20 30 FHEDLP CC[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000602512714 567989450 /nfs/dbraw/zinc/98/94/50/567989450.db2.gz SICKMBNZOIAQTF-WIYYLYMNSA-N 2 2 355.526 3.512 20 30 FHEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000602737968 568026468 /nfs/dbraw/zinc/02/64/68/568026468.db2.gz DWAJZWYFKDGUFT-UHFFFAOYSA-N 2 2 359.514 3.684 20 30 FHEDLP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181914236 568195501 /nfs/dbraw/zinc/19/55/01/568195501.db2.gz GBXIQKXBNAITAD-OXJNMPFZSA-N 2 2 369.534 3.686 20 30 FHEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365404003 568622400 /nfs/dbraw/zinc/62/24/00/568622400.db2.gz DMDJKHOJLZYQJT-UHFFFAOYSA-N 2 2 363.465 3.884 20 30 FHEDLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3ccc(C#N)cc31)[C@@H]2C ZINC001164857959 720950169 /nfs/dbraw/zinc/95/01/69/720950169.db2.gz IMDUVKYAZSYVSU-MRXNPFEDSA-N 2 2 374.492 3.724 20 30 FHEDLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3ccc(C#N)cc31)[C@@H]2C ZINC001164857959 720950174 /nfs/dbraw/zinc/95/01/74/720950174.db2.gz IMDUVKYAZSYVSU-MRXNPFEDSA-N 2 2 374.492 3.724 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000579581172 930570592 /nfs/dbraw/zinc/57/05/92/930570592.db2.gz NTXUXEFUDHVAEM-UHFFFAOYSA-N 2 2 360.505 3.671 20 30 FHEDLP N#Cc1ccc(N2CCC([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000581385877 931928633 /nfs/dbraw/zinc/92/86/33/931928633.db2.gz VWFMUMVDLIPNTL-UHFFFAOYSA-N 2 2 357.461 3.503 20 30 FHEDLP Cc1csc(C(C)(C)[NH2+]CC#CC[NH2+]C(C)(C)c2nc(C)cs2)n1 ZINC000276286997 932145318 /nfs/dbraw/zinc/14/53/18/932145318.db2.gz HBDJTBUEPYIEPA-UHFFFAOYSA-N 2 2 362.568 3.569 20 30 FHEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661299 934839365 /nfs/dbraw/zinc/83/93/65/934839365.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661299 934839370 /nfs/dbraw/zinc/83/93/70/934839370.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661299 934839375 /nfs/dbraw/zinc/83/93/75/934839375.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661299 934839378 /nfs/dbraw/zinc/83/93/78/934839378.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 2 2 363.505 3.577 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786915 939067276 /nfs/dbraw/zinc/06/72/76/939067276.db2.gz DLCVBLQUMFTISS-IBGZPJMESA-N 2 2 365.481 3.544 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786915 939067280 /nfs/dbraw/zinc/06/72/80/939067280.db2.gz DLCVBLQUMFTISS-IBGZPJMESA-N 2 2 365.481 3.544 20 30 FHEDLP Clc1ccccc1C#CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037656 945265039 /nfs/dbraw/zinc/26/50/39/945265039.db2.gz UUSQMQDKPODCOL-UHFFFAOYSA-N 2 2 360.929 3.516 20 30 FHEDLP C=CC[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892881049 941645847 /nfs/dbraw/zinc/64/58/47/941645847.db2.gz PAHQECGLZNGXGH-UHFFFAOYSA-N 2 2 351.516 3.835 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966795 942604336 /nfs/dbraw/zinc/60/43/36/942604336.db2.gz DHZUYUDIJZICPC-LEWJYISDSA-N 2 2 361.574 3.528 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966795 942604340 /nfs/dbraw/zinc/60/43/40/942604340.db2.gz DHZUYUDIJZICPC-LEWJYISDSA-N 2 2 361.574 3.528 20 30 FHEDLP CC[C@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303406225 946574513 /nfs/dbraw/zinc/57/45/13/946574513.db2.gz RDVWLVDBVSVUCF-KRWDZBQOSA-N 2 2 361.493 3.801 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754956 947012266 /nfs/dbraw/zinc/01/22/66/947012266.db2.gz DXWZWUIWUIMCGW-UTKZUKDTSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000328754956 947012278 /nfs/dbraw/zinc/01/22/78/947012278.db2.gz DXWZWUIWUIMCGW-UTKZUKDTSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754956 947012290 /nfs/dbraw/zinc/01/22/90/947012290.db2.gz DXWZWUIWUIMCGW-UTKZUKDTSA-N 2 2 372.513 3.612 20 30 FHEDLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000328754956 947012302 /nfs/dbraw/zinc/01/23/02/947012302.db2.gz DXWZWUIWUIMCGW-UTKZUKDTSA-N 2 2 372.513 3.612 20 30 FHEDLP C=CC[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000662690649 947987570 /nfs/dbraw/zinc/98/75/70/947987570.db2.gz DGYHKDSCSPKWBP-OAQYLSRUSA-N 2 2 350.466 3.523 20 30 FHEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049823 /nfs/dbraw/zinc/04/98/23/529049823.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049833 /nfs/dbraw/zinc/04/98/33/529049833.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049836 /nfs/dbraw/zinc/04/98/36/529049836.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049841 /nfs/dbraw/zinc/04/98/41/529049841.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 2 2 365.525 3.758 20 30 FHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503235 567988528 /nfs/dbraw/zinc/98/85/28/567988528.db2.gz PCVSYDZKHPSAGS-GHTZIAJQSA-N 2 2 373.541 3.767 20 30 FHEDLP COc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602507460 567988859 /nfs/dbraw/zinc/98/88/59/567988859.db2.gz JMGMOVXZEMSHKR-WIYYLYMNSA-N 2 2 371.525 3.521 20 30 FHEDLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000291718250 568268527 /nfs/dbraw/zinc/26/85/27/568268527.db2.gz MESHKOVTMUFTSU-UHFFFAOYSA-N 2 2 352.482 3.561 20 30 FHEDLP CC(C)(C#N)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510948414 934221092 /nfs/dbraw/zinc/22/10/92/934221092.db2.gz OWBPOQTWRGDFHO-UHFFFAOYSA-N 2 2 365.275 3.681 20 30 FHEDLP CC(C)(C#N)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510948414 934221094 /nfs/dbraw/zinc/22/10/94/934221094.db2.gz OWBPOQTWRGDFHO-UHFFFAOYSA-N 2 2 365.275 3.681 20 30 FHEDLP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)(C)C)cn1 ZINC000513324811 941848449 /nfs/dbraw/zinc/84/84/49/941848449.db2.gz CKDBEMSCDGJPIZ-OAQYLSRUSA-N 2 2 365.525 3.633 20 30 FHEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902306 942245949 /nfs/dbraw/zinc/24/59/49/942245949.db2.gz MLBSRIKNTQAPMZ-UHFFFAOYSA-N 2 2 363.505 3.801 20 30 FHEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902306 942245953 /nfs/dbraw/zinc/24/59/53/942245953.db2.gz MLBSRIKNTQAPMZ-UHFFFAOYSA-N 2 2 363.505 3.801 20 30 FHEDLP N#Cc1ccc(C2=CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420950533 942272379 /nfs/dbraw/zinc/27/23/79/942272379.db2.gz RMYWVOIHHQVVOE-UHFFFAOYSA-N 2 2 373.500 3.680 20 30 FHEDLP N#Cc1ccc(C2=CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420950533 942272382 /nfs/dbraw/zinc/27/23/82/942272382.db2.gz RMYWVOIHHQVVOE-UHFFFAOYSA-N 2 2 373.500 3.680 20 30 FHEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000182054278 942662894 /nfs/dbraw/zinc/66/28/94/942662894.db2.gz ZFLSFIHWVYRRMJ-ZWKOTPCHSA-N 2 2 364.493 3.860 20 30 FHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381372 943496471 /nfs/dbraw/zinc/49/64/71/943496471.db2.gz ZNVFYIFHSQPZLM-HBGVWJBISA-N 2 2 353.416 3.559 20 30 FHEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411762 946565641 /nfs/dbraw/zinc/56/56/41/946565641.db2.gz HJDRLXCMRCQHER-CRAIPNDOSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411762 946565643 /nfs/dbraw/zinc/56/56/43/946565643.db2.gz HJDRLXCMRCQHER-CRAIPNDOSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411762 946565645 /nfs/dbraw/zinc/56/56/45/946565645.db2.gz HJDRLXCMRCQHER-CRAIPNDOSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411762 946565648 /nfs/dbraw/zinc/56/56/48/946565648.db2.gz HJDRLXCMRCQHER-CRAIPNDOSA-N 2 2 361.436 3.608 20 30 FHEDLP C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)Cn1cc[nH+]c1 ZINC000067500411 946679445 /nfs/dbraw/zinc/67/94/45/946679445.db2.gz IUFXPUBURUWRPM-GOSISDBHSA-N 2 2 360.461 3.760 20 30 FHEDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010953 567931175 /nfs/dbraw/zinc/93/11/75/567931175.db2.gz PDYRHENJWGCBAV-INIZCTEOSA-N 2 2 368.912 3.964 20 30 FHEDLP COc1cccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000602505253 567988677 /nfs/dbraw/zinc/98/86/77/567988677.db2.gz YFBCGWPTTGDGBO-WIYYLYMNSA-N 2 2 371.525 3.521 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000602674209 568008724 /nfs/dbraw/zinc/00/87/24/568008724.db2.gz VUYSCEQODIRENL-HNNXBMFYSA-N 2 2 358.873 3.714 20 30 FHEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160598268 931011901 /nfs/dbraw/zinc/01/19/01/931011901.db2.gz RDFGHXRPPGCZFH-OAHLLOKOSA-N 2 2 366.387 3.615 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164280 940397141 /nfs/dbraw/zinc/39/71/41/940397141.db2.gz FCDFINMCGIRRSW-ICSRJNTNSA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164280 940397143 /nfs/dbraw/zinc/39/71/43/940397143.db2.gz FCDFINMCGIRRSW-ICSRJNTNSA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164282 940397592 /nfs/dbraw/zinc/39/75/92/940397592.db2.gz FCDFINMCGIRRSW-UYAOXDASSA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164282 940397596 /nfs/dbraw/zinc/39/75/96/940397596.db2.gz FCDFINMCGIRRSW-UYAOXDASSA-N 2 2 364.493 3.547 20 30 FHEDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C#N)o2)cc1 ZINC000582574027 940730428 /nfs/dbraw/zinc/73/04/28/940730428.db2.gz ZYIHJLAPPJUPOA-UHFFFAOYSA-N 2 2 364.449 3.839 20 30 FHEDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C#N)o2)cc1 ZINC000582574027 940730430 /nfs/dbraw/zinc/73/04/30/940730430.db2.gz ZYIHJLAPPJUPOA-UHFFFAOYSA-N 2 2 364.449 3.839 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966797 942604467 /nfs/dbraw/zinc/60/44/67/942604467.db2.gz DHZUYUDIJZICPC-NHCUHLMSSA-N 2 2 361.574 3.528 20 30 FHEDLP C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001268966797 942604471 /nfs/dbraw/zinc/60/44/71/942604471.db2.gz DHZUYUDIJZICPC-NHCUHLMSSA-N 2 2 361.574 3.528 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435437108 943415790 /nfs/dbraw/zinc/41/57/90/943415790.db2.gz JCWFLYJQTMLOKE-GOSISDBHSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435437108 943415793 /nfs/dbraw/zinc/41/57/93/943415793.db2.gz JCWFLYJQTMLOKE-GOSISDBHSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435444323 943420264 /nfs/dbraw/zinc/42/02/64/943420264.db2.gz WFODUNFTSGMQCQ-LJQANCHMSA-N 2 2 369.534 3.852 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435444323 943420269 /nfs/dbraw/zinc/42/02/69/943420269.db2.gz WFODUNFTSGMQCQ-LJQANCHMSA-N 2 2 369.534 3.852 20 30 FHEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928871 /nfs/dbraw/zinc/92/88/71/943928871.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 2 2 354.416 3.741 20 30 FHEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928876 /nfs/dbraw/zinc/92/88/76/943928876.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928880 /nfs/dbraw/zinc/92/88/80/943928880.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928883 /nfs/dbraw/zinc/92/88/83/943928883.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 2 2 354.416 3.741 20 30 FHEDLP CCN(CC)C(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303988345 946753485 /nfs/dbraw/zinc/75/34/85/946753485.db2.gz WMNCKTWZSZJRQR-UHFFFAOYSA-N 2 2 361.493 3.755 20 30 FHEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)CC2)CC1 ZINC000328649155 946965169 /nfs/dbraw/zinc/96/51/69/946965169.db2.gz INTNATCOMWSXES-UHFFFAOYSA-N 2 2 373.545 3.546 20 30 FHEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)CC2)CC1 ZINC000328649155 946965177 /nfs/dbraw/zinc/96/51/77/946965177.db2.gz INTNATCOMWSXES-UHFFFAOYSA-N 2 2 373.545 3.546 20 30 FHEDLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508513 567988960 /nfs/dbraw/zinc/98/89/60/567988960.db2.gz NBDYGHZOPYQQBO-TZIWHRDSSA-N 2 2 357.542 3.628 20 30 FHEDLP C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912515 568178323 /nfs/dbraw/zinc/17/83/23/568178323.db2.gz BRTLPNCCOZTFFX-JPYJTQIMSA-N 2 2 363.505 3.624 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000181945158 568243202 /nfs/dbraw/zinc/24/32/02/568243202.db2.gz GPBKZTDRCCOYTN-NRFANRHFSA-N 2 2 365.452 3.775 20 30 FHEDLP CC(C)OC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182063349 568721592 /nfs/dbraw/zinc/72/15/92/568721592.db2.gz CDTBMMZRXRAJLY-UHFFFAOYSA-N 2 2 355.526 3.848 20 30 FHEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C[C@@H](C)O1 ZINC000186927990 927576793 /nfs/dbraw/zinc/57/67/93/927576793.db2.gz GZLLWKXKPZVDJE-HZPDHXFCSA-N 2 2 361.917 3.533 20 30 FHEDLP C(#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1)C[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660625907 945323485 /nfs/dbraw/zinc/32/34/85/945323485.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 2 2 374.532 3.539 20 30 FHEDLP C(#CC[N@H+]1CCC[C@@H](c2ccccn2)C1)C[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660625907 945323493 /nfs/dbraw/zinc/32/34/93/945323493.db2.gz LKVJGKXUHGYNCQ-SZPZYZBQSA-N 2 2 374.532 3.539 20 30 FHEDLP N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)c2)c1 ZINC000377790567 941991986 /nfs/dbraw/zinc/99/19/86/941991986.db2.gz WWRRCKKDYNIBDS-LJQANCHMSA-N 2 2 358.445 3.507 20 30 FHEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303267437 946535386 /nfs/dbraw/zinc/53/53/86/946535386.db2.gz XGXMPEJFYYFIIT-CRAIPNDOSA-N 2 2 356.539 3.550 20 30 FHEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303267437 946535395 /nfs/dbraw/zinc/53/53/95/946535395.db2.gz XGXMPEJFYYFIIT-CRAIPNDOSA-N 2 2 356.539 3.550 20 30 FHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 ZINC000182073119 948494160 /nfs/dbraw/zinc/49/41/60/948494160.db2.gz ZKKDVNNKHFFLKP-VGOFRKELSA-N 2 2 361.489 3.677 20 30 FHEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961790 /nfs/dbraw/zinc/96/17/90/523961790.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 2 2 364.493 3.524 20 30 FHEDLP C[N@H+]1CC[C@@H](C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961794 /nfs/dbraw/zinc/96/17/94/523961794.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 2 2 364.493 3.524 20 30 FHEDLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508511 567988944 /nfs/dbraw/zinc/98/89/44/567988944.db2.gz NBDYGHZOPYQQBO-PZJWPPBQSA-N 2 2 357.542 3.628 20 30 FHEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000602674210 568008647 /nfs/dbraw/zinc/00/86/47/568008647.db2.gz VUYSCEQODIRENL-OAHLLOKOSA-N 2 2 358.873 3.714 20 30 FHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139775 568287860 /nfs/dbraw/zinc/28/78/60/568287860.db2.gz GFJNQDRWZLJJDD-RBUKOAKNSA-N 2 2 367.497 3.598 20 30 FHEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156661169 934838810 /nfs/dbraw/zinc/83/88/10/934838810.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156661169 934838813 /nfs/dbraw/zinc/83/88/13/934838813.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661169 934838817 /nfs/dbraw/zinc/83/88/17/934838817.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 2 2 363.505 3.577 20 30 FHEDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156661169 934838818 /nfs/dbraw/zinc/83/88/18/934838818.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 2 2 363.505 3.577 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576523 /nfs/dbraw/zinc/57/65/23/938576523.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 3 2 353.554 3.527 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576526 /nfs/dbraw/zinc/57/65/26/938576526.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 3 2 353.554 3.527 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000507471899 945257814 /nfs/dbraw/zinc/25/78/14/945257814.db2.gz CMLFFPALJFKMNX-UHFFFAOYSA-N 2 2 373.422 3.772 20 30 FHEDLP C=CCOCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549520641 945274557 /nfs/dbraw/zinc/27/45/57/945274557.db2.gz YATVHXRAEVHCJI-UHFFFAOYSA-N 2 2 356.432 3.804 20 30 FHEDLP C=CCOCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549520641 945274561 /nfs/dbraw/zinc/27/45/61/945274561.db2.gz YATVHXRAEVHCJI-UHFFFAOYSA-N 2 2 356.432 3.804 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797011 939903951 /nfs/dbraw/zinc/90/39/51/939903951.db2.gz TXNIJSRIXYMPQM-FUHWJXTLSA-N 2 2 365.481 3.542 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797011 939903952 /nfs/dbraw/zinc/90/39/52/939903952.db2.gz TXNIJSRIXYMPQM-FUHWJXTLSA-N 2 2 365.481 3.542 20 30 FHEDLP C=CCC[C@@H](O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472580691 940933708 /nfs/dbraw/zinc/93/37/08/940933708.db2.gz DJOCOLVQJAKMOD-LJQANCHMSA-N 2 2 360.546 3.526 20 30 FHEDLP C=CCC[C@@H](O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472580691 940933710 /nfs/dbraw/zinc/93/37/10/940933710.db2.gz DJOCOLVQJAKMOD-LJQANCHMSA-N 2 2 360.546 3.526 20 30 FHEDLP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000378545414 942878691 /nfs/dbraw/zinc/87/86/91/942878691.db2.gz NSZFEGKFGXGHEP-FQEVSTJZSA-N 2 2 366.534 3.955 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)cc1 ZINC000503860282 943388599 /nfs/dbraw/zinc/38/85/99/943388599.db2.gz UULHHCQUOLZZBW-RTBURBONSA-N 2 2 363.452 3.663 20 30 FHEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929265 /nfs/dbraw/zinc/92/92/65/943929265.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929270 /nfs/dbraw/zinc/92/92/70/943929270.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929273 /nfs/dbraw/zinc/92/92/73/943929273.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 2 2 354.416 3.741 20 30 FHEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929277 /nfs/dbraw/zinc/92/92/77/943929277.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 2 2 354.416 3.741 20 30 FHEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349979 945638714 /nfs/dbraw/zinc/63/87/14/945638714.db2.gz KNVWFJNKTPGYPT-VJFUWPCTSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330349979 945638726 /nfs/dbraw/zinc/63/87/26/945638726.db2.gz KNVWFJNKTPGYPT-VJFUWPCTSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330355911 945660575 /nfs/dbraw/zinc/66/05/75/945660575.db2.gz RBFKAQSHEQEMNS-KBAYOESNSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330355911 945660579 /nfs/dbraw/zinc/66/05/79/945660579.db2.gz RBFKAQSHEQEMNS-KBAYOESNSA-N 2 2 358.530 3.852 20 30 FHEDLP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182060169 568707402 /nfs/dbraw/zinc/70/74/02/568707402.db2.gz RWIPRGRYTPLEJL-OAHLLOKOSA-N 2 2 352.482 3.521 20 30 FHEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927953 927575174 /nfs/dbraw/zinc/57/51/74/927575174.db2.gz GZLLWKXKPZVDJE-IYBDPMFKSA-N 2 2 361.917 3.533 20 30 FHEDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927953 927575197 /nfs/dbraw/zinc/57/51/97/927575197.db2.gz GZLLWKXKPZVDJE-IYBDPMFKSA-N 2 2 361.917 3.533 20 30 FHEDLP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645244 934120118 /nfs/dbraw/zinc/12/01/18/934120118.db2.gz SWUDGQCKHLMAIQ-UHFFFAOYSA-N 2 2 365.521 3.785 20 30 FHEDLP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645244 934120121 /nfs/dbraw/zinc/12/01/21/934120121.db2.gz SWUDGQCKHLMAIQ-UHFFFAOYSA-N 2 2 365.521 3.785 20 30 FHEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551601683 935319568 /nfs/dbraw/zinc/31/95/68/935319568.db2.gz BRKQZHSSZZYDCK-NRFANRHFSA-N 2 2 373.504 3.596 20 30 FHEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551601683 935319574 /nfs/dbraw/zinc/31/95/74/935319574.db2.gz BRKQZHSSZZYDCK-NRFANRHFSA-N 2 2 373.504 3.596 20 30 FHEDLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838277 936200610 /nfs/dbraw/zinc/20/06/10/936200610.db2.gz BYDQDIJHQDFDML-XZOQPEGZSA-N 2 2 363.505 3.845 20 30 FHEDLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838277 936200615 /nfs/dbraw/zinc/20/06/15/936200615.db2.gz BYDQDIJHQDFDML-XZOQPEGZSA-N 2 2 363.505 3.845 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797009 939903800 /nfs/dbraw/zinc/90/38/00/939903800.db2.gz TXNIJSRIXYMPQM-AEFFLSMTSA-N 2 2 365.481 3.542 20 30 FHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000375797009 939903807 /nfs/dbraw/zinc/90/38/07/939903807.db2.gz TXNIJSRIXYMPQM-AEFFLSMTSA-N 2 2 365.481 3.542 20 30 FHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000582137498 940649877 /nfs/dbraw/zinc/64/98/77/940649877.db2.gz SITASPWYBZBORT-NRFANRHFSA-N 2 2 370.460 3.550 20 30 FHEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904178 942246264 /nfs/dbraw/zinc/24/62/64/942246264.db2.gz OYPNJKALWYXQLZ-UHFFFAOYSA-N 2 2 361.489 3.579 20 30 FHEDLP C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904178 942246270 /nfs/dbraw/zinc/24/62/70/942246270.db2.gz OYPNJKALWYXQLZ-UHFFFAOYSA-N 2 2 361.489 3.579 20 30 FHEDLP N#Cc1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn2ccccc12 ZINC000434685507 942865181 /nfs/dbraw/zinc/86/51/81/942865181.db2.gz ORVAMSGNMMHUMI-UHFFFAOYSA-N 2 2 359.477 3.723 20 30 FHEDLP C#CCCOc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000236684589 942990280 /nfs/dbraw/zinc/99/02/80/942990280.db2.gz OBEWAXCPQDZVGQ-UHFFFAOYSA-N 2 2 358.551 3.540 20 30 FHEDLP N#Cc1c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn2ccccc12 ZINC000503366800 943142220 /nfs/dbraw/zinc/14/22/20/943142220.db2.gz KICGMGOQFNZSKQ-KRWDZBQOSA-N 2 2 359.477 3.723 20 30 FHEDLP N#Cc1c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn2ccccc12 ZINC000503366800 943142222 /nfs/dbraw/zinc/14/22/22/943142222.db2.gz KICGMGOQFNZSKQ-KRWDZBQOSA-N 2 2 359.477 3.723 20 30 FHEDLP C=CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435424072 943404134 /nfs/dbraw/zinc/40/41/34/943404134.db2.gz XTRRFSFHPCKUED-SFHVURJKSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435424072 943404136 /nfs/dbraw/zinc/40/41/36/943404136.db2.gz XTRRFSFHPCKUED-SFHVURJKSA-N 2 2 357.523 3.628 20 30 FHEDLP C=CCOc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000517539016 944369127 /nfs/dbraw/zinc/36/91/27/944369127.db2.gz XEYPEYVFOOOPEO-UHFFFAOYSA-N 2 2 365.521 3.553 20 30 FHEDLP C[C@@H]1C[NH+](CC2CC[NH+](CC#Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000441147514 946272174 /nfs/dbraw/zinc/27/21/74/946272174.db2.gz QMLKNXMFZYQYDD-QZTJIDSGSA-N 2 2 360.929 3.513 20 30 FHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839552 946707126 /nfs/dbraw/zinc/70/71/26/946707126.db2.gz QEKDSWHDLYPENX-KRWDZBQOSA-N 2 2 360.498 3.772 20 30 FHEDLP Cc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1C#N ZINC000475351008 946925126 /nfs/dbraw/zinc/92/51/26/946925126.db2.gz AXVZVYXTOOIRRA-UHFFFAOYSA-N 2 2 351.416 3.762 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000359894147 223135722 /nfs/dbraw/zinc/13/57/22/223135722.db2.gz DJZDAAFXWXPRNN-UHFFFAOYSA-N 2 2 367.537 3.852 20 30 FHEDLP COc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000602507458 567988779 /nfs/dbraw/zinc/98/87/79/567988779.db2.gz JMGMOVXZEMSHKR-NQIIRXRSSA-N 2 2 371.525 3.521 20 30 FHEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000570123091 568452563 /nfs/dbraw/zinc/45/25/63/568452563.db2.gz GCIQUCGIBAKTFJ-LJQANCHMSA-N 2 2 362.521 3.637 20 30 FHEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000570123091 568452564 /nfs/dbraw/zinc/45/25/64/568452564.db2.gz GCIQUCGIBAKTFJ-LJQANCHMSA-N 2 2 362.521 3.637 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000182041059 568579318 /nfs/dbraw/zinc/57/93/18/568579318.db2.gz WPYABQWKQGDLMT-UHFFFAOYSA-N 2 2 358.489 3.836 20 30 FHEDLP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645135 934120438 /nfs/dbraw/zinc/12/04/38/934120438.db2.gz VRVTXWJRRRXWNG-UHFFFAOYSA-N 2 2 365.521 3.785 20 30 FHEDLP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645135 934120444 /nfs/dbraw/zinc/12/04/44/934120444.db2.gz VRVTXWJRRRXWNG-UHFFFAOYSA-N 2 2 365.521 3.785 20 30 FHEDLP Cc1ccc(N2CCC([NH2+]Cc3ccc(F)c(C#N)c3Cl)CC2)[nH+]c1 ZINC000365449766 940166047 /nfs/dbraw/zinc/16/60/47/940166047.db2.gz DQRNUQGKXCUHQF-UHFFFAOYSA-N 2 2 358.848 3.813 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164279 940397113 /nfs/dbraw/zinc/39/71/13/940397113.db2.gz FCDFINMCGIRRSW-AZUAARDMSA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164279 940397116 /nfs/dbraw/zinc/39/71/16/940397116.db2.gz FCDFINMCGIRRSW-AZUAARDMSA-N 2 2 364.493 3.547 20 30 FHEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(OCC#N)cc1 ZINC000376177810 940429195 /nfs/dbraw/zinc/42/91/95/940429195.db2.gz LGPRHRHEPZDAQO-INIZCTEOSA-N 2 2 355.507 3.966 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197738 942377289 /nfs/dbraw/zinc/37/72/89/942377289.db2.gz CWHIMIQWQDTGFA-NBQZKYEYSA-N 2 2 371.916 3.679 20 30 FHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197738 942377293 /nfs/dbraw/zinc/37/72/93/942377293.db2.gz CWHIMIQWQDTGFA-NBQZKYEYSA-N 2 2 371.916 3.679 20 30 FHEDLP C=CCOc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435390081 943377714 /nfs/dbraw/zinc/37/77/14/943377714.db2.gz NTJZNBRLHKCJAG-OAQYLSRUSA-N 2 2 351.494 3.791 20 30 FHEDLP C=CCOc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435390081 943377719 /nfs/dbraw/zinc/37/77/19/943377719.db2.gz NTJZNBRLHKCJAG-OAQYLSRUSA-N 2 2 351.494 3.791 20 30 FHEDLP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516063 946494477 /nfs/dbraw/zinc/49/44/77/946494477.db2.gz GLIHPBBQEMURON-KRWDZBQOSA-N 2 2 357.889 3.516 20 30 FHEDLP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516063 946494494 /nfs/dbraw/zinc/49/44/94/946494494.db2.gz GLIHPBBQEMURON-KRWDZBQOSA-N 2 2 357.889 3.516 20 30 FHEDLP N#Cc1ccccc1COc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000066905407 946505250 /nfs/dbraw/zinc/50/52/50/946505250.db2.gz BMCXPXCEQITXFK-UHFFFAOYSA-N 2 2 360.461 3.904 20 30 FHEDLP C[C@H](C#N)Oc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895112028 948681733 /nfs/dbraw/zinc/68/17/33/948681733.db2.gz SPEMTOQEKKHCAE-BHIYHBOVSA-N 2 2 350.466 3.649 20 30 FHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508500 567988978 /nfs/dbraw/zinc/98/89/78/567988978.db2.gz NBDYGHZOPYQQBO-CTNGQTDRSA-N 2 2 357.542 3.628 20 30 FHEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139776 568287864 /nfs/dbraw/zinc/28/78/64/568287864.db2.gz GFJNQDRWZLJJDD-RTBURBONSA-N 2 2 367.497 3.598 20 30 FHEDLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838274 936200735 /nfs/dbraw/zinc/20/07/35/936200735.db2.gz BYDQDIJHQDFDML-DHIUTWEWSA-N 2 2 363.505 3.845 20 30 FHEDLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838274 936200737 /nfs/dbraw/zinc/20/07/37/936200737.db2.gz BYDQDIJHQDFDML-DHIUTWEWSA-N 2 2 363.505 3.845 20 30 FHEDLP C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245681882 938310242 /nfs/dbraw/zinc/31/02/42/938310242.db2.gz HMELYFURWIBMFO-NHCUHLMSSA-N 2 2 361.574 3.550 20 30 FHEDLP C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245681882 938310243 /nfs/dbraw/zinc/31/02/43/938310243.db2.gz HMELYFURWIBMFO-NHCUHLMSSA-N 2 2 361.574 3.550 20 30 FHEDLP CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900872 942246060 /nfs/dbraw/zinc/24/60/60/942246060.db2.gz IWRNYZAJQLYDFT-UHFFFAOYSA-N 2 2 363.505 3.803 20 30 FHEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900872 942246062 /nfs/dbraw/zinc/24/60/62/942246062.db2.gz IWRNYZAJQLYDFT-UHFFFAOYSA-N 2 2 363.505 3.803 20 30 FHEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775723 942343192 /nfs/dbraw/zinc/34/31/92/942343192.db2.gz WJIVOPQFCGBDOI-KUHUBIRLSA-N 2 2 372.875 3.746 20 30 FHEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775723 942343197 /nfs/dbraw/zinc/34/31/97/942343197.db2.gz WJIVOPQFCGBDOI-KUHUBIRLSA-N 2 2 372.875 3.746 20 30 FHEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423253217 943460348 /nfs/dbraw/zinc/46/03/48/943460348.db2.gz YRLKDOFHSDZUCG-HSZRJFAPSA-N 2 2 362.521 3.940 20 30 FHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423522293 943545536 /nfs/dbraw/zinc/54/55/36/943545536.db2.gz UOKDUPTZRSXANR-QHCPKHFHSA-N 3 2 362.521 3.592 20 30 FHEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)NC3CCCCCC3)C1)CCCC2 ZINC000330354709 945659327 /nfs/dbraw/zinc/65/93/27/945659327.db2.gz PSSRJCIUBYOKIY-SFHVURJKSA-N 2 2 358.530 3.996 20 30 FHEDLP CC[N@H+](CCCC1(C#N)CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000281899282 945917483 /nfs/dbraw/zinc/91/74/83/945917483.db2.gz FPALXITXOATJQE-UHFFFAOYSA-N 2 2 370.541 3.720 20 30 FHEDLP CC[N@@H+](CCCC1(C#N)CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000281899282 945917493 /nfs/dbraw/zinc/91/74/93/945917493.db2.gz FPALXITXOATJQE-UHFFFAOYSA-N 2 2 370.541 3.720 20 30 FHEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568759 /nfs/dbraw/zinc/56/87/59/946568759.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568775 /nfs/dbraw/zinc/56/87/75/946568775.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568786 /nfs/dbraw/zinc/56/87/86/946568786.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 2 2 361.436 3.608 20 30 FHEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568793 /nfs/dbraw/zinc/56/87/93/946568793.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 2 2 361.436 3.608 20 30 FHEDLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1C#N ZINC000440632098 947432227 /nfs/dbraw/zinc/43/22/27/947432227.db2.gz BPRFPGSJEVWTKC-NRFANRHFSA-N 2 2 360.461 3.911 20 30 FHEDLP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000130980134 947994407 /nfs/dbraw/zinc/99/44/07/947994407.db2.gz LLKGLECICJCRKA-IBGZPJMESA-N 2 2 363.505 3.799 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602618135 567998315 /nfs/dbraw/zinc/99/83/15/567998315.db2.gz CWYJSNLZZQLRPY-GHTZIAJQSA-N 2 2 355.526 3.586 20 30 FHEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602618135 567998316 /nfs/dbraw/zinc/99/83/16/567998316.db2.gz CWYJSNLZZQLRPY-GHTZIAJQSA-N 2 2 355.526 3.586 20 30 FHEDLP