smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418574 718887733 /nfs/dbraw/zinc/88/77/33/718887733.db2.gz PCZGRHOPVACLDN-BTYIYWSLSA-N 2 2 429.594 0.813 20 0 ICADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H]5C[C@@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418578 718887795 /nfs/dbraw/zinc/88/77/95/718887795.db2.gz PCZGRHOPVACLDN-QVKFZJNVSA-N 2 2 429.594 0.813 20 0 ICADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5[C@@H]([NH3+])[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164439901 718985596 /nfs/dbraw/zinc/98/55/96/718985596.db2.gz HBZFLSRYAMAPNS-VQFNDLOPSA-N 2 2 429.594 0.669 20 0 ICADLP CCc1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc(N2CCOCC2)[nH+]1 ZINC001164638209 719277653 /nfs/dbraw/zinc/27/76/53/719277653.db2.gz DPZBKDYRRYSVGL-UHFFFAOYSA-N 2 2 432.569 0.635 20 0 ICADLP CCc1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc(N2CCOCC2)[nH+]1 ZINC001164638209 719277652 /nfs/dbraw/zinc/27/76/52/719277652.db2.gz DPZBKDYRRYSVGL-UHFFFAOYSA-N 2 2 432.569 0.635 20 0 ICADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644704 719283345 /nfs/dbraw/zinc/28/33/45/719283345.db2.gz QZRBYVPKTUDUSD-UHFFFAOYSA-N 2 2 432.569 0.614 20 0 ICADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644704 719283343 /nfs/dbraw/zinc/28/33/43/719283343.db2.gz QZRBYVPKTUDUSD-UHFFFAOYSA-N 2 2 432.569 0.614 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C[NH2+]1 ZINC001164666114 719394052 /nfs/dbraw/zinc/39/40/52/719394052.db2.gz JGDXMSKWRDQSOH-FZDIXFNVSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C[NH2+]1 ZINC001164666114 719394050 /nfs/dbraw/zinc/39/40/50/719394050.db2.gz JGDXMSKWRDQSOH-FZDIXFNVSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[NH2+]1 ZINC001164666117 719393923 /nfs/dbraw/zinc/39/39/23/719393923.db2.gz JGDXMSKWRDQSOH-QZHFEQFPSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C[NH2+]1 ZINC001164666117 719393920 /nfs/dbraw/zinc/39/39/20/719393920.db2.gz JGDXMSKWRDQSOH-QZHFEQFPSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C[NH2+]1 ZINC001164666119 719394022 /nfs/dbraw/zinc/39/40/22/719394022.db2.gz JGDXMSKWRDQSOH-UDTPNQRGSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C[NH2+]1 ZINC001164666119 719394020 /nfs/dbraw/zinc/39/40/20/719394020.db2.gz JGDXMSKWRDQSOH-UDTPNQRGSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001164666120 719394379 /nfs/dbraw/zinc/39/43/79/719394379.db2.gz JGDXMSKWRDQSOH-WQANXHIZSA-N 2 2 443.504 0.440 20 0 ICADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001164666120 719394375 /nfs/dbraw/zinc/39/43/75/719394375.db2.gz JGDXMSKWRDQSOH-WQANXHIZSA-N 2 2 443.504 0.440 20 0 ICADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164702264 719939351 /nfs/dbraw/zinc/93/93/51/719939351.db2.gz DLEMJUXVYFMFOR-UHFFFAOYSA-N 2 2 430.944 0.460 20 0 ICADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164708144 719920169 /nfs/dbraw/zinc/92/01/69/719920169.db2.gz FJCJSFKVWRNKSH-UHFFFAOYSA-N 3 2 438.580 0.693 20 0 ICADLP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164708391 719915704 /nfs/dbraw/zinc/91/57/04/719915704.db2.gz CBQRHZBKHOSBGZ-UHFFFAOYSA-N 2 2 439.568 0.088 20 0 ICADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164708785 719916972 /nfs/dbraw/zinc/91/69/72/719916972.db2.gz QGXXYFFSMODTSG-UHFFFAOYSA-N 2 2 425.537 0.602 20 0 ICADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164709096 719924146 /nfs/dbraw/zinc/92/41/46/719924146.db2.gz XUYNCMCZPRNSKN-UHFFFAOYSA-N 2 2 440.552 0.291 20 0 ICADLP Cn1nnc2c1CCN(c1cc(N3CCOCC3)nc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712996 720170283 /nfs/dbraw/zinc/17/02/83/720170283.db2.gz JEEGKDVGSJSTPW-GOSISDBHSA-N 2 2 428.541 0.658 20 0 ICADLP Cn1nnc2c1CCN(c1cc(N3CCOCC3)[nH+]cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712996 720170281 /nfs/dbraw/zinc/17/02/81/720170281.db2.gz JEEGKDVGSJSTPW-GOSISDBHSA-N 2 2 428.541 0.658 20 0 ICADLP Cn1nnc2c1CCN(c1cc(N3CCOCC3)nc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712998 720169863 /nfs/dbraw/zinc/16/98/63/720169863.db2.gz JEEGKDVGSJSTPW-SFHVURJKSA-N 2 2 428.541 0.658 20 0 ICADLP Cn1nnc2c1CCN(c1cc(N3CCOCC3)[nH+]cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712998 720169857 /nfs/dbraw/zinc/16/98/57/720169857.db2.gz JEEGKDVGSJSTPW-SFHVURJKSA-N 2 2 428.541 0.658 20 0 ICADLP Cn1nnc2c1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715743 720189405 /nfs/dbraw/zinc/18/94/05/720189405.db2.gz NCOGHLXELRSYDW-IBGZPJMESA-N 3 2 441.584 0.749 20 0 ICADLP Cn1nnc2c1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715745 720189758 /nfs/dbraw/zinc/18/97/58/720189758.db2.gz NCOGHLXELRSYDW-LJQANCHMSA-N 3 2 441.584 0.749 20 0 ICADLP Cn1nnc2c1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715884 720188141 /nfs/dbraw/zinc/18/81/41/720188141.db2.gz CWRIBCYPHUYKFD-GOSISDBHSA-N 2 2 428.541 0.658 20 0 ICADLP Cn1nnc2c1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715885 720189798 /nfs/dbraw/zinc/18/97/98/720189798.db2.gz CWRIBCYPHUYKFD-SFHVURJKSA-N 2 2 428.541 0.658 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724405 720330344 /nfs/dbraw/zinc/33/03/44/720330344.db2.gz JVZVLEATPGVMQI-MOPGFXCFSA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724405 720330340 /nfs/dbraw/zinc/33/03/40/720330340.db2.gz JVZVLEATPGVMQI-MOPGFXCFSA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724407 720330485 /nfs/dbraw/zinc/33/04/85/720330485.db2.gz JVZVLEATPGVMQI-OALUTQOASA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724407 720330481 /nfs/dbraw/zinc/33/04/81/720330481.db2.gz JVZVLEATPGVMQI-OALUTQOASA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724409 720330724 /nfs/dbraw/zinc/33/07/24/720330724.db2.gz JVZVLEATPGVMQI-RBUKOAKNSA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724409 720330715 /nfs/dbraw/zinc/33/07/15/720330715.db2.gz JVZVLEATPGVMQI-RBUKOAKNSA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724411 720329984 /nfs/dbraw/zinc/32/99/84/720329984.db2.gz JVZVLEATPGVMQI-RTBURBONSA-N 2 2 428.562 0.817 20 0 ICADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724411 720329980 /nfs/dbraw/zinc/32/99/80/720329980.db2.gz JVZVLEATPGVMQI-RTBURBONSA-N 2 2 428.562 0.817 20 0 ICADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164761517 721073720 /nfs/dbraw/zinc/07/37/20/721073720.db2.gz BNRPQHRWCSWIFE-DLBZAZTESA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164761517 721073716 /nfs/dbraw/zinc/07/37/16/721073716.db2.gz BNRPQHRWCSWIFE-DLBZAZTESA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164761519 721074239 /nfs/dbraw/zinc/07/42/39/721074239.db2.gz BNRPQHRWCSWIFE-IAGOWNOFSA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164761519 721074235 /nfs/dbraw/zinc/07/42/35/721074235.db2.gz BNRPQHRWCSWIFE-IAGOWNOFSA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164761522 721073844 /nfs/dbraw/zinc/07/38/44/721073844.db2.gz BNRPQHRWCSWIFE-IRXDYDNUSA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164761522 721073837 /nfs/dbraw/zinc/07/38/37/721073837.db2.gz BNRPQHRWCSWIFE-IRXDYDNUSA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164761524 721073206 /nfs/dbraw/zinc/07/32/06/721073206.db2.gz BNRPQHRWCSWIFE-SJORKVTESA-N 2 2 445.593 0.260 20 0 ICADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164761524 721073201 /nfs/dbraw/zinc/07/32/01/721073201.db2.gz BNRPQHRWCSWIFE-SJORKVTESA-N 2 2 445.593 0.260 20 0 ICADLP C[NH+](C)Cc1ccnc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)c1 ZINC001164793865 721475565 /nfs/dbraw/zinc/47/55/65/721475565.db2.gz ZBRRYTVUSMCQAE-MSOLQXFVSA-N 2 2 428.562 0.623 20 0 ICADLP C[NH+](C)Cc1ccnc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1 ZINC001164793866 721475679 /nfs/dbraw/zinc/47/56/79/721475679.db2.gz ZBRRYTVUSMCQAE-QZTJIDSGSA-N 2 2 428.562 0.623 20 0 ICADLP C[NH+](C)Cc1ccnc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)c1 ZINC001164793867 721475909 /nfs/dbraw/zinc/47/59/09/721475909.db2.gz ZBRRYTVUSMCQAE-ROUUACIJSA-N 2 2 428.562 0.623 20 0 ICADLP C[NH+](C)Cc1ccnc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1 ZINC001164793868 721475966 /nfs/dbraw/zinc/47/59/66/721475966.db2.gz ZBRRYTVUSMCQAE-ZWKOTPCHSA-N 2 2 428.562 0.623 20 0 ICADLP C[NH+]1CCN(Cc2cn3c([nH+]2)CN(c2[nH+]cnc4[n-]cc(S(C)(=O)=O)c42)CC3)CC1 ZINC001164794239 721511447 /nfs/dbraw/zinc/51/14/47/721511447.db2.gz LYIIHARXTGJSQT-UHFFFAOYSA-N 2 2 430.538 0.326 20 0 ICADLP CCc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164796725 721516818 /nfs/dbraw/zinc/51/68/18/721516818.db2.gz ANOIFOKGWRWTMP-UHFFFAOYSA-N 2 2 426.569 0.840 20 0 ICADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001164812615 720242025 /nfs/dbraw/zinc/24/20/25/720242025.db2.gz HCIFUXSWAGIUNA-KRWDZBQOSA-N 2 2 440.552 0.738 20 0 ICADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001164812615 720242016 /nfs/dbraw/zinc/24/20/16/720242016.db2.gz HCIFUXSWAGIUNA-KRWDZBQOSA-N 2 2 440.552 0.738 20 0 ICADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001164812617 720242285 /nfs/dbraw/zinc/24/22/85/720242285.db2.gz HCIFUXSWAGIUNA-QGZVFWFLSA-N 2 2 440.552 0.738 20 0 ICADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001164812617 720242275 /nfs/dbraw/zinc/24/22/75/720242275.db2.gz HCIFUXSWAGIUNA-QGZVFWFLSA-N 2 2 440.552 0.738 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001164823393 720437902 /nfs/dbraw/zinc/43/79/02/720437902.db2.gz IYIZEAYRYPCTDH-GOSISDBHSA-N 2 2 442.568 0.072 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001164823394 720437792 /nfs/dbraw/zinc/43/77/92/720437792.db2.gz IYIZEAYRYPCTDH-SFHVURJKSA-N 2 2 442.568 0.072 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164824319 720429435 /nfs/dbraw/zinc/42/94/35/720429435.db2.gz KRLHRWMDLPVKQX-HNNXBMFYSA-N 2 2 447.971 0.962 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164824323 720428418 /nfs/dbraw/zinc/42/84/18/720428418.db2.gz KRLHRWMDLPVKQX-OAHLLOKOSA-N 2 2 447.971 0.962 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164827125 720437454 /nfs/dbraw/zinc/43/74/54/720437454.db2.gz ZGGROCHFHFDBGK-HNNXBMFYSA-N 2 2 447.971 0.962 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164827128 720437723 /nfs/dbraw/zinc/43/77/23/720437723.db2.gz ZGGROCHFHFDBGK-OAHLLOKOSA-N 2 2 447.971 0.962 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001164828055 720428943 /nfs/dbraw/zinc/42/89/43/720428943.db2.gz VXDPBUHWEPQEBJ-KRWDZBQOSA-N 2 2 427.553 0.351 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001164828058 720428753 /nfs/dbraw/zinc/42/87/53/720428753.db2.gz VXDPBUHWEPQEBJ-QGZVFWFLSA-N 2 2 427.553 0.351 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164830090 720465620 /nfs/dbraw/zinc/46/56/20/720465620.db2.gz IYFYEURFYVZDCM-IBGZPJMESA-N 2 2 441.580 0.677 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164830107 720465891 /nfs/dbraw/zinc/46/58/91/720465891.db2.gz IYFYEURFYVZDCM-LJQANCHMSA-N 2 2 441.580 0.677 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)CC1 ZINC001164830698 720347063 /nfs/dbraw/zinc/34/70/63/720347063.db2.gz WNURDMRZYWEWQO-CEXWTWQISA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)CC1 ZINC001164830698 720347056 /nfs/dbraw/zinc/34/70/56/720347056.db2.gz WNURDMRZYWEWQO-CEXWTWQISA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)CC1 ZINC001164830700 720347397 /nfs/dbraw/zinc/34/73/97/720347397.db2.gz WNURDMRZYWEWQO-GUDVDZBRSA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)CC1 ZINC001164830700 720347390 /nfs/dbraw/zinc/34/73/90/720347390.db2.gz WNURDMRZYWEWQO-GUDVDZBRSA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)CC1 ZINC001164830702 720346973 /nfs/dbraw/zinc/34/69/73/720346973.db2.gz WNURDMRZYWEWQO-QRVBRYPASA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)CC1 ZINC001164830702 720346965 /nfs/dbraw/zinc/34/69/65/720346965.db2.gz WNURDMRZYWEWQO-QRVBRYPASA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)CC1 ZINC001164830704 720347367 /nfs/dbraw/zinc/34/73/67/720347367.db2.gz WNURDMRZYWEWQO-QYZOEREBSA-N 2 2 441.580 0.842 20 0 ICADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)CC1 ZINC001164830704 720347361 /nfs/dbraw/zinc/34/73/61/720347361.db2.gz WNURDMRZYWEWQO-QYZOEREBSA-N 2 2 441.580 0.842 20 0 ICADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164832633 720456467 /nfs/dbraw/zinc/45/64/67/720456467.db2.gz UOVUWCJMVQAULL-GOSISDBHSA-N 2 2 442.568 0.072 20 0 ICADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164832634 720456691 /nfs/dbraw/zinc/45/66/91/720456691.db2.gz UOVUWCJMVQAULL-SFHVURJKSA-N 2 2 442.568 0.072 20 0 ICADLP Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C1C[NH2+]C1 ZINC001164833946 720483414 /nfs/dbraw/zinc/48/34/14/720483414.db2.gz QWQRQZQMXKQNMH-GOSISDBHSA-N 2 2 427.553 0.658 20 0 ICADLP Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C1C[NH2+]C1 ZINC001164833957 720484510 /nfs/dbraw/zinc/48/45/10/720484510.db2.gz QWQRQZQMXKQNMH-SFHVURJKSA-N 2 2 427.553 0.658 20 0 ICADLP CNC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870544 721205315 /nfs/dbraw/zinc/20/53/15/721205315.db2.gz VQGJNVCMYRLQBT-FDDCHVKYSA-N 2 2 436.564 0.845 20 0 ICADLP CNC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870548 721205693 /nfs/dbraw/zinc/20/56/93/721205693.db2.gz VQGJNVCMYRLQBT-JPYJTQIMSA-N 2 2 436.564 0.845 20 0 ICADLP CNC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870551 721205791 /nfs/dbraw/zinc/20/57/91/721205791.db2.gz VQGJNVCMYRLQBT-MBSDFSHPSA-N 2 2 436.564 0.845 20 0 ICADLP CNC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870556 721205828 /nfs/dbraw/zinc/20/58/28/721205828.db2.gz VQGJNVCMYRLQBT-WZONZLPQSA-N 2 2 436.564 0.845 20 0 ICADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164872278 721277591 /nfs/dbraw/zinc/27/75/91/721277591.db2.gz BNTDVBAVNNXTEM-UHFFFAOYSA-N 2 2 430.509 0.752 20 0 ICADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164872278 721277584 /nfs/dbraw/zinc/27/75/84/721277584.db2.gz BNTDVBAVNNXTEM-UHFFFAOYSA-N 2 2 430.509 0.752 20 0 ICADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)C1 ZINC001164872451 721279754 /nfs/dbraw/zinc/27/97/54/721279754.db2.gz DJSKZDHDTVWUOY-UHFFFAOYSA-N 3 2 431.585 0.411 20 0 ICADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)C1 ZINC001164872451 721279741 /nfs/dbraw/zinc/27/97/41/721279741.db2.gz DJSKZDHDTVWUOY-UHFFFAOYSA-N 3 2 431.585 0.411 20 0 ICADLP CCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164872915 721279637 /nfs/dbraw/zinc/27/96/37/721279637.db2.gz IGTODTSVXVXBKN-UHFFFAOYSA-N 2 2 446.596 0.883 20 0 ICADLP CCc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(N2CCOCC2)[nH+]1 ZINC001164872915 721279626 /nfs/dbraw/zinc/27/96/26/721279626.db2.gz IGTODTSVXVXBKN-UHFFFAOYSA-N 2 2 446.596 0.883 20 0 ICADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)C1 ZINC001164875531 721279780 /nfs/dbraw/zinc/27/97/80/721279780.db2.gz WUNDWNSPIYNADU-UHFFFAOYSA-N 2 2 430.597 0.840 20 0 ICADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)C1 ZINC001164875531 721279777 /nfs/dbraw/zinc/27/97/77/721279777.db2.gz WUNDWNSPIYNADU-UHFFFAOYSA-N 2 2 430.597 0.840 20 0 ICADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)C1 ZINC001164875531 721279772 /nfs/dbraw/zinc/27/97/72/721279772.db2.gz WUNDWNSPIYNADU-UHFFFAOYSA-N 3 2 430.597 0.840 20 0 ICADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)C1 ZINC001164875531 721279765 /nfs/dbraw/zinc/27/97/65/721279765.db2.gz WUNDWNSPIYNADU-UHFFFAOYSA-N 3 2 430.597 0.840 20 0 ICADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)C1 ZINC001164877770 721289889 /nfs/dbraw/zinc/28/98/89/721289889.db2.gz OOJQASCGQNZJME-UHFFFAOYSA-N 2 2 431.585 0.235 20 0 ICADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)C1 ZINC001164877770 721289882 /nfs/dbraw/zinc/28/98/82/721289882.db2.gz OOJQASCGQNZJME-UHFFFAOYSA-N 2 2 431.585 0.235 20 0 ICADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164882115 721336525 /nfs/dbraw/zinc/33/65/25/721336525.db2.gz CMHIDYDVIBLVSA-AUSIDOKSSA-N 2 2 429.565 0.925 20 0 ICADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164882116 721336582 /nfs/dbraw/zinc/33/65/82/721336582.db2.gz CMHIDYDVIBLVSA-CVDCTZTESA-N 2 2 429.565 0.925 20 0 ICADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164882117 721336848 /nfs/dbraw/zinc/33/68/48/721336848.db2.gz CMHIDYDVIBLVSA-WMZHIEFXSA-N 2 2 429.565 0.925 20 0 ICADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164882118 721336550 /nfs/dbraw/zinc/33/65/50/721336550.db2.gz CMHIDYDVIBLVSA-XXBNENTESA-N 2 2 429.565 0.925 20 0 ICADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887256 721422685 /nfs/dbraw/zinc/42/26/85/721422685.db2.gz LQQHIXBLCMRNMY-GBXCKJPGSA-N 2 2 442.608 0.892 20 0 ICADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887259 721422786 /nfs/dbraw/zinc/42/27/86/721422786.db2.gz LQQHIXBLCMRNMY-HYBUGGRVSA-N 2 2 442.608 0.892 20 0 ICADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887260 721422559 /nfs/dbraw/zinc/42/25/59/721422559.db2.gz LQQHIXBLCMRNMY-RDPSFJRHSA-N 2 2 442.608 0.892 20 0 ICADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)C3)O2)CC1 ZINC001164887262 721422968 /nfs/dbraw/zinc/42/29/68/721422968.db2.gz LQQHIXBLCMRNMY-YKSBVNFPSA-N 2 2 442.608 0.892 20 0 ICADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892822 721385966 /nfs/dbraw/zinc/38/59/66/721385966.db2.gz SURUYASMDZSWNQ-NFBKMPQASA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892822 721385964 /nfs/dbraw/zinc/38/59/64/721385964.db2.gz SURUYASMDZSWNQ-NFBKMPQASA-N 2 2 429.613 0.994 20 0 ICADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892823 721386383 /nfs/dbraw/zinc/38/63/83/721386383.db2.gz SURUYASMDZSWNQ-NZQKXSOJSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892823 721386381 /nfs/dbraw/zinc/38/63/81/721386381.db2.gz SURUYASMDZSWNQ-NZQKXSOJSA-N 2 2 429.613 0.994 20 0 ICADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892824 721386373 /nfs/dbraw/zinc/38/63/73/721386373.db2.gz SURUYASMDZSWNQ-OFNKIYASSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892824 721386369 /nfs/dbraw/zinc/38/63/69/721386369.db2.gz SURUYASMDZSWNQ-OFNKIYASSA-N 2 2 429.613 0.994 20 0 ICADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892825 721386042 /nfs/dbraw/zinc/38/60/42/721386042.db2.gz SURUYASMDZSWNQ-REWPJTCUSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)O2)CC1 ZINC001164892825 721386040 /nfs/dbraw/zinc/38/60/40/721386040.db2.gz SURUYASMDZSWNQ-REWPJTCUSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)O2)CC1 ZINC001164899378 721443028 /nfs/dbraw/zinc/44/30/28/721443028.db2.gz YJAKWQFBTLMTNA-NFBKMPQASA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)O2)CC1 ZINC001164899381 721442925 /nfs/dbraw/zinc/44/29/25/721442925.db2.gz YJAKWQFBTLMTNA-NZQKXSOJSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)O2)CC1 ZINC001164899383 721442778 /nfs/dbraw/zinc/44/27/78/721442778.db2.gz YJAKWQFBTLMTNA-OFNKIYASSA-N 2 2 429.613 0.994 20 0 ICADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)O2)CC1 ZINC001164899385 721443007 /nfs/dbraw/zinc/44/30/07/721443007.db2.gz YJAKWQFBTLMTNA-REWPJTCUSA-N 2 2 429.613 0.994 20 0 ICADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912502 721773304 /nfs/dbraw/zinc/77/33/04/721773304.db2.gz MZLVEKYACWMKKD-JOCHJYFZSA-N 2 2 425.537 0.389 20 0 ICADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912502 721773297 /nfs/dbraw/zinc/77/32/97/721773297.db2.gz MZLVEKYACWMKKD-JOCHJYFZSA-N 2 2 425.537 0.389 20 0 ICADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912503 721773709 /nfs/dbraw/zinc/77/37/09/721773709.db2.gz MZLVEKYACWMKKD-QFIPXVFZSA-N 2 2 425.537 0.389 20 0 ICADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912503 721773707 /nfs/dbraw/zinc/77/37/07/721773707.db2.gz MZLVEKYACWMKKD-QFIPXVFZSA-N 2 2 425.537 0.389 20 0 ICADLP C[NH+]1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164912681 721770378 /nfs/dbraw/zinc/77/03/78/721770378.db2.gz OHMANMUUAILQFI-HSZRJFAPSA-N 2 2 439.564 0.731 20 0 ICADLP C[NH+]1CCN(c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164912681 721770374 /nfs/dbraw/zinc/77/03/74/721770374.db2.gz OHMANMUUAILQFI-HSZRJFAPSA-N 2 2 439.564 0.731 20 0 ICADLP C[NH+]1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164912686 721770292 /nfs/dbraw/zinc/77/02/92/721770292.db2.gz OHMANMUUAILQFI-QHCPKHFHSA-N 2 2 439.564 0.731 20 0 ICADLP C[NH+]1CCN(c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)CC1 ZINC001164912686 721770287 /nfs/dbraw/zinc/77/02/87/721770287.db2.gz OHMANMUUAILQFI-QHCPKHFHSA-N 2 2 439.564 0.731 20 0 ICADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001164917520 721812096 /nfs/dbraw/zinc/81/20/96/721812096.db2.gz MPWKRQRUAUOGSM-UHFFFAOYSA-N 2 2 445.593 0.514 20 0 ICADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164917571 721789341 /nfs/dbraw/zinc/78/93/41/721789341.db2.gz YFAZPVVYIWDEFK-HSZRJFAPSA-N 2 2 439.564 0.907 20 0 ICADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164917576 721789391 /nfs/dbraw/zinc/78/93/91/721789391.db2.gz YFAZPVVYIWDEFK-QHCPKHFHSA-N 2 2 439.564 0.907 20 0 ICADLP Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]32)cn1 ZINC001164963145 722031631 /nfs/dbraw/zinc/03/16/31/722031631.db2.gz ZWQAJJYDDXIZLI-AQNXPRMDSA-N 2 2 439.564 0.838 20 0 ICADLP Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]32)cn1 ZINC001164963149 722031515 /nfs/dbraw/zinc/03/15/15/722031515.db2.gz ZWQAJJYDDXIZLI-VAMGGRTRSA-N 2 2 439.564 0.838 20 0 ICADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]32)cn1 ZINC001164963154 722031543 /nfs/dbraw/zinc/03/15/43/722031543.db2.gz ZWQAJJYDDXIZLI-XUVXKRRUSA-N 2 2 439.564 0.838 20 0 ICADLP Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]23)cn1 ZINC001164963161 722031583 /nfs/dbraw/zinc/03/15/83/722031583.db2.gz ZWQAJJYDDXIZLI-ZCNNSNEGSA-N 2 2 439.564 0.838 20 0 ICADLP Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164980198 722093240 /nfs/dbraw/zinc/09/32/40/722093240.db2.gz LRWFRMPLLJIWMI-ABSDTBQOSA-N 2 2 425.537 0.733 20 0 ICADLP Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2CCCO[C@H]21 ZINC001164980200 722093111 /nfs/dbraw/zinc/09/31/11/722093111.db2.gz LRWFRMPLLJIWMI-QKLQHJQFSA-N 2 2 425.537 0.733 20 0 ICADLP Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001164980202 722093233 /nfs/dbraw/zinc/09/32/33/722093233.db2.gz LRWFRMPLLJIWMI-SQGPQFPESA-N 2 2 425.537 0.733 20 0 ICADLP Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164980204 722093157 /nfs/dbraw/zinc/09/31/57/722093157.db2.gz LRWFRMPLLJIWMI-ZWOKBUDYSA-N 2 2 425.537 0.733 20 0 ICADLP C[NH+]1CCN(c2cccc(N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)[nH+]2)CC1 ZINC001165002063 722246720 /nfs/dbraw/zinc/24/67/20/722246720.db2.gz BOTDNHRCVZVANQ-JOCHJYFZSA-N 2 2 425.537 0.736 20 0 ICADLP C[NH+]1CCN(c2cccc(N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)[nH+]2)CC1 ZINC001165002064 722246662 /nfs/dbraw/zinc/24/66/62/722246662.db2.gz BOTDNHRCVZVANQ-QFIPXVFZSA-N 2 2 425.537 0.736 20 0 ICADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)[nH+]2)CC1 ZINC001165006346 722241288 /nfs/dbraw/zinc/24/12/88/722241288.db2.gz YEHMZHGNXZLBQW-GOSISDBHSA-N 2 2 447.547 0.886 20 0 ICADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)[nH+]2)CC1 ZINC001165006351 722241405 /nfs/dbraw/zinc/24/14/05/722241405.db2.gz YEHMZHGNXZLBQW-SFHVURJKSA-N 2 2 447.547 0.886 20 0 ICADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001165008928 721711510 /nfs/dbraw/zinc/71/15/10/721711510.db2.gz LQZRESZFSZFZQU-UHFFFAOYSA-N 2 2 427.557 0.758 20 0 ICADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001165008928 721711509 /nfs/dbraw/zinc/71/15/09/721711509.db2.gz LQZRESZFSZFZQU-UHFFFAOYSA-N 2 2 427.557 0.758 20 0 ICADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001165009674 721694528 /nfs/dbraw/zinc/69/45/28/721694528.db2.gz QWDAAKFNOFRGGA-UHFFFAOYSA-N 2 2 448.597 0.410 20 0 ICADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001165009674 721694520 /nfs/dbraw/zinc/69/45/20/721694520.db2.gz QWDAAKFNOFRGGA-UHFFFAOYSA-N 2 2 448.597 0.410 20 0 ICADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165011007 721743374 /nfs/dbraw/zinc/74/33/74/721743374.db2.gz SGUFZTRFVFTZRV-UHFFFAOYSA-N 2 2 429.569 0.439 20 0 ICADLP Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013022 721756783 /nfs/dbraw/zinc/75/67/83/721756783.db2.gz IQQLFQVRKZTQFX-BBTUJRGHSA-N 2 2 425.537 0.733 20 0 ICADLP Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013023 721756949 /nfs/dbraw/zinc/75/69/49/721756949.db2.gz IQQLFQVRKZTQFX-UEXGIBASSA-N 2 2 425.537 0.733 20 0 ICADLP Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165013024 721756968 /nfs/dbraw/zinc/75/69/68/721756968.db2.gz IQQLFQVRKZTQFX-WAOWUJCRSA-N 2 2 425.537 0.733 20 0 ICADLP Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013025 721756744 /nfs/dbraw/zinc/75/67/44/721756744.db2.gz IQQLFQVRKZTQFX-WFXMLNOXSA-N 2 2 425.537 0.733 20 0 ICADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001466572031 1068975008 /nfs/dbraw/zinc/97/50/08/1068975008.db2.gz HQYAXIKCSWOTJN-HNNXBMFYSA-N 2 2 440.390 0.963 20 0 ICADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001466572031 1068975000 /nfs/dbraw/zinc/97/50/00/1068975000.db2.gz HQYAXIKCSWOTJN-HNNXBMFYSA-N 2 2 440.390 0.963 20 0 ICADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001466572032 1068975136 /nfs/dbraw/zinc/97/51/36/1068975136.db2.gz HQYAXIKCSWOTJN-OAHLLOKOSA-N 2 2 440.390 0.963 20 0 ICADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001466572032 1068975133 /nfs/dbraw/zinc/97/51/33/1068975133.db2.gz HQYAXIKCSWOTJN-OAHLLOKOSA-N 2 2 440.390 0.963 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccn(CCN4CC[NH+]=C4[O-])n3)CC2)CC1 ZINC001467335260 1069000051 /nfs/dbraw/zinc/00/00/51/1069000051.db2.gz ARQCMOZNAWKWAW-UHFFFAOYSA-N 2 2 432.573 0.932 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccn(CCN4CC[NH+]=C4[O-])n3)CC2)CC1 ZINC001467335260 1069000046 /nfs/dbraw/zinc/00/00/46/1069000046.db2.gz ARQCMOZNAWKWAW-UHFFFAOYSA-N 2 2 432.573 0.932 20 0 ICADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCN3CC[NH+](C)CC3)CC(=O)OC)CC2)CC1 ZINC001467509536 1069012292 /nfs/dbraw/zinc/01/22/92/1069012292.db2.gz XSEZOJOFURYWKP-UHFFFAOYSA-N 3 2 437.629 0.432 20 0 ICADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001467602761 1069017367 /nfs/dbraw/zinc/01/73/67/1069017367.db2.gz DPMISAGQCYRLDQ-UHFFFAOYSA-N 2 2 430.597 0.740 20 0 ICADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2)CC1 ZINC001467603773 1069017701 /nfs/dbraw/zinc/01/77/01/1069017701.db2.gz MRZKRZBRROHFIU-LADGPHEKSA-N 2 2 445.608 0.849 20 0 ICADLP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2)CC1 ZINC001467603773 1069017685 /nfs/dbraw/zinc/01/76/85/1069017685.db2.gz MRZKRZBRROHFIU-LADGPHEKSA-N 2 2 445.608 0.849 20 0 ICADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@]2(C)C1 ZINC001467647001 1069021454 /nfs/dbraw/zinc/02/14/54/1069021454.db2.gz OJPOHPVIBJAKTQ-XLIONFOSSA-N 2 2 436.582 0.127 20 0 ICADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@]2(C)C1 ZINC001467647001 1069021439 /nfs/dbraw/zinc/02/14/39/1069021439.db2.gz OJPOHPVIBJAKTQ-XLIONFOSSA-N 2 2 436.582 0.127 20 0 ICADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001467853691 1069038981 /nfs/dbraw/zinc/03/89/81/1069038981.db2.gz ZLLZXDRQPHKYDA-UHFFFAOYSA-N 2 2 442.605 0.591 20 0 ICADLP CN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2)CC1 ZINC001467863476 1069041109 /nfs/dbraw/zinc/04/11/09/1069041109.db2.gz HACXTCJSWUZFGH-JTHBVZDNSA-N 2 2 431.581 0.459 20 0 ICADLP CN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2)CC1 ZINC001467863476 1069041092 /nfs/dbraw/zinc/04/10/92/1069041092.db2.gz HACXTCJSWUZFGH-JTHBVZDNSA-N 2 2 431.581 0.459 20 0 ICADLP C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2)CC1 ZINC001467863476 1069041072 /nfs/dbraw/zinc/04/10/72/1069041072.db2.gz HACXTCJSWUZFGH-JTHBVZDNSA-N 2 2 431.581 0.459 20 0 ICADLP C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2)CC1 ZINC001467863476 1069041046 /nfs/dbraw/zinc/04/10/46/1069041046.db2.gz HACXTCJSWUZFGH-JTHBVZDNSA-N 2 2 431.581 0.459 20 0 ICADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001467877153 1069043041 /nfs/dbraw/zinc/04/30/41/1069043041.db2.gz OPQGZGSPBDVEGW-KRWDZBQOSA-N 2 2 430.553 0.336 20 0 ICADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001467877154 1069043756 /nfs/dbraw/zinc/04/37/56/1069043756.db2.gz OPQGZGSPBDVEGW-QGZVFWFLSA-N 2 2 430.553 0.336 20 0 ICADLP O=C(CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)NCC[NH+]1CCCCC1 ZINC001468041727 1069068669 /nfs/dbraw/zinc/06/86/69/1069068669.db2.gz HZVFQBSZUBCYMI-IBGZPJMESA-N 2 2 432.569 0.736 20 0 ICADLP O=C(CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)NCC[NH+]1CCCCC1 ZINC001468041727 1069068662 /nfs/dbraw/zinc/06/86/62/1069068662.db2.gz HZVFQBSZUBCYMI-IBGZPJMESA-N 2 2 432.569 0.736 20 0 ICADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001468099469 1069074504 /nfs/dbraw/zinc/07/45/04/1069074504.db2.gz UWMJUZDCOKOWIH-HXUWFJFHSA-N 2 2 431.537 0.308 20 0 ICADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC001468099469 1069074501 /nfs/dbraw/zinc/07/45/01/1069074501.db2.gz UWMJUZDCOKOWIH-HXUWFJFHSA-N 2 2 431.537 0.308 20 0 ICADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001468308864 1069100717 /nfs/dbraw/zinc/10/07/17/1069100717.db2.gz NHCMNMNIVFHIPJ-NZQKXSOJSA-N 2 2 448.564 0.423 20 0 ICADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001468308864 1069100683 /nfs/dbraw/zinc/10/06/83/1069100683.db2.gz NHCMNMNIVFHIPJ-NZQKXSOJSA-N 2 2 448.564 0.423 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001468363534 1069108651 /nfs/dbraw/zinc/10/86/51/1069108651.db2.gz NORADSSOLKJJBB-MSOLQXFVSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001468363534 1069108641 /nfs/dbraw/zinc/10/86/41/1069108641.db2.gz NORADSSOLKJJBB-MSOLQXFVSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001468363535 1069108911 /nfs/dbraw/zinc/10/89/11/1069108911.db2.gz NORADSSOLKJJBB-QZTJIDSGSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001468363535 1069108877 /nfs/dbraw/zinc/10/88/77/1069108877.db2.gz NORADSSOLKJJBB-QZTJIDSGSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001468363536 1069108703 /nfs/dbraw/zinc/10/87/03/1069108703.db2.gz NORADSSOLKJJBB-ROUUACIJSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001468363536 1069108693 /nfs/dbraw/zinc/10/86/93/1069108693.db2.gz NORADSSOLKJJBB-ROUUACIJSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001468363537 1069108532 /nfs/dbraw/zinc/10/85/32/1069108532.db2.gz NORADSSOLKJJBB-ZWKOTPCHSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001468363537 1069108518 /nfs/dbraw/zinc/10/85/18/1069108518.db2.gz NORADSSOLKJJBB-ZWKOTPCHSA-N 2 2 432.594 0.999 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001468364015 1069110020 /nfs/dbraw/zinc/11/00/20/1069110020.db2.gz WILGUDGDBBMFEA-IBGZPJMESA-N 2 2 430.553 0.673 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001468364015 1069110013 /nfs/dbraw/zinc/11/00/13/1069110013.db2.gz WILGUDGDBBMFEA-IBGZPJMESA-N 2 2 430.553 0.673 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001468364016 1069109855 /nfs/dbraw/zinc/10/98/55/1069109855.db2.gz WILGUDGDBBMFEA-LJQANCHMSA-N 2 2 430.553 0.673 20 0 ICADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001468364016 1069109843 /nfs/dbraw/zinc/10/98/43/1069109843.db2.gz WILGUDGDBBMFEA-LJQANCHMSA-N 2 2 430.553 0.673 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)CC2)CC1 ZINC001468410719 1069116589 /nfs/dbraw/zinc/11/65/89/1069116589.db2.gz IAEQMJQFVXCBIK-UHFFFAOYSA-N 2 2 435.594 0.960 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)CC1 ZINC001468650219 1069147917 /nfs/dbraw/zinc/14/79/17/1069147917.db2.gz CVDIGYQRGGZWCH-UHFFFAOYSA-N 2 2 447.671 0.567 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)CC1 ZINC001468650219 1069147910 /nfs/dbraw/zinc/14/79/10/1069147910.db2.gz CVDIGYQRGGZWCH-UHFFFAOYSA-N 2 2 447.671 0.567 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664062 1069150492 /nfs/dbraw/zinc/15/04/92/1069150492.db2.gz VEMGJOPITBPTTH-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664062 1069150487 /nfs/dbraw/zinc/15/04/87/1069150487.db2.gz VEMGJOPITBPTTH-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664062 1069150484 /nfs/dbraw/zinc/15/04/84/1069150484.db2.gz VEMGJOPITBPTTH-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664062 1069150479 /nfs/dbraw/zinc/15/04/79/1069150479.db2.gz VEMGJOPITBPTTH-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664063 1069150231 /nfs/dbraw/zinc/15/02/31/1069150231.db2.gz VEMGJOPITBPTTH-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664063 1069150222 /nfs/dbraw/zinc/15/02/22/1069150222.db2.gz VEMGJOPITBPTTH-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664063 1069150213 /nfs/dbraw/zinc/15/02/13/1069150213.db2.gz VEMGJOPITBPTTH-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664063 1069150204 /nfs/dbraw/zinc/15/02/04/1069150204.db2.gz VEMGJOPITBPTTH-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664064 1069150291 /nfs/dbraw/zinc/15/02/91/1069150291.db2.gz VEMGJOPITBPTTH-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664064 1069150282 /nfs/dbraw/zinc/15/02/82/1069150282.db2.gz VEMGJOPITBPTTH-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664064 1069150279 /nfs/dbraw/zinc/15/02/79/1069150279.db2.gz VEMGJOPITBPTTH-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664064 1069150271 /nfs/dbraw/zinc/15/02/71/1069150271.db2.gz VEMGJOPITBPTTH-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664065 1069150464 /nfs/dbraw/zinc/15/04/64/1069150464.db2.gz VEMGJOPITBPTTH-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664065 1069150458 /nfs/dbraw/zinc/15/04/58/1069150458.db2.gz VEMGJOPITBPTTH-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664065 1069150453 /nfs/dbraw/zinc/15/04/53/1069150453.db2.gz VEMGJOPITBPTTH-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664065 1069150449 /nfs/dbraw/zinc/15/04/49/1069150449.db2.gz VEMGJOPITBPTTH-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173164 /nfs/dbraw/zinc/17/31/64/1069173164.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173158 /nfs/dbraw/zinc/17/31/58/1069173158.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173154 /nfs/dbraw/zinc/17/31/54/1069173154.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173147 /nfs/dbraw/zinc/17/31/47/1069173147.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173261 /nfs/dbraw/zinc/17/32/61/1069173261.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173258 /nfs/dbraw/zinc/17/32/58/1069173258.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173253 /nfs/dbraw/zinc/17/32/53/1069173253.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173251 /nfs/dbraw/zinc/17/32/51/1069173251.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173348 /nfs/dbraw/zinc/17/33/48/1069173348.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173341 /nfs/dbraw/zinc/17/33/41/1069173341.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173333 /nfs/dbraw/zinc/17/33/33/1069173333.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173328 /nfs/dbraw/zinc/17/33/28/1069173328.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173091 /nfs/dbraw/zinc/17/30/91/1069173091.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173083 /nfs/dbraw/zinc/17/30/83/1069173083.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173077 /nfs/dbraw/zinc/17/30/77/1069173077.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 2 430.597 0.689 20 0 ICADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173069 /nfs/dbraw/zinc/17/30/69/1069173069.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 2 430.597 0.689 20 0 ICADLP Cn1ncc(I)c1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001468871381 1069174123 /nfs/dbraw/zinc/17/41/23/1069174123.db2.gz AGQSRJKJSGRUMF-GFCCVEGCSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1ncc(I)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001468871381 1069174116 /nfs/dbraw/zinc/17/41/16/1069174116.db2.gz AGQSRJKJSGRUMF-GFCCVEGCSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1ncc(I)c1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001468871383 1069173922 /nfs/dbraw/zinc/17/39/22/1069173922.db2.gz AGQSRJKJSGRUMF-LBPRGKRZSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1ncc(I)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001468871383 1069173916 /nfs/dbraw/zinc/17/39/16/1069173916.db2.gz AGQSRJKJSGRUMF-LBPRGKRZSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1cc(I)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001468873293 1069174672 /nfs/dbraw/zinc/17/46/72/1069174672.db2.gz QHAWKHSVWWCWBL-GFCCVEGCSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1cc(I)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001468873293 1069174666 /nfs/dbraw/zinc/17/46/66/1069174666.db2.gz QHAWKHSVWWCWBL-GFCCVEGCSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1cc(I)c(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001468873294 1069174763 /nfs/dbraw/zinc/17/47/63/1069174763.db2.gz QHAWKHSVWWCWBL-LBPRGKRZSA-N 2 2 446.337 0.992 20 0 ICADLP Cn1cc(I)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001468873294 1069174756 /nfs/dbraw/zinc/17/47/56/1069174756.db2.gz QHAWKHSVWWCWBL-LBPRGKRZSA-N 2 2 446.337 0.992 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)CC1 ZINC001468874078 1069175098 /nfs/dbraw/zinc/17/50/98/1069175098.db2.gz XTFSECIQKIBJKL-CGTJXYLNSA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)CC1 ZINC001468874078 1069175081 /nfs/dbraw/zinc/17/50/81/1069175081.db2.gz XTFSECIQKIBJKL-CGTJXYLNSA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)CC1 ZINC001468874079 1069174885 /nfs/dbraw/zinc/17/48/85/1069174885.db2.gz XTFSECIQKIBJKL-JQHSSLGASA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)CC1 ZINC001468874079 1069174878 /nfs/dbraw/zinc/17/48/78/1069174878.db2.gz XTFSECIQKIBJKL-JQHSSLGASA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)CC1 ZINC001468874080 1069174715 /nfs/dbraw/zinc/17/47/15/1069174715.db2.gz XTFSECIQKIBJKL-RYQLBKOJSA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)CC1 ZINC001468874080 1069174710 /nfs/dbraw/zinc/17/47/10/1069174710.db2.gz XTFSECIQKIBJKL-RYQLBKOJSA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)CC1 ZINC001468874081 1069174974 /nfs/dbraw/zinc/17/49/74/1069174974.db2.gz XTFSECIQKIBJKL-SZMVWBNQSA-N 2 2 425.574 0.824 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)CC1 ZINC001468874081 1069174967 /nfs/dbraw/zinc/17/49/67/1069174967.db2.gz XTFSECIQKIBJKL-SZMVWBNQSA-N 2 2 425.574 0.824 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001469129549 1069200785 /nfs/dbraw/zinc/20/07/85/1069200785.db2.gz KWLFZVQDBHOZHV-YADHBBJMSA-N 2 2 429.565 0.999 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001469129549 1069200771 /nfs/dbraw/zinc/20/07/71/1069200771.db2.gz KWLFZVQDBHOZHV-YADHBBJMSA-N 2 2 429.565 0.999 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CC(=O)N(c4cnn(CCOC)c4)C3)CC2)CC1 ZINC001469129860 1069201335 /nfs/dbraw/zinc/20/13/35/1069201335.db2.gz NZIBXYKCFDOHGZ-IBGZPJMESA-N 2 2 446.596 0.901 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CC(=O)N(c4cnn(CCOC)c4)C3)CC2)CC1 ZINC001469129860 1069201332 /nfs/dbraw/zinc/20/13/32/1069201332.db2.gz NZIBXYKCFDOHGZ-IBGZPJMESA-N 2 2 446.596 0.901 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cnn(CCOC)c4)C3)CC2)CC1 ZINC001469129861 1069201387 /nfs/dbraw/zinc/20/13/87/1069201387.db2.gz NZIBXYKCFDOHGZ-LJQANCHMSA-N 2 2 446.596 0.901 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cnn(CCOC)c4)C3)CC2)CC1 ZINC001469129861 1069201379 /nfs/dbraw/zinc/20/13/79/1069201379.db2.gz NZIBXYKCFDOHGZ-LJQANCHMSA-N 2 2 446.596 0.901 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC001469130205 1069201279 /nfs/dbraw/zinc/20/12/79/1069201279.db2.gz UORNGGQBSCVBRE-UHFFFAOYSA-N 2 2 442.564 0.573 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC001469130205 1069201274 /nfs/dbraw/zinc/20/12/74/1069201274.db2.gz UORNGGQBSCVBRE-UHFFFAOYSA-N 2 2 442.564 0.573 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn43)CC2)CC1 ZINC001469130463 1069201343 /nfs/dbraw/zinc/20/13/43/1069201343.db2.gz WGDREMNNQDDHQN-UHFFFAOYSA-N 2 2 434.566 0.614 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn43)CC2)CC1 ZINC001469130463 1069201342 /nfs/dbraw/zinc/20/13/42/1069201342.db2.gz WGDREMNNQDDHQN-UHFFFAOYSA-N 2 2 434.566 0.614 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)CC1 ZINC001469468590 1069228122 /nfs/dbraw/zinc/22/81/22/1069228122.db2.gz MURXICRULNAQCX-UHFFFAOYSA-N 2 2 438.598 0.562 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)CC1 ZINC001469468590 1069228107 /nfs/dbraw/zinc/22/81/07/1069228107.db2.gz MURXICRULNAQCX-UHFFFAOYSA-N 2 2 438.598 0.562 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546050 1069232667 /nfs/dbraw/zinc/23/26/67/1069232667.db2.gz PBLGJUIDTNQJFQ-GHTZIAJQSA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546050 1069232648 /nfs/dbraw/zinc/23/26/48/1069232648.db2.gz PBLGJUIDTNQJFQ-GHTZIAJQSA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546055 1069233132 /nfs/dbraw/zinc/23/31/32/1069233132.db2.gz PBLGJUIDTNQJFQ-NQIIRXRSSA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546055 1069233120 /nfs/dbraw/zinc/23/31/20/1069233120.db2.gz PBLGJUIDTNQJFQ-NQIIRXRSSA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546057 1069232945 /nfs/dbraw/zinc/23/29/45/1069232945.db2.gz PBLGJUIDTNQJFQ-RXVVDRJESA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546057 1069232932 /nfs/dbraw/zinc/23/29/32/1069232932.db2.gz PBLGJUIDTNQJFQ-RXVVDRJESA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546059 1069233594 /nfs/dbraw/zinc/23/35/94/1069233594.db2.gz PBLGJUIDTNQJFQ-WIYYLYMNSA-N 2 2 442.626 0.924 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001469546059 1069233579 /nfs/dbraw/zinc/23/35/79/1069233579.db2.gz PBLGJUIDTNQJFQ-WIYYLYMNSA-N 2 2 442.626 0.924 20 0 ICADLP COCCOCC[NH+]1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC001469673660 1069241147 /nfs/dbraw/zinc/24/11/47/1069241147.db2.gz HLZRHEFQLFPEJF-UHFFFAOYSA-N 2 2 442.564 0.984 20 0 ICADLP COCCOCC[NH+]1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC001469673660 1069241131 /nfs/dbraw/zinc/24/11/31/1069241131.db2.gz HLZRHEFQLFPEJF-UHFFFAOYSA-N 2 2 442.564 0.984 20 0 ICADLP CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC001470006064 1069271398 /nfs/dbraw/zinc/27/13/98/1069271398.db2.gz JJJPXKYXCVQIPB-UHFFFAOYSA-N 2 2 435.388 0.971 20 0 ICADLP CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC001470006064 1069271385 /nfs/dbraw/zinc/27/13/85/1069271385.db2.gz JJJPXKYXCVQIPB-UHFFFAOYSA-N 2 2 435.388 0.971 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224718 1069292693 /nfs/dbraw/zinc/29/26/93/1069292693.db2.gz CXOGKDZVPYBXCD-JTAQYXEDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224718 1069292684 /nfs/dbraw/zinc/29/26/84/1069292684.db2.gz CXOGKDZVPYBXCD-JTAQYXEDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224718 1069292677 /nfs/dbraw/zinc/29/26/77/1069292677.db2.gz CXOGKDZVPYBXCD-JTAQYXEDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224718 1069292669 /nfs/dbraw/zinc/29/26/69/1069292669.db2.gz CXOGKDZVPYBXCD-JTAQYXEDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224722 1069292770 /nfs/dbraw/zinc/29/27/70/1069292770.db2.gz CXOGKDZVPYBXCD-MIZPHKNDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224722 1069292758 /nfs/dbraw/zinc/29/27/58/1069292758.db2.gz CXOGKDZVPYBXCD-MIZPHKNDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224722 1069292750 /nfs/dbraw/zinc/29/27/50/1069292750.db2.gz CXOGKDZVPYBXCD-MIZPHKNDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224722 1069292746 /nfs/dbraw/zinc/29/27/46/1069292746.db2.gz CXOGKDZVPYBXCD-MIZPHKNDSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224724 1069292418 /nfs/dbraw/zinc/29/24/18/1069292418.db2.gz CXOGKDZVPYBXCD-MZKRTTBSSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224724 1069292405 /nfs/dbraw/zinc/29/24/05/1069292405.db2.gz CXOGKDZVPYBXCD-MZKRTTBSSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224724 1069292390 /nfs/dbraw/zinc/29/23/90/1069292390.db2.gz CXOGKDZVPYBXCD-MZKRTTBSSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC001470224724 1069292377 /nfs/dbraw/zinc/29/23/77/1069292377.db2.gz CXOGKDZVPYBXCD-MZKRTTBSSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224727 1069292586 /nfs/dbraw/zinc/29/25/86/1069292586.db2.gz CXOGKDZVPYBXCD-SXWKCWPCSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224727 1069292579 /nfs/dbraw/zinc/29/25/79/1069292579.db2.gz CXOGKDZVPYBXCD-SXWKCWPCSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224727 1069292566 /nfs/dbraw/zinc/29/25/66/1069292566.db2.gz CXOGKDZVPYBXCD-SXWKCWPCSA-N 2 2 433.597 0.966 20 0 ICADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC001470224727 1069292554 /nfs/dbraw/zinc/29/25/54/1069292554.db2.gz CXOGKDZVPYBXCD-SXWKCWPCSA-N 2 2 433.597 0.966 20 0 ICADLP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001470377567 1069313249 /nfs/dbraw/zinc/31/32/49/1069313249.db2.gz IARZLPQTDBROGG-JOCHJYFZSA-N 2 2 435.569 0.827 20 0 ICADLP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001470377567 1069313235 /nfs/dbraw/zinc/31/32/35/1069313235.db2.gz IARZLPQTDBROGG-JOCHJYFZSA-N 2 2 435.569 0.827 20 0 ICADLP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001470377569 1069313370 /nfs/dbraw/zinc/31/33/70/1069313370.db2.gz IARZLPQTDBROGG-QFIPXVFZSA-N 2 2 435.569 0.827 20 0 ICADLP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001470377569 1069313357 /nfs/dbraw/zinc/31/33/57/1069313357.db2.gz IARZLPQTDBROGG-QFIPXVFZSA-N 2 2 435.569 0.827 20 0 ICADLP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[NH+]1CCN(C)CC1 ZINC001470522310 1069323683 /nfs/dbraw/zinc/32/36/83/1069323683.db2.gz KIZHODXLEHBOMQ-GOSISDBHSA-N 2 2 430.597 0.819 20 0 ICADLP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[NH+]1CCN(C)CC1 ZINC001470522311 1069323901 /nfs/dbraw/zinc/32/39/01/1069323901.db2.gz KIZHODXLEHBOMQ-SFHVURJKSA-N 2 2 430.597 0.819 20 0 ICADLP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001470570542 1069327199 /nfs/dbraw/zinc/32/71/99/1069327199.db2.gz FDPNXOIFAATMMF-UHFFFAOYSA-N 2 2 442.608 0.562 20 0 ICADLP CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001470570542 1069327182 /nfs/dbraw/zinc/32/71/82/1069327182.db2.gz FDPNXOIFAATMMF-UHFFFAOYSA-N 2 2 442.608 0.562 20 0 ICADLP COc1cccc(C[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[NH2+]2)c1 ZINC001470732707 1069347968 /nfs/dbraw/zinc/34/79/68/1069347968.db2.gz ZMVZRUPGSTZKQH-IFMALSPDSA-N 2 2 444.576 0.751 20 0 ICADLP COc1cccc(C[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[NH2+]2)c1 ZINC001470732708 1069348406 /nfs/dbraw/zinc/34/84/06/1069348406.db2.gz ZMVZRUPGSTZKQH-IRLDBZIGSA-N 2 2 444.576 0.751 20 0 ICADLP COc1cccc(C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[NH2+]2)c1 ZINC001470732709 1069348181 /nfs/dbraw/zinc/34/81/81/1069348181.db2.gz ZMVZRUPGSTZKQH-RBBKRZOGSA-N 2 2 444.576 0.751 20 0 ICADLP COc1cccc(C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[NH2+]2)c1 ZINC001470732710 1069348133 /nfs/dbraw/zinc/34/81/33/1069348133.db2.gz ZMVZRUPGSTZKQH-UNMCSNQZSA-N 2 2 444.576 0.751 20 0 ICADLP CN(C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001470914292 1069368246 /nfs/dbraw/zinc/36/82/46/1069368246.db2.gz VTIMNXXGIBVNHL-INIZCTEOSA-N 2 2 427.546 0.783 20 0 ICADLP CN(C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001470914292 1069368240 /nfs/dbraw/zinc/36/82/40/1069368240.db2.gz VTIMNXXGIBVNHL-INIZCTEOSA-N 2 2 427.546 0.783 20 0 ICADLP CN(C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001470914294 1069368368 /nfs/dbraw/zinc/36/83/68/1069368368.db2.gz VTIMNXXGIBVNHL-MRXNPFEDSA-N 2 2 427.546 0.783 20 0 ICADLP CN(C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001470914294 1069368360 /nfs/dbraw/zinc/36/83/60/1069368360.db2.gz VTIMNXXGIBVNHL-MRXNPFEDSA-N 2 2 427.546 0.783 20 0 ICADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001471047956 1069383722 /nfs/dbraw/zinc/38/37/22/1069383722.db2.gz FDAINDJCXJREOV-AWEZNQCLSA-N 2 2 446.533 0.238 20 0 ICADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001471047957 1069383839 /nfs/dbraw/zinc/38/38/39/1069383839.db2.gz FDAINDJCXJREOV-CQSZACIVSA-N 2 2 446.533 0.238 20 0 ICADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)c1 ZINC001471098991 1069389790 /nfs/dbraw/zinc/38/97/90/1069389790.db2.gz AVTGHWGPPLUCBF-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)c1 ZINC001471098991 1069389779 /nfs/dbraw/zinc/38/97/79/1069389779.db2.gz AVTGHWGPPLUCBF-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)c1 ZINC001471098991 1069389771 /nfs/dbraw/zinc/38/97/71/1069389771.db2.gz AVTGHWGPPLUCBF-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)c1 ZINC001471098991 1069389746 /nfs/dbraw/zinc/38/97/46/1069389746.db2.gz AVTGHWGPPLUCBF-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)c1 ZINC001471098992 1069389877 /nfs/dbraw/zinc/38/98/77/1069389877.db2.gz AVTGHWGPPLUCBF-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)c1 ZINC001471098992 1069389872 /nfs/dbraw/zinc/38/98/72/1069389872.db2.gz AVTGHWGPPLUCBF-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)c1 ZINC001471098992 1069389866 /nfs/dbraw/zinc/38/98/66/1069389866.db2.gz AVTGHWGPPLUCBF-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)c1 ZINC001471098992 1069389862 /nfs/dbraw/zinc/38/98/62/1069389862.db2.gz AVTGHWGPPLUCBF-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104225 1069390988 /nfs/dbraw/zinc/39/09/88/1069390988.db2.gz WDQMNMWXUGWGLU-GOSISDBHSA-N 2 2 437.585 0.741 20 0 ICADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104225 1069390972 /nfs/dbraw/zinc/39/09/72/1069390972.db2.gz WDQMNMWXUGWGLU-GOSISDBHSA-N 2 2 437.585 0.741 20 0 ICADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104227 1069391173 /nfs/dbraw/zinc/39/11/73/1069391173.db2.gz WDQMNMWXUGWGLU-SFHVURJKSA-N 2 2 437.585 0.741 20 0 ICADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104227 1069391161 /nfs/dbraw/zinc/39/11/61/1069391161.db2.gz WDQMNMWXUGWGLU-SFHVURJKSA-N 2 2 437.585 0.741 20 0 ICADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)cc1 ZINC001471111079 1069392465 /nfs/dbraw/zinc/39/24/65/1069392465.db2.gz SKKGPOZDESZHIS-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)cc1 ZINC001471111079 1069392458 /nfs/dbraw/zinc/39/24/58/1069392458.db2.gz SKKGPOZDESZHIS-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)cc1 ZINC001471111079 1069392452 /nfs/dbraw/zinc/39/24/52/1069392452.db2.gz SKKGPOZDESZHIS-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)cc1 ZINC001471111079 1069392446 /nfs/dbraw/zinc/39/24/46/1069392446.db2.gz SKKGPOZDESZHIS-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2)cc1 ZINC001471111081 1069392135 /nfs/dbraw/zinc/39/21/35/1069392135.db2.gz SKKGPOZDESZHIS-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)cc1 ZINC001471111081 1069392122 /nfs/dbraw/zinc/39/21/22/1069392122.db2.gz SKKGPOZDESZHIS-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)cc1 ZINC001471111081 1069392108 /nfs/dbraw/zinc/39/21/08/1069392108.db2.gz SKKGPOZDESZHIS-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C2)cc1 ZINC001471111081 1069392090 /nfs/dbraw/zinc/39/20/90/1069392090.db2.gz SKKGPOZDESZHIS-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001471129546 1069392949 /nfs/dbraw/zinc/39/29/49/1069392949.db2.gz ZSWPPWDOJCEQPQ-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001471129546 1069392935 /nfs/dbraw/zinc/39/29/35/1069392935.db2.gz ZSWPPWDOJCEQPQ-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001471129546 1069392919 /nfs/dbraw/zinc/39/29/19/1069392919.db2.gz ZSWPPWDOJCEQPQ-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001471129546 1069392894 /nfs/dbraw/zinc/39/28/94/1069392894.db2.gz ZSWPPWDOJCEQPQ-QNWVGRARSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001471129547 1069393304 /nfs/dbraw/zinc/39/33/04/1069393304.db2.gz ZSWPPWDOJCEQPQ-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001471129547 1069393295 /nfs/dbraw/zinc/39/32/95/1069393295.db2.gz ZSWPPWDOJCEQPQ-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001471129547 1069393282 /nfs/dbraw/zinc/39/32/82/1069393282.db2.gz ZSWPPWDOJCEQPQ-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001471129547 1069393269 /nfs/dbraw/zinc/39/32/69/1069393269.db2.gz ZSWPPWDOJCEQPQ-QZNHQXDQSA-N 2 2 432.565 0.721 20 0 ICADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471181966 1069399682 /nfs/dbraw/zinc/39/96/82/1069399682.db2.gz LLUYPFCRSZYDNG-NRFANRHFSA-N 2 2 431.585 0.143 20 0 ICADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471181966 1069399674 /nfs/dbraw/zinc/39/96/74/1069399674.db2.gz LLUYPFCRSZYDNG-NRFANRHFSA-N 2 2 431.585 0.143 20 0 ICADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471181967 1069399958 /nfs/dbraw/zinc/39/99/58/1069399958.db2.gz LLUYPFCRSZYDNG-OAQYLSRUSA-N 2 2 431.585 0.143 20 0 ICADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471181967 1069399948 /nfs/dbraw/zinc/39/99/48/1069399948.db2.gz LLUYPFCRSZYDNG-OAQYLSRUSA-N 2 2 431.585 0.143 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471183181 1069400580 /nfs/dbraw/zinc/40/05/80/1069400580.db2.gz BLNHOJGZVIDMEM-MSOLQXFVSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471183181 1069400573 /nfs/dbraw/zinc/40/05/73/1069400573.db2.gz BLNHOJGZVIDMEM-MSOLQXFVSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471183186 1069400534 /nfs/dbraw/zinc/40/05/34/1069400534.db2.gz BLNHOJGZVIDMEM-QZTJIDSGSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471183186 1069400530 /nfs/dbraw/zinc/40/05/30/1069400530.db2.gz BLNHOJGZVIDMEM-QZTJIDSGSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471183188 1069400484 /nfs/dbraw/zinc/40/04/84/1069400484.db2.gz BLNHOJGZVIDMEM-ROUUACIJSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471183188 1069400480 /nfs/dbraw/zinc/40/04/80/1069400480.db2.gz BLNHOJGZVIDMEM-ROUUACIJSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471183190 1069400618 /nfs/dbraw/zinc/40/06/18/1069400618.db2.gz BLNHOJGZVIDMEM-ZWKOTPCHSA-N 2 2 444.584 0.907 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471183190 1069400614 /nfs/dbraw/zinc/40/06/14/1069400614.db2.gz BLNHOJGZVIDMEM-ZWKOTPCHSA-N 2 2 444.584 0.907 20 0 ICADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001471278271 1069409843 /nfs/dbraw/zinc/40/98/43/1069409843.db2.gz HLFGDBKAIGPJOG-UHFFFAOYSA-N 2 2 438.577 0.753 20 0 ICADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001471278271 1069409837 /nfs/dbraw/zinc/40/98/37/1069409837.db2.gz HLFGDBKAIGPJOG-UHFFFAOYSA-N 2 2 438.577 0.753 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471378530 1069424777 /nfs/dbraw/zinc/42/47/77/1069424777.db2.gz QOSRXVCIZIWTSF-DLBZAZTESA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471378530 1069424773 /nfs/dbraw/zinc/42/47/73/1069424773.db2.gz QOSRXVCIZIWTSF-DLBZAZTESA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471378531 1069424536 /nfs/dbraw/zinc/42/45/36/1069424536.db2.gz QOSRXVCIZIWTSF-IAGOWNOFSA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471378531 1069424531 /nfs/dbraw/zinc/42/45/31/1069424531.db2.gz QOSRXVCIZIWTSF-IAGOWNOFSA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471378532 1069424674 /nfs/dbraw/zinc/42/46/74/1069424674.db2.gz QOSRXVCIZIWTSF-IRXDYDNUSA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471378532 1069424666 /nfs/dbraw/zinc/42/46/66/1069424666.db2.gz QOSRXVCIZIWTSF-IRXDYDNUSA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471378533 1069424824 /nfs/dbraw/zinc/42/48/24/1069424824.db2.gz QOSRXVCIZIWTSF-SJORKVTESA-N 2 2 430.557 0.896 20 0 ICADLP CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471378533 1069424820 /nfs/dbraw/zinc/42/48/20/1069424820.db2.gz QOSRXVCIZIWTSF-SJORKVTESA-N 2 2 430.557 0.896 20 0 ICADLP CC[NH+]1CCN(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001472364451 1069556056 /nfs/dbraw/zinc/55/60/56/1069556056.db2.gz UNMONBZQPCZHSM-JOCHJYFZSA-N 2 2 429.609 0.906 20 0 ICADLP CC[NH+]1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001472364452 1069556112 /nfs/dbraw/zinc/55/61/12/1069556112.db2.gz UNMONBZQPCZHSM-QFIPXVFZSA-N 2 2 429.609 0.906 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001472579659 1069570364 /nfs/dbraw/zinc/57/03/64/1069570364.db2.gz MQSZQPLSVMKWSE-UHFFFAOYSA-N 2 2 427.571 0.588 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001472579659 1069570358 /nfs/dbraw/zinc/57/03/58/1069570358.db2.gz MQSZQPLSVMKWSE-UHFFFAOYSA-N 2 2 427.571 0.588 20 0 ICADLP CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001473153314 1069584534 /nfs/dbraw/zinc/58/45/34/1069584534.db2.gz BLFRPWPHSOWNCB-GSVIPDFHSA-N 2 2 427.586 0.708 20 0 ICADLP CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001473153315 1069584193 /nfs/dbraw/zinc/58/41/93/1069584193.db2.gz BLFRPWPHSOWNCB-LVIWNVNYSA-N 2 2 427.586 0.708 20 0 ICADLP CC(C)CNC(=O)C1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCC1 ZINC001473245976 1069586278 /nfs/dbraw/zinc/58/62/78/1069586278.db2.gz HLTNVZNTQWHLPB-UHFFFAOYSA-N 2 2 442.568 0.687 20 0 ICADLP CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001473364950 1069589603 /nfs/dbraw/zinc/58/96/03/1069589603.db2.gz HXCJIXKOTBLETA-UHFFFAOYSA-N 2 2 435.535 0.815 20 0 ICADLP COC(=O)[C@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC[N@@H+](C)C1 ZINC001473557231 1069601855 /nfs/dbraw/zinc/60/18/55/1069601855.db2.gz QKKFOISMDMSXLB-GOSISDBHSA-N 2 2 432.569 0.594 20 0 ICADLP COC(=O)[C@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC[N@H+](C)C1 ZINC001473557231 1069601851 /nfs/dbraw/zinc/60/18/51/1069601851.db2.gz QKKFOISMDMSXLB-GOSISDBHSA-N 2 2 432.569 0.594 20 0 ICADLP COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC[N@@H+](C)C1 ZINC001473557236 1069601935 /nfs/dbraw/zinc/60/19/35/1069601935.db2.gz QKKFOISMDMSXLB-SFHVURJKSA-N 2 2 432.569 0.594 20 0 ICADLP COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC[N@H+](C)C1 ZINC001473557236 1069601928 /nfs/dbraw/zinc/60/19/28/1069601928.db2.gz QKKFOISMDMSXLB-SFHVURJKSA-N 2 2 432.569 0.594 20 0 ICADLP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473643936 1069612356 /nfs/dbraw/zinc/61/23/56/1069612356.db2.gz ZFPYEZBAPBEARL-UHFFFAOYSA-N 2 2 445.564 0.563 20 0 ICADLP COC(=O)[C@@]1(N2CC[NH+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)CCOC1 ZINC001473657770 1069614482 /nfs/dbraw/zinc/61/44/82/1069614482.db2.gz LAXYJFUBJVRCFO-JOCHJYFZSA-N 2 2 431.537 0.070 20 0 ICADLP COC(=O)[C@]1(N2CC[NH+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)CCOC1 ZINC001473657772 1069614549 /nfs/dbraw/zinc/61/45/49/1069614549.db2.gz LAXYJFUBJVRCFO-QFIPXVFZSA-N 2 2 431.537 0.070 20 0 ICADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001473683664 1069618824 /nfs/dbraw/zinc/61/88/24/1069618824.db2.gz SNSISSAHHBOPMV-UHFFFAOYSA-N 2 2 440.566 0.035 20 0 ICADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@@H](CNS(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC001473777071 1069633133 /nfs/dbraw/zinc/63/31/33/1069633133.db2.gz WNLWAJKBGQFXJM-KRWDZBQOSA-N 2 2 438.598 0.428 20 0 ICADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CNS(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC001473777071 1069633129 /nfs/dbraw/zinc/63/31/29/1069633129.db2.gz WNLWAJKBGQFXJM-KRWDZBQOSA-N 2 2 438.598 0.428 20 0 ICADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](CNS(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC001473777076 1069633072 /nfs/dbraw/zinc/63/30/72/1069633072.db2.gz WNLWAJKBGQFXJM-QGZVFWFLSA-N 2 2 438.598 0.428 20 0 ICADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H](CNS(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC001473777076 1069633068 /nfs/dbraw/zinc/63/30/68/1069633068.db2.gz WNLWAJKBGQFXJM-QGZVFWFLSA-N 2 2 438.598 0.428 20 0 ICADLP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001474264287 1069649321 /nfs/dbraw/zinc/64/93/21/1069649321.db2.gz YKBOQCCCYXWADH-UHFFFAOYSA-N 2 2 425.537 0.093 20 0 ICADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156159 1069705346 /nfs/dbraw/zinc/70/53/46/1069705346.db2.gz FHMXJTQKPARRPQ-CVEARBPZSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156159 1069705334 /nfs/dbraw/zinc/70/53/34/1069705334.db2.gz FHMXJTQKPARRPQ-CVEARBPZSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156161 1069705283 /nfs/dbraw/zinc/70/52/83/1069705283.db2.gz FHMXJTQKPARRPQ-HOTGVXAUSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156161 1069705276 /nfs/dbraw/zinc/70/52/76/1069705276.db2.gz FHMXJTQKPARRPQ-HOTGVXAUSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156162 1069705190 /nfs/dbraw/zinc/70/51/90/1069705190.db2.gz FHMXJTQKPARRPQ-HZPDHXFCSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156162 1069705180 /nfs/dbraw/zinc/70/51/80/1069705180.db2.gz FHMXJTQKPARRPQ-HZPDHXFCSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156163 1069705096 /nfs/dbraw/zinc/70/50/96/1069705096.db2.gz FHMXJTQKPARRPQ-JKSUJKDBSA-N 2 2 427.571 0.444 20 0 ICADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001475156163 1069705089 /nfs/dbraw/zinc/70/50/89/1069705089.db2.gz FHMXJTQKPARRPQ-JKSUJKDBSA-N 2 2 427.571 0.444 20 0 ICADLP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC001476106345 1069858053 /nfs/dbraw/zinc/85/80/53/1069858053.db2.gz RPJWBRLONFJCBD-GOSISDBHSA-N 2 2 437.566 0.296 20 0 ICADLP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC001476106345 1069858025 /nfs/dbraw/zinc/85/80/25/1069858025.db2.gz RPJWBRLONFJCBD-GOSISDBHSA-N 2 2 437.566 0.296 20 0 ICADLP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC([NH+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC001476106345 1069857996 /nfs/dbraw/zinc/85/79/96/1069857996.db2.gz RPJWBRLONFJCBD-GOSISDBHSA-N 2 2 437.566 0.296 20 0 ICADLP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC([NH+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC001476106345 1069857968 /nfs/dbraw/zinc/85/79/68/1069857968.db2.gz RPJWBRLONFJCBD-GOSISDBHSA-N 2 2 437.566 0.296 20 0 ICADLP CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC001476554584 1069884267 /nfs/dbraw/zinc/88/42/67/1069884267.db2.gz TXPOUAFGZZWOBH-UHFFFAOYSA-N 2 2 430.553 0.924 20 0 ICADLP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH+](C(COC)COC)CC3)cn2)CC1 ZINC001477249521 1069910126 /nfs/dbraw/zinc/91/01/26/1069910126.db2.gz AYEZHZZCRTVDJO-UHFFFAOYSA-N 2 2 434.585 0.712 20 0 ICADLP CC1(C)CC[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477275063 1069912484 /nfs/dbraw/zinc/91/24/84/1069912484.db2.gz JAHIFXJIFLJBCW-UHFFFAOYSA-N 2 2 438.598 0.565 20 0 ICADLP CC1(C)CC[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477275063 1069912480 /nfs/dbraw/zinc/91/24/80/1069912480.db2.gz JAHIFXJIFLJBCW-UHFFFAOYSA-N 2 2 438.598 0.565 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477319640 1069915392 /nfs/dbraw/zinc/91/53/92/1069915392.db2.gz LGFATALDRZDECW-NRFANRHFSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477319640 1069915389 /nfs/dbraw/zinc/91/53/89/1069915389.db2.gz LGFATALDRZDECW-NRFANRHFSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477319640 1069915384 /nfs/dbraw/zinc/91/53/84/1069915384.db2.gz LGFATALDRZDECW-NRFANRHFSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477319640 1069915378 /nfs/dbraw/zinc/91/53/78/1069915378.db2.gz LGFATALDRZDECW-NRFANRHFSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477319641 1069915619 /nfs/dbraw/zinc/91/56/19/1069915619.db2.gz LGFATALDRZDECW-OAQYLSRUSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477319641 1069915613 /nfs/dbraw/zinc/91/56/13/1069915613.db2.gz LGFATALDRZDECW-OAQYLSRUSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477319641 1069915604 /nfs/dbraw/zinc/91/56/04/1069915604.db2.gz LGFATALDRZDECW-OAQYLSRUSA-N 2 2 431.581 0.941 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477319641 1069915600 /nfs/dbraw/zinc/91/56/00/1069915600.db2.gz LGFATALDRZDECW-OAQYLSRUSA-N 2 2 431.581 0.941 20 0 ICADLP C[NH+]1CCN(c2cc(CNC(=O)NCC3([NH+]4CCOCC4)CCOCC3)ccn2)CC1 ZINC001477397790 1069922046 /nfs/dbraw/zinc/92/20/46/1069922046.db2.gz GABZKDKXWSWYCZ-UHFFFAOYSA-N 2 2 432.569 0.514 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477412483 1069924187 /nfs/dbraw/zinc/92/41/87/1069924187.db2.gz YAJCTMNEAWBSOF-KRWDZBQOSA-N 2 2 431.537 0.836 20 0 ICADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477412483 1069924181 /nfs/dbraw/zinc/92/41/81/1069924181.db2.gz YAJCTMNEAWBSOF-KRWDZBQOSA-N 2 2 431.537 0.836 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477412485 1069924063 /nfs/dbraw/zinc/92/40/63/1069924063.db2.gz YAJCTMNEAWBSOF-QGZVFWFLSA-N 2 2 431.537 0.836 20 0 ICADLP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[N@H+](C)C1 ZINC001477412485 1069924057 /nfs/dbraw/zinc/92/40/57/1069924057.db2.gz YAJCTMNEAWBSOF-QGZVFWFLSA-N 2 2 431.537 0.836 20 0 ICADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CC1 ZINC001477413156 1069924021 /nfs/dbraw/zinc/92/40/21/1069924021.db2.gz LHCGPUNWEWIOCO-JOCHJYFZSA-N 2 2 432.569 0.248 20 0 ICADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CC1 ZINC001477413156 1069924018 /nfs/dbraw/zinc/92/40/18/1069924018.db2.gz LHCGPUNWEWIOCO-JOCHJYFZSA-N 2 2 432.569 0.248 20 0 ICADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CC1 ZINC001477413157 1069924165 /nfs/dbraw/zinc/92/41/65/1069924165.db2.gz LHCGPUNWEWIOCO-QFIPXVFZSA-N 2 2 432.569 0.248 20 0 ICADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CC1 ZINC001477413157 1069924163 /nfs/dbraw/zinc/92/41/63/1069924163.db2.gz LHCGPUNWEWIOCO-QFIPXVFZSA-N 2 2 432.569 0.248 20 0 ICADLP C[NH+]1CCC2(CC1)CN(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC001477660014 1069938847 /nfs/dbraw/zinc/93/88/47/1069938847.db2.gz GGWGDXNOSZLHBP-UHFFFAOYSA-N 2 2 430.553 0.627 20 0 ICADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001477670093 1069939407 /nfs/dbraw/zinc/93/94/07/1069939407.db2.gz MXROZZXLFAFTRK-UHFFFAOYSA-N 2 2 432.569 0.514 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2)CC1 ZINC001477687226 1069939994 /nfs/dbraw/zinc/93/99/94/1069939994.db2.gz NVUZKCHSZZKBLW-UHFFFAOYSA-N 3 2 436.645 0.641 20 0 ICADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)CC3C[NH+](C)C3)cc2)CC1 ZINC001477755697 1069945354 /nfs/dbraw/zinc/94/53/54/1069945354.db2.gz JOZMJRRHKMUBLP-UHFFFAOYSA-N 2 2 431.581 0.975 20 0 ICADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001477798376 1069948594 /nfs/dbraw/zinc/94/85/94/1069948594.db2.gz FKZDIORJUCIOEU-FQEVSTJZSA-N 2 2 438.594 0.561 20 0 ICADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001477798376 1069948588 /nfs/dbraw/zinc/94/85/88/1069948588.db2.gz FKZDIORJUCIOEU-FQEVSTJZSA-N 2 2 438.594 0.561 20 0 ICADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001477798377 1069948667 /nfs/dbraw/zinc/94/86/67/1069948667.db2.gz FKZDIORJUCIOEU-HXUWFJFHSA-N 2 2 438.594 0.561 20 0 ICADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001477798377 1069948664 /nfs/dbraw/zinc/94/86/64/1069948664.db2.gz FKZDIORJUCIOEU-HXUWFJFHSA-N 2 2 438.594 0.561 20 0 ICADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477813800 1069952063 /nfs/dbraw/zinc/95/20/63/1069952063.db2.gz DDRUOEALAYABRI-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477813800 1069952061 /nfs/dbraw/zinc/95/20/61/1069952061.db2.gz DDRUOEALAYABRI-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477813800 1069952059 /nfs/dbraw/zinc/95/20/59/1069952059.db2.gz DDRUOEALAYABRI-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477813800 1069952057 /nfs/dbraw/zinc/95/20/57/1069952057.db2.gz DDRUOEALAYABRI-MOPGFXCFSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001477813801 1069951836 /nfs/dbraw/zinc/95/18/36/1069951836.db2.gz DDRUOEALAYABRI-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001477813801 1069951830 /nfs/dbraw/zinc/95/18/30/1069951830.db2.gz DDRUOEALAYABRI-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001477813801 1069951825 /nfs/dbraw/zinc/95/18/25/1069951825.db2.gz DDRUOEALAYABRI-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001477813801 1069951819 /nfs/dbraw/zinc/95/18/19/1069951819.db2.gz DDRUOEALAYABRI-OALUTQOASA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001477813802 1069951715 /nfs/dbraw/zinc/95/17/15/1069951715.db2.gz DDRUOEALAYABRI-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001477813802 1069951705 /nfs/dbraw/zinc/95/17/05/1069951705.db2.gz DDRUOEALAYABRI-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001477813802 1069951701 /nfs/dbraw/zinc/95/17/01/1069951701.db2.gz DDRUOEALAYABRI-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001477813802 1069951698 /nfs/dbraw/zinc/95/16/98/1069951698.db2.gz DDRUOEALAYABRI-RBUKOAKNSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001477813803 1069952008 /nfs/dbraw/zinc/95/20/08/1069952008.db2.gz DDRUOEALAYABRI-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001477813803 1069952006 /nfs/dbraw/zinc/95/20/06/1069952006.db2.gz DDRUOEALAYABRI-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001477813803 1069952001 /nfs/dbraw/zinc/95/20/01/1069952001.db2.gz DDRUOEALAYABRI-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001477813803 1069951997 /nfs/dbraw/zinc/95/19/97/1069951997.db2.gz DDRUOEALAYABRI-RTBURBONSA-N 2 2 447.584 0.428 20 0 ICADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956344 /nfs/dbraw/zinc/95/63/44/1069956344.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956339 /nfs/dbraw/zinc/95/63/39/1069956339.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956338 /nfs/dbraw/zinc/95/63/38/1069956338.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956336 /nfs/dbraw/zinc/95/63/36/1069956336.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956150 /nfs/dbraw/zinc/95/61/50/1069956150.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956148 /nfs/dbraw/zinc/95/61/48/1069956148.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956145 /nfs/dbraw/zinc/95/61/45/1069956145.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 3 2 436.645 0.595 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956137 /nfs/dbraw/zinc/95/61/37/1069956137.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 3 2 436.645 0.595 20 0 ICADLP CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477928452 1069961153 /nfs/dbraw/zinc/96/11/53/1069961153.db2.gz WIKPLUCBJBCYCO-IBGZPJMESA-N 2 2 444.580 0.229 20 0 ICADLP CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477928452 1069961147 /nfs/dbraw/zinc/96/11/47/1069961147.db2.gz WIKPLUCBJBCYCO-IBGZPJMESA-N 2 2 444.580 0.229 20 0 ICADLP CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477928453 1069961263 /nfs/dbraw/zinc/96/12/63/1069961263.db2.gz WIKPLUCBJBCYCO-LJQANCHMSA-N 2 2 444.580 0.229 20 0 ICADLP CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477928453 1069961261 /nfs/dbraw/zinc/96/12/61/1069961261.db2.gz WIKPLUCBJBCYCO-LJQANCHMSA-N 2 2 444.580 0.229 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001478368820 1069984487 /nfs/dbraw/zinc/98/44/87/1069984487.db2.gz IMYWGQQCRYWLJR-UHFFFAOYSA-N 2 2 429.631 0.860 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001478368820 1069984484 /nfs/dbraw/zinc/98/44/84/1069984484.db2.gz IMYWGQQCRYWLJR-UHFFFAOYSA-N 2 2 429.631 0.860 20 0 ICADLP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC001478664280 1070004120 /nfs/dbraw/zinc/00/41/20/1070004120.db2.gz GPHBJRFVHUYCJS-JOCHJYFZSA-N 2 2 447.580 0.944 20 0 ICADLP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC001478664281 1070003968 /nfs/dbraw/zinc/00/39/68/1070003968.db2.gz GPHBJRFVHUYCJS-QFIPXVFZSA-N 2 2 447.580 0.944 20 0 ICADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001478788671 1070015859 /nfs/dbraw/zinc/01/58/59/1070015859.db2.gz GHYAAJUVFBPRHI-UHFFFAOYSA-N 2 2 426.558 0.048 20 0 ICADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899054 1070025983 /nfs/dbraw/zinc/02/59/83/1070025983.db2.gz AIGXBGMJGDLHRN-IBGZPJMESA-N 2 2 446.662 0.609 20 0 ICADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899054 1070025964 /nfs/dbraw/zinc/02/59/64/1070025964.db2.gz AIGXBGMJGDLHRN-IBGZPJMESA-N 2 2 446.662 0.609 20 0 ICADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899058 1070026218 /nfs/dbraw/zinc/02/62/18/1070026218.db2.gz AIGXBGMJGDLHRN-LJQANCHMSA-N 2 2 446.662 0.609 20 0 ICADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899058 1070026200 /nfs/dbraw/zinc/02/62/00/1070026200.db2.gz AIGXBGMJGDLHRN-LJQANCHMSA-N 2 2 446.662 0.609 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001479127541 1070053017 /nfs/dbraw/zinc/05/30/17/1070053017.db2.gz FAXFRJMISAYAGD-UHFFFAOYSA-N 2 2 425.599 0.805 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001479127541 1070053000 /nfs/dbraw/zinc/05/30/00/1070053000.db2.gz FAXFRJMISAYAGD-UHFFFAOYSA-N 2 2 425.599 0.805 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001479129615 1070053573 /nfs/dbraw/zinc/05/35/73/1070053573.db2.gz YREKYOICVVEOCW-IBGZPJMESA-N 2 2 437.610 0.947 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001479129615 1070053556 /nfs/dbraw/zinc/05/35/56/1070053556.db2.gz YREKYOICVVEOCW-IBGZPJMESA-N 2 2 437.610 0.947 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001479129616 1070053751 /nfs/dbraw/zinc/05/37/51/1070053751.db2.gz YREKYOICVVEOCW-LJQANCHMSA-N 2 2 437.610 0.947 20 0 ICADLP CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001479129616 1070053734 /nfs/dbraw/zinc/05/37/34/1070053734.db2.gz YREKYOICVVEOCW-LJQANCHMSA-N 2 2 437.610 0.947 20 0 ICADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001479134737 1070056289 /nfs/dbraw/zinc/05/62/89/1070056289.db2.gz GKYGVHLDDOYBDO-UHFFFAOYSA-N 2 2 439.601 0.988 20 0 ICADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357194 1070077959 /nfs/dbraw/zinc/07/79/59/1070077959.db2.gz JUEROLQRXZNOGU-HNNXBMFYSA-N 2 2 425.621 0.101 20 0 ICADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357194 1070077939 /nfs/dbraw/zinc/07/79/39/1070077939.db2.gz JUEROLQRXZNOGU-HNNXBMFYSA-N 2 2 425.621 0.101 20 0 ICADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357195 1070078816 /nfs/dbraw/zinc/07/88/16/1070078816.db2.gz JUEROLQRXZNOGU-OAHLLOKOSA-N 2 2 425.621 0.101 20 0 ICADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357195 1070078798 /nfs/dbraw/zinc/07/87/98/1070078798.db2.gz JUEROLQRXZNOGU-OAHLLOKOSA-N 2 2 425.621 0.101 20 0 ICADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001479391273 1070081959 /nfs/dbraw/zinc/08/19/59/1070081959.db2.gz BVIXHUKQOREYCQ-UHFFFAOYSA-N 2 2 431.581 0.894 20 0 ICADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001479391273 1070081939 /nfs/dbraw/zinc/08/19/39/1070081939.db2.gz BVIXHUKQOREYCQ-UHFFFAOYSA-N 2 2 431.581 0.894 20 0 ICADLP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391284 1070081771 /nfs/dbraw/zinc/08/17/71/1070081771.db2.gz CGEUBHHTRFRGQP-UHFFFAOYSA-N 2 2 447.580 0.907 20 0 ICADLP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391284 1070081756 /nfs/dbraw/zinc/08/17/56/1070081756.db2.gz CGEUBHHTRFRGQP-UHFFFAOYSA-N 2 2 447.580 0.907 20 0 ICADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001479391685 1070081708 /nfs/dbraw/zinc/08/17/08/1070081708.db2.gz GXLADVHXFDSQAL-UHFFFAOYSA-N 2 2 437.585 0.411 20 0 ICADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001479391685 1070081689 /nfs/dbraw/zinc/08/16/89/1070081689.db2.gz GXLADVHXFDSQAL-UHFFFAOYSA-N 2 2 437.585 0.411 20 0 ICADLP COCC(COC)[NH+]1CCN(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001479603305 1070097815 /nfs/dbraw/zinc/09/78/15/1070097815.db2.gz GNYVSIYOLDNBSU-UHFFFAOYSA-N 2 2 433.597 0.970 20 0 ICADLP CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001494087641 1070123434 /nfs/dbraw/zinc/12/34/34/1070123434.db2.gz QOUKYBQEGUVQTE-UHFFFAOYSA-N 2 2 433.601 0.901 20 0 ICADLP CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001498815650 1070253823 /nfs/dbraw/zinc/25/38/23/1070253823.db2.gz NDHLPFIJZSOMBA-DYXWJJEUSA-N 2 2 447.628 0.798 20 0 ICADLP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001498815651 1070253576 /nfs/dbraw/zinc/25/35/76/1070253576.db2.gz NDHLPFIJZSOMBA-IRFCIJBXSA-N 2 2 447.628 0.798 20 0 ICADLP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001498815652 1070253715 /nfs/dbraw/zinc/25/37/15/1070253715.db2.gz NDHLPFIJZSOMBA-SVFBPWRDSA-N 2 2 447.628 0.798 20 0 ICADLP CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001498815653 1070253933 /nfs/dbraw/zinc/25/39/33/1070253933.db2.gz NDHLPFIJZSOMBA-ZJOUEHCJSA-N 2 2 447.628 0.798 20 0 ICADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499099123 1070259755 /nfs/dbraw/zinc/25/97/55/1070259755.db2.gz XAYMEEZNFDNVBS-IBGZPJMESA-N 2 2 433.601 0.696 20 0 ICADLP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499099123 1070259740 /nfs/dbraw/zinc/25/97/40/1070259740.db2.gz XAYMEEZNFDNVBS-IBGZPJMESA-N 2 2 433.601 0.696 20 0 ICADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499099124 1070259807 /nfs/dbraw/zinc/25/98/07/1070259807.db2.gz XAYMEEZNFDNVBS-LJQANCHMSA-N 2 2 433.601 0.696 20 0 ICADLP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499099124 1070259797 /nfs/dbraw/zinc/25/97/97/1070259797.db2.gz XAYMEEZNFDNVBS-LJQANCHMSA-N 2 2 433.601 0.696 20 0 ICADLP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001499124418 1070262566 /nfs/dbraw/zinc/26/25/66/1070262566.db2.gz GXOIFESJHNSZQJ-FQEVSTJZSA-N 2 2 446.644 0.611 20 0 ICADLP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001499124419 1070262322 /nfs/dbraw/zinc/26/23/22/1070262322.db2.gz GXOIFESJHNSZQJ-HXUWFJFHSA-N 2 2 446.644 0.611 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001499135337 1070263739 /nfs/dbraw/zinc/26/37/39/1070263739.db2.gz ZPYOKIPWOGMNJB-PMACEKPBSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001499135337 1070263725 /nfs/dbraw/zinc/26/37/25/1070263725.db2.gz ZPYOKIPWOGMNJB-PMACEKPBSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001499135338 1070263938 /nfs/dbraw/zinc/26/39/38/1070263938.db2.gz ZPYOKIPWOGMNJB-UXHICEINSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001499135338 1070263925 /nfs/dbraw/zinc/26/39/25/1070263925.db2.gz ZPYOKIPWOGMNJB-UXHICEINSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001499135339 1070263666 /nfs/dbraw/zinc/26/36/66/1070263666.db2.gz ZPYOKIPWOGMNJB-VQTJNVASSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001499135339 1070263657 /nfs/dbraw/zinc/26/36/57/1070263657.db2.gz ZPYOKIPWOGMNJB-VQTJNVASSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001499135340 1070263789 /nfs/dbraw/zinc/26/37/89/1070263789.db2.gz ZPYOKIPWOGMNJB-WOJBJXKFSA-N 2 2 447.628 0.820 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001499135340 1070263777 /nfs/dbraw/zinc/26/37/77/1070263777.db2.gz ZPYOKIPWOGMNJB-WOJBJXKFSA-N 2 2 447.628 0.820 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499723415 1070293195 /nfs/dbraw/zinc/29/31/95/1070293195.db2.gz XVMYFOINMHWJJQ-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499723415 1070293189 /nfs/dbraw/zinc/29/31/89/1070293189.db2.gz XVMYFOINMHWJJQ-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499723416 1070293036 /nfs/dbraw/zinc/29/30/36/1070293036.db2.gz XVMYFOINMHWJJQ-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499723416 1070293026 /nfs/dbraw/zinc/29/30/26/1070293026.db2.gz XVMYFOINMHWJJQ-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499723417 1070293387 /nfs/dbraw/zinc/29/33/87/1070293387.db2.gz XVMYFOINMHWJJQ-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499723417 1070293380 /nfs/dbraw/zinc/29/33/80/1070293380.db2.gz XVMYFOINMHWJJQ-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001499723418 1070293236 /nfs/dbraw/zinc/29/32/36/1070293236.db2.gz XVMYFOINMHWJJQ-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499723418 1070293227 /nfs/dbraw/zinc/29/32/27/1070293227.db2.gz XVMYFOINMHWJJQ-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CCC[C@H]1CN(c2nnc(CC)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001500271664 1070310490 /nfs/dbraw/zinc/31/04/90/1070310490.db2.gz NJNALDXJMIFUIS-FQEVSTJZSA-N 2 2 435.617 0.942 20 0 ICADLP CCC[C@H]1CN(c2nnc(CC)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001500271664 1070310471 /nfs/dbraw/zinc/31/04/71/1070310471.db2.gz NJNALDXJMIFUIS-FQEVSTJZSA-N 2 2 435.617 0.942 20 0 ICADLP CCC[C@@H]1CN(c2nnc(CC)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001500271665 1070310235 /nfs/dbraw/zinc/31/02/35/1070310235.db2.gz NJNALDXJMIFUIS-HXUWFJFHSA-N 2 2 435.617 0.942 20 0 ICADLP CCC[C@@H]1CN(c2nnc(CC)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001500271665 1070310216 /nfs/dbraw/zinc/31/02/16/1070310216.db2.gz NJNALDXJMIFUIS-HXUWFJFHSA-N 2 2 435.617 0.942 20 0 ICADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501769975 1070364136 /nfs/dbraw/zinc/36/41/36/1070364136.db2.gz MBKNNYSQUPIJQZ-UHFFFAOYSA-N 2 2 448.616 0.131 20 0 ICADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501769975 1070364117 /nfs/dbraw/zinc/36/41/17/1070364117.db2.gz MBKNNYSQUPIJQZ-UHFFFAOYSA-N 2 2 448.616 0.131 20 0 ICADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001501784241 1070365908 /nfs/dbraw/zinc/36/59/08/1070365908.db2.gz YSIFOQGOJSGFDQ-UHFFFAOYSA-N 2 2 441.584 0.821 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312265 1070415110 /nfs/dbraw/zinc/41/51/10/1070415110.db2.gz JDOBDIJHXOATEW-MOPGFXCFSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312266 1070414996 /nfs/dbraw/zinc/41/49/96/1070414996.db2.gz JDOBDIJHXOATEW-OALUTQOASA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312267 1070415265 /nfs/dbraw/zinc/41/52/65/1070415265.db2.gz JDOBDIJHXOATEW-RBUKOAKNSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502312268 1070415202 /nfs/dbraw/zinc/41/52/02/1070415202.db2.gz JDOBDIJHXOATEW-RTBURBONSA-N 2 2 432.617 0.786 20 0 ICADLP CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328153 1070423230 /nfs/dbraw/zinc/42/32/30/1070423230.db2.gz AAAZPJZALIBGPW-IBGZPJMESA-N 2 2 440.596 0.958 20 0 ICADLP CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328153 1070423227 /nfs/dbraw/zinc/42/32/27/1070423227.db2.gz AAAZPJZALIBGPW-IBGZPJMESA-N 2 2 440.596 0.958 20 0 ICADLP CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502328154 1070423180 /nfs/dbraw/zinc/42/31/80/1070423180.db2.gz AAAZPJZALIBGPW-LJQANCHMSA-N 2 2 440.596 0.958 20 0 ICADLP CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502328154 1070423176 /nfs/dbraw/zinc/42/31/76/1070423176.db2.gz AAAZPJZALIBGPW-LJQANCHMSA-N 2 2 440.596 0.958 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334202 1070424954 /nfs/dbraw/zinc/42/49/54/1070424954.db2.gz BXDZCPFGPNJGKY-MOPGFXCFSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334202 1070424951 /nfs/dbraw/zinc/42/49/51/1070424951.db2.gz BXDZCPFGPNJGKY-MOPGFXCFSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334203 1070424889 /nfs/dbraw/zinc/42/48/89/1070424889.db2.gz BXDZCPFGPNJGKY-OALUTQOASA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334203 1070424886 /nfs/dbraw/zinc/42/48/86/1070424886.db2.gz BXDZCPFGPNJGKY-OALUTQOASA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425957 /nfs/dbraw/zinc/42/59/57/1070425957.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425954 /nfs/dbraw/zinc/42/59/54/1070425954.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426071 /nfs/dbraw/zinc/42/60/71/1070426071.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426065 /nfs/dbraw/zinc/42/60/65/1070426065.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 2 2 448.616 0.024 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426751 /nfs/dbraw/zinc/42/67/51/1070426751.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 2 2 435.617 0.924 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426741 /nfs/dbraw/zinc/42/67/41/1070426741.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 2 2 435.617 0.924 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427759 /nfs/dbraw/zinc/42/77/59/1070427759.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 2 2 435.617 0.924 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427754 /nfs/dbraw/zinc/42/77/54/1070427754.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 2 2 435.617 0.924 20 0 ICADLP CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001503095271 1070531725 /nfs/dbraw/zinc/53/17/25/1070531725.db2.gz BNHYQYKZLNCZNG-UHFFFAOYSA-N 2 2 446.600 0.983 20 0 ICADLP CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001503095271 1070531716 /nfs/dbraw/zinc/53/17/16/1070531716.db2.gz BNHYQYKZLNCZNG-UHFFFAOYSA-N 2 2 446.600 0.983 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503224688 1070559269 /nfs/dbraw/zinc/55/92/69/1070559269.db2.gz VEKLOSWGPXDICU-FQEVSTJZSA-N 2 2 449.600 0.105 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503224691 1070559192 /nfs/dbraw/zinc/55/91/92/1070559192.db2.gz VEKLOSWGPXDICU-HXUWFJFHSA-N 2 2 449.600 0.105 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001503618470 1070687808 /nfs/dbraw/zinc/68/78/08/1070687808.db2.gz LINNMJLZVWHEKW-IBGZPJMESA-N 2 2 449.600 0.129 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001503618470 1070687805 /nfs/dbraw/zinc/68/78/05/1070687805.db2.gz LINNMJLZVWHEKW-IBGZPJMESA-N 2 2 449.600 0.129 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001503618472 1070687518 /nfs/dbraw/zinc/68/75/18/1070687518.db2.gz LINNMJLZVWHEKW-LJQANCHMSA-N 2 2 449.600 0.129 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001503618472 1070687505 /nfs/dbraw/zinc/68/75/05/1070687505.db2.gz LINNMJLZVWHEKW-LJQANCHMSA-N 2 2 449.600 0.129 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001503619057 1070687754 /nfs/dbraw/zinc/68/77/54/1070687754.db2.gz CTJGZHCHHVOMOS-UHFFFAOYSA-N 2 2 429.569 0.955 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001503620071 1070688350 /nfs/dbraw/zinc/68/83/50/1070688350.db2.gz OGAXJUVOKTWWRG-FQEVSTJZSA-N 2 2 434.614 0.884 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001503620072 1070688422 /nfs/dbraw/zinc/68/84/22/1070688422.db2.gz OGAXJUVOKTWWRG-HXUWFJFHSA-N 2 2 434.614 0.884 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503683850 1070719327 /nfs/dbraw/zinc/71/93/27/1070719327.db2.gz COUVKEDJSRNNEW-JOCHJYFZSA-N 2 2 448.543 0.831 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503683850 1070719315 /nfs/dbraw/zinc/71/93/15/1070719315.db2.gz COUVKEDJSRNNEW-JOCHJYFZSA-N 2 2 448.543 0.831 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503683855 1070719158 /nfs/dbraw/zinc/71/91/58/1070719158.db2.gz COUVKEDJSRNNEW-QFIPXVFZSA-N 2 2 448.543 0.831 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(COc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503683855 1070719138 /nfs/dbraw/zinc/71/91/38/1070719138.db2.gz COUVKEDJSRNNEW-QFIPXVFZSA-N 2 2 448.543 0.831 20 0 ICADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001518326905 1070912716 /nfs/dbraw/zinc/91/27/16/1070912716.db2.gz VDYNCIDYJYVCMZ-HKBOAZHASA-N 2 2 432.565 0.272 20 0 ICADLP COc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001518363555 1070914917 /nfs/dbraw/zinc/91/49/17/1070914917.db2.gz YQJVTMAEMZIJAR-JOCHJYFZSA-N 2 2 430.553 0.789 20 0 ICADLP COc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001518363555 1070914913 /nfs/dbraw/zinc/91/49/13/1070914913.db2.gz YQJVTMAEMZIJAR-JOCHJYFZSA-N 2 2 430.553 0.789 20 0 ICADLP COc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001518363557 1070914827 /nfs/dbraw/zinc/91/48/27/1070914827.db2.gz YQJVTMAEMZIJAR-QFIPXVFZSA-N 2 2 430.553 0.789 20 0 ICADLP COc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001518363557 1070914826 /nfs/dbraw/zinc/91/48/26/1070914826.db2.gz YQJVTMAEMZIJAR-QFIPXVFZSA-N 2 2 430.553 0.789 20 0 ICADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001519195593 1071022427 /nfs/dbraw/zinc/02/24/27/1071022427.db2.gz JUWHAJBTHJKIQQ-GOSISDBHSA-N 2 2 437.589 0.153 20 0 ICADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001519195596 1071023041 /nfs/dbraw/zinc/02/30/41/1071023041.db2.gz JUWHAJBTHJKIQQ-SFHVURJKSA-N 2 2 437.589 0.153 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001519196249 1071023803 /nfs/dbraw/zinc/02/38/03/1071023803.db2.gz KPKHSSGZTMUJFV-KRWDZBQOSA-N 2 2 430.557 0.876 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001519196249 1071023795 /nfs/dbraw/zinc/02/37/95/1071023795.db2.gz KPKHSSGZTMUJFV-KRWDZBQOSA-N 2 2 430.557 0.876 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001519196251 1071023668 /nfs/dbraw/zinc/02/36/68/1071023668.db2.gz KPKHSSGZTMUJFV-QGZVFWFLSA-N 2 2 430.557 0.876 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001519196251 1071023662 /nfs/dbraw/zinc/02/36/62/1071023662.db2.gz KPKHSSGZTMUJFV-QGZVFWFLSA-N 2 2 430.557 0.876 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001519206347 1071027872 /nfs/dbraw/zinc/02/78/72/1071027872.db2.gz CADSVOLNMDECHW-MSOLQXFVSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001519206347 1071027860 /nfs/dbraw/zinc/02/78/60/1071027860.db2.gz CADSVOLNMDECHW-MSOLQXFVSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001519206365 1071027726 /nfs/dbraw/zinc/02/77/26/1071027726.db2.gz CADSVOLNMDECHW-QZTJIDSGSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001519206365 1071027723 /nfs/dbraw/zinc/02/77/23/1071027723.db2.gz CADSVOLNMDECHW-QZTJIDSGSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519206366 1071027801 /nfs/dbraw/zinc/02/78/01/1071027801.db2.gz CADSVOLNMDECHW-ROUUACIJSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519206366 1071027798 /nfs/dbraw/zinc/02/77/98/1071027798.db2.gz CADSVOLNMDECHW-ROUUACIJSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519206367 1071027979 /nfs/dbraw/zinc/02/79/79/1071027979.db2.gz CADSVOLNMDECHW-ZWKOTPCHSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519206367 1071027971 /nfs/dbraw/zinc/02/79/71/1071027971.db2.gz CADSVOLNMDECHW-ZWKOTPCHSA-N 2 2 432.573 0.556 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001519209340 1071028432 /nfs/dbraw/zinc/02/84/32/1071028432.db2.gz NZOKWHKGMXMTRA-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001519209340 1071028427 /nfs/dbraw/zinc/02/84/27/1071028427.db2.gz NZOKWHKGMXMTRA-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001519209340 1071028420 /nfs/dbraw/zinc/02/84/20/1071028420.db2.gz NZOKWHKGMXMTRA-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001519209340 1071028415 /nfs/dbraw/zinc/02/84/15/1071028415.db2.gz NZOKWHKGMXMTRA-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001519209343 1071028342 /nfs/dbraw/zinc/02/83/42/1071028342.db2.gz NZOKWHKGMXMTRA-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001519209343 1071028333 /nfs/dbraw/zinc/02/83/33/1071028333.db2.gz NZOKWHKGMXMTRA-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001519209343 1071028323 /nfs/dbraw/zinc/02/83/23/1071028323.db2.gz NZOKWHKGMXMTRA-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001519209343 1071028315 /nfs/dbraw/zinc/02/83/15/1071028315.db2.gz NZOKWHKGMXMTRA-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001519210215 1071029024 /nfs/dbraw/zinc/02/90/24/1071029024.db2.gz SHQRKUNOCGLTNM-UHFFFAOYSA-N 2 2 430.557 0.614 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001519210215 1071029017 /nfs/dbraw/zinc/02/90/17/1071029017.db2.gz SHQRKUNOCGLTNM-UHFFFAOYSA-N 2 2 430.557 0.614 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001519210530 1071028986 /nfs/dbraw/zinc/02/89/86/1071028986.db2.gz UJCDKTFSARNAJM-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001519210530 1071028981 /nfs/dbraw/zinc/02/89/81/1071028981.db2.gz UJCDKTFSARNAJM-GOSISDBHSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519210531 1071029104 /nfs/dbraw/zinc/02/91/04/1071029104.db2.gz UJCDKTFSARNAJM-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001519210531 1071029095 /nfs/dbraw/zinc/02/90/95/1071029095.db2.gz UJCDKTFSARNAJM-SFHVURJKSA-N 2 2 446.600 0.946 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001519215085 1071030830 /nfs/dbraw/zinc/03/08/30/1071030830.db2.gz MBLGLBXZESZSIK-FQEVSTJZSA-N 2 2 449.600 0.105 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001519215090 1071030732 /nfs/dbraw/zinc/03/07/32/1071030732.db2.gz MBLGLBXZESZSIK-HXUWFJFHSA-N 2 2 449.600 0.105 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001519218388 1071032215 /nfs/dbraw/zinc/03/22/15/1071032215.db2.gz VEHRHPJKTZSCQB-IBGZPJMESA-N 2 2 429.569 0.753 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001519218389 1071032139 /nfs/dbraw/zinc/03/21/39/1071032139.db2.gz VEHRHPJKTZSCQB-LJQANCHMSA-N 2 2 429.569 0.753 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222353 1071035934 /nfs/dbraw/zinc/03/59/34/1071035934.db2.gz VTCHNQNZYSIPTG-MSOLQXFVSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222353 1071035928 /nfs/dbraw/zinc/03/59/28/1071035928.db2.gz VTCHNQNZYSIPTG-MSOLQXFVSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222353 1071035919 /nfs/dbraw/zinc/03/59/19/1071035919.db2.gz VTCHNQNZYSIPTG-MSOLQXFVSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222353 1071035911 /nfs/dbraw/zinc/03/59/11/1071035911.db2.gz VTCHNQNZYSIPTG-MSOLQXFVSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222354 1071035984 /nfs/dbraw/zinc/03/59/84/1071035984.db2.gz VTCHNQNZYSIPTG-QZTJIDSGSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222354 1071035977 /nfs/dbraw/zinc/03/59/77/1071035977.db2.gz VTCHNQNZYSIPTG-QZTJIDSGSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222354 1071035968 /nfs/dbraw/zinc/03/59/68/1071035968.db2.gz VTCHNQNZYSIPTG-QZTJIDSGSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001519222354 1071035963 /nfs/dbraw/zinc/03/59/63/1071035963.db2.gz VTCHNQNZYSIPTG-QZTJIDSGSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222355 1071035802 /nfs/dbraw/zinc/03/58/02/1071035802.db2.gz VTCHNQNZYSIPTG-ROUUACIJSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222355 1071035793 /nfs/dbraw/zinc/03/57/93/1071035793.db2.gz VTCHNQNZYSIPTG-ROUUACIJSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222355 1071035786 /nfs/dbraw/zinc/03/57/86/1071035786.db2.gz VTCHNQNZYSIPTG-ROUUACIJSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222355 1071035778 /nfs/dbraw/zinc/03/57/78/1071035778.db2.gz VTCHNQNZYSIPTG-ROUUACIJSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222356 1071035626 /nfs/dbraw/zinc/03/56/26/1071035626.db2.gz VTCHNQNZYSIPTG-ZWKOTPCHSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222356 1071035613 /nfs/dbraw/zinc/03/56/13/1071035613.db2.gz VTCHNQNZYSIPTG-ZWKOTPCHSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222356 1071035603 /nfs/dbraw/zinc/03/56/03/1071035603.db2.gz VTCHNQNZYSIPTG-ZWKOTPCHSA-N 2 2 449.600 0.497 20 0 ICADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001519222356 1071035599 /nfs/dbraw/zinc/03/55/99/1071035599.db2.gz VTCHNQNZYSIPTG-ZWKOTPCHSA-N 2 2 449.600 0.497 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000565 1071721371 /nfs/dbraw/zinc/72/13/71/1071721371.db2.gz COYOGLZNWGSTHJ-GHTZIAJQSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000565 1071721364 /nfs/dbraw/zinc/72/13/64/1071721364.db2.gz COYOGLZNWGSTHJ-GHTZIAJQSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000566 1071721467 /nfs/dbraw/zinc/72/14/67/1071721467.db2.gz COYOGLZNWGSTHJ-NQIIRXRSSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000566 1071721461 /nfs/dbraw/zinc/72/14/61/1071721461.db2.gz COYOGLZNWGSTHJ-NQIIRXRSSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000567 1071721559 /nfs/dbraw/zinc/72/15/59/1071721559.db2.gz COYOGLZNWGSTHJ-RXVVDRJESA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000567 1071721554 /nfs/dbraw/zinc/72/15/54/1071721554.db2.gz COYOGLZNWGSTHJ-RXVVDRJESA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000568 1071721329 /nfs/dbraw/zinc/72/13/29/1071721329.db2.gz COYOGLZNWGSTHJ-WIYYLYMNSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000568 1071721322 /nfs/dbraw/zinc/72/13/22/1071721322.db2.gz COYOGLZNWGSTHJ-WIYYLYMNSA-N 2 2 446.644 0.601 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001541005082 1071723175 /nfs/dbraw/zinc/72/31/75/1071723175.db2.gz JCWDMRVBBJJEGC-UHFFFAOYSA-N 2 2 433.601 0.867 20 0 ICADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@H+]2C1 ZINC001541114013 1071754497 /nfs/dbraw/zinc/75/44/97/1071754497.db2.gz GQMSZTMTVAPUIW-CEXWTWQISA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@@H+]2C1 ZINC001541114013 1071754494 /nfs/dbraw/zinc/75/44/94/1071754494.db2.gz GQMSZTMTVAPUIW-CEXWTWQISA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@H+]2C1 ZINC001541114016 1071754339 /nfs/dbraw/zinc/75/43/39/1071754339.db2.gz GQMSZTMTVAPUIW-GUDVDZBRSA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@@H+]2C1 ZINC001541114016 1071754335 /nfs/dbraw/zinc/75/43/35/1071754335.db2.gz GQMSZTMTVAPUIW-GUDVDZBRSA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@H+]2C1 ZINC001541114018 1071754378 /nfs/dbraw/zinc/75/43/78/1071754378.db2.gz GQMSZTMTVAPUIW-QRVBRYPASA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@@H+]2C1 ZINC001541114018 1071754373 /nfs/dbraw/zinc/75/43/73/1071754373.db2.gz GQMSZTMTVAPUIW-QRVBRYPASA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@H+]2C1 ZINC001541114020 1071754395 /nfs/dbraw/zinc/75/43/95/1071754395.db2.gz GQMSZTMTVAPUIW-QYZOEREBSA-N 2 2 435.594 0.770 20 0 ICADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[N@@H+]2C1 ZINC001541114020 1071754390 /nfs/dbraw/zinc/75/43/90/1071754390.db2.gz GQMSZTMTVAPUIW-QYZOEREBSA-N 2 2 435.594 0.770 20 0 ICADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541114538 1071754306 /nfs/dbraw/zinc/75/43/06/1071754306.db2.gz LTJRYEFSFAPYMK-UHFFFAOYSA-N 2 2 439.582 0.008 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541360693 1071789551 /nfs/dbraw/zinc/78/95/51/1071789551.db2.gz HRIFZMIXLSBATJ-IBGZPJMESA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541360693 1071789535 /nfs/dbraw/zinc/78/95/35/1071789535.db2.gz HRIFZMIXLSBATJ-IBGZPJMESA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541360694 1071789460 /nfs/dbraw/zinc/78/94/60/1071789460.db2.gz HRIFZMIXLSBATJ-LJQANCHMSA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541360694 1071789456 /nfs/dbraw/zinc/78/94/56/1071789456.db2.gz HRIFZMIXLSBATJ-LJQANCHMSA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001541361167 1071789351 /nfs/dbraw/zinc/78/93/51/1071789351.db2.gz YYOALXFQABGSIT-IBGZPJMESA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001541361168 1071789480 /nfs/dbraw/zinc/78/94/80/1071789480.db2.gz YYOALXFQABGSIT-LJQANCHMSA-N 2 2 433.601 0.867 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541469871 1071797301 /nfs/dbraw/zinc/79/73/01/1071797301.db2.gz WVQCOKBPECGXFU-AUSIDOKSSA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541469871 1071797289 /nfs/dbraw/zinc/79/72/89/1071797289.db2.gz WVQCOKBPECGXFU-AUSIDOKSSA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541469872 1071797207 /nfs/dbraw/zinc/79/72/07/1071797207.db2.gz WVQCOKBPECGXFU-CVDCTZTESA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541469872 1071797193 /nfs/dbraw/zinc/79/71/93/1071797193.db2.gz WVQCOKBPECGXFU-CVDCTZTESA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541469873 1071797808 /nfs/dbraw/zinc/79/78/08/1071797808.db2.gz WVQCOKBPECGXFU-WMZHIEFXSA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541469873 1071797796 /nfs/dbraw/zinc/79/77/96/1071797796.db2.gz WVQCOKBPECGXFU-WMZHIEFXSA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541469874 1071797702 /nfs/dbraw/zinc/79/77/02/1071797702.db2.gz WVQCOKBPECGXFU-XXBNENTESA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541469874 1071797693 /nfs/dbraw/zinc/79/76/93/1071797693.db2.gz WVQCOKBPECGXFU-XXBNENTESA-N 2 2 447.628 0.676 20 0 ICADLP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541566217 1071808476 /nfs/dbraw/zinc/80/84/76/1071808476.db2.gz QCZZAOZOIKQSJT-IBGZPJMESA-N 2 2 433.601 0.899 20 0 ICADLP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541566218 1071808731 /nfs/dbraw/zinc/80/87/31/1071808731.db2.gz QCZZAOZOIKQSJT-LJQANCHMSA-N 2 2 433.601 0.899 20 0 ICADLP CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001541620281 1071817161 /nfs/dbraw/zinc/81/71/61/1071817161.db2.gz XAKDZQZOJNHWSJ-UHFFFAOYSA-N 2 2 444.584 0.739 20 0 ICADLP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCOCC1 ZINC001541656336 1071833806 /nfs/dbraw/zinc/83/38/06/1071833806.db2.gz CFMZVAKVRBNKMC-IBGZPJMESA-N 2 2 449.600 0.297 20 0 ICADLP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCOCC1 ZINC001541656337 1071833592 /nfs/dbraw/zinc/83/35/92/1071833592.db2.gz CFMZVAKVRBNKMC-LJQANCHMSA-N 2 2 449.600 0.297 20 0 ICADLP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001541855677 1071899490 /nfs/dbraw/zinc/89/94/90/1071899490.db2.gz LIQOQCFOTTVIQU-FGTMMUONSA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001541855678 1071900389 /nfs/dbraw/zinc/90/03/89/1071900389.db2.gz LIQOQCFOTTVIQU-KURKYZTESA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001541855679 1071900306 /nfs/dbraw/zinc/90/03/06/1071900306.db2.gz LIQOQCFOTTVIQU-KZNAEPCWSA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001541855680 1071900238 /nfs/dbraw/zinc/90/02/38/1071900238.db2.gz LIQOQCFOTTVIQU-SQNIBIBYSA-N 2 2 440.614 0.289 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001542526110 1071984505 /nfs/dbraw/zinc/98/45/05/1071984505.db2.gz NKCFOSSQPJRKAQ-UHFFFAOYSA-N 2 2 440.566 0.640 20 0 ICADLP CN(C(=O)c1cc2c([nH]c1=O)CCOC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542905788 1072011559 /nfs/dbraw/zinc/01/15/59/1072011559.db2.gz FAMPITGDMYBCBS-UHFFFAOYSA-N 2 2 431.537 0.170 20 0 ICADLP COC(=O)C1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC2(CCC2)C1 ZINC001542905799 1072011222 /nfs/dbraw/zinc/01/12/22/1072011222.db2.gz FKINQLJWHGBUPB-UHFFFAOYSA-N 2 2 434.581 0.807 20 0 ICADLP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001542905835 1072011585 /nfs/dbraw/zinc/01/15/85/1072011585.db2.gz GPVNSRVOMRIWLP-UHFFFAOYSA-N 2 2 449.640 0.574 20 0 ICADLP CN(C(=O)[C@@H]1CCO[C@H]1c1ccncc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542905849 1072011342 /nfs/dbraw/zinc/01/13/42/1072011342.db2.gz HFPFKWPQFCRHJF-IRLDBZIGSA-N 2 2 429.565 0.856 20 0 ICADLP CN(C(=O)Cc1ccc(-n2cnnc2)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542905867 1072011446 /nfs/dbraw/zinc/01/14/46/1072011446.db2.gz HUEBZTHFXYLQDU-UHFFFAOYSA-N 2 2 439.564 0.507 20 0 ICADLP Cc1cn2cc(CC(=O)N(C)C3CC[NH+](CC(=O)N4CC[NH+](C)CC4)CC3)nc2s1 ZINC001542905961 1072011268 /nfs/dbraw/zinc/01/12/68/1072011268.db2.gz LSJKFWMFNZISBY-UHFFFAOYSA-N 2 2 432.594 0.944 20 0 ICADLP CN(C(=O)Cc1cccc2nsnc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906140 1072011396 /nfs/dbraw/zinc/01/13/96/1072011396.db2.gz SFZRYQPFHLYZAC-UHFFFAOYSA-N 2 2 430.578 0.931 20 0 ICADLP Cc1nc2cc(C(=O)N(C)C3CC[NH+](CC(=O)N4CC[NH+](C)CC4)CC3)ccc2c(=O)[nH]1 ZINC001542906176 1072011125 /nfs/dbraw/zinc/01/11/25/1072011125.db2.gz UDHJPUVUSHUXDG-UHFFFAOYSA-N 2 2 440.548 0.954 20 0 ICADLP CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906273 1072011818 /nfs/dbraw/zinc/01/18/18/1072011818.db2.gz XEQUDBIUKQNNLT-SJORKVTESA-N 2 2 436.475 0.030 20 0 ICADLP CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906304 1072011959 /nfs/dbraw/zinc/01/19/59/1072011959.db2.gz YPLBVDSAGHSRQF-LPHOPBHVSA-N 2 2 425.574 0.454 20 0 ICADLP CN(C(=O)CCc1nnc(C(F)F)o1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906325 1072012004 /nfs/dbraw/zinc/01/20/04/1072012004.db2.gz ZKLBFOTWPIQJCP-UHFFFAOYSA-N 2 2 428.484 0.637 20 0 ICADLP C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001542934169 1072014238 /nfs/dbraw/zinc/01/42/38/1072014238.db2.gz OMPMWZJVVYOURM-INIZCTEOSA-N 2 2 426.583 0.444 20 0 ICADLP C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001542934169 1072014228 /nfs/dbraw/zinc/01/42/28/1072014228.db2.gz OMPMWZJVVYOURM-INIZCTEOSA-N 2 2 426.583 0.444 20 0 ICADLP C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001542934170 1072015260 /nfs/dbraw/zinc/01/52/60/1072015260.db2.gz OMPMWZJVVYOURM-MRXNPFEDSA-N 2 2 426.583 0.444 20 0 ICADLP C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001542934170 1072015251 /nfs/dbraw/zinc/01/52/51/1072015251.db2.gz OMPMWZJVVYOURM-MRXNPFEDSA-N 2 2 426.583 0.444 20 0 ICADLP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001542979756 1072023846 /nfs/dbraw/zinc/02/38/46/1072023846.db2.gz FBDXLXOOHHATPR-AEFFLSMTSA-N 2 2 430.557 0.778 20 0 ICADLP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001542979757 1072024155 /nfs/dbraw/zinc/02/41/55/1072024155.db2.gz FBDXLXOOHHATPR-FUHWJXTLSA-N 2 2 430.557 0.778 20 0 ICADLP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001542979758 1072024054 /nfs/dbraw/zinc/02/40/54/1072024054.db2.gz FBDXLXOOHHATPR-SJLPKXTDSA-N 2 2 430.557 0.778 20 0 ICADLP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001542979759 1072024183 /nfs/dbraw/zinc/02/41/83/1072024183.db2.gz FBDXLXOOHHATPR-WMZOPIPTSA-N 2 2 430.557 0.778 20 0 ICADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079177 1072037444 /nfs/dbraw/zinc/03/74/44/1072037444.db2.gz JZKFFOGCYHLGTA-IBGZPJMESA-N 2 2 432.569 0.770 20 0 ICADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079177 1072037438 /nfs/dbraw/zinc/03/74/38/1072037438.db2.gz JZKFFOGCYHLGTA-IBGZPJMESA-N 2 2 432.569 0.770 20 0 ICADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079181 1072037595 /nfs/dbraw/zinc/03/75/95/1072037595.db2.gz JZKFFOGCYHLGTA-LJQANCHMSA-N 2 2 432.569 0.770 20 0 ICADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079181 1072037580 /nfs/dbraw/zinc/03/75/80/1072037580.db2.gz JZKFFOGCYHLGTA-LJQANCHMSA-N 2 2 432.569 0.770 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234682 1072052401 /nfs/dbraw/zinc/05/24/01/1072052401.db2.gz CRIADFTYXPLUOO-CRAIPNDOSA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234682 1072052393 /nfs/dbraw/zinc/05/23/93/1072052393.db2.gz CRIADFTYXPLUOO-CRAIPNDOSA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234683 1072052050 /nfs/dbraw/zinc/05/20/50/1072052050.db2.gz CRIADFTYXPLUOO-MAUKXSAKSA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234683 1072052044 /nfs/dbraw/zinc/05/20/44/1072052044.db2.gz CRIADFTYXPLUOO-MAUKXSAKSA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234684 1072052159 /nfs/dbraw/zinc/05/21/59/1072052159.db2.gz CRIADFTYXPLUOO-QAPCUYQASA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234684 1072052144 /nfs/dbraw/zinc/05/21/44/1072052144.db2.gz CRIADFTYXPLUOO-QAPCUYQASA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234685 1072052347 /nfs/dbraw/zinc/05/23/47/1072052347.db2.gz CRIADFTYXPLUOO-YJBOKZPZSA-N 2 2 444.985 0.264 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234685 1072052333 /nfs/dbraw/zinc/05/23/33/1072052333.db2.gz CRIADFTYXPLUOO-YJBOKZPZSA-N 2 2 444.985 0.264 20 0 ICADLP CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001543278425 1072056445 /nfs/dbraw/zinc/05/64/45/1072056445.db2.gz JONLNLANXCULGJ-FQEVSTJZSA-N 2 2 430.549 0.997 20 0 ICADLP CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001543278425 1072056421 /nfs/dbraw/zinc/05/64/21/1072056421.db2.gz JONLNLANXCULGJ-FQEVSTJZSA-N 2 2 430.549 0.997 20 0 ICADLP CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001543278426 1072056518 /nfs/dbraw/zinc/05/65/18/1072056518.db2.gz JONLNLANXCULGJ-HXUWFJFHSA-N 2 2 430.549 0.997 20 0 ICADLP CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001543278426 1072056512 /nfs/dbraw/zinc/05/65/12/1072056512.db2.gz JONLNLANXCULGJ-HXUWFJFHSA-N 2 2 430.549 0.997 20 0 ICADLP Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001543463485 1072074549 /nfs/dbraw/zinc/07/45/49/1072074549.db2.gz QDSFHNIBSAPFIJ-GOSISDBHSA-N 2 2 446.556 0.426 20 0 ICADLP Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001543463494 1072074420 /nfs/dbraw/zinc/07/44/20/1072074420.db2.gz QDSFHNIBSAPFIJ-SFHVURJKSA-N 2 2 446.556 0.426 20 0 ICADLP CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1c1ccnn1C ZINC001544620593 1072128602 /nfs/dbraw/zinc/12/86/02/1072128602.db2.gz JNJCOWOXASAUPZ-RTWAWAEBSA-N 2 2 432.569 0.383 20 0 ICADLP C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001544621227 1072128524 /nfs/dbraw/zinc/12/85/24/1072128524.db2.gz PIXSPDTZFHWGIV-KBXCAEBGSA-N 2 2 444.623 0.451 20 0 ICADLP C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001544621239 1072128551 /nfs/dbraw/zinc/12/85/51/1072128551.db2.gz PIXSPDTZFHWGIV-KDOFPFPSSA-N 2 2 444.623 0.451 20 0 ICADLP C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001544621241 1072128665 /nfs/dbraw/zinc/12/86/65/1072128665.db2.gz PIXSPDTZFHWGIV-KSSFIOAISA-N 2 2 444.623 0.451 20 0 ICADLP C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001544621244 1072128559 /nfs/dbraw/zinc/12/85/59/1072128559.db2.gz PIXSPDTZFHWGIV-RDTXWAMCSA-N 2 2 444.623 0.451 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545240101 1072187233 /nfs/dbraw/zinc/18/72/33/1072187233.db2.gz IFFSNYWJULZLSB-CVEARBPZSA-N 2 2 434.603 0.409 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545240102 1072187208 /nfs/dbraw/zinc/18/72/08/1072187208.db2.gz IFFSNYWJULZLSB-HOTGVXAUSA-N 2 2 434.603 0.409 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545240103 1072187152 /nfs/dbraw/zinc/18/71/52/1072187152.db2.gz IFFSNYWJULZLSB-HZPDHXFCSA-N 2 2 434.603 0.409 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545240104 1072187126 /nfs/dbraw/zinc/18/71/26/1072187126.db2.gz IFFSNYWJULZLSB-JKSUJKDBSA-N 2 2 434.603 0.409 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)cc21 ZINC001545513124 1072200040 /nfs/dbraw/zinc/20/00/40/1072200040.db2.gz YMDNTMXANLBSIW-GOSISDBHSA-N 2 2 431.537 0.867 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)cc21 ZINC001545513125 1072200333 /nfs/dbraw/zinc/20/03/33/1072200333.db2.gz YMDNTMXANLBSIW-SFHVURJKSA-N 2 2 431.537 0.867 20 0 ICADLP CCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546479496 1071443465 /nfs/dbraw/zinc/44/34/65/1071443465.db2.gz PISCCSCYIOEXPQ-FQEVSTJZSA-N 2 2 432.617 0.221 20 0 ICADLP CCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546479497 1071443528 /nfs/dbraw/zinc/44/35/28/1071443528.db2.gz PISCCSCYIOEXPQ-HXUWFJFHSA-N 2 2 432.617 0.221 20 0 ICADLP CCc1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001546557622 1072219706 /nfs/dbraw/zinc/21/97/06/1072219706.db2.gz WNCDXQBEIPROOF-UHFFFAOYSA-N 2 2 433.582 0.683 20 0 ICADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547416375 1072292998 /nfs/dbraw/zinc/29/29/98/1072292998.db2.gz PWEKRMCBNKGDQT-JOCHJYFZSA-N 2 2 444.584 0.330 20 0 ICADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547416375 1072292990 /nfs/dbraw/zinc/29/29/90/1072292990.db2.gz PWEKRMCBNKGDQT-JOCHJYFZSA-N 2 2 444.584 0.330 20 0 ICADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547416376 1072293094 /nfs/dbraw/zinc/29/30/94/1072293094.db2.gz PWEKRMCBNKGDQT-QFIPXVFZSA-N 2 2 444.584 0.330 20 0 ICADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547416376 1072293085 /nfs/dbraw/zinc/29/30/85/1072293085.db2.gz PWEKRMCBNKGDQT-QFIPXVFZSA-N 2 2 444.584 0.330 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644186 1072320122 /nfs/dbraw/zinc/32/01/22/1072320122.db2.gz DQRWZIQIYCJBRM-AOIWGVFYSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644186 1072320116 /nfs/dbraw/zinc/32/01/16/1072320116.db2.gz DQRWZIQIYCJBRM-AOIWGVFYSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644187 1072319887 /nfs/dbraw/zinc/31/98/87/1072319887.db2.gz DQRWZIQIYCJBRM-JENIJYKNSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644187 1072319884 /nfs/dbraw/zinc/31/98/84/1072319884.db2.gz DQRWZIQIYCJBRM-JENIJYKNSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644188 1072320254 /nfs/dbraw/zinc/32/02/54/1072320254.db2.gz DQRWZIQIYCJBRM-LNLFQRSKSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644188 1072320250 /nfs/dbraw/zinc/32/02/50/1072320250.db2.gz DQRWZIQIYCJBRM-LNLFQRSKSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644189 1072319979 /nfs/dbraw/zinc/31/99/79/1072319979.db2.gz DQRWZIQIYCJBRM-ZIFCJYIRSA-N 2 2 446.600 0.312 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644189 1072319973 /nfs/dbraw/zinc/31/99/73/1072319973.db2.gz DQRWZIQIYCJBRM-ZIFCJYIRSA-N 2 2 446.600 0.312 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547647246 1072321165 /nfs/dbraw/zinc/32/11/65/1072321165.db2.gz QQRRGSHTSUYKLF-AXVVYFOYSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547647246 1072321161 /nfs/dbraw/zinc/32/11/61/1072321161.db2.gz QQRRGSHTSUYKLF-AXVVYFOYSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547647246 1072321152 /nfs/dbraw/zinc/32/11/52/1072321152.db2.gz QQRRGSHTSUYKLF-AXVVYFOYSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547647246 1072321146 /nfs/dbraw/zinc/32/11/46/1072321146.db2.gz QQRRGSHTSUYKLF-AXVVYFOYSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547647252 1072321091 /nfs/dbraw/zinc/32/10/91/1072321091.db2.gz QQRRGSHTSUYKLF-LJCCNALRSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547647252 1072321085 /nfs/dbraw/zinc/32/10/85/1072321085.db2.gz QQRRGSHTSUYKLF-LJCCNALRSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547647252 1072321079 /nfs/dbraw/zinc/32/10/79/1072321079.db2.gz QQRRGSHTSUYKLF-LJCCNALRSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547647252 1072321073 /nfs/dbraw/zinc/32/10/73/1072321073.db2.gz QQRRGSHTSUYKLF-LJCCNALRSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547647253 1072320727 /nfs/dbraw/zinc/32/07/27/1072320727.db2.gz QQRRGSHTSUYKLF-MIALQEHNSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547647253 1072320715 /nfs/dbraw/zinc/32/07/15/1072320715.db2.gz QQRRGSHTSUYKLF-MIALQEHNSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547647253 1072320705 /nfs/dbraw/zinc/32/07/05/1072320705.db2.gz QQRRGSHTSUYKLF-MIALQEHNSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547647253 1072320703 /nfs/dbraw/zinc/32/07/03/1072320703.db2.gz QQRRGSHTSUYKLF-MIALQEHNSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547647256 1072320941 /nfs/dbraw/zinc/32/09/41/1072320941.db2.gz QQRRGSHTSUYKLF-YZLZLFLDSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547647256 1072320934 /nfs/dbraw/zinc/32/09/34/1072320934.db2.gz QQRRGSHTSUYKLF-YZLZLFLDSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547647256 1072320925 /nfs/dbraw/zinc/32/09/25/1072320925.db2.gz QQRRGSHTSUYKLF-YZLZLFLDSA-N 2 2 440.614 0.166 20 0 ICADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547647256 1072320916 /nfs/dbraw/zinc/32/09/16/1072320916.db2.gz QQRRGSHTSUYKLF-YZLZLFLDSA-N 2 2 440.614 0.166 20 0 ICADLP CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001547702355 1072330224 /nfs/dbraw/zinc/33/02/24/1072330224.db2.gz ZOMIKPBRACRQAQ-FQEVSTJZSA-N 2 2 446.644 0.747 20 0 ICADLP CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001547702355 1072330212 /nfs/dbraw/zinc/33/02/12/1072330212.db2.gz ZOMIKPBRACRQAQ-FQEVSTJZSA-N 2 2 446.644 0.747 20 0 ICADLP CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001547702358 1072330267 /nfs/dbraw/zinc/33/02/67/1072330267.db2.gz ZOMIKPBRACRQAQ-HXUWFJFHSA-N 2 2 446.644 0.747 20 0 ICADLP CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001547702358 1072330257 /nfs/dbraw/zinc/33/02/57/1072330257.db2.gz ZOMIKPBRACRQAQ-HXUWFJFHSA-N 2 2 446.644 0.747 20 0 ICADLP CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001547734161 1072341660 /nfs/dbraw/zinc/34/16/60/1072341660.db2.gz ORPWEYVQNZXDKB-UHFFFAOYSA-N 2 2 434.633 0.974 20 0 ICADLP CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001547735846 1072343014 /nfs/dbraw/zinc/34/30/14/1072343014.db2.gz JVRVTKXKXBLLQG-FQEVSTJZSA-N 2 2 435.617 0.578 20 0 ICADLP CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001547735846 1072343003 /nfs/dbraw/zinc/34/30/03/1072343003.db2.gz JVRVTKXKXBLLQG-FQEVSTJZSA-N 2 2 435.617 0.578 20 0 ICADLP CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001547735847 1072342734 /nfs/dbraw/zinc/34/27/34/1072342734.db2.gz JVRVTKXKXBLLQG-HXUWFJFHSA-N 2 2 435.617 0.578 20 0 ICADLP CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001547735847 1072342724 /nfs/dbraw/zinc/34/27/24/1072342724.db2.gz JVRVTKXKXBLLQG-HXUWFJFHSA-N 2 2 435.617 0.578 20 0 ICADLP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548100005 1072404827 /nfs/dbraw/zinc/40/48/27/1072404827.db2.gz UPVBEJNDHHVDPZ-AABGKKOBSA-N 2 2 436.601 0.940 20 0 ICADLP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548100006 1072404793 /nfs/dbraw/zinc/40/47/93/1072404793.db2.gz UPVBEJNDHHVDPZ-HSALFYBXSA-N 2 2 436.601 0.940 20 0 ICADLP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548100007 1072404670 /nfs/dbraw/zinc/40/46/70/1072404670.db2.gz UPVBEJNDHHVDPZ-SLFFLAALSA-N 2 2 436.601 0.940 20 0 ICADLP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548100009 1072404753 /nfs/dbraw/zinc/40/47/53/1072404753.db2.gz UPVBEJNDHHVDPZ-UFYCRDLUSA-N 2 2 436.601 0.940 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548125252 1072408150 /nfs/dbraw/zinc/40/81/50/1072408150.db2.gz OOHFJAYGFNWRDH-FQEVSTJZSA-N 2 2 449.600 0.137 20 0 ICADLP CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548125253 1072408184 /nfs/dbraw/zinc/40/81/84/1072408184.db2.gz OOHFJAYGFNWRDH-HXUWFJFHSA-N 2 2 449.600 0.137 20 0 ICADLP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548130971 1072409892 /nfs/dbraw/zinc/40/98/92/1072409892.db2.gz MSLJLHLGQYBKDL-PMACEKPBSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548130971 1072409890 /nfs/dbraw/zinc/40/98/90/1072409890.db2.gz MSLJLHLGQYBKDL-PMACEKPBSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548130972 1072409830 /nfs/dbraw/zinc/40/98/30/1072409830.db2.gz MSLJLHLGQYBKDL-UXHICEINSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548130972 1072409829 /nfs/dbraw/zinc/40/98/29/1072409829.db2.gz MSLJLHLGQYBKDL-UXHICEINSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548131074 1072409946 /nfs/dbraw/zinc/40/99/46/1072409946.db2.gz MSLJLHLGQYBKDL-VQTJNVASSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548131074 1072409944 /nfs/dbraw/zinc/40/99/44/1072409944.db2.gz MSLJLHLGQYBKDL-VQTJNVASSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548131077 1072409922 /nfs/dbraw/zinc/40/99/22/1072409922.db2.gz MSLJLHLGQYBKDL-WOJBJXKFSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548131077 1072409921 /nfs/dbraw/zinc/40/99/21/1072409921.db2.gz MSLJLHLGQYBKDL-WOJBJXKFSA-N 2 2 435.617 0.752 20 0 ICADLP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001548131266 1072409813 /nfs/dbraw/zinc/40/98/13/1072409813.db2.gz QBQZIXHKFVJWHK-FQEVSTJZSA-N 2 2 435.617 0.753 20 0 ICADLP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001548131267 1072409909 /nfs/dbraw/zinc/40/99/09/1072409909.db2.gz QBQZIXHKFVJWHK-HXUWFJFHSA-N 2 2 435.617 0.753 20 0 ICADLP CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001548163915 1072415044 /nfs/dbraw/zinc/41/50/44/1072415044.db2.gz QJMLGRFWBIMLAK-IBGZPJMESA-N 2 2 446.600 0.981 20 0 ICADLP CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001548163915 1072415043 /nfs/dbraw/zinc/41/50/43/1072415043.db2.gz QJMLGRFWBIMLAK-IBGZPJMESA-N 2 2 446.600 0.981 20 0 ICADLP CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001548163917 1072415029 /nfs/dbraw/zinc/41/50/29/1072415029.db2.gz QJMLGRFWBIMLAK-LJQANCHMSA-N 2 2 446.600 0.981 20 0 ICADLP CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001548163917 1072415028 /nfs/dbraw/zinc/41/50/28/1072415028.db2.gz QJMLGRFWBIMLAK-LJQANCHMSA-N 2 2 446.600 0.981 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001548165944 1072416650 /nfs/dbraw/zinc/41/66/50/1072416650.db2.gz QHWICOCIFJAFFO-MOPGFXCFSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001548165944 1072416645 /nfs/dbraw/zinc/41/66/45/1072416645.db2.gz QHWICOCIFJAFFO-MOPGFXCFSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548165944 1072416643 /nfs/dbraw/zinc/41/66/43/1072416643.db2.gz QHWICOCIFJAFFO-MOPGFXCFSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548165944 1072416639 /nfs/dbraw/zinc/41/66/39/1072416639.db2.gz QHWICOCIFJAFFO-MOPGFXCFSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001548165945 1072416514 /nfs/dbraw/zinc/41/65/14/1072416514.db2.gz QHWICOCIFJAFFO-OALUTQOASA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001548165945 1072416511 /nfs/dbraw/zinc/41/65/11/1072416511.db2.gz QHWICOCIFJAFFO-OALUTQOASA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548165945 1072416506 /nfs/dbraw/zinc/41/65/06/1072416506.db2.gz QHWICOCIFJAFFO-OALUTQOASA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548165945 1072416500 /nfs/dbraw/zinc/41/65/00/1072416500.db2.gz QHWICOCIFJAFFO-OALUTQOASA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001548165946 1072416431 /nfs/dbraw/zinc/41/64/31/1072416431.db2.gz QHWICOCIFJAFFO-RBUKOAKNSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001548165946 1072416424 /nfs/dbraw/zinc/41/64/24/1072416424.db2.gz QHWICOCIFJAFFO-RBUKOAKNSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548165946 1072416421 /nfs/dbraw/zinc/41/64/21/1072416421.db2.gz QHWICOCIFJAFFO-RBUKOAKNSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548165946 1072416414 /nfs/dbraw/zinc/41/64/14/1072416414.db2.gz QHWICOCIFJAFFO-RBUKOAKNSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001548165947 1072416597 /nfs/dbraw/zinc/41/65/97/1072416597.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001548165947 1072416594 /nfs/dbraw/zinc/41/65/94/1072416594.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548165947 1072416592 /nfs/dbraw/zinc/41/65/92/1072416592.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548165947 1072416590 /nfs/dbraw/zinc/41/65/90/1072416590.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 2 2 449.600 0.278 20 0 ICADLP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001548181348 1072422400 /nfs/dbraw/zinc/42/24/00/1072422400.db2.gz MILDWDXOILDFKC-LEWJYISDSA-N 2 2 449.644 0.999 20 0 ICADLP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001548181349 1072422465 /nfs/dbraw/zinc/42/24/65/1072422465.db2.gz MILDWDXOILDFKC-NHCUHLMSSA-N 2 2 449.644 0.999 20 0 ICADLP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001548181350 1072422482 /nfs/dbraw/zinc/42/24/82/1072422482.db2.gz MILDWDXOILDFKC-RTWAWAEBSA-N 2 2 449.644 0.999 20 0 ICADLP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001548181351 1072422387 /nfs/dbraw/zinc/42/23/87/1072422387.db2.gz MILDWDXOILDFKC-SFTDATJTSA-N 2 2 449.644 0.999 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283559 1072436716 /nfs/dbraw/zinc/43/67/16/1072436716.db2.gz FDAJQILRTAFOKV-LEWJYISDSA-N 2 2 449.644 0.967 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283560 1072436872 /nfs/dbraw/zinc/43/68/72/1072436872.db2.gz FDAJQILRTAFOKV-NHCUHLMSSA-N 2 2 449.644 0.967 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283561 1072436676 /nfs/dbraw/zinc/43/66/76/1072436676.db2.gz FDAJQILRTAFOKV-RTWAWAEBSA-N 2 2 449.644 0.967 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283562 1072436797 /nfs/dbraw/zinc/43/67/97/1072436797.db2.gz FDAJQILRTAFOKV-SFTDATJTSA-N 2 2 449.644 0.967 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001548283685 1072436778 /nfs/dbraw/zinc/43/67/78/1072436778.db2.gz GYDFFKGYBJAHQP-GOSISDBHSA-N 2 2 449.600 0.499 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001548283685 1072436774 /nfs/dbraw/zinc/43/67/74/1072436774.db2.gz GYDFFKGYBJAHQP-GOSISDBHSA-N 2 2 449.600 0.499 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001548283686 1072436703 /nfs/dbraw/zinc/43/67/03/1072436703.db2.gz GYDFFKGYBJAHQP-SFHVURJKSA-N 2 2 449.600 0.499 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001548283686 1072436700 /nfs/dbraw/zinc/43/67/00/1072436700.db2.gz GYDFFKGYBJAHQP-SFHVURJKSA-N 2 2 449.600 0.499 20 0 ICADLP C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001552876137 1072506454 /nfs/dbraw/zinc/50/64/54/1072506454.db2.gz ITPGPVXKQJTPFI-UHFFFAOYSA-N 2 2 442.568 0.700 20 0 ICADLP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001552877146 1072507037 /nfs/dbraw/zinc/50/70/37/1072507037.db2.gz MDKVFNZOWWDUHE-MSOLQXFVSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001552877146 1072507026 /nfs/dbraw/zinc/50/70/26/1072507026.db2.gz MDKVFNZOWWDUHE-MSOLQXFVSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001552877147 1072507142 /nfs/dbraw/zinc/50/71/42/1072507142.db2.gz MDKVFNZOWWDUHE-QZTJIDSGSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001552877147 1072507133 /nfs/dbraw/zinc/50/71/33/1072507133.db2.gz MDKVFNZOWWDUHE-QZTJIDSGSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001552877148 1072506886 /nfs/dbraw/zinc/50/68/86/1072506886.db2.gz MDKVFNZOWWDUHE-ROUUACIJSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001552877148 1072506877 /nfs/dbraw/zinc/50/68/77/1072506877.db2.gz MDKVFNZOWWDUHE-ROUUACIJSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001552877149 1072507105 /nfs/dbraw/zinc/50/71/05/1072507105.db2.gz MDKVFNZOWWDUHE-ZWKOTPCHSA-N 2 2 440.614 0.433 20 0 ICADLP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001552877149 1072507091 /nfs/dbraw/zinc/50/70/91/1072507091.db2.gz MDKVFNZOWWDUHE-ZWKOTPCHSA-N 2 2 440.614 0.433 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001554302000 1072538455 /nfs/dbraw/zinc/53/84/55/1072538455.db2.gz JQRILCJKTUWTDU-GOSISDBHSA-N 2 2 435.573 0.110 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001554302001 1072538300 /nfs/dbraw/zinc/53/83/00/1072538300.db2.gz JQRILCJKTUWTDU-SFHVURJKSA-N 2 2 435.573 0.110 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCOCC1 ZINC001554302071 1072538276 /nfs/dbraw/zinc/53/82/76/1072538276.db2.gz LJYDBIVJWDJJTO-UHFFFAOYSA-N 2 2 432.573 0.559 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001554302199 1072538498 /nfs/dbraw/zinc/53/84/98/1072538498.db2.gz PEKMDYKYTIXQAD-FQEVSTJZSA-N 2 2 432.598 0.941 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001554302200 1072538611 /nfs/dbraw/zinc/53/86/11/1072538611.db2.gz PEKMDYKYTIXQAD-HXUWFJFHSA-N 2 2 432.598 0.941 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCC(O)CC1 ZINC001554303102 1072539636 /nfs/dbraw/zinc/53/96/36/1072539636.db2.gz ZDNPJJBFEZQHLS-UHFFFAOYSA-N 2 2 443.596 0.879 20 0 ICADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001555120421 1072724221 /nfs/dbraw/zinc/72/42/21/1072724221.db2.gz BRNISXZCVGUNEJ-HNNXBMFYSA-N 2 2 449.581 0.872 20 0 ICADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001555120422 1072724653 /nfs/dbraw/zinc/72/46/53/1072724653.db2.gz BRNISXZCVGUNEJ-OAHLLOKOSA-N 2 2 449.581 0.872 20 0 ICADLP COCC[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555522024 1072792498 /nfs/dbraw/zinc/79/24/98/1072792498.db2.gz OCPAIZDKCCXMNN-GOSISDBHSA-N 2 2 442.568 0.919 20 0 ICADLP COCC[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555522024 1072792491 /nfs/dbraw/zinc/79/24/91/1072792491.db2.gz OCPAIZDKCCXMNN-GOSISDBHSA-N 2 2 442.568 0.919 20 0 ICADLP COCC[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555522025 1072792364 /nfs/dbraw/zinc/79/23/64/1072792364.db2.gz OCPAIZDKCCXMNN-SFHVURJKSA-N 2 2 442.568 0.919 20 0 ICADLP COCC[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555522025 1072792359 /nfs/dbraw/zinc/79/23/59/1072792359.db2.gz OCPAIZDKCCXMNN-SFHVURJKSA-N 2 2 442.568 0.919 20 0 ICADLP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001555578565 1072809324 /nfs/dbraw/zinc/80/93/24/1072809324.db2.gz XTDMZIXUKDPGPA-UHFFFAOYSA-N 2 2 440.552 0.956 20 0 ICADLP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001555578565 1072809315 /nfs/dbraw/zinc/80/93/15/1072809315.db2.gz XTDMZIXUKDPGPA-UHFFFAOYSA-N 2 2 440.552 0.956 20 0 ICADLP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001555587240 1072813415 /nfs/dbraw/zinc/81/34/15/1072813415.db2.gz VRGDOAGCRKXPNW-UHFFFAOYSA-N 2 2 425.541 0.956 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001555587799 1072814398 /nfs/dbraw/zinc/81/43/98/1072814398.db2.gz AEAILBHGESJVFK-KRWDZBQOSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001555587800 1072814117 /nfs/dbraw/zinc/81/41/17/1072814117.db2.gz AEAILBHGESJVFK-QGZVFWFLSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001555591734 1072817464 /nfs/dbraw/zinc/81/74/64/1072817464.db2.gz LVZWMAVZZKMXFG-KRWDZBQOSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001555591734 1072817457 /nfs/dbraw/zinc/81/74/57/1072817457.db2.gz LVZWMAVZZKMXFG-KRWDZBQOSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001555591735 1072817761 /nfs/dbraw/zinc/81/77/61/1072817761.db2.gz LVZWMAVZZKMXFG-QGZVFWFLSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001555591735 1072817754 /nfs/dbraw/zinc/81/77/54/1072817754.db2.gz LVZWMAVZZKMXFG-QGZVFWFLSA-N 2 2 435.573 0.108 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555596326 1072823227 /nfs/dbraw/zinc/82/32/27/1072823227.db2.gz YPVAYASZKUBPGD-IBGZPJMESA-N 2 2 429.569 0.753 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555596326 1072823221 /nfs/dbraw/zinc/82/32/21/1072823221.db2.gz YPVAYASZKUBPGD-IBGZPJMESA-N 2 2 429.569 0.753 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555596327 1072823104 /nfs/dbraw/zinc/82/31/04/1072823104.db2.gz YPVAYASZKUBPGD-LJQANCHMSA-N 2 2 429.569 0.753 20 0 ICADLP COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555596327 1072823090 /nfs/dbraw/zinc/82/30/90/1072823090.db2.gz YPVAYASZKUBPGD-LJQANCHMSA-N 2 2 429.569 0.753 20 0 ICADLP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672790 1072840378 /nfs/dbraw/zinc/84/03/78/1072840378.db2.gz XLFKFXHNKUNMRQ-MOPGFXCFSA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672790 1072840364 /nfs/dbraw/zinc/84/03/64/1072840364.db2.gz XLFKFXHNKUNMRQ-MOPGFXCFSA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672792 1072840658 /nfs/dbraw/zinc/84/06/58/1072840658.db2.gz XLFKFXHNKUNMRQ-OALUTQOASA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672792 1072840643 /nfs/dbraw/zinc/84/06/43/1072840643.db2.gz XLFKFXHNKUNMRQ-OALUTQOASA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672795 1072840533 /nfs/dbraw/zinc/84/05/33/1072840533.db2.gz XLFKFXHNKUNMRQ-RBUKOAKNSA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672795 1072840524 /nfs/dbraw/zinc/84/05/24/1072840524.db2.gz XLFKFXHNKUNMRQ-RBUKOAKNSA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672796 1072840458 /nfs/dbraw/zinc/84/04/58/1072840458.db2.gz XLFKFXHNKUNMRQ-RTBURBONSA-N 2 2 438.573 0.245 20 0 ICADLP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001555672796 1072840451 /nfs/dbraw/zinc/84/04/51/1072840451.db2.gz XLFKFXHNKUNMRQ-RTBURBONSA-N 2 2 438.573 0.245 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)CC1 ZINC001557073473 1073010893 /nfs/dbraw/zinc/01/08/93/1073010893.db2.gz QCFNNAMWVPUNSM-UHFFFAOYSA-N 2 2 441.573 0.904 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)CC1 ZINC001557073473 1073010879 /nfs/dbraw/zinc/01/08/79/1073010879.db2.gz QCFNNAMWVPUNSM-UHFFFAOYSA-N 2 2 441.573 0.904 20 0 ICADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC001557441599 1073044250 /nfs/dbraw/zinc/04/42/50/1073044250.db2.gz PBQKMIDLSDVOSS-UHFFFAOYSA-N 2 2 427.390 0.771 20 0 ICADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC001557441599 1073044245 /nfs/dbraw/zinc/04/42/45/1073044245.db2.gz PBQKMIDLSDVOSS-UHFFFAOYSA-N 2 2 427.390 0.771 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557538680 1073056413 /nfs/dbraw/zinc/05/64/13/1073056413.db2.gz CUAUHZRDEFUVSS-HRAATJIYSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557538680 1073056401 /nfs/dbraw/zinc/05/64/01/1073056401.db2.gz CUAUHZRDEFUVSS-HRAATJIYSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557538681 1073056698 /nfs/dbraw/zinc/05/66/98/1073056698.db2.gz CUAUHZRDEFUVSS-IERDGZPVSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557538681 1073056685 /nfs/dbraw/zinc/05/66/85/1073056685.db2.gz CUAUHZRDEFUVSS-IERDGZPVSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557538682 1073056585 /nfs/dbraw/zinc/05/65/85/1073056585.db2.gz CUAUHZRDEFUVSS-IIBYNOLFSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557538682 1073056578 /nfs/dbraw/zinc/05/65/78/1073056578.db2.gz CUAUHZRDEFUVSS-IIBYNOLFSA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557538683 1073056294 /nfs/dbraw/zinc/05/62/94/1073056294.db2.gz CUAUHZRDEFUVSS-KKSFZXQISA-N 2 2 428.574 0.563 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557538683 1073056286 /nfs/dbraw/zinc/05/62/86/1073056286.db2.gz CUAUHZRDEFUVSS-KKSFZXQISA-N 2 2 428.574 0.563 20 0 ICADLP O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001557696199 1073074459 /nfs/dbraw/zinc/07/44/59/1073074459.db2.gz GOXJYRKNKKDOAK-UHFFFAOYSA-N 2 2 429.565 0.791 20 0 ICADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903088 1073096624 /nfs/dbraw/zinc/09/66/24/1073096624.db2.gz BYSGATKFKDGWFI-FQEVSTJZSA-N 2 2 430.509 0.388 20 0 ICADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903089 1073096808 /nfs/dbraw/zinc/09/68/08/1073096808.db2.gz BYSGATKFKDGWFI-HXUWFJFHSA-N 2 2 430.509 0.388 20 0 ICADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)c2)CC1 ZINC001557903126 1073097367 /nfs/dbraw/zinc/09/73/67/1073097367.db2.gz DPEDBMABHBRCTG-UHFFFAOYSA-N 2 2 438.536 0.691 20 0 ICADLP C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH+](C)C ZINC001557930755 1073100454 /nfs/dbraw/zinc/10/04/54/1073100454.db2.gz NHLKFHRTUWGRSY-WOJBJXKFSA-N 3 2 430.597 0.708 20 0 ICADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001559529686 1073239992 /nfs/dbraw/zinc/23/99/92/1073239992.db2.gz WMOJLTJDVQXUPK-KRWDZBQOSA-N 2 2 432.631 0.474 20 0 ICADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001559529687 1073239829 /nfs/dbraw/zinc/23/98/29/1073239829.db2.gz WMOJLTJDVQXUPK-QGZVFWFLSA-N 2 2 432.631 0.474 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669052 1073244440 /nfs/dbraw/zinc/24/44/40/1073244440.db2.gz SMPGZIHSLCWACF-DLBZAZTESA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669052 1073244436 /nfs/dbraw/zinc/24/44/36/1073244436.db2.gz SMPGZIHSLCWACF-DLBZAZTESA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669053 1073244529 /nfs/dbraw/zinc/24/45/29/1073244529.db2.gz SMPGZIHSLCWACF-IAGOWNOFSA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669053 1073244528 /nfs/dbraw/zinc/24/45/28/1073244528.db2.gz SMPGZIHSLCWACF-IAGOWNOFSA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669054 1073244516 /nfs/dbraw/zinc/24/45/16/1073244516.db2.gz SMPGZIHSLCWACF-IRXDYDNUSA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669054 1073244514 /nfs/dbraw/zinc/24/45/14/1073244514.db2.gz SMPGZIHSLCWACF-IRXDYDNUSA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669055 1073244479 /nfs/dbraw/zinc/24/44/79/1073244479.db2.gz SMPGZIHSLCWACF-SJORKVTESA-N 2 2 436.553 0.953 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669055 1073244477 /nfs/dbraw/zinc/24/44/77/1073244477.db2.gz SMPGZIHSLCWACF-SJORKVTESA-N 2 2 436.553 0.953 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC2)CC1 ZINC001559920074 1073256266 /nfs/dbraw/zinc/25/62/66/1073256266.db2.gz ZFBHBFRMNXPIPK-UHFFFAOYSA-N 2 2 435.535 0.958 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC2)CC1 ZINC001559920074 1073256261 /nfs/dbraw/zinc/25/62/61/1073256261.db2.gz ZFBHBFRMNXPIPK-UHFFFAOYSA-N 2 2 435.535 0.958 20 0 ICADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055737 1073271330 /nfs/dbraw/zinc/27/13/30/1073271330.db2.gz LGFQJNHNZOCKAP-KSZLIROESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055737 1073271319 /nfs/dbraw/zinc/27/13/19/1073271319.db2.gz LGFQJNHNZOCKAP-KSZLIROESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055737 1073271314 /nfs/dbraw/zinc/27/13/14/1073271314.db2.gz LGFQJNHNZOCKAP-KSZLIROESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055737 1073271308 /nfs/dbraw/zinc/27/13/08/1073271308.db2.gz LGFQJNHNZOCKAP-KSZLIROESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055738 1073271717 /nfs/dbraw/zinc/27/17/17/1073271717.db2.gz LGFQJNHNZOCKAP-KURKYZTESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055738 1073271710 /nfs/dbraw/zinc/27/17/10/1073271710.db2.gz LGFQJNHNZOCKAP-KURKYZTESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055738 1073271704 /nfs/dbraw/zinc/27/17/04/1073271704.db2.gz LGFQJNHNZOCKAP-KURKYZTESA-N 2 2 436.578 0.918 20 0 ICADLP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055738 1073271696 /nfs/dbraw/zinc/27/16/96/1073271696.db2.gz LGFQJNHNZOCKAP-KURKYZTESA-N 2 2 436.578 0.918 20 0 ICADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCCCCNC(=O)CC2)CC1 ZINC001560057340 1073272214 /nfs/dbraw/zinc/27/22/14/1073272214.db2.gz OJWGTZGYJYLCPX-UHFFFAOYSA-N 2 2 428.541 0.394 20 0 ICADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCCCCNC(=O)CC2)CC1 ZINC001560057340 1073272207 /nfs/dbraw/zinc/27/22/07/1073272207.db2.gz OJWGTZGYJYLCPX-UHFFFAOYSA-N 2 2 428.541 0.394 20 0 ICADLP NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001560217144 1073290319 /nfs/dbraw/zinc/29/03/19/1073290319.db2.gz GMVYXDWNMFGXHR-UHFFFAOYSA-N 2 2 438.594 0.306 20 0 ICADLP CC(C)N(CCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC001560217983 1073290001 /nfs/dbraw/zinc/29/00/01/1073290001.db2.gz RTXBANOCGAKGBS-UHFFFAOYSA-N 2 2 432.631 0.476 20 0 ICADLP COC(=O)[C@H]1C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220097 1073290147 /nfs/dbraw/zinc/29/01/47/1073290147.db2.gz DBIJJYZEBOVOJL-BGYRXZFFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@H]1C[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220097 1073290133 /nfs/dbraw/zinc/29/01/33/1073290133.db2.gz DBIJJYZEBOVOJL-BGYRXZFFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220097 1073290120 /nfs/dbraw/zinc/29/01/20/1073290120.db2.gz DBIJJYZEBOVOJL-BGYRXZFFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@H]1C[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220097 1073290104 /nfs/dbraw/zinc/29/01/04/1073290104.db2.gz DBIJJYZEBOVOJL-BGYRXZFFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@H]1C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C[C@@H]1C(=O)OC ZINC001560220098 1073289966 /nfs/dbraw/zinc/28/99/66/1073289966.db2.gz DBIJJYZEBOVOJL-PMACEKPBSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@H]1C[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C[C@@H]1C(=O)OC ZINC001560220098 1073289958 /nfs/dbraw/zinc/28/99/58/1073289958.db2.gz DBIJJYZEBOVOJL-PMACEKPBSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@@H]1C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220099 1073290361 /nfs/dbraw/zinc/29/03/61/1073290361.db2.gz DBIJJYZEBOVOJL-WOJBJXKFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@@H]1C[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220099 1073290352 /nfs/dbraw/zinc/29/03/52/1073290352.db2.gz DBIJJYZEBOVOJL-WOJBJXKFSA-N 2 2 431.533 0.923 20 0 ICADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1(F)F ZINC001560787708 1073295077 /nfs/dbraw/zinc/29/50/77/1073295077.db2.gz AAPITTSPAUQYAF-KMFMINBZSA-N 2 2 425.480 0.477 20 0 ICADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1(F)F ZINC001560787709 1073294929 /nfs/dbraw/zinc/29/49/29/1073294929.db2.gz AAPITTSPAUQYAF-LXZKKBNFSA-N 2 2 425.480 0.477 20 0 ICADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1(F)F ZINC001560787710 1073294816 /nfs/dbraw/zinc/29/48/16/1073294816.db2.gz AAPITTSPAUQYAF-QRTARXTBSA-N 2 2 425.480 0.477 20 0 ICADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1(F)F ZINC001560787711 1073295090 /nfs/dbraw/zinc/29/50/90/1073295090.db2.gz AAPITTSPAUQYAF-UNEWFSDZSA-N 2 2 425.480 0.477 20 0 ICADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC001560788159 1073295130 /nfs/dbraw/zinc/29/51/30/1073295130.db2.gz MDMLSVGZBVMFDY-INIZCTEOSA-N 2 2 426.521 0.805 20 0 ICADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC001560788160 1073294911 /nfs/dbraw/zinc/29/49/11/1073294911.db2.gz MDMLSVGZBVMFDY-MRXNPFEDSA-N 2 2 426.521 0.805 20 0 ICADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433647 1073331415 /nfs/dbraw/zinc/33/14/15/1073331415.db2.gz AYOSSVBEGNQEMC-MSOLQXFVSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433647 1073331405 /nfs/dbraw/zinc/33/14/05/1073331405.db2.gz AYOSSVBEGNQEMC-MSOLQXFVSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433648 1073331473 /nfs/dbraw/zinc/33/14/73/1073331473.db2.gz AYOSSVBEGNQEMC-QZTJIDSGSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433648 1073331465 /nfs/dbraw/zinc/33/14/65/1073331465.db2.gz AYOSSVBEGNQEMC-QZTJIDSGSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433649 1073331282 /nfs/dbraw/zinc/33/12/82/1073331282.db2.gz AYOSSVBEGNQEMC-ROUUACIJSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433649 1073331269 /nfs/dbraw/zinc/33/12/69/1073331269.db2.gz AYOSSVBEGNQEMC-ROUUACIJSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433650 1073331330 /nfs/dbraw/zinc/33/13/30/1073331330.db2.gz AYOSSVBEGNQEMC-ZWKOTPCHSA-N 2 2 438.660 0.654 20 0 ICADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001561433650 1073331321 /nfs/dbraw/zinc/33/13/21/1073331321.db2.gz AYOSSVBEGNQEMC-ZWKOTPCHSA-N 2 2 438.660 0.654 20 0 ICADLP CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC001561693545 1073358573 /nfs/dbraw/zinc/35/85/73/1073358573.db2.gz WNWHJOUYTHDVOW-GOSISDBHSA-N 2 2 430.615 0.998 20 0 ICADLP CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC001561693545 1073358563 /nfs/dbraw/zinc/35/85/63/1073358563.db2.gz WNWHJOUYTHDVOW-GOSISDBHSA-N 2 2 430.615 0.998 20 0 ICADLP CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC001561693546 1073358758 /nfs/dbraw/zinc/35/87/58/1073358758.db2.gz WNWHJOUYTHDVOW-SFHVURJKSA-N 2 2 430.615 0.998 20 0 ICADLP CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC001561693546 1073358737 /nfs/dbraw/zinc/35/87/37/1073358737.db2.gz WNWHJOUYTHDVOW-SFHVURJKSA-N 2 2 430.615 0.998 20 0 ICADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001561694351 1073359452 /nfs/dbraw/zinc/35/94/52/1073359452.db2.gz PDPMTKZOGATWMW-KRWDZBQOSA-N 2 2 426.587 0.035 20 0 ICADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001561694360 1073359275 /nfs/dbraw/zinc/35/92/75/1073359275.db2.gz PDPMTKZOGATWMW-QGZVFWFLSA-N 2 2 426.587 0.035 20 0 ICADLP C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001561900826 1073395058 /nfs/dbraw/zinc/39/50/58/1073395058.db2.gz ICZANDUTBXKNQS-UHFFFAOYSA-N 2 2 449.621 0.966 20 0 ICADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001562047387 1073431723 /nfs/dbraw/zinc/43/17/23/1073431723.db2.gz VVCSWNCCJKDXAM-UHFFFAOYSA-N 2 2 427.571 0.713 20 0 ICADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001562047387 1073431711 /nfs/dbraw/zinc/43/17/11/1073431711.db2.gz VVCSWNCCJKDXAM-UHFFFAOYSA-N 2 2 427.571 0.713 20 0 ICADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001562280753 1073446407 /nfs/dbraw/zinc/44/64/07/1073446407.db2.gz GUAIDPZEDRUKDX-UHFFFAOYSA-N 2 2 432.569 0.794 20 0 ICADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001562280753 1073446400 /nfs/dbraw/zinc/44/64/00/1073446400.db2.gz GUAIDPZEDRUKDX-UHFFFAOYSA-N 2 2 432.569 0.794 20 0 ICADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC001562326112 1073447511 /nfs/dbraw/zinc/44/75/11/1073447511.db2.gz BVHLPFPWSPURKG-KRWDZBQOSA-N 2 2 439.582 0.543 20 0 ICADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC001562326112 1073447502 /nfs/dbraw/zinc/44/75/02/1073447502.db2.gz BVHLPFPWSPURKG-KRWDZBQOSA-N 2 2 439.582 0.543 20 0 ICADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001562355538 1073449882 /nfs/dbraw/zinc/44/98/82/1073449882.db2.gz DLHISUKMEDCFFQ-UHFFFAOYSA-N 2 2 441.602 0.168 20 0 ICADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001562355538 1073449876 /nfs/dbraw/zinc/44/98/76/1073449876.db2.gz DLHISUKMEDCFFQ-UHFFFAOYSA-N 2 2 441.602 0.168 20 0 ICADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001562423329 1073454379 /nfs/dbraw/zinc/45/43/79/1073454379.db2.gz DNFCUTPKRDBOBC-UHFFFAOYSA-N 2 2 433.557 0.553 20 0 ICADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC001562452358 1073456640 /nfs/dbraw/zinc/45/66/40/1073456640.db2.gz GZPFOQRJDZMBRE-UHFFFAOYSA-N 2 2 430.553 0.289 20 0 ICADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446367 1073488619 /nfs/dbraw/zinc/48/86/19/1073488619.db2.gz FRQQEIZYORGFIG-GOSISDBHSA-N 2 2 438.598 0.658 20 0 ICADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446367 1073488616 /nfs/dbraw/zinc/48/86/16/1073488616.db2.gz FRQQEIZYORGFIG-GOSISDBHSA-N 2 2 438.598 0.658 20 0 ICADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446368 1073488452 /nfs/dbraw/zinc/48/84/52/1073488452.db2.gz FRQQEIZYORGFIG-SFHVURJKSA-N 2 2 438.598 0.658 20 0 ICADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446368 1073488446 /nfs/dbraw/zinc/48/84/46/1073488446.db2.gz FRQQEIZYORGFIG-SFHVURJKSA-N 2 2 438.598 0.658 20 0 ICADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001563446452 1073488521 /nfs/dbraw/zinc/48/85/21/1073488521.db2.gz IBUROUKZECUDMI-BZSNNMDCSA-N 2 2 436.582 0.173 20 0 ICADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001563446452 1073488518 /nfs/dbraw/zinc/48/85/18/1073488518.db2.gz IBUROUKZECUDMI-BZSNNMDCSA-N 2 2 436.582 0.173 20 0 ICADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001563446453 1073488684 /nfs/dbraw/zinc/48/86/84/1073488684.db2.gz IBUROUKZECUDMI-KSZLIROESA-N 2 2 436.582 0.173 20 0 ICADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001563446453 1073488679 /nfs/dbraw/zinc/48/86/79/1073488679.db2.gz IBUROUKZECUDMI-KSZLIROESA-N 2 2 436.582 0.173 20 0 ICADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001563446454 1073489462 /nfs/dbraw/zinc/48/94/62/1073489462.db2.gz IBUROUKZECUDMI-OKZBNKHCSA-N 2 2 436.582 0.173 20 0 ICADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001563446454 1073489456 /nfs/dbraw/zinc/48/94/56/1073489456.db2.gz IBUROUKZECUDMI-OKZBNKHCSA-N 2 2 436.582 0.173 20 0 ICADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001563446455 1073489331 /nfs/dbraw/zinc/48/93/31/1073489331.db2.gz IBUROUKZECUDMI-RCCFBDPRSA-N 2 2 436.582 0.173 20 0 ICADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001563446455 1073489328 /nfs/dbraw/zinc/48/93/28/1073489328.db2.gz IBUROUKZECUDMI-RCCFBDPRSA-N 2 2 436.582 0.173 20 0 ICADLP C[NH+]1CCC2(CCN2C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001563446542 1073489239 /nfs/dbraw/zinc/48/92/39/1073489239.db2.gz LBQUZJWQHACJBS-UHFFFAOYSA-N 2 2 436.582 0.413 20 0 ICADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC001563446609 1073489275 /nfs/dbraw/zinc/48/92/75/1073489275.db2.gz MVTAVRRTFPZRDI-MSOLQXFVSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC001563446609 1073489273 /nfs/dbraw/zinc/48/92/73/1073489273.db2.gz MVTAVRRTFPZRDI-MSOLQXFVSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC001563446610 1073489305 /nfs/dbraw/zinc/48/93/05/1073489305.db2.gz MVTAVRRTFPZRDI-QZTJIDSGSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC001563446610 1073489302 /nfs/dbraw/zinc/48/93/02/1073489302.db2.gz MVTAVRRTFPZRDI-QZTJIDSGSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC001563446611 1073489362 /nfs/dbraw/zinc/48/93/62/1073489362.db2.gz MVTAVRRTFPZRDI-ROUUACIJSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC001563446611 1073489359 /nfs/dbraw/zinc/48/93/59/1073489359.db2.gz MVTAVRRTFPZRDI-ROUUACIJSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC001563446612 1073489408 /nfs/dbraw/zinc/48/94/08/1073489408.db2.gz MVTAVRRTFPZRDI-ZWKOTPCHSA-N 2 2 436.582 0.269 20 0 ICADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC001563446612 1073489403 /nfs/dbraw/zinc/48/94/03/1073489403.db2.gz MVTAVRRTFPZRDI-ZWKOTPCHSA-N 2 2 436.582 0.269 20 0 ICADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001563637608 1073501390 /nfs/dbraw/zinc/50/13/90/1073501390.db2.gz DNXPSQGBPDEDLQ-UHFFFAOYSA-N 2 2 445.608 0.985 20 0 ICADLP CN1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[N@@H+](C)CC1 ZINC001563680509 1073503842 /nfs/dbraw/zinc/50/38/42/1073503842.db2.gz VZFZRFQFLKACLI-UHFFFAOYSA-N 2 2 446.596 0.736 20 0 ICADLP CN1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[N@H+](C)CC1 ZINC001563680509 1073503835 /nfs/dbraw/zinc/50/38/35/1073503835.db2.gz VZFZRFQFLKACLI-UHFFFAOYSA-N 2 2 446.596 0.736 20 0 ICADLP O=C(CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815498 1073513024 /nfs/dbraw/zinc/51/30/24/1073513024.db2.gz KPTADAARELPQIP-IBGZPJMESA-N 2 2 430.553 0.361 20 0 ICADLP O=C(CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815498 1073513017 /nfs/dbraw/zinc/51/30/17/1073513017.db2.gz KPTADAARELPQIP-IBGZPJMESA-N 2 2 430.553 0.361 20 0 ICADLP O=C(CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815499 1073512882 /nfs/dbraw/zinc/51/28/82/1073512882.db2.gz KPTADAARELPQIP-LJQANCHMSA-N 2 2 430.553 0.361 20 0 ICADLP O=C(CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815499 1073512868 /nfs/dbraw/zinc/51/28/68/1073512868.db2.gz KPTADAARELPQIP-LJQANCHMSA-N 2 2 430.553 0.361 20 0 ICADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001563925525 1073522545 /nfs/dbraw/zinc/52/25/45/1073522545.db2.gz VNGZJXIDOKZEQE-JOCHJYFZSA-N 2 2 433.597 0.965 20 0 ICADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001563925526 1073522445 /nfs/dbraw/zinc/52/24/45/1073522445.db2.gz VNGZJXIDOKZEQE-QFIPXVFZSA-N 2 2 433.597 0.965 20 0 ICADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001563927086 1073522512 /nfs/dbraw/zinc/52/25/12/1073522512.db2.gz FPDNOQABTNDRME-UHFFFAOYSA-N 2 2 430.597 0.899 20 0 ICADLP CN(C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC001563993255 1073529581 /nfs/dbraw/zinc/52/95/81/1073529581.db2.gz XIEKFMLPDXDBSS-ACRUOGEOSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC001563993255 1073529569 /nfs/dbraw/zinc/52/95/69/1073529569.db2.gz XIEKFMLPDXDBSS-ACRUOGEOSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001563993255 1073529557 /nfs/dbraw/zinc/52/95/57/1073529557.db2.gz XIEKFMLPDXDBSS-ACRUOGEOSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001563993255 1073529544 /nfs/dbraw/zinc/52/95/44/1073529544.db2.gz XIEKFMLPDXDBSS-ACRUOGEOSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC001563993256 1073529703 /nfs/dbraw/zinc/52/97/03/1073529703.db2.gz XIEKFMLPDXDBSS-HBMCJLEFSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC001563993256 1073529688 /nfs/dbraw/zinc/52/96/88/1073529688.db2.gz XIEKFMLPDXDBSS-HBMCJLEFSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001563993256 1073529681 /nfs/dbraw/zinc/52/96/81/1073529681.db2.gz XIEKFMLPDXDBSS-HBMCJLEFSA-N 2 2 429.565 0.998 20 0 ICADLP CN(C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001563993256 1073529671 /nfs/dbraw/zinc/52/96/71/1073529671.db2.gz XIEKFMLPDXDBSS-HBMCJLEFSA-N 2 2 429.565 0.998 20 0 ICADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001564022021 1073531476 /nfs/dbraw/zinc/53/14/76/1073531476.db2.gz NBPYWWXRLMOTOR-UHFFFAOYSA-N 2 2 431.525 0.731 20 0 ICADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001564022021 1073531465 /nfs/dbraw/zinc/53/14/65/1073531465.db2.gz NBPYWWXRLMOTOR-UHFFFAOYSA-N 2 2 431.525 0.731 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOCCOCC(=O)OC(C)(C)C)C2)CC1 ZINC001564077791 1073534765 /nfs/dbraw/zinc/53/47/65/1073534765.db2.gz VJJKVICYVLMCLO-KRWDZBQOSA-N 2 2 428.574 0.829 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCCOCC(=O)OC(C)(C)C)C2)CC1 ZINC001564077791 1073534750 /nfs/dbraw/zinc/53/47/50/1073534750.db2.gz VJJKVICYVLMCLO-KRWDZBQOSA-N 2 2 428.574 0.829 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOCCOCC(=O)OC(C)(C)C)C2)CC1 ZINC001564077792 1073534954 /nfs/dbraw/zinc/53/49/54/1073534954.db2.gz VJJKVICYVLMCLO-QGZVFWFLSA-N 2 2 428.574 0.829 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOCCOCC(=O)OC(C)(C)C)C2)CC1 ZINC001564077792 1073534945 /nfs/dbraw/zinc/53/49/45/1073534945.db2.gz VJJKVICYVLMCLO-QGZVFWFLSA-N 2 2 428.574 0.829 20 0 ICADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001564800295 1071762983 /nfs/dbraw/zinc/76/29/83/1071762983.db2.gz QREYPGFCOBELRJ-IBGZPJMESA-N 2 2 444.646 0.316 20 0 ICADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001564898367 1071769311 /nfs/dbraw/zinc/76/93/11/1071769311.db2.gz PQLRLHMZKUPBAZ-JOCHJYFZSA-N 2 2 445.608 0.983 20 0 ICADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001564898367 1071769301 /nfs/dbraw/zinc/76/93/01/1071769301.db2.gz PQLRLHMZKUPBAZ-JOCHJYFZSA-N 2 2 445.608 0.983 20 0 ICADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001564898368 1071769676 /nfs/dbraw/zinc/76/96/76/1071769676.db2.gz PQLRLHMZKUPBAZ-QFIPXVFZSA-N 2 2 445.608 0.983 20 0 ICADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001564898368 1071769672 /nfs/dbraw/zinc/76/96/72/1071769672.db2.gz PQLRLHMZKUPBAZ-QFIPXVFZSA-N 2 2 445.608 0.983 20 0 ICADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001564944326 1071772360 /nfs/dbraw/zinc/77/23/60/1071772360.db2.gz ZZFDERRFGNNIDP-BHIFYINESA-N 2 2 434.581 0.858 20 0 ICADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001564944326 1071772356 /nfs/dbraw/zinc/77/23/56/1071772356.db2.gz ZZFDERRFGNNIDP-BHIFYINESA-N 2 2 434.581 0.858 20 0 ICADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001564944328 1071772317 /nfs/dbraw/zinc/77/23/17/1071772317.db2.gz ZZFDERRFGNNIDP-YPAWHYETSA-N 2 2 434.581 0.858 20 0 ICADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001564944328 1071772303 /nfs/dbraw/zinc/77/23/03/1071772303.db2.gz ZZFDERRFGNNIDP-YPAWHYETSA-N 2 2 434.581 0.858 20 0 ICADLP C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069922 1071788577 /nfs/dbraw/zinc/78/85/77/1071788577.db2.gz PWGULIFJYXNVAC-CVEARBPZSA-N 2 2 426.562 0.177 20 0 ICADLP C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069922 1071788570 /nfs/dbraw/zinc/78/85/70/1071788570.db2.gz PWGULIFJYXNVAC-CVEARBPZSA-N 2 2 426.562 0.177 20 0 ICADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069922 1071788566 /nfs/dbraw/zinc/78/85/66/1071788566.db2.gz PWGULIFJYXNVAC-CVEARBPZSA-N 2 2 426.562 0.177 20 0 ICADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069922 1071788559 /nfs/dbraw/zinc/78/85/59/1071788559.db2.gz PWGULIFJYXNVAC-CVEARBPZSA-N 2 2 426.562 0.177 20 0 ICADLP C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069923 1071789097 /nfs/dbraw/zinc/78/90/97/1071789097.db2.gz PWGULIFJYXNVAC-HOTGVXAUSA-N 2 2 426.562 0.177 20 0 ICADLP C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069923 1071789086 /nfs/dbraw/zinc/78/90/86/1071789086.db2.gz PWGULIFJYXNVAC-HOTGVXAUSA-N 2 2 426.562 0.177 20 0 ICADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069923 1071789080 /nfs/dbraw/zinc/78/90/80/1071789080.db2.gz PWGULIFJYXNVAC-HOTGVXAUSA-N 2 2 426.562 0.177 20 0 ICADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565069923 1071789072 /nfs/dbraw/zinc/78/90/72/1071789072.db2.gz PWGULIFJYXNVAC-HOTGVXAUSA-N 2 2 426.562 0.177 20 0 ICADLP COC(=O)c1ccc(/C=C\C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC001565595162 1071851266 /nfs/dbraw/zinc/85/12/66/1071851266.db2.gz CWNFTLJOXXVRQG-ALCCZGGFSA-N 2 2 432.521 0.776 20 0 ICADLP COC(=O)c1ccc(/C=C/C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC001565595163 1071851414 /nfs/dbraw/zinc/85/14/14/1071851414.db2.gz CWNFTLJOXXVRQG-FNORWQNLSA-N 2 2 432.521 0.776 20 0 ICADLP CN(C(=O)C1(n2cnnn2)CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595190 1071851384 /nfs/dbraw/zinc/85/13/84/1071851384.db2.gz DVJDZXDYBADULL-UHFFFAOYSA-N 2 2 432.573 0.029 20 0 ICADLP CCOC(=O)c1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)[nH]c1C ZINC001565595285 1071851284 /nfs/dbraw/zinc/85/12/84/1071851284.db2.gz HUBTXAMFZKIXAO-UHFFFAOYSA-N 2 2 433.553 0.810 20 0 ICADLP CN(C(=O)c1cc(C(F)(F)F)nn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595297 1071851401 /nfs/dbraw/zinc/85/14/01/1071851401.db2.gz IGCOYTDMMAUSPZ-UHFFFAOYSA-N 2 2 430.475 0.749 20 0 ICADLP COC(=O)c1ccc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001565595660 1071851127 /nfs/dbraw/zinc/85/11/27/1071851127.db2.gz VHKLINMGNSMIKL-UHFFFAOYSA-N 2 2 431.537 0.108 20 0 ICADLP CN(C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595702 1071851326 /nfs/dbraw/zinc/85/13/26/1071851326.db2.gz XFDYSNFJSCKNCA-DHIUTWEWSA-N 2 2 444.576 0.840 20 0 ICADLP CN(C(=O)c1cc2cc(F)ccc2[nH]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595782 1071851346 /nfs/dbraw/zinc/85/13/46/1071851346.db2.gz ZZMUBSAOLDFVTE-UHFFFAOYSA-N 2 2 443.523 0.978 20 0 ICADLP CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595924 1071851223 /nfs/dbraw/zinc/85/12/23/1071851223.db2.gz GFLHHUGMSJHQJJ-GOSISDBHSA-N 2 2 445.539 0.948 20 0 ICADLP CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595925 1071852038 /nfs/dbraw/zinc/85/20/38/1071852038.db2.gz GFLHHUGMSJHQJJ-SFHVURJKSA-N 2 2 445.539 0.948 20 0 ICADLP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001565618577 1071854823 /nfs/dbraw/zinc/85/48/23/1071854823.db2.gz CJMJIYRUTJXJJT-RTWAWAEBSA-N 2 2 438.613 0.953 20 0 ICADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565627075 1071857806 /nfs/dbraw/zinc/85/78/06/1071857806.db2.gz XZUJYJJVITXYJZ-INIZCTEOSA-N 2 2 434.603 0.457 20 0 ICADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565627076 1071857977 /nfs/dbraw/zinc/85/79/77/1071857977.db2.gz XZUJYJJVITXYJZ-MRXNPFEDSA-N 2 2 434.603 0.457 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001565695236 1071865432 /nfs/dbraw/zinc/86/54/32/1071865432.db2.gz JNCJQXREDLNEKP-HNNXBMFYSA-N 2 2 440.566 0.592 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001565695236 1071865427 /nfs/dbraw/zinc/86/54/27/1071865427.db2.gz JNCJQXREDLNEKP-HNNXBMFYSA-N 2 2 440.566 0.592 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001565695237 1071865540 /nfs/dbraw/zinc/86/55/40/1071865540.db2.gz JNCJQXREDLNEKP-OAHLLOKOSA-N 2 2 440.566 0.592 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001565695237 1071865530 /nfs/dbraw/zinc/86/55/30/1071865530.db2.gz JNCJQXREDLNEKP-OAHLLOKOSA-N 2 2 440.566 0.592 20 0 ICADLP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695967 1071866402 /nfs/dbraw/zinc/86/64/02/1071866402.db2.gz IOXUVVBUBFKLGQ-APWZRJJASA-N 2 2 438.594 0.586 20 0 ICADLP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695967 1071866386 /nfs/dbraw/zinc/86/63/86/1071866386.db2.gz IOXUVVBUBFKLGQ-APWZRJJASA-N 2 2 438.594 0.586 20 0 ICADLP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695968 1071866278 /nfs/dbraw/zinc/86/62/78/1071866278.db2.gz IOXUVVBUBFKLGQ-LPHOPBHVSA-N 2 2 438.594 0.586 20 0 ICADLP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695968 1071866264 /nfs/dbraw/zinc/86/62/64/1071866264.db2.gz IOXUVVBUBFKLGQ-LPHOPBHVSA-N 2 2 438.594 0.586 20 0 ICADLP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695969 1071866482 /nfs/dbraw/zinc/86/64/82/1071866482.db2.gz IOXUVVBUBFKLGQ-QFBILLFUSA-N 2 2 438.594 0.586 20 0 ICADLP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695969 1071866476 /nfs/dbraw/zinc/86/64/76/1071866476.db2.gz IOXUVVBUBFKLGQ-QFBILLFUSA-N 2 2 438.594 0.586 20 0 ICADLP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695970 1071866505 /nfs/dbraw/zinc/86/65/05/1071866505.db2.gz IOXUVVBUBFKLGQ-VQIMIIECSA-N 2 2 438.594 0.586 20 0 ICADLP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001565695970 1071866501 /nfs/dbraw/zinc/86/65/01/1071866501.db2.gz IOXUVVBUBFKLGQ-VQIMIIECSA-N 2 2 438.594 0.586 20 0 ICADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC001565918539 1071878772 /nfs/dbraw/zinc/87/87/72/1071878772.db2.gz XFXVUEQGTRKMHO-UHFFFAOYSA-N 2 2 437.629 0.480 20 0 ICADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829824 1071957476 /nfs/dbraw/zinc/95/74/76/1071957476.db2.gz DVAHSGNQGFCISN-PMACEKPBSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829824 1071957474 /nfs/dbraw/zinc/95/74/74/1071957474.db2.gz DVAHSGNQGFCISN-PMACEKPBSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829825 1071957420 /nfs/dbraw/zinc/95/74/20/1071957420.db2.gz DVAHSGNQGFCISN-UXHICEINSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829825 1071957415 /nfs/dbraw/zinc/95/74/15/1071957415.db2.gz DVAHSGNQGFCISN-UXHICEINSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829826 1071957387 /nfs/dbraw/zinc/95/73/87/1071957387.db2.gz DVAHSGNQGFCISN-VQTJNVASSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829826 1071957383 /nfs/dbraw/zinc/95/73/83/1071957383.db2.gz DVAHSGNQGFCISN-VQTJNVASSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829827 1071957450 /nfs/dbraw/zinc/95/74/50/1071957450.db2.gz DVAHSGNQGFCISN-WOJBJXKFSA-N 2 2 427.553 0.978 20 0 ICADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1=O ZINC001568829827 1071957448 /nfs/dbraw/zinc/95/74/48/1071957448.db2.gz DVAHSGNQGFCISN-WOJBJXKFSA-N 2 2 427.553 0.978 20 0 ICADLP CCN1CC[NH+](CCC(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001569932020 1071991367 /nfs/dbraw/zinc/99/13/67/1071991367.db2.gz DQICGSNMNUBJEN-UHFFFAOYSA-N 2 2 429.565 0.700 20 0 ICADLP CCN1CC[NH+](CCC(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001569932020 1071991363 /nfs/dbraw/zinc/99/13/63/1071991363.db2.gz DQICGSNMNUBJEN-UHFFFAOYSA-N 2 2 429.565 0.700 20 0 ICADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC001569932199 1071991756 /nfs/dbraw/zinc/99/17/56/1071991756.db2.gz KHEOYDABTVDJLH-FBMGVBCBSA-N 2 2 428.533 0.951 20 0 ICADLP C/C(=C\C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC001569932199 1071991753 /nfs/dbraw/zinc/99/17/53/1071991753.db2.gz KHEOYDABTVDJLH-FBMGVBCBSA-N 2 2 428.533 0.951 20 0 ICADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC001569932200 1071991838 /nfs/dbraw/zinc/99/18/38/1071991838.db2.gz KHEOYDABTVDJLH-VLGSPTGOSA-N 2 2 428.533 0.951 20 0 ICADLP C/C(=C/C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC001569932200 1071991833 /nfs/dbraw/zinc/99/18/33/1071991833.db2.gz KHEOYDABTVDJLH-VLGSPTGOSA-N 2 2 428.533 0.951 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)CC1 ZINC001570441162 1072013976 /nfs/dbraw/zinc/01/39/76/1072013976.db2.gz WWNAECOAIZGXPY-UHFFFAOYSA-N 2 2 442.358 0.730 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)CC1 ZINC001570441162 1072013968 /nfs/dbraw/zinc/01/39/68/1072013968.db2.gz WWNAECOAIZGXPY-UHFFFAOYSA-N 2 2 442.358 0.730 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)CC1 ZINC001570442548 1072014167 /nfs/dbraw/zinc/01/41/67/1072014167.db2.gz XRHOFEHEZLHQMY-FQEVSTJZSA-N 2 2 447.555 0.818 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)CC1 ZINC001570442548 1072014154 /nfs/dbraw/zinc/01/41/54/1072014154.db2.gz XRHOFEHEZLHQMY-FQEVSTJZSA-N 2 2 447.555 0.818 20 0 ICADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)CC1 ZINC001570442549 1072014309 /nfs/dbraw/zinc/01/43/09/1072014309.db2.gz XRHOFEHEZLHQMY-HXUWFJFHSA-N 2 2 447.555 0.818 20 0 ICADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)CC1 ZINC001570442549 1072014296 /nfs/dbraw/zinc/01/42/96/1072014296.db2.gz XRHOFEHEZLHQMY-HXUWFJFHSA-N 2 2 447.555 0.818 20 0 ICADLP COCC(COC)[NH+]1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC001583788286 1072070867 /nfs/dbraw/zinc/07/08/67/1072070867.db2.gz VPDSTSQNRZSQGX-UHFFFAOYSA-N 2 2 442.564 0.983 20 0 ICADLP COCC(COC)[NH+]1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC001583788286 1072070857 /nfs/dbraw/zinc/07/08/57/1072070857.db2.gz VPDSTSQNRZSQGX-UHFFFAOYSA-N 2 2 442.564 0.983 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)CC2)CC1 ZINC001583984549 1072081227 /nfs/dbraw/zinc/08/12/27/1072081227.db2.gz HIGOUTPSDQFBRU-IBGZPJMESA-N 2 2 430.553 0.852 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)CC2)CC1 ZINC001583984550 1072081191 /nfs/dbraw/zinc/08/11/91/1072081191.db2.gz HIGOUTPSDQFBRU-LJQANCHMSA-N 2 2 430.553 0.852 20 0 ICADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC001584583626 1072104022 /nfs/dbraw/zinc/10/40/22/1072104022.db2.gz AJWUMZNOGPAKJR-DHIUTWEWSA-N 2 2 446.592 0.733 20 0 ICADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC001584583626 1072104017 /nfs/dbraw/zinc/10/40/17/1072104017.db2.gz AJWUMZNOGPAKJR-DHIUTWEWSA-N 2 2 446.592 0.733 20 0 ICADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)COC3CC[NH+](C)CC3)cc2)CC1 ZINC001584586594 1072104622 /nfs/dbraw/zinc/10/46/22/1072104622.db2.gz XHAALEAGWXHQAS-UHFFFAOYSA-N 2 2 446.592 0.999 20 0 ICADLP CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001584773094 1072113467 /nfs/dbraw/zinc/11/34/67/1072113467.db2.gz QRLFSQKYLZTQOP-BHIYHBOVSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001584773094 1072113462 /nfs/dbraw/zinc/11/34/62/1072113462.db2.gz QRLFSQKYLZTQOP-BHIYHBOVSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001584773095 1072113578 /nfs/dbraw/zinc/11/35/78/1072113578.db2.gz QRLFSQKYLZTQOP-QRQLOZEOSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001584773095 1072113576 /nfs/dbraw/zinc/11/35/76/1072113576.db2.gz QRLFSQKYLZTQOP-QRQLOZEOSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001584773096 1072113622 /nfs/dbraw/zinc/11/36/22/1072113622.db2.gz QRLFSQKYLZTQOP-QXAKKESOSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001584773096 1072113620 /nfs/dbraw/zinc/11/36/20/1072113620.db2.gz QRLFSQKYLZTQOP-QXAKKESOSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001584773097 1072113550 /nfs/dbraw/zinc/11/35/50/1072113550.db2.gz QRLFSQKYLZTQOP-UHOSZYNNSA-N 2 2 433.557 0.796 20 0 ICADLP CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001584773097 1072113549 /nfs/dbraw/zinc/11/35/49/1072113549.db2.gz QRLFSQKYLZTQOP-UHOSZYNNSA-N 2 2 433.557 0.796 20 0 ICADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC001584837195 1072116679 /nfs/dbraw/zinc/11/66/79/1072116679.db2.gz QJEAWIZQANYWEX-UHFFFAOYSA-N 2 2 430.549 0.829 20 0 ICADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC001584837195 1072116673 /nfs/dbraw/zinc/11/66/73/1072116673.db2.gz QJEAWIZQANYWEX-UHFFFAOYSA-N 2 2 430.549 0.829 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)cc21 ZINC001584883964 1072120482 /nfs/dbraw/zinc/12/04/82/1072120482.db2.gz WXPDGRLWPHAZMB-JOCHJYFZSA-N 2 2 431.537 0.649 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)cc21 ZINC001584883964 1072120478 /nfs/dbraw/zinc/12/04/78/1072120478.db2.gz WXPDGRLWPHAZMB-JOCHJYFZSA-N 2 2 431.537 0.649 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)cc21 ZINC001584883968 1072120540 /nfs/dbraw/zinc/12/05/40/1072120540.db2.gz WXPDGRLWPHAZMB-QFIPXVFZSA-N 2 2 431.537 0.649 20 0 ICADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)cc21 ZINC001584883968 1072120538 /nfs/dbraw/zinc/12/05/38/1072120538.db2.gz WXPDGRLWPHAZMB-QFIPXVFZSA-N 2 2 431.537 0.649 20 0 ICADLP CN(C(=O)CNC(=O)c1ccccc1Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049087 1072129315 /nfs/dbraw/zinc/12/93/15/1072129315.db2.gz ABPGACDWAVMTQL-UHFFFAOYSA-N 2 2 449.983 0.767 20 0 ICADLP COc1ccn2c(C(=O)N(C)C3CC[NH+](CC(=O)N4CC[NH+](C)CC4)CC3)cnc2c1 ZINC001585049089 1072129516 /nfs/dbraw/zinc/12/95/16/1072129516.db2.gz ADKBDNLDEVCREQ-UHFFFAOYSA-N 2 2 428.537 0.653 20 0 ICADLP COC(=O)c1ncoc1CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049186 1072129531 /nfs/dbraw/zinc/12/95/31/1072129531.db2.gz DNDLXRWDSCZISX-UHFFFAOYSA-N 2 2 435.525 0.091 20 0 ICADLP CN(C(=O)c1cnn(-c2ccccc2)c1N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049192 1072129561 /nfs/dbraw/zinc/12/95/61/1072129561.db2.gz DTILDUADAZXEFZ-UHFFFAOYSA-N 2 2 439.564 0.765 20 0 ICADLP Cc1nn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c2ncccc12 ZINC001585049248 1072129501 /nfs/dbraw/zinc/12/95/01/1072129501.db2.gz HGCNEXQFCDETMW-UHFFFAOYSA-N 2 2 427.553 0.437 20 0 ICADLP CN(C(=O)c1cccc2c1NC(=O)CO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049264 1072129453 /nfs/dbraw/zinc/12/94/53/1072129453.db2.gz HVESCYUQYWTJJI-UHFFFAOYSA-N 2 2 429.521 0.328 20 0 ICADLP CN(C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049343 1072129590 /nfs/dbraw/zinc/12/95/90/1072129590.db2.gz KMKFUKHLGLAPKD-ZWKOTPCHSA-N 2 2 437.585 0.596 20 0 ICADLP Cc1cn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nc1C(F)(F)F ZINC001585049405 1072129390 /nfs/dbraw/zinc/12/93/90/1072129390.db2.gz LSWFYYSTYYIBGO-UHFFFAOYSA-N 2 2 444.502 0.907 20 0 ICADLP CN(C(=O)[C@@H](Oc1ccccc1)C(C)(C)O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049524 1072130102 /nfs/dbraw/zinc/13/01/02/1072130102.db2.gz NDWBXKRBMCLRFR-JOCHJYFZSA-N 2 2 446.592 0.902 20 0 ICADLP CN(C(=O)[C@H](Oc1ccccc1)C(C)(C)O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049527 1072130127 /nfs/dbraw/zinc/13/01/27/1072130127.db2.gz NDWBXKRBMCLRFR-QFIPXVFZSA-N 2 2 446.592 0.902 20 0 ICADLP CN(C(=O)C[C@H]1COc2ccccc2O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049770 1072130007 /nfs/dbraw/zinc/13/00/07/1072130007.db2.gz RBWVJDRTZDGIGX-IBGZPJMESA-N 2 2 430.549 0.913 20 0 ICADLP CN(C(=O)C[C@@H]1COc2ccccc2O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049772 1072130164 /nfs/dbraw/zinc/13/01/64/1072130164.db2.gz RBWVJDRTZDGIGX-LJQANCHMSA-N 2 2 430.549 0.913 20 0 ICADLP CN(C(=O)c1ccc2c(c1)N(C)C(=O)CO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049862 1072130062 /nfs/dbraw/zinc/13/00/62/1072130062.db2.gz SVZGKFSUJMUEMP-UHFFFAOYSA-N 2 2 443.548 0.352 20 0 ICADLP CNC(=O)Nc1cccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001585050152 1072130087 /nfs/dbraw/zinc/13/00/87/1072130087.db2.gz YITIIUBGLVPETO-UHFFFAOYSA-N 2 2 430.553 0.748 20 0 ICADLP CN(C(=O)c1ccc(Cn2ccnn2)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585050265 1072130178 /nfs/dbraw/zinc/13/01/78/1072130178.db2.gz YYFCZTNEBYRRGY-UHFFFAOYSA-N 2 2 439.564 0.637 20 0 ICADLP C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001585129079 1072134567 /nfs/dbraw/zinc/13/45/67/1072134567.db2.gz PIUILKLUFJHSAX-PBHICJAKSA-N 2 2 432.612 0.260 20 0 ICADLP C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001585129079 1072134562 /nfs/dbraw/zinc/13/45/62/1072134562.db2.gz PIUILKLUFJHSAX-PBHICJAKSA-N 2 2 432.612 0.260 20 0 ICADLP C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001585129080 1072134502 /nfs/dbraw/zinc/13/45/02/1072134502.db2.gz PIUILKLUFJHSAX-RHSMWYFYSA-N 2 2 432.612 0.260 20 0 ICADLP C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001585129080 1072134497 /nfs/dbraw/zinc/13/44/97/1072134497.db2.gz PIUILKLUFJHSAX-RHSMWYFYSA-N 2 2 432.612 0.260 20 0 ICADLP C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001585129081 1072134404 /nfs/dbraw/zinc/13/44/04/1072134404.db2.gz PIUILKLUFJHSAX-WMLDXEAASA-N 2 2 432.612 0.260 20 0 ICADLP C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001585129081 1072134399 /nfs/dbraw/zinc/13/43/99/1072134399.db2.gz PIUILKLUFJHSAX-WMLDXEAASA-N 2 2 432.612 0.260 20 0 ICADLP C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001585129082 1072134446 /nfs/dbraw/zinc/13/44/46/1072134446.db2.gz PIUILKLUFJHSAX-YOEHRIQHSA-N 2 2 432.612 0.260 20 0 ICADLP C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001585129082 1072134444 /nfs/dbraw/zinc/13/44/44/1072134444.db2.gz PIUILKLUFJHSAX-YOEHRIQHSA-N 2 2 432.612 0.260 20 0 ICADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001585212380 1072139378 /nfs/dbraw/zinc/13/93/78/1072139378.db2.gz ZSDYLERMCYKVKF-RTWAWAEBSA-N 2 2 436.597 0.707 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585665905 1072163627 /nfs/dbraw/zinc/16/36/27/1072163627.db2.gz IYTRMXVAFXINCL-CYBMUJFWSA-N 2 2 426.539 0.250 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585665905 1072163622 /nfs/dbraw/zinc/16/36/22/1072163622.db2.gz IYTRMXVAFXINCL-CYBMUJFWSA-N 2 2 426.539 0.250 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585665907 1072164425 /nfs/dbraw/zinc/16/44/25/1072164425.db2.gz IYTRMXVAFXINCL-ZDUSSCGKSA-N 2 2 426.539 0.250 20 0 ICADLP COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585665907 1072164420 /nfs/dbraw/zinc/16/44/20/1072164420.db2.gz IYTRMXVAFXINCL-ZDUSSCGKSA-N 2 2 426.539 0.250 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671246 1072164501 /nfs/dbraw/zinc/16/45/01/1072164501.db2.gz JQWQACPVNUJKMI-CUWPLCDZSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671246 1072164495 /nfs/dbraw/zinc/16/44/95/1072164495.db2.gz JQWQACPVNUJKMI-CUWPLCDZSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671249 1072164155 /nfs/dbraw/zinc/16/41/55/1072164155.db2.gz JQWQACPVNUJKMI-DSKINZAPSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671249 1072164144 /nfs/dbraw/zinc/16/41/44/1072164144.db2.gz JQWQACPVNUJKMI-DSKINZAPSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671251 1072164464 /nfs/dbraw/zinc/16/44/64/1072164464.db2.gz JQWQACPVNUJKMI-FBBABVLZSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671251 1072164455 /nfs/dbraw/zinc/16/44/55/1072164455.db2.gz JQWQACPVNUJKMI-FBBABVLZSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671253 1072164275 /nfs/dbraw/zinc/16/42/75/1072164275.db2.gz JQWQACPVNUJKMI-HFSMHLIXSA-N 2 2 432.540 0.615 20 0 ICADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671253 1072164262 /nfs/dbraw/zinc/16/42/62/1072164262.db2.gz JQWQACPVNUJKMI-HFSMHLIXSA-N 2 2 432.540 0.615 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585743968 1072168453 /nfs/dbraw/zinc/16/84/53/1072168453.db2.gz CDNJFDDYZDCZHX-APWZRJJASA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585743968 1072168444 /nfs/dbraw/zinc/16/84/44/1072168444.db2.gz CDNJFDDYZDCZHX-APWZRJJASA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585743969 1072168638 /nfs/dbraw/zinc/16/86/38/1072168638.db2.gz CDNJFDDYZDCZHX-LPHOPBHVSA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585743969 1072168633 /nfs/dbraw/zinc/16/86/33/1072168633.db2.gz CDNJFDDYZDCZHX-LPHOPBHVSA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585743970 1072168654 /nfs/dbraw/zinc/16/86/54/1072168654.db2.gz CDNJFDDYZDCZHX-QFBILLFUSA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585743970 1072168651 /nfs/dbraw/zinc/16/86/51/1072168651.db2.gz CDNJFDDYZDCZHX-QFBILLFUSA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585743971 1072168406 /nfs/dbraw/zinc/16/84/06/1072168406.db2.gz CDNJFDDYZDCZHX-VQIMIIECSA-N 2 2 433.528 0.426 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585743971 1072168397 /nfs/dbraw/zinc/16/83/97/1072168397.db2.gz CDNJFDDYZDCZHX-VQIMIIECSA-N 2 2 433.528 0.426 20 0 ICADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001585745439 1072168562 /nfs/dbraw/zinc/16/85/62/1072168562.db2.gz UXYDTMLQGHQGRI-HOJAQTOUSA-N 2 2 432.569 0.335 20 0 ICADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001585745439 1072168553 /nfs/dbraw/zinc/16/85/53/1072168553.db2.gz UXYDTMLQGHQGRI-HOJAQTOUSA-N 2 2 432.569 0.335 20 0 ICADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001585745447 1072168602 /nfs/dbraw/zinc/16/86/02/1072168602.db2.gz UXYDTMLQGHQGRI-IHPCNDPISA-N 2 2 432.569 0.335 20 0 ICADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001585745447 1072168597 /nfs/dbraw/zinc/16/85/97/1072168597.db2.gz UXYDTMLQGHQGRI-IHPCNDPISA-N 2 2 432.569 0.335 20 0 ICADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910606 1072177338 /nfs/dbraw/zinc/17/73/38/1072177338.db2.gz HKVLQZCAHNIUOU-NFBKMPQASA-N 2 2 429.565 0.524 20 0 ICADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910606 1072177335 /nfs/dbraw/zinc/17/73/35/1072177335.db2.gz HKVLQZCAHNIUOU-NFBKMPQASA-N 2 2 429.565 0.524 20 0 ICADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910607 1072177427 /nfs/dbraw/zinc/17/74/27/1072177427.db2.gz HKVLQZCAHNIUOU-NZQKXSOJSA-N 2 2 429.565 0.524 20 0 ICADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910607 1072177424 /nfs/dbraw/zinc/17/74/24/1072177424.db2.gz HKVLQZCAHNIUOU-NZQKXSOJSA-N 2 2 429.565 0.524 20 0 ICADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910608 1072177226 /nfs/dbraw/zinc/17/72/26/1072177226.db2.gz HKVLQZCAHNIUOU-OFNKIYASSA-N 2 2 429.565 0.524 20 0 ICADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910608 1072177222 /nfs/dbraw/zinc/17/72/22/1072177222.db2.gz HKVLQZCAHNIUOU-OFNKIYASSA-N 2 2 429.565 0.524 20 0 ICADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910609 1072177396 /nfs/dbraw/zinc/17/73/96/1072177396.db2.gz HKVLQZCAHNIUOU-REWPJTCUSA-N 2 2 429.565 0.524 20 0 ICADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001585910609 1072177393 /nfs/dbraw/zinc/17/73/93/1072177393.db2.gz HKVLQZCAHNIUOU-REWPJTCUSA-N 2 2 429.565 0.524 20 0 ICADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001586754980 1072229572 /nfs/dbraw/zinc/22/95/72/1072229572.db2.gz VWCOEZMTXIHHEI-NFBKMPQASA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001586754980 1072229566 /nfs/dbraw/zinc/22/95/66/1072229566.db2.gz VWCOEZMTXIHHEI-NFBKMPQASA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001586754984 1072229610 /nfs/dbraw/zinc/22/96/10/1072229610.db2.gz VWCOEZMTXIHHEI-NZQKXSOJSA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001586754984 1072229603 /nfs/dbraw/zinc/22/96/03/1072229603.db2.gz VWCOEZMTXIHHEI-NZQKXSOJSA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001586754986 1072229739 /nfs/dbraw/zinc/22/97/39/1072229739.db2.gz VWCOEZMTXIHHEI-OFNKIYASSA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001586754986 1072229728 /nfs/dbraw/zinc/22/97/28/1072229728.db2.gz VWCOEZMTXIHHEI-OFNKIYASSA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001586754988 1072229774 /nfs/dbraw/zinc/22/97/74/1072229774.db2.gz VWCOEZMTXIHHEI-REWPJTCUSA-N 2 2 430.549 0.063 20 0 ICADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001586754988 1072229766 /nfs/dbraw/zinc/22/97/66/1072229766.db2.gz VWCOEZMTXIHHEI-REWPJTCUSA-N 2 2 430.549 0.063 20 0 ICADLP CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)Cc1ccccc1 ZINC001587412330 1072266157 /nfs/dbraw/zinc/26/61/57/1072266157.db2.gz LOZFVIVLYMAQQZ-JOCHJYFZSA-N 2 2 436.553 0.480 20 0 ICADLP CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)Cc1ccccc1 ZINC001587412330 1072266150 /nfs/dbraw/zinc/26/61/50/1072266150.db2.gz LOZFVIVLYMAQQZ-JOCHJYFZSA-N 2 2 436.553 0.480 20 0 ICADLP CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)Cc1ccccc1 ZINC001587412331 1072266314 /nfs/dbraw/zinc/26/63/14/1072266314.db2.gz LOZFVIVLYMAQQZ-QFIPXVFZSA-N 2 2 436.553 0.480 20 0 ICADLP CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)Cc1ccccc1 ZINC001587412331 1072266310 /nfs/dbraw/zinc/26/63/10/1072266310.db2.gz LOZFVIVLYMAQQZ-QFIPXVFZSA-N 2 2 436.553 0.480 20 0 ICADLP CC(C)[NH+]1CCN(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001595485187 1072389915 /nfs/dbraw/zinc/38/99/15/1072389915.db2.gz KMYODSZVDYHPON-JOCHJYFZSA-N 2 2 429.609 0.904 20 0 ICADLP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001595485188 1072390282 /nfs/dbraw/zinc/39/02/82/1072390282.db2.gz KMYODSZVDYHPON-QFIPXVFZSA-N 2 2 429.609 0.904 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC[N@H+]3CCOCC3(C)C)C[C@@H]2C)CC1 ZINC001596267894 1072469066 /nfs/dbraw/zinc/46/90/66/1072469066.db2.gz NWEVDUVVDHLJNJ-FXAWDEMLSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC[N@@H+]3CCOCC3(C)C)C[C@@H]2C)CC1 ZINC001596267894 1072469062 /nfs/dbraw/zinc/46/90/62/1072469062.db2.gz NWEVDUVVDHLJNJ-FXAWDEMLSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC[N@H+]3CCOCC3(C)C)C[C@@H]2C)CC1 ZINC001596267895 1072468969 /nfs/dbraw/zinc/46/89/69/1072468969.db2.gz NWEVDUVVDHLJNJ-PXNSSMCTSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC[N@@H+]3CCOCC3(C)C)C[C@@H]2C)CC1 ZINC001596267895 1072468966 /nfs/dbraw/zinc/46/89/66/1072468966.db2.gz NWEVDUVVDHLJNJ-PXNSSMCTSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC[N@H+]3CCOCC3(C)C)C[C@H]2C)CC1 ZINC001596267896 1072469021 /nfs/dbraw/zinc/46/90/21/1072469021.db2.gz NWEVDUVVDHLJNJ-XLIONFOSSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC[N@@H+]3CCOCC3(C)C)C[C@H]2C)CC1 ZINC001596267896 1072469017 /nfs/dbraw/zinc/46/90/17/1072469017.db2.gz NWEVDUVVDHLJNJ-XLIONFOSSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC[N@H+]3CCOCC3(C)C)C[C@H]2C)CC1 ZINC001596267897 1072469175 /nfs/dbraw/zinc/46/91/75/1072469175.db2.gz NWEVDUVVDHLJNJ-YLJYHZDGSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC[N@@H+]3CCOCC3(C)C)C[C@H]2C)CC1 ZINC001596267897 1072469169 /nfs/dbraw/zinc/46/91/69/1072469169.db2.gz NWEVDUVVDHLJNJ-YLJYHZDGSA-N 2 2 433.601 0.686 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001596267992 1072468982 /nfs/dbraw/zinc/46/89/82/1072468982.db2.gz PZXGWMPPYPTMSM-GHTZIAJQSA-N 2 2 433.601 0.688 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001596267993 1072469042 /nfs/dbraw/zinc/46/90/42/1072469042.db2.gz PZXGWMPPYPTMSM-NQIIRXRSSA-N 2 2 433.601 0.688 20 0 ICADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001596267994 1072469143 /nfs/dbraw/zinc/46/91/43/1072469143.db2.gz PZXGWMPPYPTMSM-RXVVDRJESA-N 2 2 433.601 0.688 20 0 ICADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001596267995 1072468914 /nfs/dbraw/zinc/46/89/14/1072468914.db2.gz PZXGWMPPYPTMSM-WIYYLYMNSA-N 2 2 433.601 0.688 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001596277994 1072471098 /nfs/dbraw/zinc/47/10/98/1072471098.db2.gz UDJXDUMBWLCBQK-BGYRXZFFSA-N 2 2 446.644 0.745 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001596277994 1072471092 /nfs/dbraw/zinc/47/10/92/1072471092.db2.gz UDJXDUMBWLCBQK-BGYRXZFFSA-N 2 2 446.644 0.745 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001596278000 1072471197 /nfs/dbraw/zinc/47/11/97/1072471197.db2.gz UDJXDUMBWLCBQK-PMACEKPBSA-N 2 2 446.644 0.745 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001596278003 1072471251 /nfs/dbraw/zinc/47/12/51/1072471251.db2.gz UDJXDUMBWLCBQK-WOJBJXKFSA-N 2 2 446.644 0.745 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001596282319 1072472191 /nfs/dbraw/zinc/47/21/91/1072472191.db2.gz JDUCGLJSOGKVGE-UHFFFAOYSA-N 2 2 441.584 0.820 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001596288156 1072473637 /nfs/dbraw/zinc/47/36/37/1072473637.db2.gz BXWWZIVDOHHJII-IBGZPJMESA-N 2 2 446.600 0.171 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001596288157 1072473719 /nfs/dbraw/zinc/47/37/19/1072473719.db2.gz BXWWZIVDOHHJII-LJQANCHMSA-N 2 2 446.600 0.171 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001596289687 1072474867 /nfs/dbraw/zinc/47/48/67/1072474867.db2.gz RNZGXFSSFAIFPL-NRFANRHFSA-N 2 2 447.628 0.942 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001596289688 1072474950 /nfs/dbraw/zinc/47/49/50/1072474950.db2.gz RNZGXFSSFAIFPL-OAQYLSRUSA-N 2 2 447.628 0.942 20 0 ICADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001596290214 1072475668 /nfs/dbraw/zinc/47/56/68/1072475668.db2.gz YSHJKIDRUGAVBC-UHFFFAOYSA-N 2 2 447.628 0.942 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001598393272 1072621131 /nfs/dbraw/zinc/62/11/31/1072621131.db2.gz DRUBNFDYLCCXTQ-IBGZPJMESA-N 2 2 449.983 0.989 20 0 ICADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001598393273 1072621268 /nfs/dbraw/zinc/62/12/68/1072621268.db2.gz DRUBNFDYLCCXTQ-LJQANCHMSA-N 2 2 449.983 0.989 20 0 ICADLP COCCn1cc(N2C[C@@H](C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001598393529 1072621238 /nfs/dbraw/zinc/62/12/38/1072621238.db2.gz QBJXCHLIYPXGAE-KRWDZBQOSA-N 2 2 432.569 0.557 20 0 ICADLP COCCn1cc(N2C[C@H](C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001598393530 1072621259 /nfs/dbraw/zinc/62/12/59/1072621259.db2.gz QBJXCHLIYPXGAE-QGZVFWFLSA-N 2 2 432.569 0.557 20 0 ICADLP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001607533262 1072678429 /nfs/dbraw/zinc/67/84/29/1072678429.db2.gz SDBYRFVVLLUOBH-GOSISDBHSA-N 2 2 442.630 0.536 20 0 ICADLP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001607533263 1072678315 /nfs/dbraw/zinc/67/83/15/1072678315.db2.gz SDBYRFVVLLUOBH-SFHVURJKSA-N 2 2 442.630 0.536 20 0 ICADLP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583828 1072680217 /nfs/dbraw/zinc/68/02/17/1072680217.db2.gz YKNBKCISFHADGQ-MOPGFXCFSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583828 1072680211 /nfs/dbraw/zinc/68/02/11/1072680211.db2.gz YKNBKCISFHADGQ-MOPGFXCFSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583831 1072680181 /nfs/dbraw/zinc/68/01/81/1072680181.db2.gz YKNBKCISFHADGQ-OALUTQOASA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583831 1072680176 /nfs/dbraw/zinc/68/01/76/1072680176.db2.gz YKNBKCISFHADGQ-OALUTQOASA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583834 1072680260 /nfs/dbraw/zinc/68/02/60/1072680260.db2.gz YKNBKCISFHADGQ-RBUKOAKNSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583834 1072680257 /nfs/dbraw/zinc/68/02/57/1072680257.db2.gz YKNBKCISFHADGQ-RBUKOAKNSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583836 1072680151 /nfs/dbraw/zinc/68/01/51/1072680151.db2.gz YKNBKCISFHADGQ-RTBURBONSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001607583836 1072680145 /nfs/dbraw/zinc/68/01/45/1072680145.db2.gz YKNBKCISFHADGQ-RTBURBONSA-N 2 2 449.600 0.354 20 0 ICADLP CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001608593083 1072718136 /nfs/dbraw/zinc/71/81/36/1072718136.db2.gz UJGUDBJSXGEWDD-IBGZPJMESA-N 2 2 449.600 0.440 20 0 ICADLP CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001608593084 1072718156 /nfs/dbraw/zinc/71/81/56/1072718156.db2.gz UJGUDBJSXGEWDD-LJQANCHMSA-N 2 2 449.600 0.440 20 0 ICADLP CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001610931858 1072748333 /nfs/dbraw/zinc/74/83/33/1072748333.db2.gz IFFHALIIGBQVGN-BHIYHBOVSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001610931858 1072748329 /nfs/dbraw/zinc/74/83/29/1072748329.db2.gz IFFHALIIGBQVGN-BHIYHBOVSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001610931863 1072748411 /nfs/dbraw/zinc/74/84/11/1072748411.db2.gz IFFHALIIGBQVGN-QRQLOZEOSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001610931863 1072748401 /nfs/dbraw/zinc/74/84/01/1072748401.db2.gz IFFHALIIGBQVGN-QRQLOZEOSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001610931864 1072748380 /nfs/dbraw/zinc/74/83/80/1072748380.db2.gz IFFHALIIGBQVGN-QXAKKESOSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001610931864 1072748372 /nfs/dbraw/zinc/74/83/72/1072748372.db2.gz IFFHALIIGBQVGN-QXAKKESOSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001610931865 1072748263 /nfs/dbraw/zinc/74/82/63/1072748263.db2.gz IFFHALIIGBQVGN-UHOSZYNNSA-N 2 2 429.631 0.698 20 0 ICADLP CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001610931865 1072748258 /nfs/dbraw/zinc/74/82/58/1072748258.db2.gz IFFHALIIGBQVGN-UHOSZYNNSA-N 2 2 429.631 0.698 20 0 ICADLP O=C(CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001611526837 1072782634 /nfs/dbraw/zinc/78/26/34/1072782634.db2.gz DLLBHYJXAAHDKX-UHFFFAOYSA-N 2 2 429.565 0.864 20 0 ICADLP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001611583124 1072787171 /nfs/dbraw/zinc/78/71/71/1072787171.db2.gz FKSBLMFJUVKECK-FGTMMUONSA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001611583126 1072787292 /nfs/dbraw/zinc/78/72/92/1072787292.db2.gz FKSBLMFJUVKECK-KURKYZTESA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001611583128 1072787344 /nfs/dbraw/zinc/78/73/44/1072787344.db2.gz FKSBLMFJUVKECK-KZNAEPCWSA-N 2 2 440.614 0.289 20 0 ICADLP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001611583130 1072787211 /nfs/dbraw/zinc/78/72/11/1072787211.db2.gz FKSBLMFJUVKECK-SQNIBIBYSA-N 2 2 440.614 0.289 20 0 ICADLP Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001612451487 1072890030 /nfs/dbraw/zinc/89/00/30/1072890030.db2.gz XFWULKZVTBCKOE-KRWDZBQOSA-N 2 2 430.557 0.981 20 0 ICADLP Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001612451487 1072890021 /nfs/dbraw/zinc/89/00/21/1072890021.db2.gz XFWULKZVTBCKOE-KRWDZBQOSA-N 2 2 430.557 0.981 20 0 ICADLP Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001612451494 1072889978 /nfs/dbraw/zinc/88/99/78/1072889978.db2.gz XFWULKZVTBCKOE-QGZVFWFLSA-N 2 2 430.557 0.981 20 0 ICADLP Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001612451494 1072889973 /nfs/dbraw/zinc/88/99/73/1072889973.db2.gz XFWULKZVTBCKOE-QGZVFWFLSA-N 2 2 430.557 0.981 20 0 ICADLP Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001612605638 1072910828 /nfs/dbraw/zinc/91/08/28/1072910828.db2.gz UTTFWYPFKLQWOF-JOCHJYFZSA-N 2 2 449.644 0.930 20 0 ICADLP Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001612605638 1072910825 /nfs/dbraw/zinc/91/08/25/1072910825.db2.gz UTTFWYPFKLQWOF-JOCHJYFZSA-N 2 2 449.644 0.930 20 0 ICADLP Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001612605640 1072910862 /nfs/dbraw/zinc/91/08/62/1072910862.db2.gz UTTFWYPFKLQWOF-QFIPXVFZSA-N 2 2 449.644 0.930 20 0 ICADLP Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001612605640 1072910857 /nfs/dbraw/zinc/91/08/57/1072910857.db2.gz UTTFWYPFKLQWOF-QFIPXVFZSA-N 2 2 449.644 0.930 20 0 ICADLP Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001612649720 1072915147 /nfs/dbraw/zinc/91/51/47/1072915147.db2.gz IUIUPJJXZAEPEI-GOSISDBHSA-N 2 2 433.557 0.979 20 0 ICADLP Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001612649723 1072915169 /nfs/dbraw/zinc/91/51/69/1072915169.db2.gz IUIUPJJXZAEPEI-SFHVURJKSA-N 2 2 433.557 0.979 20 0 ICADLP CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613535089 1072976958 /nfs/dbraw/zinc/97/69/58/1072976958.db2.gz YQGPBBJJELRYBH-NRFANRHFSA-N 2 2 437.589 0.032 20 0 ICADLP CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001613535089 1072976952 /nfs/dbraw/zinc/97/69/52/1072976952.db2.gz YQGPBBJJELRYBH-NRFANRHFSA-N 2 2 437.589 0.032 20 0 ICADLP CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613535091 1072977099 /nfs/dbraw/zinc/97/70/99/1072977099.db2.gz YQGPBBJJELRYBH-OAQYLSRUSA-N 2 2 437.589 0.032 20 0 ICADLP CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613535091 1072977095 /nfs/dbraw/zinc/97/70/95/1072977095.db2.gz YQGPBBJJELRYBH-OAQYLSRUSA-N 2 2 437.589 0.032 20 0 ICADLP CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001613945637 1073002512 /nfs/dbraw/zinc/00/25/12/1073002512.db2.gz XEVRRMUFRCKKHK-CTNGQTDRSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001613945638 1073002343 /nfs/dbraw/zinc/00/23/43/1073002343.db2.gz XEVRRMUFRCKKHK-FPOVZHCZSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001613945639 1073002585 /nfs/dbraw/zinc/00/25/85/1073002585.db2.gz XEVRRMUFRCKKHK-PZJWPPBQSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001613945640 1073002486 /nfs/dbraw/zinc/00/24/86/1073002486.db2.gz XEVRRMUFRCKKHK-TZIWHRDSSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2CCC[NH+](CC(=O)N(CC)CC)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001614013291 1073007776 /nfs/dbraw/zinc/00/77/76/1073007776.db2.gz NLXISPWMMCQYEH-IBGZPJMESA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[NH+](CC(=O)N(CC)CC)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001614013291 1073007766 /nfs/dbraw/zinc/00/77/66/1073007766.db2.gz NLXISPWMMCQYEH-IBGZPJMESA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001614013291 1073007751 /nfs/dbraw/zinc/00/77/51/1073007751.db2.gz NLXISPWMMCQYEH-IBGZPJMESA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[NH+]1CCOC[C@@H]1C ZINC001614013291 1073007739 /nfs/dbraw/zinc/00/77/39/1073007739.db2.gz NLXISPWMMCQYEH-IBGZPJMESA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[NH+](CC(=O)N(CC)CC)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001614013292 1073007929 /nfs/dbraw/zinc/00/79/29/1073007929.db2.gz NLXISPWMMCQYEH-LJQANCHMSA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[NH+](CC(=O)N(CC)CC)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001614013292 1073007919 /nfs/dbraw/zinc/00/79/19/1073007919.db2.gz NLXISPWMMCQYEH-LJQANCHMSA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001614013292 1073007908 /nfs/dbraw/zinc/00/79/08/1073007908.db2.gz NLXISPWMMCQYEH-LJQANCHMSA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[NH+]1CCOC[C@H]1C ZINC001614013292 1073007895 /nfs/dbraw/zinc/00/78/95/1073007895.db2.gz NLXISPWMMCQYEH-LJQANCHMSA-N 2 2 435.617 0.942 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614021185 1073011777 /nfs/dbraw/zinc/01/17/77/1073011777.db2.gz CTAFZPMCMMKCPL-PMACEKPBSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614021186 1073011853 /nfs/dbraw/zinc/01/18/53/1073011853.db2.gz CTAFZPMCMMKCPL-UXHICEINSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614021187 1073011974 /nfs/dbraw/zinc/01/19/74/1073011974.db2.gz CTAFZPMCMMKCPL-VQTJNVASSA-N 2 2 447.628 0.942 20 0 ICADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614021188 1073011737 /nfs/dbraw/zinc/01/17/37/1073011737.db2.gz CTAFZPMCMMKCPL-WOJBJXKFSA-N 2 2 447.628 0.942 20 0 ICADLP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001614230002 1073031448 /nfs/dbraw/zinc/03/14/48/1073031448.db2.gz FBEBFMYBPAAFHH-AZUAARDMSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001614230002 1073031443 /nfs/dbraw/zinc/03/14/43/1073031443.db2.gz FBEBFMYBPAAFHH-AZUAARDMSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001614230003 1073031968 /nfs/dbraw/zinc/03/19/68/1073031968.db2.gz FBEBFMYBPAAFHH-ICSRJNTNSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001614230003 1073031959 /nfs/dbraw/zinc/03/19/59/1073031959.db2.gz FBEBFMYBPAAFHH-ICSRJNTNSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001614230004 1073031920 /nfs/dbraw/zinc/03/19/20/1073031920.db2.gz FBEBFMYBPAAFHH-QUCCMNQESA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001614230004 1073031911 /nfs/dbraw/zinc/03/19/11/1073031911.db2.gz FBEBFMYBPAAFHH-QUCCMNQESA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001614230005 1073031616 /nfs/dbraw/zinc/03/16/16/1073031616.db2.gz FBEBFMYBPAAFHH-UYAOXDASSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001614230005 1073031603 /nfs/dbraw/zinc/03/16/03/1073031603.db2.gz FBEBFMYBPAAFHH-UYAOXDASSA-N 2 2 446.600 0.946 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001614235161 1073032441 /nfs/dbraw/zinc/03/24/41/1073032441.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001614235161 1073032430 /nfs/dbraw/zinc/03/24/30/1073032430.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001614235161 1073032421 /nfs/dbraw/zinc/03/24/21/1073032421.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001614235161 1073032410 /nfs/dbraw/zinc/03/24/10/1073032410.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001614235162 1073032309 /nfs/dbraw/zinc/03/23/09/1073032309.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001614235162 1073032299 /nfs/dbraw/zinc/03/22/99/1073032299.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001614235162 1073032288 /nfs/dbraw/zinc/03/22/88/1073032288.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001614235162 1073032283 /nfs/dbraw/zinc/03/22/83/1073032283.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001614235163 1073032564 /nfs/dbraw/zinc/03/25/64/1073032564.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001614235163 1073032552 /nfs/dbraw/zinc/03/25/52/1073032552.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001614235163 1073032542 /nfs/dbraw/zinc/03/25/42/1073032542.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001614235163 1073032533 /nfs/dbraw/zinc/03/25/33/1073032533.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001614235164 1073032647 /nfs/dbraw/zinc/03/26/47/1073032647.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001614235164 1073032637 /nfs/dbraw/zinc/03/26/37/1073032637.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001614235164 1073032629 /nfs/dbraw/zinc/03/26/29/1073032629.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001614235164 1073032619 /nfs/dbraw/zinc/03/26/19/1073032619.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 2 2 449.600 0.497 20 0 ICADLP CC[C@H]1CN(c2nnc(C3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001614236403 1073033750 /nfs/dbraw/zinc/03/37/50/1073033750.db2.gz YGHFPYPLSQSFHN-FQEVSTJZSA-N 2 2 433.601 0.867 20 0 ICADLP CC[C@H]1CN(c2nnc(C3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001614236403 1073033735 /nfs/dbraw/zinc/03/37/35/1073033735.db2.gz YGHFPYPLSQSFHN-FQEVSTJZSA-N 2 2 433.601 0.867 20 0 ICADLP CC[C@@H]1CN(c2nnc(C3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001614236407 1073033696 /nfs/dbraw/zinc/03/36/96/1073033696.db2.gz YGHFPYPLSQSFHN-HXUWFJFHSA-N 2 2 433.601 0.867 20 0 ICADLP CC[C@@H]1CN(c2nnc(C3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001614236407 1073033685 /nfs/dbraw/zinc/03/36/85/1073033685.db2.gz YGHFPYPLSQSFHN-HXUWFJFHSA-N 2 2 433.601 0.867 20 0 ICADLP CCC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001614837945 1073055667 /nfs/dbraw/zinc/05/56/67/1073055667.db2.gz SVFQICBQZXHOBU-IBGZPJMESA-N 2 2 433.601 0.901 20 0 ICADLP CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001614837945 1073055661 /nfs/dbraw/zinc/05/56/61/1073055661.db2.gz SVFQICBQZXHOBU-IBGZPJMESA-N 2 2 433.601 0.901 20 0 ICADLP CCC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001614837946 1073055812 /nfs/dbraw/zinc/05/58/12/1073055812.db2.gz SVFQICBQZXHOBU-LJQANCHMSA-N 2 2 433.601 0.901 20 0 ICADLP CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001614837946 1073055799 /nfs/dbraw/zinc/05/57/99/1073055799.db2.gz SVFQICBQZXHOBU-LJQANCHMSA-N 2 2 433.601 0.901 20 0 ICADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001615417380 1073090554 /nfs/dbraw/zinc/09/05/54/1073090554.db2.gz QHZBCNLNZIXFMS-IBGZPJMESA-N 2 2 447.628 0.942 20 0 ICADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001615417383 1073090651 /nfs/dbraw/zinc/09/06/51/1073090651.db2.gz QHZBCNLNZIXFMS-LJQANCHMSA-N 2 2 447.628 0.942 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCN(C(=O)C[NH+]3CCCC3)CC1)OC2=O ZINC001615422901 1073091212 /nfs/dbraw/zinc/09/12/12/1073091212.db2.gz MXVNIXGNZBDCOC-KRWDZBQOSA-N 2 2 436.553 0.779 20 0 ICADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCN(C(=O)C[NH+]3CCCC3)CC1)OC2=O ZINC001615422903 1073091358 /nfs/dbraw/zinc/09/13/58/1073091358.db2.gz MXVNIXGNZBDCOC-QGZVFWFLSA-N 2 2 436.553 0.779 20 0 ICADLP CN(C(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615447833 1073092518 /nfs/dbraw/zinc/09/25/18/1073092518.db2.gz CIYAUORTVZFOLS-PEPAQOBHSA-N 2 2 428.577 0.776 20 0 ICADLP CN(C(=O)Cc1nn(C)c2ccccc12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615447950 1073092400 /nfs/dbraw/zinc/09/24/00/1073092400.db2.gz GGXQGFDQLYEKMS-UHFFFAOYSA-N 2 2 426.565 0.813 20 0 ICADLP CN(C(=O)c1cccn(C(C)(C)C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615447954 1073092871 /nfs/dbraw/zinc/09/28/71/1073092871.db2.gz GKEMUPCRKIDBMT-UHFFFAOYSA-N 2 2 431.581 0.914 20 0 ICADLP CN(C(=O)c1ccnc(OC(F)F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615447995 1073092548 /nfs/dbraw/zinc/09/25/48/1073092548.db2.gz IBRRUQHPOBGCPX-UHFFFAOYSA-N 2 2 425.480 0.993 20 0 ICADLP C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448287 1073092591 /nfs/dbraw/zinc/09/25/91/1073092591.db2.gz QRRKOLUCNQGTII-HTAPYJJXSA-N 2 2 434.556 0.987 20 0 ICADLP C[C@@H](c1ccccc1F)[C@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448288 1073092951 /nfs/dbraw/zinc/09/29/51/1073092951.db2.gz QRRKOLUCNQGTII-JTSKRJEESA-N 2 2 434.556 0.987 20 0 ICADLP C[C@H](c1ccccc1F)[C@@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448289 1073092679 /nfs/dbraw/zinc/09/26/79/1073092679.db2.gz QRRKOLUCNQGTII-VGOFRKELSA-N 2 2 434.556 0.987 20 0 ICADLP C[C@H](c1ccccc1F)[C@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448290 1073092619 /nfs/dbraw/zinc/09/26/19/1073092619.db2.gz QRRKOLUCNQGTII-VGSWGCGISA-N 2 2 434.556 0.987 20 0 ICADLP CN(C(=O)[C@@]1(C2CCCC2)CCNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448383 1073092814 /nfs/dbraw/zinc/09/28/14/1073092814.db2.gz UVRCCVCUZMDYEY-HSZRJFAPSA-N 2 2 433.597 0.380 20 0 ICADLP CN(C(=O)[C@]1(C2CCCC2)CCNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448384 1073092714 /nfs/dbraw/zinc/09/27/14/1073092714.db2.gz UVRCCVCUZMDYEY-QHCPKHFHSA-N 2 2 433.597 0.380 20 0 ICADLP CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448505 1073093083 /nfs/dbraw/zinc/09/30/83/1073093083.db2.gz XCXBLXNFFXTPMN-GOSISDBHSA-N 2 2 426.558 0.040 20 0 ICADLP CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448506 1073093257 /nfs/dbraw/zinc/09/32/57/1073093257.db2.gz XCXBLXNFFXTPMN-SFHVURJKSA-N 2 2 426.558 0.040 20 0 ICADLP CN(C(=O)COCC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448530 1073093139 /nfs/dbraw/zinc/09/31/39/1073093139.db2.gz YNNAJJRZDDILQO-UHFFFAOYSA-N 2 2 426.558 0.042 20 0 ICADLP CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448534 1073093211 /nfs/dbraw/zinc/09/32/11/1073093211.db2.gz YPLAJGPTEFMQPE-JOCHJYFZSA-N 2 2 440.585 0.430 20 0 ICADLP CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615448535 1073093440 /nfs/dbraw/zinc/09/34/40/1073093440.db2.gz YPLAJGPTEFMQPE-QFIPXVFZSA-N 2 2 440.585 0.430 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001615843150 1073129942 /nfs/dbraw/zinc/12/99/42/1073129942.db2.gz SAYHRCVDRKTVES-GUDVDZBRSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001615843150 1073129940 /nfs/dbraw/zinc/12/99/40/1073129940.db2.gz SAYHRCVDRKTVES-GUDVDZBRSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001615843154 1073129782 /nfs/dbraw/zinc/12/97/82/1073129782.db2.gz SAYHRCVDRKTVES-IPMKNSEASA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001615843154 1073129777 /nfs/dbraw/zinc/12/97/77/1073129777.db2.gz SAYHRCVDRKTVES-IPMKNSEASA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001615843156 1073130045 /nfs/dbraw/zinc/13/00/45/1073130045.db2.gz SAYHRCVDRKTVES-OTWHNJEPSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001615843156 1073130044 /nfs/dbraw/zinc/13/00/44/1073130044.db2.gz SAYHRCVDRKTVES-OTWHNJEPSA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001615843158 1073129965 /nfs/dbraw/zinc/12/99/65/1073129965.db2.gz SAYHRCVDRKTVES-QRVBRYPASA-N 2 2 432.617 0.786 20 0 ICADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001615843158 1073129960 /nfs/dbraw/zinc/12/99/60/1073129960.db2.gz SAYHRCVDRKTVES-QRVBRYPASA-N 2 2 432.617 0.786 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132358 /nfs/dbraw/zinc/13/23/58/1073132358.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132353 /nfs/dbraw/zinc/13/23/53/1073132353.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132346 /nfs/dbraw/zinc/13/23/46/1073132346.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132339 /nfs/dbraw/zinc/13/23/39/1073132339.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132102 /nfs/dbraw/zinc/13/21/02/1073132102.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132099 /nfs/dbraw/zinc/13/20/99/1073132099.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132093 /nfs/dbraw/zinc/13/20/93/1073132093.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132086 /nfs/dbraw/zinc/13/20/86/1073132086.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133163 /nfs/dbraw/zinc/13/31/63/1073133163.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133160 /nfs/dbraw/zinc/13/31/60/1073133160.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133157 /nfs/dbraw/zinc/13/31/57/1073133157.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133154 /nfs/dbraw/zinc/13/31/54/1073133154.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133245 /nfs/dbraw/zinc/13/32/45/1073133245.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 2 2 443.618 0.139 20 0 ICADLP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133242 /nfs/dbraw/zinc/13/32/42/1073133242.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133238 /nfs/dbraw/zinc/13/32/38/1073133238.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 2 2 443.618 0.139 20 0 ICADLP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133235 /nfs/dbraw/zinc/13/32/35/1073133235.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 2 2 443.618 0.139 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873241 1073135806 /nfs/dbraw/zinc/13/58/06/1073135806.db2.gz RXVFPVYRULTIBZ-MOPGFXCFSA-N 2 2 432.617 0.680 20 0 ICADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873243 1073136089 /nfs/dbraw/zinc/13/60/89/1073136089.db2.gz RXVFPVYRULTIBZ-OALUTQOASA-N 2 2 432.617 0.680 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873244 1073136147 /nfs/dbraw/zinc/13/61/47/1073136147.db2.gz RXVFPVYRULTIBZ-RBUKOAKNSA-N 2 2 432.617 0.680 20 0 ICADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873246 1073135744 /nfs/dbraw/zinc/13/57/44/1073135744.db2.gz RXVFPVYRULTIBZ-RTBURBONSA-N 2 2 432.617 0.680 20 0 ICADLP CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889581 1073141228 /nfs/dbraw/zinc/14/12/28/1073141228.db2.gz SGTJAZTVKOXJON-DENIHFKCSA-N 2 2 446.644 0.603 20 0 ICADLP CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889582 1073141181 /nfs/dbraw/zinc/14/11/81/1073141181.db2.gz SGTJAZTVKOXJON-KNQAVFIVSA-N 2 2 446.644 0.603 20 0 ICADLP CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889583 1073140973 /nfs/dbraw/zinc/14/09/73/1073140973.db2.gz SGTJAZTVKOXJON-SIKLNZKXSA-N 2 2 446.644 0.603 20 0 ICADLP CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001615889584 1073141043 /nfs/dbraw/zinc/14/10/43/1073141043.db2.gz SGTJAZTVKOXJON-UGKGYDQZSA-N 2 2 446.644 0.603 20 0 ICADLP CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001615892845 1073141536 /nfs/dbraw/zinc/14/15/36/1073141536.db2.gz IAKDTCRJNBCKNC-IBGZPJMESA-N 2 2 448.616 0.025 20 0 ICADLP CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001615892846 1073141602 /nfs/dbraw/zinc/14/16/02/1073141602.db2.gz IAKDTCRJNBCKNC-LJQANCHMSA-N 2 2 448.616 0.025 20 0 ICADLP CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001615894696 1073142834 /nfs/dbraw/zinc/14/28/34/1073142834.db2.gz AVKMUVMZTLJFHO-UHFFFAOYSA-N 2 2 446.644 0.959 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001616906571 1073236090 /nfs/dbraw/zinc/23/60/90/1073236090.db2.gz DKIONUFQQCNFGL-AVRDEDQJSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001616906571 1073236085 /nfs/dbraw/zinc/23/60/85/1073236085.db2.gz DKIONUFQQCNFGL-AVRDEDQJSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001616906574 1073236310 /nfs/dbraw/zinc/23/63/10/1073236310.db2.gz DKIONUFQQCNFGL-GCJKJVERSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001616906574 1073236304 /nfs/dbraw/zinc/23/63/04/1073236304.db2.gz DKIONUFQQCNFGL-GCJKJVERSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001616906575 1073236159 /nfs/dbraw/zinc/23/61/59/1073236159.db2.gz DKIONUFQQCNFGL-PGRDOPGGSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001616906575 1073236153 /nfs/dbraw/zinc/23/61/53/1073236153.db2.gz DKIONUFQQCNFGL-PGRDOPGGSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001616906584 1073236277 /nfs/dbraw/zinc/23/62/77/1073236277.db2.gz DKIONUFQQCNFGL-XMSQKQJNSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001616906584 1073236268 /nfs/dbraw/zinc/23/62/68/1073236268.db2.gz DKIONUFQQCNFGL-XMSQKQJNSA-N 2 2 449.600 0.014 20 0 ICADLP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616926364 1073238780 /nfs/dbraw/zinc/23/87/80/1073238780.db2.gz JHPGMBMMTPAWIY-UHFFFAOYSA-N 2 2 449.600 0.280 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993049 1073246613 /nfs/dbraw/zinc/24/66/13/1073246613.db2.gz MADRPDHDRRUXSK-APWZRJJASA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993049 1073246610 /nfs/dbraw/zinc/24/66/10/1073246610.db2.gz MADRPDHDRRUXSK-APWZRJJASA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993050 1073246548 /nfs/dbraw/zinc/24/65/48/1073246548.db2.gz MADRPDHDRRUXSK-LPHOPBHVSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993050 1073246542 /nfs/dbraw/zinc/24/65/42/1073246542.db2.gz MADRPDHDRRUXSK-LPHOPBHVSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993051 1073246665 /nfs/dbraw/zinc/24/66/65/1073246665.db2.gz MADRPDHDRRUXSK-QFBILLFUSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993051 1073246662 /nfs/dbraw/zinc/24/66/62/1073246662.db2.gz MADRPDHDRRUXSK-QFBILLFUSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993052 1073246634 /nfs/dbraw/zinc/24/66/34/1073246634.db2.gz MADRPDHDRRUXSK-VQIMIIECSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993052 1073246629 /nfs/dbraw/zinc/24/66/29/1073246629.db2.gz MADRPDHDRRUXSK-VQIMIIECSA-N 2 2 449.983 0.941 20 0 ICADLP CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993787 1073246586 /nfs/dbraw/zinc/24/65/86/1073246586.db2.gz QYNZCIDLRDMMFZ-HNNXBMFYSA-N 2 2 427.546 0.512 20 0 ICADLP CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993787 1073246574 /nfs/dbraw/zinc/24/65/74/1073246574.db2.gz QYNZCIDLRDMMFZ-HNNXBMFYSA-N 2 2 427.546 0.512 20 0 ICADLP CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001616993789 1073246471 /nfs/dbraw/zinc/24/64/71/1073246471.db2.gz QYNZCIDLRDMMFZ-OAHLLOKOSA-N 2 2 427.546 0.512 20 0 ICADLP CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001616993789 1073246465 /nfs/dbraw/zinc/24/64/65/1073246465.db2.gz QYNZCIDLRDMMFZ-OAHLLOKOSA-N 2 2 427.546 0.512 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001617211252 1073259634 /nfs/dbraw/zinc/25/96/34/1073259634.db2.gz BVEOBBWVSFSDFT-UHFFFAOYSA-N 2 2 431.585 0.935 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001617211252 1073259623 /nfs/dbraw/zinc/25/96/23/1073259623.db2.gz BVEOBBWVSFSDFT-UHFFFAOYSA-N 2 2 431.585 0.935 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001617221997 1073260700 /nfs/dbraw/zinc/26/07/00/1073260700.db2.gz CQUWVNCQUSHANM-UHFFFAOYSA-N 2 2 446.600 0.948 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001617221997 1073260691 /nfs/dbraw/zinc/26/06/91/1073260691.db2.gz CQUWVNCQUSHANM-UHFFFAOYSA-N 2 2 446.600 0.948 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001617223685 1073261447 /nfs/dbraw/zinc/26/14/47/1073261447.db2.gz ZWTSCTQVKHDMET-MSOLQXFVSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001617223685 1073261435 /nfs/dbraw/zinc/26/14/35/1073261435.db2.gz ZWTSCTQVKHDMET-MSOLQXFVSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001617223686 1073261594 /nfs/dbraw/zinc/26/15/94/1073261594.db2.gz ZWTSCTQVKHDMET-QZTJIDSGSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001617223686 1073261578 /nfs/dbraw/zinc/26/15/78/1073261578.db2.gz ZWTSCTQVKHDMET-QZTJIDSGSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001617223687 1073261753 /nfs/dbraw/zinc/26/17/53/1073261753.db2.gz ZWTSCTQVKHDMET-ROUUACIJSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001617223687 1073261750 /nfs/dbraw/zinc/26/17/50/1073261750.db2.gz ZWTSCTQVKHDMET-ROUUACIJSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001617223688 1073261368 /nfs/dbraw/zinc/26/13/68/1073261368.db2.gz ZWTSCTQVKHDMET-ZWKOTPCHSA-N 2 2 435.573 0.108 20 0 ICADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001617223688 1073261362 /nfs/dbraw/zinc/26/13/62/1073261362.db2.gz ZWTSCTQVKHDMET-ZWKOTPCHSA-N 2 2 435.573 0.108 20 0 ICADLP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC001617813157 1073343472 /nfs/dbraw/zinc/34/34/72/1073343472.db2.gz CKDXVJVUOZCZHG-UHFFFAOYSA-N 2 2 431.562 0.897 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001618302272 1073373124 /nfs/dbraw/zinc/37/31/24/1073373124.db2.gz FLTRHEUCOUKTEH-UHFFFAOYSA-N 2 2 432.573 0.558 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001618304521 1073373942 /nfs/dbraw/zinc/37/39/42/1073373942.db2.gz YXMIZDHMWNVJBB-DLBZAZTESA-N 2 2 431.541 0.894 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001618304529 1073374039 /nfs/dbraw/zinc/37/40/39/1073374039.db2.gz YXMIZDHMWNVJBB-IAGOWNOFSA-N 2 2 431.541 0.894 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001618304530 1073374102 /nfs/dbraw/zinc/37/41/02/1073374102.db2.gz YXMIZDHMWNVJBB-IRXDYDNUSA-N 2 2 431.541 0.894 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001618304531 1073373853 /nfs/dbraw/zinc/37/38/53/1073373853.db2.gz YXMIZDHMWNVJBB-SJORKVTESA-N 2 2 431.541 0.894 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618467832 1073394954 /nfs/dbraw/zinc/39/49/54/1073394954.db2.gz XGPXTEOHIOATHZ-HSZRJFAPSA-N 2 2 444.580 0.735 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618467832 1073394936 /nfs/dbraw/zinc/39/49/36/1073394936.db2.gz XGPXTEOHIOATHZ-HSZRJFAPSA-N 2 2 444.580 0.735 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618467841 1073395181 /nfs/dbraw/zinc/39/51/81/1073395181.db2.gz XGPXTEOHIOATHZ-QHCPKHFHSA-N 2 2 444.580 0.735 20 0 ICADLP CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618467841 1073395169 /nfs/dbraw/zinc/39/51/69/1073395169.db2.gz XGPXTEOHIOATHZ-QHCPKHFHSA-N 2 2 444.580 0.735 20 0 ICADLP C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001618476205 1073399346 /nfs/dbraw/zinc/39/93/46/1073399346.db2.gz PRZKWWWMOUOUHB-HNNXBMFYSA-N 2 2 441.623 0.389 20 0 ICADLP C[NH+](C)CCSc1nc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001618476207 1073399218 /nfs/dbraw/zinc/39/92/18/1073399218.db2.gz PRZKWWWMOUOUHB-OAHLLOKOSA-N 2 2 441.623 0.389 20 0 ICADLP COC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+](C)C1 ZINC001618606682 1073437903 /nfs/dbraw/zinc/43/79/03/1073437903.db2.gz KZFRCPUZRRZOJQ-FQEVSTJZSA-N 2 2 430.549 0.302 20 0 ICADLP COC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@H+](C)C1 ZINC001618606682 1073437900 /nfs/dbraw/zinc/43/79/00/1073437900.db2.gz KZFRCPUZRRZOJQ-FQEVSTJZSA-N 2 2 430.549 0.302 20 0 ICADLP COC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+](C)C1 ZINC001618606684 1073438034 /nfs/dbraw/zinc/43/80/34/1073438034.db2.gz KZFRCPUZRRZOJQ-HXUWFJFHSA-N 2 2 430.549 0.302 20 0 ICADLP COC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@H+](C)C1 ZINC001618606684 1073438032 /nfs/dbraw/zinc/43/80/32/1073438032.db2.gz KZFRCPUZRRZOJQ-HXUWFJFHSA-N 2 2 430.549 0.302 20 0 ICADLP CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1(CO)CC=CC1 ZINC001618777795 1073496278 /nfs/dbraw/zinc/49/62/78/1073496278.db2.gz MKDXLWCAIVQZSZ-IBGZPJMESA-N 2 2 427.553 0.955 20 0 ICADLP CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1(CO)CC=CC1 ZINC001618777796 1073496336 /nfs/dbraw/zinc/49/63/36/1073496336.db2.gz MKDXLWCAIVQZSZ-LJQANCHMSA-N 2 2 427.553 0.955 20 0 ICADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC001620462748 1072035641 /nfs/dbraw/zinc/03/56/41/1072035641.db2.gz LENMODRUHLWWQM-UHFFFAOYSA-N 2 2 437.566 0.484 20 0 ICADLP O=S(=O)(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCN(c2ccccn2)CC1 ZINC001620725005 1072038940 /nfs/dbraw/zinc/03/89/40/1072038940.db2.gz SESQMAWQUGLNOK-UHFFFAOYSA-N 2 2 427.534 0.904 20 0 ICADLP O=S(=O)(CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)N1CCSCC1 ZINC001620774279 1072035209 /nfs/dbraw/zinc/03/52/09/1072035209.db2.gz XEXIRJQUMBGNLO-UHFFFAOYSA-N 2 2 429.608 0.866 20 0 ICADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1C ZINC001620914868 1072358668 /nfs/dbraw/zinc/35/86/68/1072358668.db2.gz IZMCKFHUIQOZGF-INIZCTEOSA-N 2 2 428.537 0.748 20 0 ICADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1C ZINC001620914869 1072359194 /nfs/dbraw/zinc/35/91/94/1072359194.db2.gz IZMCKFHUIQOZGF-MRXNPFEDSA-N 2 2 428.537 0.748 20 0 ICADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC3)CC1 ZINC001620915028 1072359186 /nfs/dbraw/zinc/35/91/86/1072359186.db2.gz OMLHUYMBLJNNGH-KRWDZBQOSA-N 2 2 446.577 0.270 20 0 ICADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC3)CC1 ZINC001620915029 1072359099 /nfs/dbraw/zinc/35/90/99/1072359099.db2.gz OMLHUYMBLJNNGH-QGZVFWFLSA-N 2 2 446.577 0.270 20 0 ICADLP