smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001360092549 1064962069 /nfs/dbraw/zinc/96/20/69/1064962069.db2.gz JMYGFZISYOUREC-UHFFFAOYSA-N 2 2 467.637 4.505 20 0 JJADLP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001360092549 1064962082 /nfs/dbraw/zinc/96/20/82/1064962082.db2.gz JMYGFZISYOUREC-UHFFFAOYSA-N 2 2 467.637 4.505 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865431 1065033465 /nfs/dbraw/zinc/03/34/65/1065033465.db2.gz MJDZDYGIRDCFGK-LOSJGSFVSA-N 2 2 455.046 4.811 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865431 1065033480 /nfs/dbraw/zinc/03/34/80/1065033480.db2.gz MJDZDYGIRDCFGK-LOSJGSFVSA-N 2 2 455.046 4.811 20 0 JJADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001443432349 1066310935 /nfs/dbraw/zinc/31/09/35/1066310935.db2.gz WOXNXLCRKFMGQF-UHFFFAOYSA-N 2 2 456.700 4.664 20 0 JJADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001443432349 1066310949 /nfs/dbraw/zinc/31/09/49/1066310949.db2.gz WOXNXLCRKFMGQF-UHFFFAOYSA-N 2 2 456.700 4.664 20 0 JJADLP CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443781889 1066367409 /nfs/dbraw/zinc/36/74/09/1066367409.db2.gz RWPTZYDMRFKINO-QFIPXVFZSA-N 2 2 457.703 4.547 20 0 JJADLP CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443781889 1066367427 /nfs/dbraw/zinc/36/74/27/1066367427.db2.gz RWPTZYDMRFKINO-QFIPXVFZSA-N 2 2 457.703 4.547 20 0 JJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585732 1066723925 /nfs/dbraw/zinc/72/39/25/1066723925.db2.gz RABJHFIPOAHHLX-DNQXCXABSA-N 2 2 452.549 4.515 20 0 JJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585732 1066723935 /nfs/dbraw/zinc/72/39/35/1066723935.db2.gz RABJHFIPOAHHLX-DNQXCXABSA-N 2 2 452.549 4.515 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447304918 1066790010 /nfs/dbraw/zinc/79/00/10/1066790010.db2.gz GSUACKMUXNPNPG-ZSQFBXSQSA-N 2 2 450.671 4.701 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447304918 1066790023 /nfs/dbraw/zinc/79/00/23/1066790023.db2.gz GSUACKMUXNPNPG-ZSQFBXSQSA-N 2 2 450.671 4.701 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731968 1066992815 /nfs/dbraw/zinc/99/28/15/1066992815.db2.gz VSJSNBRKSCFLEJ-WMTXJRDZSA-N 2 2 461.658 4.636 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731968 1066992826 /nfs/dbraw/zinc/99/28/26/1066992826.db2.gz VSJSNBRKSCFLEJ-WMTXJRDZSA-N 2 2 461.658 4.636 20 0 JJADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875663 1067182427 /nfs/dbraw/zinc/18/24/27/1067182427.db2.gz LFKGUBOUDLJVDR-SXSPYAJSSA-N 2 2 453.593 4.995 20 0 JJADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875663 1067182433 /nfs/dbraw/zinc/18/24/33/1067182433.db2.gz LFKGUBOUDLJVDR-SXSPYAJSSA-N 2 2 453.593 4.995 20 0 JJADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001459428570 1067323629 /nfs/dbraw/zinc/32/36/29/1067323629.db2.gz QKJGHSNSROHDLJ-UHFFFAOYSA-N 2 2 452.599 4.732 20 0 JJADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001459428570 1067323639 /nfs/dbraw/zinc/32/36/39/1067323639.db2.gz QKJGHSNSROHDLJ-UHFFFAOYSA-N 2 2 452.599 4.732 20 0 JJADLP Brc1cnc([C@@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771803 1067720699 /nfs/dbraw/zinc/72/06/99/1067720699.db2.gz NKVPJLLOTHRKKS-JOCHJYFZSA-N 2 2 457.460 4.763 20 0 JJADLP Brc1cnc([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771803 1067720709 /nfs/dbraw/zinc/72/07/09/1067720709.db2.gz NKVPJLLOTHRKKS-JOCHJYFZSA-N 2 2 457.460 4.763 20 0 JJADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461031638 1067765966 /nfs/dbraw/zinc/76/59/66/1067765966.db2.gz ZCYXXNMWESGOJU-UHFFFAOYSA-N 2 2 457.487 4.917 20 0 JJADLP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001461577083 1067892792 /nfs/dbraw/zinc/89/27/92/1067892792.db2.gz BHAMYKZHVOPANH-RBBKRZOGSA-N 2 2 478.946 4.735 20 0 JJADLP C[C@](CO)([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643800 1067908491 /nfs/dbraw/zinc/90/84/91/1067908491.db2.gz OYMVLVJXDAKHEW-OAQYLSRUSA-N 2 2 453.892 4.632 20 0 JJADLP C[C@@](CO)([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643798 1067908615 /nfs/dbraw/zinc/90/86/15/1067908615.db2.gz OYMVLVJXDAKHEW-NRFANRHFSA-N 2 2 453.892 4.632 20 0 JJADLP CC(C)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461751794 1067930641 /nfs/dbraw/zinc/93/06/41/1067930641.db2.gz JDCXOOJQBZAHDH-UHFFFAOYSA-N 2 2 453.627 4.816 20 0 JJADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462026204 1067984138 /nfs/dbraw/zinc/98/41/38/1067984138.db2.gz ZPGRXBBEGYPTHT-QFIPXVFZSA-N 2 2 456.631 4.821 20 0 JJADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462026204 1067984145 /nfs/dbraw/zinc/98/41/45/1067984145.db2.gz ZPGRXBBEGYPTHT-QFIPXVFZSA-N 2 2 456.631 4.821 20 0 JJADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164659951 719351419 /nfs/dbraw/zinc/35/14/19/719351419.db2.gz SVTVWOMZSXTXHH-UHFFFAOYSA-N 2 2 483.616 4.947 20 0 JJADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164659951 719351422 /nfs/dbraw/zinc/35/14/22/719351422.db2.gz SVTVWOMZSXTXHH-UHFFFAOYSA-N 2 2 483.616 4.947 20 0 JJADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164659560 719354703 /nfs/dbraw/zinc/35/47/03/719354703.db2.gz QTNCXKDFIBMLOI-UHFFFAOYSA-N 2 2 483.616 4.947 20 0 JJADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164659560 719354708 /nfs/dbraw/zinc/35/47/08/719354708.db2.gz QTNCXKDFIBMLOI-UHFFFAOYSA-N 2 2 483.616 4.947 20 0 JJADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699059 719893414 /nfs/dbraw/zinc/89/34/14/719893414.db2.gz WNJKBLVRNMQISO-UHFFFAOYSA-N 2 2 477.609 4.552 20 0 JJADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699059 719893416 /nfs/dbraw/zinc/89/34/16/719893416.db2.gz WNJKBLVRNMQISO-UHFFFAOYSA-N 2 2 477.609 4.552 20 0 JJADLP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731520 720439513 /nfs/dbraw/zinc/43/95/13/720439513.db2.gz LKWVYERWTGUIKD-GOTSBHOMSA-N 2 2 488.705 4.804 20 0 JJADLP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731520 720439524 /nfs/dbraw/zinc/43/95/24/720439524.db2.gz LKWVYERWTGUIKD-GOTSBHOMSA-N 2 2 488.705 4.804 20 0 JJADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731522 720440449 /nfs/dbraw/zinc/44/04/49/720440449.db2.gz LKWVYERWTGUIKD-XZOQPEGZSA-N 2 2 488.705 4.804 20 0 JJADLP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731522 720440463 /nfs/dbraw/zinc/44/04/63/720440463.db2.gz LKWVYERWTGUIKD-XZOQPEGZSA-N 2 2 488.705 4.804 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757176 720890571 /nfs/dbraw/zinc/89/05/71/720890571.db2.gz UCLRIZVQUXRIMI-GIGWZHCTSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757176 720890575 /nfs/dbraw/zinc/89/05/75/720890575.db2.gz UCLRIZVQUXRIMI-GIGWZHCTSA-N 2 2 472.633 4.702 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749092 720934980 /nfs/dbraw/zinc/93/49/80/720934980.db2.gz HROGDUJBBKXPJQ-QDPGVEIFSA-N 2 2 476.596 4.533 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749092 720934988 /nfs/dbraw/zinc/93/49/88/720934988.db2.gz HROGDUJBBKXPJQ-QDPGVEIFSA-N 2 2 476.596 4.533 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857146 721002857 /nfs/dbraw/zinc/00/28/57/721002857.db2.gz CNCAYEOCAGGRBL-NRFANRHFSA-N 2 2 457.626 4.714 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857146 721002864 /nfs/dbraw/zinc/00/28/64/721002864.db2.gz CNCAYEOCAGGRBL-NRFANRHFSA-N 2 2 457.626 4.714 20 0 JJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001165020498 721841678 /nfs/dbraw/zinc/84/16/78/721841678.db2.gz FFLZOQZSRKBTLP-UHFFFAOYSA-N 2 2 471.605 4.598 20 0 JJADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)CC3)C2)cc1 ZINC001164940587 721927306 /nfs/dbraw/zinc/92/73/06/721927306.db2.gz ULVMMBWEFJVFEB-UHFFFAOYSA-N 2 2 485.607 4.799 20 0 JJADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)CC3)C2)cc1 ZINC001164940587 721927308 /nfs/dbraw/zinc/92/73/08/721927308.db2.gz ULVMMBWEFJVFEB-UHFFFAOYSA-N 2 2 485.607 4.799 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359861491 1064552382 /nfs/dbraw/zinc/55/23/82/1064552382.db2.gz XLGPXFAURIOUEY-QHCPKHFHSA-N 2 2 473.109 4.573 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359861491 1064552397 /nfs/dbraw/zinc/55/23/97/1064552397.db2.gz XLGPXFAURIOUEY-QHCPKHFHSA-N 2 2 473.109 4.573 20 0 JJADLP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614047 1064877631 /nfs/dbraw/zinc/87/76/31/1064877631.db2.gz RCIMQFNLEAYYQZ-LADGPHEKSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001435614047 1064877644 /nfs/dbraw/zinc/87/76/44/1064877644.db2.gz RCIMQFNLEAYYQZ-LADGPHEKSA-N 2 2 452.002 4.533 20 0 JJADLP CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881475 1066380466 /nfs/dbraw/zinc/38/04/66/1066380466.db2.gz KFPRDNMLJFTXAR-QHCPKHFHSA-N 2 2 458.021 4.862 20 0 JJADLP CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881475 1066380474 /nfs/dbraw/zinc/38/04/74/1066380474.db2.gz KFPRDNMLJFTXAR-QHCPKHFHSA-N 2 2 458.021 4.862 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731966 1066992674 /nfs/dbraw/zinc/99/26/74/1066992674.db2.gz VSJSNBRKSCFLEJ-AOHZBQACSA-N 2 2 461.658 4.636 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731966 1066992684 /nfs/dbraw/zinc/99/26/84/1066992684.db2.gz VSJSNBRKSCFLEJ-AOHZBQACSA-N 2 2 461.658 4.636 20 0 JJADLP CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743889 1067010559 /nfs/dbraw/zinc/01/05/59/1067010559.db2.gz SLNYTXSCZGOBSA-ZJSXRUAMSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743889 1067010567 /nfs/dbraw/zinc/01/05/67/1067010567.db2.gz SLNYTXSCZGOBSA-ZJSXRUAMSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545758536 1067038393 /nfs/dbraw/zinc/03/83/93/1067038393.db2.gz IVUJVUVIQHXWAD-RUZDIDTESA-N 2 2 489.712 4.888 20 0 JJADLP CC[C@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001451028402 1067140828 /nfs/dbraw/zinc/14/08/28/1067140828.db2.gz FVYBKKLXZZKCKX-ZONZVBGPSA-N 2 2 455.687 4.559 20 0 JJADLP CC[C@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001451028402 1067140830 /nfs/dbraw/zinc/14/08/30/1067140830.db2.gz FVYBKKLXZZKCKX-ZONZVBGPSA-N 2 2 455.687 4.559 20 0 JJADLP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)c1 ZINC001459809010 1067432342 /nfs/dbraw/zinc/43/23/42/1067432342.db2.gz WJBUYOZPQPNMJK-UHFFFAOYSA-N 2 2 451.611 4.550 20 0 JJADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)s2)cc1 ZINC001459899861 1067479689 /nfs/dbraw/zinc/47/96/89/1067479689.db2.gz HYOCGBCOBJFWDO-HXUWFJFHSA-N 2 2 450.652 4.990 20 0 JJADLP Brc1cnc([C@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771804 1067720604 /nfs/dbraw/zinc/72/06/04/1067720604.db2.gz NKVPJLLOTHRKKS-QFIPXVFZSA-N 2 2 457.460 4.763 20 0 JJADLP Brc1cnc([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771804 1067720610 /nfs/dbraw/zinc/72/06/10/1067720610.db2.gz NKVPJLLOTHRKKS-QFIPXVFZSA-N 2 2 457.460 4.763 20 0 JJADLP Clc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC001461065958 1067774744 /nfs/dbraw/zinc/77/47/44/1067774744.db2.gz XDPAKBBCFKFVMP-UHFFFAOYSA-N 2 2 450.852 4.790 20 0 JJADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461102226 1067782473 /nfs/dbraw/zinc/78/24/73/1067782473.db2.gz VLCZTQIPYZGFJK-UHFFFAOYSA-N 2 2 453.410 4.517 20 0 JJADLP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001461162650 1067791337 /nfs/dbraw/zinc/79/13/37/1067791337.db2.gz WKAKXTGEVJPPDP-UHFFFAOYSA-N 2 2 459.034 4.989 20 0 JJADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001464490471 1068764438 /nfs/dbraw/zinc/76/44/38/1068764438.db2.gz DNRBSMMMEZIIIU-KRWDZBQOSA-N 2 2 451.320 4.664 20 0 JJADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ccccc4)cc[nH+]3)CC2)c2ccccc21 ZINC001164681754 719662621 /nfs/dbraw/zinc/66/26/21/719662621.db2.gz QPEPYQOSDNQAOF-VWLOTQADSA-N 2 2 468.645 4.842 20 0 JJADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+]ccc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680040 719664446 /nfs/dbraw/zinc/66/44/46/719664446.db2.gz CVZDUPKJCBEJQM-OAQYLSRUSA-N 2 2 477.052 4.982 20 0 JJADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164696198 719893805 /nfs/dbraw/zinc/89/38/05/719893805.db2.gz BIWYTJDQTOCTEP-UHFFFAOYSA-N 2 2 477.609 4.552 20 0 JJADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164696198 719893806 /nfs/dbraw/zinc/89/38/06/719893806.db2.gz BIWYTJDQTOCTEP-UHFFFAOYSA-N 2 2 477.609 4.552 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH+]c2C)cc1 ZINC001164696217 719896719 /nfs/dbraw/zinc/89/67/19/719896719.db2.gz CJNHUKQLEHAQFC-UHFFFAOYSA-N 2 2 477.630 4.777 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]c2C)cc1 ZINC001164696217 719896720 /nfs/dbraw/zinc/89/67/20/719896720.db2.gz CJNHUKQLEHAQFC-UHFFFAOYSA-N 2 2 477.630 4.777 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732425 720440193 /nfs/dbraw/zinc/44/01/93/720440193.db2.gz NHMOEJSFVWQWNN-VXKWHMMOSA-N 2 2 462.667 4.542 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732425 720440199 /nfs/dbraw/zinc/44/01/99/720440199.db2.gz NHMOEJSFVWQWNN-VXKWHMMOSA-N 2 2 462.667 4.542 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164754657 720938660 /nfs/dbraw/zinc/93/86/60/720938660.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164754657 720938674 /nfs/dbraw/zinc/93/86/74/720938674.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754657 720938688 /nfs/dbraw/zinc/93/86/88/720938688.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754657 720938699 /nfs/dbraw/zinc/93/86/99/720938699.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 2 2 455.046 4.616 20 0 JJADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)[nH+]c(C)n3)C2)C1 ZINC001164781606 721363732 /nfs/dbraw/zinc/36/37/32/721363732.db2.gz KBYYXASPIYEQPC-AREMUKBSSA-N 2 2 453.631 4.557 20 0 JJADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)[nH+]c(C)n3)C2)C1 ZINC001164781606 721363742 /nfs/dbraw/zinc/36/37/42/721363742.db2.gz KBYYXASPIYEQPC-AREMUKBSSA-N 2 2 453.631 4.557 20 0 JJADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164910935 721756010 /nfs/dbraw/zinc/75/60/10/721756010.db2.gz UROXRZGQYBQOOQ-UHFFFAOYSA-N 2 2 452.002 4.514 20 0 JJADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164910935 721756019 /nfs/dbraw/zinc/75/60/19/721756019.db2.gz UROXRZGQYBQOOQ-UHFFFAOYSA-N 2 2 452.002 4.514 20 0 JJADLP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001360008629 1064797906 /nfs/dbraw/zinc/79/79/06/1064797906.db2.gz UVRCZRIHVPRKAR-HSZRJFAPSA-N 2 2 473.109 4.745 20 0 JJADLP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001360008629 1064797919 /nfs/dbraw/zinc/79/79/19/1064797919.db2.gz UVRCZRIHVPRKAR-HSZRJFAPSA-N 2 2 473.109 4.745 20 0 JJADLP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614049 1064877326 /nfs/dbraw/zinc/87/73/26/1064877326.db2.gz RCIMQFNLEAYYQZ-VWNXMTODSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001435614049 1064877345 /nfs/dbraw/zinc/87/73/45/1064877345.db2.gz RCIMQFNLEAYYQZ-VWNXMTODSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864875 1065032341 /nfs/dbraw/zinc/03/23/41/1065032341.db2.gz GWPITCHMPOMTIS-PKTZIBPZSA-N 2 2 454.684 4.836 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864875 1065032356 /nfs/dbraw/zinc/03/23/56/1065032356.db2.gz GWPITCHMPOMTIS-PKTZIBPZSA-N 2 2 454.684 4.836 20 0 JJADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001360881534 1066034481 /nfs/dbraw/zinc/03/44/81/1066034481.db2.gz UFHUEOVNUGDPEC-UFHPHHKVSA-N 2 2 462.682 4.632 20 0 JJADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001360881534 1066034491 /nfs/dbraw/zinc/03/44/91/1066034491.db2.gz UFHUEOVNUGDPEC-UFHPHHKVSA-N 2 2 462.682 4.632 20 0 JJADLP CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881469 1066380547 /nfs/dbraw/zinc/38/05/47/1066380547.db2.gz KFPRDNMLJFTXAR-HSZRJFAPSA-N 2 2 458.021 4.862 20 0 JJADLP CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881469 1066380558 /nfs/dbraw/zinc/38/05/58/1066380558.db2.gz KFPRDNMLJFTXAR-HSZRJFAPSA-N 2 2 458.021 4.862 20 0 JJADLP C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)cc1 ZINC001455812550 1066435969 /nfs/dbraw/zinc/43/59/69/1066435969.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 2 2 458.606 4.586 20 0 JJADLP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)cc1 ZINC001455812550 1066435976 /nfs/dbraw/zinc/43/59/76/1066435976.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 2 2 458.606 4.586 20 0 JJADLP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001455812550 1066435981 /nfs/dbraw/zinc/43/59/81/1066435981.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 2 2 458.606 4.586 20 0 JJADLP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001455812550 1066435986 /nfs/dbraw/zinc/43/59/86/1066435986.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 2 2 458.606 4.586 20 0 JJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585795 1066724002 /nfs/dbraw/zinc/72/40/02/1066724002.db2.gz RABJHFIPOAHHLX-RPWUZVMVSA-N 2 2 452.549 4.515 20 0 JJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585795 1066724007 /nfs/dbraw/zinc/72/40/07/1066724007.db2.gz RABJHFIPOAHHLX-RPWUZVMVSA-N 2 2 452.549 4.515 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731969 1066992438 /nfs/dbraw/zinc/99/24/38/1066992438.db2.gz VSJSNBRKSCFLEJ-WPFOTENUSA-N 2 2 461.658 4.636 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731969 1066992443 /nfs/dbraw/zinc/99/24/43/1066992443.db2.gz VSJSNBRKSCFLEJ-WPFOTENUSA-N 2 2 461.658 4.636 20 0 JJADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871758 1067180984 /nfs/dbraw/zinc/18/09/84/1067180984.db2.gz CZNOOQQNHWYZPU-GABPYWAHSA-N 2 2 451.577 4.904 20 0 JJADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871758 1067180995 /nfs/dbraw/zinc/18/09/95/1067180995.db2.gz CZNOOQQNHWYZPU-GABPYWAHSA-N 2 2 451.577 4.904 20 0 JJADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875662 1067182398 /nfs/dbraw/zinc/18/23/98/1067182398.db2.gz LFKGUBOUDLJVDR-LEOXJPRUSA-N 2 2 453.593 4.995 20 0 JJADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875662 1067182404 /nfs/dbraw/zinc/18/24/04/1067182404.db2.gz LFKGUBOUDLJVDR-LEOXJPRUSA-N 2 2 453.593 4.995 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458877077 1067183143 /nfs/dbraw/zinc/18/31/43/1067183143.db2.gz NXLMSYZYKKMYQK-DHIUTWEWSA-N 2 2 453.593 4.824 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458877077 1067183146 /nfs/dbraw/zinc/18/31/46/1067183146.db2.gz NXLMSYZYKKMYQK-DHIUTWEWSA-N 2 2 453.593 4.824 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386755 1067309949 /nfs/dbraw/zinc/30/99/49/1067309949.db2.gz ORCBUJABVFNHBW-UPVQGACJSA-N 2 2 451.655 4.639 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386755 1067309963 /nfs/dbraw/zinc/30/99/63/1067309963.db2.gz ORCBUJABVFNHBW-UPVQGACJSA-N 2 2 451.655 4.639 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386760 1067310385 /nfs/dbraw/zinc/31/03/85/1067310385.db2.gz ORCBUJABVFNHBW-VWNXMTODSA-N 2 2 451.655 4.639 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386760 1067310397 /nfs/dbraw/zinc/31/03/97/1067310397.db2.gz ORCBUJABVFNHBW-VWNXMTODSA-N 2 2 451.655 4.639 20 0 JJADLP CC(C)(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400421 1067313817 /nfs/dbraw/zinc/31/38/17/1067313817.db2.gz RKPAZUFKYVQFAG-RUZDIDTESA-N 2 2 454.058 4.949 20 0 JJADLP CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400421 1067313827 /nfs/dbraw/zinc/31/38/27/1067313827.db2.gz RKPAZUFKYVQFAG-RUZDIDTESA-N 2 2 454.058 4.949 20 0 JJADLP CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459673759 1067379697 /nfs/dbraw/zinc/37/96/97/1067379697.db2.gz VFRCHFQESJRSFL-TZIWHRDSSA-N 2 2 459.679 4.702 20 0 JJADLP CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459673759 1067379707 /nfs/dbraw/zinc/37/97/07/1067379707.db2.gz VFRCHFQESJRSFL-TZIWHRDSSA-N 2 2 459.679 4.702 20 0 JJADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459783493 1067419915 /nfs/dbraw/zinc/41/99/15/1067419915.db2.gz BUJNHFDROPULCE-UHFFFAOYSA-N 2 2 454.640 4.634 20 0 JJADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459783493 1067419918 /nfs/dbraw/zinc/41/99/18/1067419918.db2.gz BUJNHFDROPULCE-UHFFFAOYSA-N 2 2 454.640 4.634 20 0 JJADLP CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](CC)CC3)co2)cc1 ZINC001459873291 1067468398 /nfs/dbraw/zinc/46/83/98/1067468398.db2.gz CCHIRXRQWUSXCV-IBGZPJMESA-N 2 2 452.574 4.872 20 0 JJADLP O=C(C[N@H+]1CCCC[C@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356337 1067616501 /nfs/dbraw/zinc/61/65/01/1067616501.db2.gz KTEIWQAZNQGKCR-SQJMNOBHSA-N 2 2 458.021 4.829 20 0 JJADLP O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356337 1067616505 /nfs/dbraw/zinc/61/65/05/1067616505.db2.gz KTEIWQAZNQGKCR-SQJMNOBHSA-N 2 2 458.021 4.829 20 0 JJADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460718365 1067708431 /nfs/dbraw/zinc/70/84/31/1067708431.db2.gz LOGHKRBTCBOTNX-UHFFFAOYSA-N 2 2 454.373 4.567 20 0 JJADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460718365 1067708438 /nfs/dbraw/zinc/70/84/38/1067708438.db2.gz LOGHKRBTCBOTNX-UHFFFAOYSA-N 2 2 454.373 4.567 20 0 JJADLP C[C@](O)(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747071 1067715073 /nfs/dbraw/zinc/71/50/73/1067715073.db2.gz LILVAYBFHBEHAG-LEOXJPRUSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@](O)(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747071 1067715081 /nfs/dbraw/zinc/71/50/81/1067715081.db2.gz LILVAYBFHBEHAG-LEOXJPRUSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@](O)(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747071 1067715089 /nfs/dbraw/zinc/71/50/89/1067715089.db2.gz LILVAYBFHBEHAG-LEOXJPRUSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@](O)(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747071 1067715096 /nfs/dbraw/zinc/71/50/96/1067715096.db2.gz LILVAYBFHBEHAG-LEOXJPRUSA-N 2 2 463.847 4.764 20 0 JJADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCSCCOc2cccc(Br)c2)CC1 ZINC001461217474 1067801666 /nfs/dbraw/zinc/80/16/66/1067801666.db2.gz GDPIUUXWTFPFBS-UHFFFAOYSA-N 2 2 455.384 4.568 20 0 JJADLP COc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1OC(C)C ZINC001461222568 1067803045 /nfs/dbraw/zinc/80/30/45/1067803045.db2.gz NEAVJKBHBZJCOI-UHFFFAOYSA-N 2 2 451.533 4.543 20 0 JJADLP COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001461237209 1067806386 /nfs/dbraw/zinc/80/63/86/1067806386.db2.gz WWBKYMQJZPKSMU-UHFFFAOYSA-N 2 2 457.477 4.555 20 0 JJADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC001461524508 1067880771 /nfs/dbraw/zinc/88/07/71/1067880771.db2.gz YAFUABMZGQGCTJ-UHFFFAOYSA-N 2 2 455.046 4.517 20 0 JJADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863003 1067949764 /nfs/dbraw/zinc/94/97/64/1067949764.db2.gz AFAIKXWHMPKGLU-NHCUHLMSSA-N 2 2 454.615 4.618 20 0 JJADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899081 1067957575 /nfs/dbraw/zinc/95/75/75/1067957575.db2.gz NMBSULOUZJFAKQ-GOTSBHOMSA-N 2 2 459.675 4.782 20 0 JJADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899081 1067957579 /nfs/dbraw/zinc/95/75/79/1067957579.db2.gz NMBSULOUZJFAKQ-GOTSBHOMSA-N 2 2 459.675 4.782 20 0 JJADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001464490476 1068764735 /nfs/dbraw/zinc/76/47/35/1068764735.db2.gz DNRBSMMMEZIIIU-QGZVFWFLSA-N 2 2 451.320 4.664 20 0 JJADLP C[NH+]1CCN(c2cccc(N3CCC(O[C@H](c4ccc(Cl)cc4)c4ccccn4)CC3)[nH+]2)CC1 ZINC001164622427 719130505 /nfs/dbraw/zinc/13/05/05/719130505.db2.gz OTUFMFUCKICERT-HHHXNRCGSA-N 2 2 478.040 4.657 20 0 JJADLP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731521 720440810 /nfs/dbraw/zinc/44/08/10/720440810.db2.gz LKWVYERWTGUIKD-PKTZIBPZSA-N 2 2 488.705 4.804 20 0 JJADLP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731521 720440813 /nfs/dbraw/zinc/44/08/13/720440813.db2.gz LKWVYERWTGUIKD-PKTZIBPZSA-N 2 2 488.705 4.804 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840260 720604645 /nfs/dbraw/zinc/60/46/45/720604645.db2.gz POQBGAIMDIIBHP-TWJOJJKGSA-N 2 2 483.664 4.671 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840260 720604654 /nfs/dbraw/zinc/60/46/54/720604654.db2.gz POQBGAIMDIIBHP-TWJOJJKGSA-N 2 2 483.664 4.671 20 0 JJADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753192 720904883 /nfs/dbraw/zinc/90/48/83/720904883.db2.gz QUIWQLMOZAQXMI-GGXMVOPNSA-N 2 2 475.681 4.983 20 0 JJADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753192 720904893 /nfs/dbraw/zinc/90/48/93/720904893.db2.gz QUIWQLMOZAQXMI-GGXMVOPNSA-N 2 2 475.681 4.983 20 0 JJADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CC3)CC2)cc1 ZINC001164758901 721043843 /nfs/dbraw/zinc/04/38/43/721043843.db2.gz DBRHGCMXZGBRRA-UHFFFAOYSA-N 2 2 469.633 4.554 20 0 JJADLP c1csc(C[N@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784376 721426735 /nfs/dbraw/zinc/42/67/35/721426735.db2.gz LJAHALMZNSDULQ-KDURUIRLSA-N 2 2 494.734 4.581 20 0 JJADLP c1csc(C[N@@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784376 721426737 /nfs/dbraw/zinc/42/67/37/721426737.db2.gz LJAHALMZNSDULQ-KDURUIRLSA-N 2 2 494.734 4.581 20 0 JJADLP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[NH+](C[C@H]5CCCO5)CC4)c23)c1 ZINC001165039248 721918703 /nfs/dbraw/zinc/91/87/03/721918703.db2.gz RYWPIXWMDNSOPE-LJQANCHMSA-N 2 2 483.707 4.707 20 0 JJADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001545865318 1064273106 /nfs/dbraw/zinc/27/31/06/1064273106.db2.gz XEJHRQIZSIMXCZ-QFIPXVFZSA-N 2 2 450.627 4.645 20 0 JJADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001545865318 1064273117 /nfs/dbraw/zinc/27/31/17/1064273117.db2.gz XEJHRQIZSIMXCZ-QFIPXVFZSA-N 2 2 450.627 4.645 20 0 JJADLP CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001360095258 1064968708 /nfs/dbraw/zinc/96/87/08/1064968708.db2.gz CDHASRMCQQMYSK-UHFFFAOYSA-N 2 2 463.674 4.657 20 0 JJADLP CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001360095258 1064968720 /nfs/dbraw/zinc/96/87/20/1064968720.db2.gz CDHASRMCQQMYSK-UHFFFAOYSA-N 2 2 463.674 4.657 20 0 JJADLP CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1)C(C)C ZINC001360437099 1065317168 /nfs/dbraw/zinc/31/71/68/1065317168.db2.gz COQKSQXTZYTNKV-OAQYLSRUSA-N 2 2 497.638 4.620 20 0 JJADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC(C)(C)[N@H+](Cc4ccccc4)CC3(C)C)CC2)cs1 ZINC001454116368 1066246824 /nfs/dbraw/zinc/24/68/24/1066246824.db2.gz JIOKKRWREXSVTQ-UHFFFAOYSA-N 2 2 454.684 4.565 20 0 JJADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC(C)(C)[N@@H+](Cc4ccccc4)CC3(C)C)CC2)cs1 ZINC001454116368 1066246840 /nfs/dbraw/zinc/24/68/40/1066246840.db2.gz JIOKKRWREXSVTQ-UHFFFAOYSA-N 2 2 454.684 4.565 20 0 JJADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649894 1066314229 /nfs/dbraw/zinc/31/42/29/1066314229.db2.gz NSRYNFFSKFCEEF-QHCPKHFHSA-N 2 2 454.546 4.584 20 0 JJADLP CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545743811 1067010492 /nfs/dbraw/zinc/01/04/92/1067010492.db2.gz RHKBJSDJROQJSG-XMMPIXPASA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545743811 1067010506 /nfs/dbraw/zinc/01/05/06/1067010506.db2.gz RHKBJSDJROQJSG-XMMPIXPASA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743887 1067010731 /nfs/dbraw/zinc/01/07/31/1067010731.db2.gz SLNYTXSCZGOBSA-URXFXBBRSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743887 1067010743 /nfs/dbraw/zinc/01/07/43/1067010743.db2.gz SLNYTXSCZGOBSA-URXFXBBRSA-N 2 2 475.685 4.574 20 0 JJADLP CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546839 1067089403 /nfs/dbraw/zinc/08/94/03/1067089403.db2.gz RGEBMEPXZIZIHY-RCZVLFRGSA-N 2 2 452.643 4.700 20 0 JJADLP CC[C@@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001451028397 1067140836 /nfs/dbraw/zinc/14/08/36/1067140836.db2.gz FVYBKKLXZZKCKX-PVHODMMVSA-N 2 2 455.687 4.559 20 0 JJADLP CC[C@@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001451028397 1067140839 /nfs/dbraw/zinc/14/08/39/1067140839.db2.gz FVYBKKLXZZKCKX-PVHODMMVSA-N 2 2 455.687 4.559 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875606 1067182290 /nfs/dbraw/zinc/18/22/90/1067182290.db2.gz KWQRIFKVPPJUGJ-MHBGZZOHSA-N 2 2 451.655 4.748 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875606 1067182298 /nfs/dbraw/zinc/18/22/98/1067182298.db2.gz KWQRIFKVPPJUGJ-MHBGZZOHSA-N 2 2 451.655 4.748 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875601 1067182353 /nfs/dbraw/zinc/18/23/53/1067182353.db2.gz KWQRIFKVPPJUGJ-BAURHKQJSA-N 2 2 451.655 4.748 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875601 1067182359 /nfs/dbraw/zinc/18/23/59/1067182359.db2.gz KWQRIFKVPPJUGJ-BAURHKQJSA-N 2 2 451.655 4.748 20 0 JJADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875665 1067182465 /nfs/dbraw/zinc/18/24/65/1067182465.db2.gz LFKGUBOUDLJVDR-YFXJRYMSSA-N 2 2 453.593 4.995 20 0 JJADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875665 1067182474 /nfs/dbraw/zinc/18/24/74/1067182474.db2.gz LFKGUBOUDLJVDR-YFXJRYMSSA-N 2 2 453.593 4.995 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875612 1067182520 /nfs/dbraw/zinc/18/25/20/1067182520.db2.gz KWQRIFKVPPJUGJ-SQMFLSJESA-N 2 2 451.655 4.748 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875612 1067182524 /nfs/dbraw/zinc/18/25/24/1067182524.db2.gz KWQRIFKVPPJUGJ-SQMFLSJESA-N 2 2 451.655 4.748 20 0 JJADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001459662566 1067374926 /nfs/dbraw/zinc/37/49/26/1067374926.db2.gz PESUTOPDXZIOSH-UHFFFAOYSA-N 2 2 454.924 4.931 20 0 JJADLP CC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001459662566 1067374937 /nfs/dbraw/zinc/37/49/37/1067374937.db2.gz PESUTOPDXZIOSH-UHFFFAOYSA-N 2 2 454.924 4.931 20 0 JJADLP CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459667934 1067377251 /nfs/dbraw/zinc/37/72/51/1067377251.db2.gz AJQRUSAUWLUXJC-UHFFFAOYSA-N 2 2 459.679 4.989 20 0 JJADLP CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459667934 1067377260 /nfs/dbraw/zinc/37/72/60/1067377260.db2.gz AJQRUSAUWLUXJC-UHFFFAOYSA-N 2 2 459.679 4.989 20 0 JJADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459676529 1067380678 /nfs/dbraw/zinc/38/06/78/1067380678.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 2 2 451.412 4.860 20 0 JJADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459676529 1067380691 /nfs/dbraw/zinc/38/06/91/1067380691.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 2 2 451.412 4.860 20 0 JJADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459676529 1067380703 /nfs/dbraw/zinc/38/07/03/1067380703.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 2 2 451.412 4.860 20 0 JJADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459676529 1067380712 /nfs/dbraw/zinc/38/07/12/1067380712.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 2 2 451.412 4.860 20 0 JJADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086738 1067550319 /nfs/dbraw/zinc/55/03/19/1067550319.db2.gz WJLQKRZINMLIOJ-YKSBVNFPSA-N 2 2 453.652 4.656 20 0 JJADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086738 1067550327 /nfs/dbraw/zinc/55/03/27/1067550327.db2.gz WJLQKRZINMLIOJ-YKSBVNFPSA-N 2 2 453.652 4.656 20 0 JJADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCc4ccc(Cl)cc4[C@H](C)C3)CC2)cc1 ZINC001460335582 1067610995 /nfs/dbraw/zinc/61/09/95/1067610995.db2.gz HFZALTGLQREITP-OAQYLSRUSA-N 2 2 454.058 4.769 20 0 JJADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCc4ccc(Cl)cc4[C@H](C)C3)CC2)cc1 ZINC001460335582 1067610996 /nfs/dbraw/zinc/61/09/96/1067610996.db2.gz HFZALTGLQREITP-OAQYLSRUSA-N 2 2 454.058 4.769 20 0 JJADLP Clc1cc(N2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc(Cl)c1Cl ZINC001460362312 1067618510 /nfs/dbraw/zinc/61/85/10/1067618510.db2.gz PWOHIZNHHHXXCW-UHFFFAOYSA-N 2 2 454.829 4.801 20 0 JJADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC=C(c4ccc(Cl)cc4C)CC3)cc2)CC1 ZINC001460582991 1067661744 /nfs/dbraw/zinc/66/17/44/1067661744.db2.gz XPGWNJOBOJKHFK-UHFFFAOYSA-N 2 2 453.030 4.518 20 0 JJADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC=C(c4ccc(Cl)cc4C)CC3)cc2)CC1 ZINC001460582991 1067661749 /nfs/dbraw/zinc/66/17/49/1067661749.db2.gz XPGWNJOBOJKHFK-UHFFFAOYSA-N 2 2 453.030 4.518 20 0 JJADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001461097157 1067781349 /nfs/dbraw/zinc/78/13/49/1067781349.db2.gz CVJMYDHFQWUYRW-UHFFFAOYSA-N 2 2 454.347 4.866 20 0 JJADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC001461219798 1067802037 /nfs/dbraw/zinc/80/20/37/1067802037.db2.gz CCPQHEOGDCLVMT-UHFFFAOYSA-N 2 2 452.571 4.932 20 0 JJADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001461373266 1067840575 /nfs/dbraw/zinc/84/05/75/1067840575.db2.gz QSOZCJKBSXEWSR-GOSISDBHSA-N 2 2 454.416 4.653 20 0 JJADLP Fc1ccc(Sc2ccc(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)cc2)cc1 ZINC001461388871 1067844987 /nfs/dbraw/zinc/84/49/87/1067844987.db2.gz JFNYGXMXYVWCQY-UHFFFAOYSA-N 2 2 452.595 4.978 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461981448 1067974317 /nfs/dbraw/zinc/97/43/17/1067974317.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461981448 1067974328 /nfs/dbraw/zinc/97/43/28/1067974328.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461981448 1067974338 /nfs/dbraw/zinc/97/43/38/1067974338.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461981448 1067974348 /nfs/dbraw/zinc/97/43/48/1067974348.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 2 2 453.428 4.897 20 0 JJADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462198287 1068027621 /nfs/dbraw/zinc/02/76/21/1068027621.db2.gz LAPCSZFQYKECPE-LJQANCHMSA-N 2 2 454.949 4.683 20 0 JJADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462198287 1068027634 /nfs/dbraw/zinc/02/76/34/1068027634.db2.gz LAPCSZFQYKECPE-LJQANCHMSA-N 2 2 454.949 4.683 20 0 JJADLP Cc1ccc(C)c(SCc2cccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)c1 ZINC001464606024 1068797382 /nfs/dbraw/zinc/79/73/82/1068797382.db2.gz BVANPXDJPAMODG-UHFFFAOYSA-N 2 2 451.680 4.884 20 0 JJADLP CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl ZINC001464640467 1068808116 /nfs/dbraw/zinc/80/81/16/1068808116.db2.gz YKRTZFGKIHVVFL-UHFFFAOYSA-N 2 2 455.952 4.771 20 0 JJADLP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl ZINC001464640467 1068808125 /nfs/dbraw/zinc/80/81/25/1068808125.db2.gz YKRTZFGKIHVVFL-UHFFFAOYSA-N 2 2 455.952 4.771 20 0 JJADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420307 718891122 /nfs/dbraw/zinc/89/11/22/718891122.db2.gz TZAIITGWYOQOIL-ICSRJNTNSA-N 2 2 470.415 4.617 20 0 JJADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420307 718891124 /nfs/dbraw/zinc/89/11/24/718891124.db2.gz TZAIITGWYOQOIL-ICSRJNTNSA-N 2 2 470.415 4.617 20 0 JJADLP Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c2ccccc12 ZINC001164684514 719666766 /nfs/dbraw/zinc/66/67/66/719666766.db2.gz UKDKZYSAHAMZBN-QFIPXVFZSA-N 2 2 456.634 4.637 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2C)cc1 ZINC001165030534 721822103 /nfs/dbraw/zinc/82/21/03/721822103.db2.gz ZRNMBAMAHNARFF-HUROMRQRSA-N 2 2 470.617 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2C)cc1 ZINC001165030534 721822104 /nfs/dbraw/zinc/82/21/04/721822104.db2.gz ZRNMBAMAHNARFF-HUROMRQRSA-N 2 2 470.617 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2C)cc1 ZINC001165030536 721822196 /nfs/dbraw/zinc/82/21/96/721822196.db2.gz ZRNMBAMAHNARFF-MSLLRLGPSA-N 2 2 470.617 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2C)cc1 ZINC001165030536 721822198 /nfs/dbraw/zinc/82/21/98/721822198.db2.gz ZRNMBAMAHNARFF-MSLLRLGPSA-N 2 2 470.617 4.976 20 0 JJADLP c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967219 722075198 /nfs/dbraw/zinc/07/51/98/722075198.db2.gz OFNMIHRPEJBKFY-ZRZAMGCNSA-N 2 2 489.689 4.644 20 0 JJADLP c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967219 722075199 /nfs/dbraw/zinc/07/51/99/722075199.db2.gz OFNMIHRPEJBKFY-ZRZAMGCNSA-N 2 2 489.689 4.644 20 0 JJADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001545865317 1064272969 /nfs/dbraw/zinc/27/29/69/1064272969.db2.gz XEJHRQIZSIMXCZ-JOCHJYFZSA-N 2 2 450.627 4.645 20 0 JJADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001545865317 1064272984 /nfs/dbraw/zinc/27/29/84/1064272984.db2.gz XEJHRQIZSIMXCZ-JOCHJYFZSA-N 2 2 450.627 4.645 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359861378 1064552338 /nfs/dbraw/zinc/55/23/38/1064552338.db2.gz TVTPFGAOAYRXCB-GOTSBHOMSA-N 2 2 487.136 4.820 20 0 JJADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864916 1065032509 /nfs/dbraw/zinc/03/25/09/1065032509.db2.gz HFMANNVQIJBEMC-LOSJGSFVSA-N 2 2 459.675 4.529 20 0 JJADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864916 1065032523 /nfs/dbraw/zinc/03/25/23/1065032523.db2.gz HFMANNVQIJBEMC-LOSJGSFVSA-N 2 2 459.675 4.529 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864878 1065032709 /nfs/dbraw/zinc/03/27/09/1065032709.db2.gz GWPITCHMPOMTIS-XZOQPEGZSA-N 2 2 454.684 4.836 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864878 1065032723 /nfs/dbraw/zinc/03/27/23/1065032723.db2.gz GWPITCHMPOMTIS-XZOQPEGZSA-N 2 2 454.684 4.836 20 0 JJADLP Cc1cc(N2CCN(c3nnc(C4CCCC4)n3CCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105852 1066354981 /nfs/dbraw/zinc/35/49/81/1066354981.db2.gz ZUJGQKGAENXRKP-UHFFFAOYSA-N 2 2 496.748 4.993 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447300265 1066788791 /nfs/dbraw/zinc/78/87/91/1066788791.db2.gz BRPXYZDXPMJELO-RTWAWAEBSA-N 2 2 451.442 4.884 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447300265 1066788804 /nfs/dbraw/zinc/78/88/04/1066788804.db2.gz BRPXYZDXPMJELO-RTWAWAEBSA-N 2 2 451.442 4.884 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447300262 1066788950 /nfs/dbraw/zinc/78/89/50/1066788950.db2.gz BRPXYZDXPMJELO-NHCUHLMSSA-N 2 2 451.442 4.884 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447300262 1066788961 /nfs/dbraw/zinc/78/89/61/1066788961.db2.gz BRPXYZDXPMJELO-NHCUHLMSSA-N 2 2 451.442 4.884 20 0 JJADLP CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545758537 1067038517 /nfs/dbraw/zinc/03/85/17/1067038517.db2.gz IVUJVUVIQHXWAD-VWLOTQADSA-N 2 2 489.712 4.888 20 0 JJADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001450109781 1067049745 /nfs/dbraw/zinc/04/97/45/1067049745.db2.gz FSANTWKBFZPBIG-MUUNZHRXSA-N 2 2 458.650 4.666 20 0 JJADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001450109781 1067049763 /nfs/dbraw/zinc/04/97/63/1067049763.db2.gz FSANTWKBFZPBIG-MUUNZHRXSA-N 2 2 458.650 4.666 20 0 JJADLP CC[C@@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001451028379 1067140813 /nfs/dbraw/zinc/14/08/13/1067140813.db2.gz FVYBKKLXZZKCKX-KWXIBIRDSA-N 2 2 455.687 4.559 20 0 JJADLP CC[C@@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001451028379 1067140819 /nfs/dbraw/zinc/14/08/19/1067140819.db2.gz FVYBKKLXZZKCKX-KWXIBIRDSA-N 2 2 455.687 4.559 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458877087 1067183083 /nfs/dbraw/zinc/18/30/83/1067183083.db2.gz NXLMSYZYKKMYQK-PKTZIBPZSA-N 2 2 453.593 4.824 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458877087 1067183087 /nfs/dbraw/zinc/18/30/87/1067183087.db2.gz NXLMSYZYKKMYQK-PKTZIBPZSA-N 2 2 453.593 4.824 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879168 1067184438 /nfs/dbraw/zinc/18/44/38/1067184438.db2.gz RGBDSCLDWTVIAK-RPBOFIJWSA-N 2 2 459.675 4.673 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879168 1067184441 /nfs/dbraw/zinc/18/44/41/1067184441.db2.gz RGBDSCLDWTVIAK-RPBOFIJWSA-N 2 2 459.675 4.673 20 0 JJADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC2)CC1 ZINC001451671895 1067185545 /nfs/dbraw/zinc/18/55/45/1067185545.db2.gz GPGDRQYCYCDSMK-UHFFFAOYSA-N 2 2 459.993 4.904 20 0 JJADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC2)CC1 ZINC001451671895 1067185547 /nfs/dbraw/zinc/18/55/47/1067185547.db2.gz GPGDRQYCYCDSMK-UHFFFAOYSA-N 2 2 459.993 4.904 20 0 JJADLP O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459657891 1067373411 /nfs/dbraw/zinc/37/34/11/1067373411.db2.gz RTSDMWSFRJPRND-VWLOTQADSA-N 2 2 458.021 4.687 20 0 JJADLP O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356175 1067616435 /nfs/dbraw/zinc/61/64/35/1067616435.db2.gz KTEIWQAZNQGKCR-BWKNWUBXSA-N 2 2 458.021 4.829 20 0 JJADLP O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356175 1067616438 /nfs/dbraw/zinc/61/64/38/1067616438.db2.gz KTEIWQAZNQGKCR-BWKNWUBXSA-N 2 2 458.021 4.829 20 0 JJADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048527 1067769293 /nfs/dbraw/zinc/76/92/93/1067769293.db2.gz KTFNTCXKKBAXAK-OALUTQOASA-N 3 2 459.581 4.837 20 0 JJADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(Br)c3OC(F)F)[nH+]c2)CC1 ZINC001461324629 1067827953 /nfs/dbraw/zinc/82/79/53/1067827953.db2.gz SSFXZKIPMLITER-UHFFFAOYSA-N 2 2 455.347 4.588 20 0 JJADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)[nH+]c2)C1 ZINC001461357454 1067837786 /nfs/dbraw/zinc/83/77/86/1067837786.db2.gz SCKOEYZRNWPCTP-FQEVSTJZSA-N 2 2 453.034 4.971 20 0 JJADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001461360089 1067838584 /nfs/dbraw/zinc/83/85/84/1067838584.db2.gz UYNJKKIKYBGCQL-FQEVSTJZSA-N 2 2 459.425 4.694 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461981438 1067974485 /nfs/dbraw/zinc/97/44/85/1067974485.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461981438 1067974490 /nfs/dbraw/zinc/97/44/90/1067974490.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461981438 1067974495 /nfs/dbraw/zinc/97/44/95/1067974495.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 2 2 453.428 4.897 20 0 JJADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461981438 1067974499 /nfs/dbraw/zinc/97/44/99/1067974499.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 2 2 453.428 4.897 20 0 JJADLP C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462477623 1068082104 /nfs/dbraw/zinc/08/21/04/1068082104.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 2 2 457.334 4.537 20 0 JJADLP C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462477623 1068082120 /nfs/dbraw/zinc/08/21/20/1068082120.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 2 2 457.334 4.537 20 0 JJADLP C[NH+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462477623 1068082134 /nfs/dbraw/zinc/08/21/34/1068082134.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 2 2 457.334 4.537 20 0 JJADLP C[NH+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462477623 1068082149 /nfs/dbraw/zinc/08/21/49/1068082149.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 2 2 457.334 4.537 20 0 JJADLP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cc(F)cc(F)c1 ZINC001462575997 1068102255 /nfs/dbraw/zinc/10/22/55/1068102255.db2.gz IQEUUQPSBVKZSP-IBGZPJMESA-N 2 2 459.581 4.911 20 0 JJADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420309 718891249 /nfs/dbraw/zinc/89/12/49/718891249.db2.gz TZAIITGWYOQOIL-UYAOXDASSA-N 2 2 470.415 4.617 20 0 JJADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420309 718891251 /nfs/dbraw/zinc/89/12/51/718891251.db2.gz TZAIITGWYOQOIL-UYAOXDASSA-N 2 2 470.415 4.617 20 0 JJADLP c1csc(C[NH+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164784379 721426567 /nfs/dbraw/zinc/42/65/67/721426567.db2.gz LJAHALMZNSDULQ-OALUTQOASA-N 2 2 494.734 4.581 20 0 JJADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164909966 721751676 /nfs/dbraw/zinc/75/16/76/721751676.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 2 2 479.628 4.823 20 0 JJADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164909966 721751684 /nfs/dbraw/zinc/75/16/84/721751684.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 2 2 479.628 4.823 20 0 JJADLP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164909966 721751690 /nfs/dbraw/zinc/75/16/90/721751690.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 2 2 479.628 4.823 20 0 JJADLP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164909966 721751694 /nfs/dbraw/zinc/75/16/94/721751694.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 2 2 479.628 4.823 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865428 1065033400 /nfs/dbraw/zinc/03/34/00/1065033400.db2.gz MJDZDYGIRDCFGK-DQEYMECFSA-N 2 2 455.046 4.811 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865428 1065033417 /nfs/dbraw/zinc/03/34/17/1065033417.db2.gz MJDZDYGIRDCFGK-DQEYMECFSA-N 2 2 455.046 4.811 20 0 JJADLP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC001438334764 1065711458 /nfs/dbraw/zinc/71/14/58/1065711458.db2.gz MUKRLEFAZVMPBQ-OYUWMTPXSA-N 2 2 478.036 4.736 20 0 JJADLP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC001438334764 1065711474 /nfs/dbraw/zinc/71/14/74/1065711474.db2.gz MUKRLEFAZVMPBQ-OYUWMTPXSA-N 2 2 478.036 4.736 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458877092 1067183110 /nfs/dbraw/zinc/18/31/10/1067183110.db2.gz NXLMSYZYKKMYQK-XZOQPEGZSA-N 2 2 453.593 4.824 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458877092 1067183113 /nfs/dbraw/zinc/18/31/13/1067183113.db2.gz NXLMSYZYKKMYQK-XZOQPEGZSA-N 2 2 453.593 4.824 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458877082 1067183217 /nfs/dbraw/zinc/18/32/17/1067183217.db2.gz NXLMSYZYKKMYQK-GOTSBHOMSA-N 2 2 453.593 4.824 20 0 JJADLP CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458877082 1067183221 /nfs/dbraw/zinc/18/32/21/1067183221.db2.gz NXLMSYZYKKMYQK-GOTSBHOMSA-N 2 2 453.593 4.824 20 0 JJADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Oc4ccccc4F)c(F)c3)CC2)CC1 ZINC001459488044 1067337092 /nfs/dbraw/zinc/33/70/92/1067337092.db2.gz ONYSAYBUTGYASN-UHFFFAOYSA-N 2 2 457.565 4.523 20 0 JJADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459628562 1067368284 /nfs/dbraw/zinc/36/82/84/1067368284.db2.gz WOZTWTSNPNMTMV-UHFFFAOYSA-N 2 2 451.014 4.848 20 0 JJADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459628562 1067368297 /nfs/dbraw/zinc/36/82/97/1067368297.db2.gz WOZTWTSNPNMTMV-UHFFFAOYSA-N 2 2 451.014 4.848 20 0 JJADLP CC[N@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459672169 1067379217 /nfs/dbraw/zinc/37/92/17/1067379217.db2.gz OMMWVMBZHOBNPG-LEWJYISDSA-N 2 2 459.679 4.893 20 0 JJADLP CC[N@@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459672169 1067379229 /nfs/dbraw/zinc/37/92/29/1067379229.db2.gz OMMWVMBZHOBNPG-LEWJYISDSA-N 2 2 459.679 4.893 20 0 JJADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459676536 1067380837 /nfs/dbraw/zinc/38/08/37/1067380837.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 2 2 451.412 4.860 20 0 JJADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459676536 1067380847 /nfs/dbraw/zinc/38/08/47/1067380847.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 2 2 451.412 4.860 20 0 JJADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459676536 1067380859 /nfs/dbraw/zinc/38/08/59/1067380859.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 2 2 451.412 4.860 20 0 JJADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459676536 1067380871 /nfs/dbraw/zinc/38/08/71/1067380871.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 2 2 451.412 4.860 20 0 JJADLP C[C@@](O)(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067714990 /nfs/dbraw/zinc/71/49/90/1067714990.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@@](O)(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067715003 /nfs/dbraw/zinc/71/50/03/1067715003.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@@](O)(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067715014 /nfs/dbraw/zinc/71/50/14/1067715014.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 2 2 463.847 4.764 20 0 JJADLP C[C@@](O)(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067715024 /nfs/dbraw/zinc/71/50/24/1067715024.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 2 2 463.847 4.764 20 0 JJADLP C[NH+](C)CCC[NH2+]Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC001460999868 1067760496 /nfs/dbraw/zinc/76/04/96/1067760496.db2.gz UIFONYPRTZOMRK-UHFFFAOYSA-N 2 2 456.222 4.832 20 0 JJADLP FC(F)Oc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Br ZINC001461484575 1067872037 /nfs/dbraw/zinc/87/20/37/1067872037.db2.gz QAEWBCOLSZJFBW-UHFFFAOYSA-N 2 2 457.281 4.945 20 0 JJADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC001461753902 1067930975 /nfs/dbraw/zinc/93/09/75/1067930975.db2.gz MHIAQTTZVRBIIJ-SNAWJCMRSA-N 2 2 457.565 4.821 20 0 JJADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863005 1067949654 /nfs/dbraw/zinc/94/96/54/1067949654.db2.gz AFAIKXWHMPKGLU-SFTDATJTSA-N 2 2 454.615 4.618 20 0 JJADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC[C@H]21 ZINC001462175892 1068022171 /nfs/dbraw/zinc/02/21/71/1068022171.db2.gz FFBDBDSOIUBPIK-LHXQDIIJSA-N 2 2 459.597 4.950 20 0 JJADLP CC(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164663558 719345187 /nfs/dbraw/zinc/34/51/87/719345187.db2.gz YFABULWQZYZLBB-UHFFFAOYSA-N 2 2 491.709 4.581 20 0 JJADLP Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684211 719669031 /nfs/dbraw/zinc/66/90/31/719669031.db2.gz SNNNHAICDNPLJO-QFIPXVFZSA-N 2 2 456.634 4.637 20 0 JJADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164695060 719830562 /nfs/dbraw/zinc/83/05/62/719830562.db2.gz ATFXVYLGJNMJOC-DEOSSOPVSA-N 2 2 484.648 4.533 20 0 JJADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164695060 719830564 /nfs/dbraw/zinc/83/05/64/719830564.db2.gz ATFXVYLGJNMJOC-DEOSSOPVSA-N 2 2 484.648 4.533 20 0 JJADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731519 720440931 /nfs/dbraw/zinc/44/09/31/720440931.db2.gz LKWVYERWTGUIKD-DHIUTWEWSA-N 2 2 488.705 4.804 20 0 JJADLP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731519 720440945 /nfs/dbraw/zinc/44/09/45/720440945.db2.gz LKWVYERWTGUIKD-DHIUTWEWSA-N 2 2 488.705 4.804 20 0 JJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001165022775 721841592 /nfs/dbraw/zinc/84/15/92/721841592.db2.gz UIXWDNLIYUWUPG-UHFFFAOYSA-N 2 2 489.595 4.737 20 0 JJADLP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614046 1064877484 /nfs/dbraw/zinc/87/74/84/1064877484.db2.gz RCIMQFNLEAYYQZ-ISKFKSNPSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001435614046 1064877500 /nfs/dbraw/zinc/87/75/00/1064877500.db2.gz RCIMQFNLEAYYQZ-ISKFKSNPSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614048 1064877775 /nfs/dbraw/zinc/87/77/75/1064877775.db2.gz RCIMQFNLEAYYQZ-UPVQGACJSA-N 2 2 452.002 4.533 20 0 JJADLP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001435614048 1064877797 /nfs/dbraw/zinc/87/77/97/1064877797.db2.gz RCIMQFNLEAYYQZ-UPVQGACJSA-N 2 2 452.002 4.533 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435864719 1065031589 /nfs/dbraw/zinc/03/15/89/1065031589.db2.gz GMXDQGGJCQGAHW-CSGUBPAMSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435864719 1065031603 /nfs/dbraw/zinc/03/16/03/1065031603.db2.gz GMXDQGGJCQGAHW-CSGUBPAMSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435864721 1065032569 /nfs/dbraw/zinc/03/25/69/1065032569.db2.gz GMXDQGGJCQGAHW-TWRVUUBYSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435864721 1065032585 /nfs/dbraw/zinc/03/25/85/1065032585.db2.gz GMXDQGGJCQGAHW-TWRVUUBYSA-N 2 2 452.470 4.893 20 0 JJADLP C[NH+](C)CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC001441247775 1066020063 /nfs/dbraw/zinc/02/00/63/1066020063.db2.gz KABORHVVBSSKHK-UHFFFAOYSA-N 2 2 451.611 4.616 20 0 JJADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266302 1066110665 /nfs/dbraw/zinc/11/06/65/1066110665.db2.gz VGEWGFUFWVHLPF-OAQYLSRUSA-N 2 2 453.574 4.537 20 0 JJADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266300 1066110775 /nfs/dbraw/zinc/11/07/75/1066110775.db2.gz VGEWGFUFWVHLPF-NRFANRHFSA-N 2 2 453.574 4.537 20 0 JJADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CC2)CC1 ZINC001442660952 1066148908 /nfs/dbraw/zinc/14/89/08/1066148908.db2.gz GRKOTAIRMXWGBR-UHFFFAOYSA-N 2 2 451.577 4.582 20 0 JJADLP C[NH+](C)CCCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(c1ccccc1)c1ccccc1 ZINC001443159102 1066275041 /nfs/dbraw/zinc/27/50/41/1066275041.db2.gz XMIQDHLJWLSHOC-UHFFFAOYSA-N 2 2 452.602 4.985 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461356 1066393380 /nfs/dbraw/zinc/39/33/80/1066393380.db2.gz CNHKUDLJUTZEDM-AMGIVPHBSA-N 2 2 451.630 4.764 20 0 JJADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701817 1066859384 /nfs/dbraw/zinc/85/93/84/1066859384.db2.gz IANJJCJVJHRFLD-OAQYLSRUSA-N 2 2 495.741 4.573 20 0 JJADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701817 1066859390 /nfs/dbraw/zinc/85/93/90/1066859390.db2.gz IANJJCJVJHRFLD-OAQYLSRUSA-N 2 2 495.741 4.573 20 0 JJADLP CC[C@@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743886 1067010429 /nfs/dbraw/zinc/01/04/29/1067010429.db2.gz SLNYTXSCZGOBSA-QPPBQGQZSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001545743886 1067010442 /nfs/dbraw/zinc/01/04/42/1067010442.db2.gz SLNYTXSCZGOBSA-QPPBQGQZSA-N 2 2 475.685 4.574 20 0 JJADLP CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546851 1067089321 /nfs/dbraw/zinc/08/93/21/1067089321.db2.gz RGEBMEPXZIZIHY-WIOPSUGQSA-N 2 2 452.643 4.700 20 0 JJADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001451670305 1067185591 /nfs/dbraw/zinc/18/55/91/1067185591.db2.gz DAFKKXPVLHQGPY-UHFFFAOYSA-N 2 2 455.046 4.584 20 0 JJADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001451670305 1067185595 /nfs/dbraw/zinc/18/55/95/1067185595.db2.gz DAFKKXPVLHQGPY-UHFFFAOYSA-N 2 2 455.046 4.584 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386752 1067310309 /nfs/dbraw/zinc/31/03/09/1067310309.db2.gz ORCBUJABVFNHBW-LADGPHEKSA-N 2 2 451.655 4.639 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386752 1067310323 /nfs/dbraw/zinc/31/03/23/1067310323.db2.gz ORCBUJABVFNHBW-LADGPHEKSA-N 2 2 451.655 4.639 20 0 JJADLP O=C(C[N@H+]1CCCC[C@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356179 1067616378 /nfs/dbraw/zinc/61/63/78/1067616378.db2.gz KTEIWQAZNQGKCR-OFVILXPXSA-N 2 2 458.021 4.829 20 0 JJADLP O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356179 1067616384 /nfs/dbraw/zinc/61/63/84/1067616384.db2.gz KTEIWQAZNQGKCR-OFVILXPXSA-N 2 2 458.021 4.829 20 0 JJADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460356853 1067616448 /nfs/dbraw/zinc/61/64/48/1067616448.db2.gz RWUMKSZJGQEJKU-DHIUTWEWSA-N 2 2 458.606 4.611 20 0 JJADLP C[N@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555524 1067655258 /nfs/dbraw/zinc/65/52/58/1067655258.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 2 2 452.545 4.613 20 0 JJADLP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555524 1067655266 /nfs/dbraw/zinc/65/52/66/1067655266.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 2 2 452.545 4.613 20 0 JJADLP C[NH+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555524 1067655270 /nfs/dbraw/zinc/65/52/70/1067655270.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 2 2 452.545 4.613 20 0 JJADLP C[NH+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555524 1067655271 /nfs/dbraw/zinc/65/52/71/1067655271.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 2 2 452.545 4.613 20 0 JJADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001461488416 1067873485 /nfs/dbraw/zinc/87/34/85/1067873485.db2.gz MRQISBVMPBTEQH-UHFFFAOYSA-N 2 2 454.416 4.552 20 0 JJADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612814 1067901858 /nfs/dbraw/zinc/90/18/58/1067901858.db2.gz LTRCXBGZHQUURU-NZQKXSOJSA-N 2 2 456.030 4.752 20 0 JJADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Oc4cccc(Br)c4)cc3)CC2)c1 ZINC001461893324 1067955931 /nfs/dbraw/zinc/95/59/31/1067955931.db2.gz SHDKPGKLZNEEKN-UHFFFAOYSA-N 2 2 454.368 4.967 20 0 JJADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)cc1 ZINC001164674017 719526622 /nfs/dbraw/zinc/52/66/22/719526622.db2.gz YWCAOXUGSQJWOF-UHFFFAOYSA-N 2 2 460.597 4.846 20 0 JJADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)cc1 ZINC001164674017 719526632 /nfs/dbraw/zinc/52/66/32/719526632.db2.gz YWCAOXUGSQJWOF-UHFFFAOYSA-N 2 2 460.597 4.846 20 0 JJADLP Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684205 719669090 /nfs/dbraw/zinc/66/90/90/719669090.db2.gz SNNNHAICDNPLJO-JOCHJYFZSA-N 2 2 456.634 4.637 20 0 JJADLP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC001165036241 721918150 /nfs/dbraw/zinc/91/81/50/721918150.db2.gz AUCLUSDBUPWVQV-QFIPXVFZSA-N 2 2 477.678 4.645 20 0 JJADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165043752 721939913 /nfs/dbraw/zinc/93/99/13/721939913.db2.gz FOQZLSOSTMEJCX-UHFFFAOYSA-N 2 2 471.008 4.563 20 0 JJADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165043752 721939916 /nfs/dbraw/zinc/93/99/16/721939916.db2.gz FOQZLSOSTMEJCX-UHFFFAOYSA-N 2 2 471.008 4.563 20 0 JJADLP CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360094569 1064965921 /nfs/dbraw/zinc/96/59/21/1064965921.db2.gz DWXKXOIPBHECRR-QHCPKHFHSA-N 2 2 474.644 4.683 20 0 JJADLP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360094569 1064965931 /nfs/dbraw/zinc/96/59/31/1064965931.db2.gz DWXKXOIPBHECRR-QHCPKHFHSA-N 2 2 474.644 4.683 20 0 JJADLP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001442983673 1066249881 /nfs/dbraw/zinc/24/98/81/1066249881.db2.gz AFDQLMMYYQWVME-AREMUKBSSA-N 2 2 454.058 4.942 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456007 1066392630 /nfs/dbraw/zinc/39/26/30/1066392630.db2.gz MXPNIBSDIOBXKJ-RPWUZVMVSA-N 2 2 459.556 4.578 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456007 1066392642 /nfs/dbraw/zinc/39/26/42/1066392642.db2.gz MXPNIBSDIOBXKJ-RPWUZVMVSA-N 2 2 459.556 4.578 20 0 JJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585798 1066724151 /nfs/dbraw/zinc/72/41/51/1066724151.db2.gz RABJHFIPOAHHLX-ZEQRLZLVSA-N 2 2 452.549 4.515 20 0 JJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585798 1066724160 /nfs/dbraw/zinc/72/41/60/1066724160.db2.gz RABJHFIPOAHHLX-ZEQRLZLVSA-N 2 2 452.549 4.515 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447304897 1066790105 /nfs/dbraw/zinc/79/01/05/1066790105.db2.gz GSUACKMUXNPNPG-DNRSQYFGSA-N 2 2 450.671 4.701 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447304897 1066790109 /nfs/dbraw/zinc/79/01/09/1066790109.db2.gz GSUACKMUXNPNPG-DNRSQYFGSA-N 2 2 450.671 4.701 20 0 JJADLP CC1(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001457266441 1066799671 /nfs/dbraw/zinc/79/96/71/1066799671.db2.gz JNWPONRCMYREKO-UHFFFAOYSA-N 2 2 451.014 4.546 20 0 JJADLP CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001545804813 1067116863 /nfs/dbraw/zinc/11/68/63/1067116863.db2.gz BWTBEDIBODPYBQ-HSZRJFAPSA-N 2 2 461.098 4.744 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879138 1067184398 /nfs/dbraw/zinc/18/43/98/1067184398.db2.gz RGBDSCLDWTVIAK-DQEYMECFSA-N 2 2 459.675 4.673 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879138 1067184402 /nfs/dbraw/zinc/18/44/02/1067184402.db2.gz RGBDSCLDWTVIAK-DQEYMECFSA-N 2 2 459.675 4.673 20 0 JJADLP CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458881058 1067184940 /nfs/dbraw/zinc/18/49/40/1067184940.db2.gz UUCAJXTWYBJUHE-VSYWRSJOSA-N 2 2 450.042 4.768 20 0 JJADLP CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458881058 1067184947 /nfs/dbraw/zinc/18/49/47/1067184947.db2.gz UUCAJXTWYBJUHE-VSYWRSJOSA-N 2 2 450.042 4.768 20 0 JJADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931353 1067496420 /nfs/dbraw/zinc/49/64/20/1067496420.db2.gz JEBCNNOEUHXQJA-AREMUKBSSA-N 2 2 451.014 4.935 20 0 JJADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931357 1067496513 /nfs/dbraw/zinc/49/65/13/1067496513.db2.gz JEBCNNOEUHXQJA-SANMLTNESA-N 2 2 451.014 4.935 20 0 JJADLP Fc1cccc(C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119929 1067785332 /nfs/dbraw/zinc/78/53/32/1067785332.db2.gz ITEKMQGLDWILDV-HHHXNRCGSA-N 2 2 452.545 4.749 20 0 JJADLP COc1ccc(Br)c(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001461181923 1067794283 /nfs/dbraw/zinc/79/42/83/1067794283.db2.gz ALFXQRZKHURLTD-UHFFFAOYSA-N 2 2 450.764 4.676 20 0 JJADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC001462245801 1068036977 /nfs/dbraw/zinc/03/69/77/1068036977.db2.gz FQFLFKOBZATVKK-SFHVURJKSA-N 2 2 457.018 4.578 20 0 JJADLP O=C([C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463825471 1068536953 /nfs/dbraw/zinc/53/69/53/1068536953.db2.gz GYHRSHMPRUSLOM-MUUNZHRXSA-N 2 2 459.609 4.761 20 0 JJADLP O=C([C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463825471 1068536968 /nfs/dbraw/zinc/53/69/68/1068536968.db2.gz GYHRSHMPRUSLOM-MUUNZHRXSA-N 2 2 459.609 4.761 20 0 JJADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C ZINC001464612164 1068798703 /nfs/dbraw/zinc/79/87/03/1068798703.db2.gz OIVNJZBVCQFXOJ-BJKOFHAPSA-N 2 2 464.009 4.892 20 0 JJADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C ZINC001464612164 1068798712 /nfs/dbraw/zinc/79/87/12/1068798712.db2.gz OIVNJZBVCQFXOJ-BJKOFHAPSA-N 2 2 464.009 4.892 20 0 JJADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531411 /nfs/dbraw/zinc/53/14/11/719531411.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 2 2 452.618 4.639 20 0 JJADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531418 /nfs/dbraw/zinc/53/14/18/719531418.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 2 2 452.618 4.639 20 0 JJADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531424 /nfs/dbraw/zinc/53/14/24/719531424.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 2 2 452.618 4.639 20 0 JJADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531432 /nfs/dbraw/zinc/53/14/32/719531432.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 2 2 452.618 4.639 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735096 720464734 /nfs/dbraw/zinc/46/47/34/720464734.db2.gz VYEUMVXRBBRGKS-XZOQPEGZSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735096 720464738 /nfs/dbraw/zinc/46/47/38/720464738.db2.gz VYEUMVXRBBRGKS-XZOQPEGZSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC001164733967 720523919 /nfs/dbraw/zinc/52/39/19/720523919.db2.gz NKFRXIRNBAXOJC-FQEVSTJZSA-N 2 2 481.579 4.621 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757862 720896633 /nfs/dbraw/zinc/89/66/33/720896633.db2.gz VXSYVWXJFSFVSD-PWUYWRBVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757862 720896634 /nfs/dbraw/zinc/89/66/34/720896634.db2.gz VXSYVWXJFSFVSD-PWUYWRBVSA-N 2 2 472.633 4.702 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164754658 720938046 /nfs/dbraw/zinc/93/80/46/720938046.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164754658 720938056 /nfs/dbraw/zinc/93/80/56/720938056.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754658 720938075 /nfs/dbraw/zinc/93/80/75/720938075.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754658 720938085 /nfs/dbraw/zinc/93/80/85/720938085.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 2 2 455.046 4.616 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857155 721002755 /nfs/dbraw/zinc/00/27/55/721002755.db2.gz CNCAYEOCAGGRBL-OAQYLSRUSA-N 2 2 457.626 4.714 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857155 721002763 /nfs/dbraw/zinc/00/27/63/721002763.db2.gz CNCAYEOCAGGRBL-OAQYLSRUSA-N 2 2 457.626 4.714 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c2C)cc1 ZINC001164904247 721721642 /nfs/dbraw/zinc/72/16/42/721721642.db2.gz AUWXUEUYWZMUQX-MHZLTWQESA-N 2 2 492.570 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c2C)cc1 ZINC001164904247 721721646 /nfs/dbraw/zinc/72/16/46/721721646.db2.gz AUWXUEUYWZMUQX-MHZLTWQESA-N 2 2 492.570 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2C)cc1 ZINC001165030539 721822120 /nfs/dbraw/zinc/82/21/20/721822120.db2.gz ZRNMBAMAHNARFF-RNJDCESWSA-N 2 2 470.617 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2C)cc1 ZINC001165030539 721822122 /nfs/dbraw/zinc/82/21/22/721822122.db2.gz ZRNMBAMAHNARFF-RNJDCESWSA-N 2 2 470.617 4.976 20 0 JJADLP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c23)c1 ZINC001165039247 721918236 /nfs/dbraw/zinc/91/82/36/721918236.db2.gz RYWPIXWMDNSOPE-IBGZPJMESA-N 2 2 483.707 4.707 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864872 1065032173 /nfs/dbraw/zinc/03/21/73/1065032173.db2.gz GWPITCHMPOMTIS-DHIUTWEWSA-N 2 2 454.684 4.836 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864872 1065032187 /nfs/dbraw/zinc/03/21/87/1065032187.db2.gz GWPITCHMPOMTIS-DHIUTWEWSA-N 2 2 454.684 4.836 20 0 JJADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659389 1066148138 /nfs/dbraw/zinc/14/81/38/1066148138.db2.gz CODNWLLQCNGVRC-XMMPIXPASA-N 2 2 458.071 4.848 20 0 JJADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649890 1066314422 /nfs/dbraw/zinc/31/44/22/1066314422.db2.gz NSRYNFFSKFCEEF-HSZRJFAPSA-N 2 2 454.546 4.584 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455455998 1066392441 /nfs/dbraw/zinc/39/24/41/1066392441.db2.gz MXPNIBSDIOBXKJ-BJKOFHAPSA-N 2 2 459.556 4.578 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455455998 1066392459 /nfs/dbraw/zinc/39/24/59/1066392459.db2.gz MXPNIBSDIOBXKJ-BJKOFHAPSA-N 2 2 459.556 4.578 20 0 JJADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001444346087 1066452626 /nfs/dbraw/zinc/45/26/26/1066452626.db2.gz KEERYUCDKMDYEH-NRFANRHFSA-N 2 2 455.668 4.522 20 0 JJADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001444346087 1066452629 /nfs/dbraw/zinc/45/26/29/1066452629.db2.gz KEERYUCDKMDYEH-NRFANRHFSA-N 2 2 455.668 4.522 20 0 JJADLP C[NH+](C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176400 1066494646 /nfs/dbraw/zinc/49/46/46/1066494646.db2.gz MZCMGPUUVJDHCR-XMMPIXPASA-N 2 2 457.018 4.786 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879149 1067184420 /nfs/dbraw/zinc/18/44/20/1067184420.db2.gz RGBDSCLDWTVIAK-JWQCQUIFSA-N 2 2 459.675 4.673 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879149 1067184421 /nfs/dbraw/zinc/18/44/21/1067184421.db2.gz RGBDSCLDWTVIAK-JWQCQUIFSA-N 2 2 459.675 4.673 20 0 JJADLP CN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458881049 1067184859 /nfs/dbraw/zinc/18/48/59/1067184859.db2.gz UUCAJXTWYBJUHE-MHHVOYGZSA-N 2 2 450.042 4.768 20 0 JJADLP CN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458881049 1067184868 /nfs/dbraw/zinc/18/48/68/1067184868.db2.gz UUCAJXTWYBJUHE-MHHVOYGZSA-N 2 2 450.042 4.768 20 0 JJADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCc4ccc(Cl)cc4[C@@H](C)C3)CC2)cc1 ZINC001460335573 1067611026 /nfs/dbraw/zinc/61/10/26/1067611026.db2.gz HFZALTGLQREITP-NRFANRHFSA-N 2 2 454.058 4.769 20 0 JJADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCc4ccc(Cl)cc4[C@@H](C)C3)CC2)cc1 ZINC001460335573 1067611029 /nfs/dbraw/zinc/61/10/29/1067611029.db2.gz HFZALTGLQREITP-NRFANRHFSA-N 2 2 454.058 4.769 20 0 JJADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356854 1067616488 /nfs/dbraw/zinc/61/64/88/1067616488.db2.gz RWUMKSZJGQEJKU-GOTSBHOMSA-N 2 2 458.606 4.611 20 0 JJADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH+]c1C ZINC001460784561 1067722952 /nfs/dbraw/zinc/72/29/52/1067722952.db2.gz FXVSMPHVAFXQLU-KRWDZBQOSA-N 2 2 451.596 4.547 20 0 JJADLP CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC001460851432 1067734697 /nfs/dbraw/zinc/73/46/97/1067734697.db2.gz VEAZFDXEWCTNPT-DEOSSOPVSA-N 2 2 457.659 4.568 20 0 JJADLP CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC001460851432 1067734702 /nfs/dbraw/zinc/73/47/02/1067734702.db2.gz VEAZFDXEWCTNPT-DEOSSOPVSA-N 2 2 457.659 4.568 20 0 JJADLP C[C@@]1([NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876654 1067740508 /nfs/dbraw/zinc/74/05/08/1067740508.db2.gz XDRWTXPBMMUULE-WUFINQPMSA-N 2 2 478.658 4.507 20 0 JJADLP C[C@@]1([NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876654 1067740514 /nfs/dbraw/zinc/74/05/14/1067740514.db2.gz XDRWTXPBMMUULE-WUFINQPMSA-N 2 2 478.658 4.507 20 0 JJADLP CCOCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001461132875 1067787564 /nfs/dbraw/zinc/78/75/64/1067787564.db2.gz SCWRKNJRFMSWJS-UHFFFAOYSA-N 2 2 453.465 4.999 20 0 JJADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(OC(F)F)ccc3Br)CC2)cc1 ZINC001461242771 1067808111 /nfs/dbraw/zinc/80/81/11/1067808111.db2.gz RFRQJVSDFJPYBU-UHFFFAOYSA-N 2 2 454.359 4.875 20 0 JJADLP CC(C)c1[nH+]c(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c[nH+]2)c2ccccn21 ZINC001461306986 1067824781 /nfs/dbraw/zinc/82/47/81/1067824781.db2.gz ITEJNJVIDNZIJM-UHFFFAOYSA-N 2 2 450.587 4.522 20 0 JJADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863002 1067949719 /nfs/dbraw/zinc/94/97/19/1067949719.db2.gz AFAIKXWHMPKGLU-LEWJYISDSA-N 2 2 454.615 4.618 20 0 JJADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863004 1067949776 /nfs/dbraw/zinc/94/97/76/1067949776.db2.gz AFAIKXWHMPKGLU-RTWAWAEBSA-N 2 2 454.615 4.618 20 0 JJADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC[C@@H]21 ZINC001462175890 1068022320 /nfs/dbraw/zinc/02/23/20/1068022320.db2.gz FFBDBDSOIUBPIK-IUDHNKCCSA-N 2 2 459.597 4.950 20 0 JJADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(F)c3Br)CC2)c1C ZINC001462198776 1068027289 /nfs/dbraw/zinc/02/72/89/1068027289.db2.gz FUCMGESUDNTGNC-UHFFFAOYSA-N 2 2 450.396 4.705 20 0 JJADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(F)c3Br)CC2)c1C ZINC001462198776 1068027300 /nfs/dbraw/zinc/02/73/00/1068027300.db2.gz FUCMGESUDNTGNC-UHFFFAOYSA-N 2 2 450.396 4.705 20 0 JJADLP CCc1ccccc1Oc1ccc(Cl)cc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001462208644 1068029406 /nfs/dbraw/zinc/02/94/06/1068029406.db2.gz CQBOASNGZBJQGV-UHFFFAOYSA-N 2 2 456.030 4.681 20 0 JJADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC001462245799 1068036919 /nfs/dbraw/zinc/03/69/19/1068036919.db2.gz FQFLFKOBZATVKK-GOSISDBHSA-N 2 2 457.018 4.578 20 0 JJADLP Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c2ccccc12 ZINC001164684510 719666700 /nfs/dbraw/zinc/66/67/00/719666700.db2.gz UKDKZYSAHAMZBN-JOCHJYFZSA-N 2 2 456.634 4.637 20 0 JJADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164695063 719830649 /nfs/dbraw/zinc/83/06/49/719830649.db2.gz ATFXVYLGJNMJOC-XMMPIXPASA-N 2 2 484.648 4.533 20 0 JJADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164695063 719830651 /nfs/dbraw/zinc/83/06/51/719830651.db2.gz ATFXVYLGJNMJOC-XMMPIXPASA-N 2 2 484.648 4.533 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732423 720439383 /nfs/dbraw/zinc/43/93/83/720439383.db2.gz NHMOEJSFVWQWNN-FCHUYYIVSA-N 2 2 462.667 4.542 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732423 720439385 /nfs/dbraw/zinc/43/93/85/720439385.db2.gz NHMOEJSFVWQWNN-FCHUYYIVSA-N 2 2 462.667 4.542 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840262 720605117 /nfs/dbraw/zinc/60/51/17/720605117.db2.gz POQBGAIMDIIBHP-UODIDJSMSA-N 2 2 483.664 4.671 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840262 720605126 /nfs/dbraw/zinc/60/51/26/720605126.db2.gz POQBGAIMDIIBHP-UODIDJSMSA-N 2 2 483.664 4.671 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c2C)cc1 ZINC001164904238 721722177 /nfs/dbraw/zinc/72/21/77/721722177.db2.gz AUWXUEUYWZMUQX-HHHXNRCGSA-N 2 2 492.570 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c2C)cc1 ZINC001164904238 721722179 /nfs/dbraw/zinc/72/21/79/721722179.db2.gz AUWXUEUYWZMUQX-HHHXNRCGSA-N 2 2 492.570 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2C)cc1 ZINC001165030541 721822205 /nfs/dbraw/zinc/82/22/05/721822205.db2.gz ZRNMBAMAHNARFF-YGPDHOBYSA-N 2 2 470.617 4.976 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2C)cc1 ZINC001165030541 721822208 /nfs/dbraw/zinc/82/22/08/721822208.db2.gz ZRNMBAMAHNARFF-YGPDHOBYSA-N 2 2 470.617 4.976 20 0 JJADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)o1 ZINC001442238317 1066106563 /nfs/dbraw/zinc/10/65/63/1066106563.db2.gz YYVUABRRQREESM-UHFFFAOYSA-N 2 2 452.986 4.569 20 0 JJADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246420 1066107804 /nfs/dbraw/zinc/10/78/04/1066107804.db2.gz OKGOVBRFTZYNEV-VWLOTQADSA-N 2 2 455.046 4.865 20 0 JJADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246420 1066107807 /nfs/dbraw/zinc/10/78/07/1066107807.db2.gz OKGOVBRFTZYNEV-VWLOTQADSA-N 2 2 455.046 4.865 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461287 1066393664 /nfs/dbraw/zinc/39/36/64/1066393664.db2.gz CNHKUDLJUTZEDM-AJTFRIOCSA-N 2 2 451.630 4.764 20 0 JJADLP C[NH+](C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176399 1066494622 /nfs/dbraw/zinc/49/46/22/1066494622.db2.gz MZCMGPUUVJDHCR-DEOSSOPVSA-N 2 2 457.018 4.786 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447304912 1066789833 /nfs/dbraw/zinc/78/98/33/1066789833.db2.gz GSUACKMUXNPNPG-RZFJZAQRSA-N 2 2 450.671 4.701 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447304912 1066789849 /nfs/dbraw/zinc/78/98/49/1066789849.db2.gz GSUACKMUXNPNPG-RZFJZAQRSA-N 2 2 450.671 4.701 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447304904 1066789895 /nfs/dbraw/zinc/78/98/95/1066789895.db2.gz GSUACKMUXNPNPG-RCXJIHSJSA-N 2 2 450.671 4.701 20 0 JJADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447304904 1066789903 /nfs/dbraw/zinc/78/99/03/1066789903.db2.gz GSUACKMUXNPNPG-RCXJIHSJSA-N 2 2 450.671 4.701 20 0 JJADLP CC[C@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001451028387 1067140711 /nfs/dbraw/zinc/14/07/11/1067140711.db2.gz FVYBKKLXZZKCKX-PFBJBMPXSA-N 2 2 455.687 4.559 20 0 JJADLP CC[C@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001451028387 1067140716 /nfs/dbraw/zinc/14/07/16/1067140716.db2.gz FVYBKKLXZZKCKX-PFBJBMPXSA-N 2 2 455.687 4.559 20 0 JJADLP Brc1ccc(C[N@@H+](CCc2ccccc2Br)CCn2cc[nH+]c2)o1 ZINC001460086330 1067550431 /nfs/dbraw/zinc/55/04/31/1067550431.db2.gz NRPMCUBGYGODLE-UHFFFAOYSA-N 2 2 453.178 4.746 20 0 JJADLP Brc1ccc(C[N@H+](CCc2ccccc2Br)CCn2cc[nH+]c2)o1 ZINC001460086330 1067550434 /nfs/dbraw/zinc/55/04/34/1067550434.db2.gz NRPMCUBGYGODLE-UHFFFAOYSA-N 2 2 453.178 4.746 20 0 JJADLP CC(C)(C)OC(=O)CC1([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001460312712 1067605446 /nfs/dbraw/zinc/60/54/46/1067605446.db2.gz ZBVOPPJRDLVDGA-UHFFFAOYSA-N 2 2 450.067 4.876 20 0 JJADLP C[N@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555509 1067655287 /nfs/dbraw/zinc/65/52/87/1067655287.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 2 2 452.545 4.613 20 0 JJADLP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555509 1067655294 /nfs/dbraw/zinc/65/52/94/1067655294.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 2 2 452.545 4.613 20 0 JJADLP C[NH+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555509 1067655298 /nfs/dbraw/zinc/65/52/98/1067655298.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 2 2 452.545 4.613 20 0 JJADLP C[NH+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555509 1067655303 /nfs/dbraw/zinc/65/53/03/1067655303.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 2 2 452.545 4.613 20 0 JJADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001460708674 1067705725 /nfs/dbraw/zinc/70/57/25/1067705725.db2.gz MGXSYYDGYUREGU-GOSISDBHSA-N 2 2 459.856 4.573 20 0 JJADLP CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001460854265 1067735233 /nfs/dbraw/zinc/73/52/33/1067735233.db2.gz BVDXMSAWTWFMAB-DEOSSOPVSA-N 2 2 459.675 4.540 20 0 JJADLP CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001460854265 1067735238 /nfs/dbraw/zinc/73/52/38/1067735238.db2.gz BVDXMSAWTWFMAB-DEOSSOPVSA-N 2 2 459.675 4.540 20 0 JJADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048528 1067769316 /nfs/dbraw/zinc/76/93/16/1067769316.db2.gz KTFNTCXKKBAXAK-RTBURBONSA-N 3 2 459.581 4.837 20 0 JJADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc4c3N(C(=O)OC(C)(C)C)CC4)[nH+]c2)CC1 ZINC001461323731 1067828034 /nfs/dbraw/zinc/82/80/34/1067828034.db2.gz NKLYVVXKUPCELZ-UHFFFAOYSA-N 2 2 451.615 4.522 20 0 JJADLP CC(C)[NH+]1CCN(c2cccc(NCc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)c2)CC1 ZINC001461407809 1067848131 /nfs/dbraw/zinc/84/81/31/1067848131.db2.gz RGSCOGHRFMHNGG-UHFFFAOYSA-N 2 2 454.018 4.758 20 0 JJADLP O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C[N@@H+]1CCc2ccccc2C1 ZINC001461524291 1067880976 /nfs/dbraw/zinc/88/09/76/1067880976.db2.gz XOSILQBIQWOUBV-OAQYLSRUSA-N 2 2 457.437 4.686 20 0 JJADLP O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C[N@H+]1CCc2ccccc2C1 ZINC001461524291 1067880992 /nfs/dbraw/zinc/88/09/92/1067880992.db2.gz XOSILQBIQWOUBV-OAQYLSRUSA-N 2 2 457.437 4.686 20 0 JJADLP COc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461608854 1067900867 /nfs/dbraw/zinc/90/08/67/1067900867.db2.gz BVYXSEOMRJKZPT-UHFFFAOYSA-N 2 2 453.410 4.517 20 0 JJADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612813 1067901881 /nfs/dbraw/zinc/90/18/81/1067901881.db2.gz LTRCXBGZHQUURU-NFBKMPQASA-N 2 2 456.030 4.752 20 0 JJADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899088 1067957560 /nfs/dbraw/zinc/95/75/60/1067957560.db2.gz NMBSULOUZJFAKQ-XZOQPEGZSA-N 2 2 459.675 4.782 20 0 JJADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899088 1067957563 /nfs/dbraw/zinc/95/75/63/1067957563.db2.gz NMBSULOUZJFAKQ-XZOQPEGZSA-N 2 2 459.675 4.782 20 0 JJADLP CC[N@H+](Cc1cc(Br)cnc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461985807 1067975322 /nfs/dbraw/zinc/97/53/22/1067975322.db2.gz GLJRCKDQDSQTFD-UHFFFAOYSA-N 2 2 450.400 4.696 20 0 JJADLP CC[N@@H+](Cc1cc(Br)cnc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461985807 1067975326 /nfs/dbraw/zinc/97/53/26/1067975326.db2.gz GLJRCKDQDSQTFD-UHFFFAOYSA-N 2 2 450.400 4.696 20 0 JJADLP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cc(F)cc(F)c1 ZINC001462575998 1068102368 /nfs/dbraw/zinc/10/23/68/1068102368.db2.gz IQEUUQPSBVKZSP-LJQANCHMSA-N 2 2 459.581 4.911 20 0 JJADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001464199265 1068653556 /nfs/dbraw/zinc/65/35/56/1068653556.db2.gz LUZYTJHKKZWFQJ-QHCPKHFHSA-N 2 2 458.444 4.743 20 0 JJADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001464199265 1068653564 /nfs/dbraw/zinc/65/35/64/1068653564.db2.gz LUZYTJHKKZWFQJ-QHCPKHFHSA-N 2 2 458.444 4.743 20 0 JJADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420308 718891018 /nfs/dbraw/zinc/89/10/18/718891018.db2.gz TZAIITGWYOQOIL-QUCCMNQESA-N 2 2 470.415 4.617 20 0 JJADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420308 718891020 /nfs/dbraw/zinc/89/10/20/718891020.db2.gz TZAIITGWYOQOIL-QUCCMNQESA-N 2 2 470.415 4.617 20 0 JJADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420274 718891218 /nfs/dbraw/zinc/89/12/18/718891218.db2.gz TZAIITGWYOQOIL-AZUAARDMSA-N 2 2 470.415 4.617 20 0 JJADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1 ZINC001164420274 718891220 /nfs/dbraw/zinc/89/12/20/718891220.db2.gz TZAIITGWYOQOIL-AZUAARDMSA-N 2 2 470.415 4.617 20 0 JJADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1C ZINC001164416226 718893010 /nfs/dbraw/zinc/89/30/10/718893010.db2.gz CDWAQKUKCXAWKZ-HXUWFJFHSA-N 2 2 485.698 4.521 20 0 JJADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH+]ccc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680037 719664461 /nfs/dbraw/zinc/66/44/61/719664461.db2.gz CVZDUPKJCBEJQM-NRFANRHFSA-N 2 2 477.052 4.982 20 0 JJADLP CC(C)n1nc(CN(c2nccs2)c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1C[NH2+]CC2 ZINC001164710758 720091545 /nfs/dbraw/zinc/09/15/45/720091545.db2.gz LWQTVJJCDNSMSN-UHFFFAOYSA-N 2 2 472.062 4.549 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735094 720464001 /nfs/dbraw/zinc/46/40/01/720464001.db2.gz VYEUMVXRBBRGKS-GOTSBHOMSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735094 720464008 /nfs/dbraw/zinc/46/40/08/720464008.db2.gz VYEUMVXRBBRGKS-GOTSBHOMSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735095 720465162 /nfs/dbraw/zinc/46/51/62/720465162.db2.gz VYEUMVXRBBRGKS-PKTZIBPZSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735095 720465169 /nfs/dbraw/zinc/46/51/69/720465169.db2.gz VYEUMVXRBBRGKS-PKTZIBPZSA-N 2 2 470.646 4.668 20 0 JJADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1[nH+]cnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164736493 720582068 /nfs/dbraw/zinc/58/20/68/720582068.db2.gz LTIDCGDKPHACSO-UHFFFAOYSA-N 2 2 489.627 4.943 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840255 720604598 /nfs/dbraw/zinc/60/45/98/720604598.db2.gz POQBGAIMDIIBHP-JIMJEQGWSA-N 2 2 483.664 4.671 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840255 720604603 /nfs/dbraw/zinc/60/46/03/720604603.db2.gz POQBGAIMDIIBHP-JIMJEQGWSA-N 2 2 483.664 4.671 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757177 720890420 /nfs/dbraw/zinc/89/04/20/720890420.db2.gz UCLRIZVQUXRIMI-OUTSHDOLSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757177 720890423 /nfs/dbraw/zinc/89/04/23/720890423.db2.gz UCLRIZVQUXRIMI-OUTSHDOLSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757175 720890445 /nfs/dbraw/zinc/89/04/45/720890445.db2.gz UCLRIZVQUXRIMI-FUFSCUOVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757175 720890447 /nfs/dbraw/zinc/89/04/47/720890447.db2.gz UCLRIZVQUXRIMI-FUFSCUOVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749087 720934037 /nfs/dbraw/zinc/93/40/37/720934037.db2.gz HROGDUJBBKXPJQ-LXFBAYGMSA-N 2 2 476.596 4.533 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749087 720934042 /nfs/dbraw/zinc/93/40/42/720934042.db2.gz HROGDUJBBKXPJQ-LXFBAYGMSA-N 2 2 476.596 4.533 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164754655 720937814 /nfs/dbraw/zinc/93/78/14/720937814.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164754655 720937820 /nfs/dbraw/zinc/93/78/20/720937820.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754655 720937828 /nfs/dbraw/zinc/93/78/28/720937828.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754655 720937832 /nfs/dbraw/zinc/93/78/32/720937832.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 2 2 455.046 4.616 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955690 722021899 /nfs/dbraw/zinc/02/18/99/722021899.db2.gz NJASLGPWJZVTLN-UHFFFAOYSA-N 2 2 466.633 4.984 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955690 722021904 /nfs/dbraw/zinc/02/19/04/722021904.db2.gz NJASLGPWJZVTLN-UHFFFAOYSA-N 2 2 466.633 4.984 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359861490 1064552091 /nfs/dbraw/zinc/55/20/91/1064552091.db2.gz XLGPXFAURIOUEY-HSZRJFAPSA-N 2 2 473.109 4.573 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359861490 1064552107 /nfs/dbraw/zinc/55/21/07/1064552107.db2.gz XLGPXFAURIOUEY-HSZRJFAPSA-N 2 2 473.109 4.573 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865655 1065033107 /nfs/dbraw/zinc/03/31/07/1065033107.db2.gz NVQPXGOPUIOYPV-UIOOFZCWSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865655 1065033117 /nfs/dbraw/zinc/03/31/17/1065033117.db2.gz NVQPXGOPUIOYPV-UIOOFZCWSA-N 2 2 451.655 4.794 20 0 JJADLP Cc1c(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521182 1065340935 /nfs/dbraw/zinc/34/09/35/1065340935.db2.gz PDYXMZXQSNAUKT-HSZRJFAPSA-N 2 2 452.002 4.602 20 0 JJADLP Cc1c(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521182 1065340949 /nfs/dbraw/zinc/34/09/49/1065340949.db2.gz PDYXMZXQSNAUKT-HSZRJFAPSA-N 2 2 452.002 4.602 20 0 JJADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C ZINC001444205264 1066429188 /nfs/dbraw/zinc/42/91/88/1066429188.db2.gz KZCHQRFBQZBFBL-UHFFFAOYSA-N 2 2 453.428 4.689 20 0 JJADLP C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)cc1 ZINC001455812548 1066435855 /nfs/dbraw/zinc/43/58/55/1066435855.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 2 2 458.606 4.586 20 0 JJADLP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)cc1 ZINC001455812548 1066435872 /nfs/dbraw/zinc/43/58/72/1066435872.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 2 2 458.606 4.586 20 0 JJADLP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001455812548 1066435885 /nfs/dbraw/zinc/43/58/85/1066435885.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 2 2 458.606 4.586 20 0 JJADLP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001455812548 1066435892 /nfs/dbraw/zinc/43/58/92/1066435892.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 2 2 458.606 4.586 20 0 JJADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001444346088 1066452512 /nfs/dbraw/zinc/45/25/12/1066452512.db2.gz KEERYUCDKMDYEH-OAQYLSRUSA-N 2 2 455.668 4.522 20 0 JJADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001444346088 1066452517 /nfs/dbraw/zinc/45/25/17/1066452517.db2.gz KEERYUCDKMDYEH-OAQYLSRUSA-N 2 2 455.668 4.522 20 0 JJADLP CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545743888 1067010767 /nfs/dbraw/zinc/01/07/67/1067010767.db2.gz SLNYTXSCZGOBSA-XUZZJYLKSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545743888 1067010776 /nfs/dbraw/zinc/01/07/76/1067010776.db2.gz SLNYTXSCZGOBSA-XUZZJYLKSA-N 2 2 475.685 4.574 20 0 JJADLP CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546832 1067089490 /nfs/dbraw/zinc/08/94/90/1067089490.db2.gz RGEBMEPXZIZIHY-DHLKQENFSA-N 2 2 452.643 4.700 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879157 1067184412 /nfs/dbraw/zinc/18/44/12/1067184412.db2.gz RGBDSCLDWTVIAK-LOSJGSFVSA-N 2 2 459.675 4.673 20 0 JJADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC)c1 ZINC001458879157 1067184416 /nfs/dbraw/zinc/18/44/16/1067184416.db2.gz RGBDSCLDWTVIAK-LOSJGSFVSA-N 2 2 459.675 4.673 20 0 JJADLP CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458881041 1067184832 /nfs/dbraw/zinc/18/48/32/1067184832.db2.gz UUCAJXTWYBJUHE-LPHRJVMESA-N 2 2 450.042 4.768 20 0 JJADLP CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458881041 1067184839 /nfs/dbraw/zinc/18/48/39/1067184839.db2.gz UUCAJXTWYBJUHE-LPHRJVMESA-N 2 2 450.042 4.768 20 0 JJADLP CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460172935 1067570231 /nfs/dbraw/zinc/57/02/31/1067570231.db2.gz UMZAZPMNWSNNBZ-HHHXNRCGSA-N 2 2 456.074 4.905 20 0 JJADLP CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460172935 1067570236 /nfs/dbraw/zinc/57/02/36/1067570236.db2.gz UMZAZPMNWSNNBZ-HHHXNRCGSA-N 2 2 456.074 4.905 20 0 JJADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689244 1067702460 /nfs/dbraw/zinc/70/24/60/1067702460.db2.gz HJTVBRWWYKBAKS-GOSISDBHSA-N 2 2 456.390 4.890 20 0 JJADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH+]c1C ZINC001460784564 1067722921 /nfs/dbraw/zinc/72/29/21/1067722921.db2.gz FXVSMPHVAFXQLU-QGZVFWFLSA-N 2 2 451.596 4.547 20 0 JJADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001461360129 1067838537 /nfs/dbraw/zinc/83/85/37/1067838537.db2.gz UYNJKKIKYBGCQL-HXUWFJFHSA-N 2 2 459.425 4.694 20 0 JJADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001461373268 1067841064 /nfs/dbraw/zinc/84/10/64/1067841064.db2.gz QSOZCJKBSXEWSR-SFHVURJKSA-N 2 2 454.416 4.653 20 0 JJADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC001461753898 1067930960 /nfs/dbraw/zinc/93/09/60/1067930960.db2.gz MHIAQTTZVRBIIJ-PLNGDYQASA-N 2 2 457.565 4.821 20 0 JJADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055998 1067992470 /nfs/dbraw/zinc/99/24/70/1067992470.db2.gz SLSPRIQWERFDCJ-QHCPKHFHSA-N 2 2 456.428 4.507 20 0 JJADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055995 1067992624 /nfs/dbraw/zinc/99/26/24/1067992624.db2.gz SLSPRIQWERFDCJ-HSZRJFAPSA-N 2 2 456.428 4.507 20 0 JJADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1C ZINC001164416223 718892953 /nfs/dbraw/zinc/89/29/53/718892953.db2.gz CDWAQKUKCXAWKZ-FQEVSTJZSA-N 2 2 485.698 4.521 20 0 JJADLP C[NH+]1CCN(c2cccc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)[nH+]2)CC1 ZINC001164622435 719130214 /nfs/dbraw/zinc/13/02/14/719130214.db2.gz OTUFMFUCKICERT-MHZLTWQESA-N 2 2 478.040 4.657 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735093 720464443 /nfs/dbraw/zinc/46/44/43/720464443.db2.gz VYEUMVXRBBRGKS-DHIUTWEWSA-N 2 2 470.646 4.668 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735093 720464448 /nfs/dbraw/zinc/46/44/48/720464448.db2.gz VYEUMVXRBBRGKS-DHIUTWEWSA-N 2 2 470.646 4.668 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840257 720605186 /nfs/dbraw/zinc/60/51/86/720605186.db2.gz POQBGAIMDIIBHP-KKUQBAQOSA-N 2 2 483.664 4.671 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840257 720605198 /nfs/dbraw/zinc/60/51/98/720605198.db2.gz POQBGAIMDIIBHP-KKUQBAQOSA-N 2 2 483.664 4.671 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757178 720890508 /nfs/dbraw/zinc/89/05/08/720890508.db2.gz UCLRIZVQUXRIMI-PWUYWRBVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757178 720890509 /nfs/dbraw/zinc/89/05/09/720890509.db2.gz UCLRIZVQUXRIMI-PWUYWRBVSA-N 2 2 472.633 4.702 20 0 JJADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753198 720904923 /nfs/dbraw/zinc/90/49/23/720904923.db2.gz QUIWQLMOZAQXMI-WNJJXGMVSA-N 2 2 475.681 4.983 20 0 JJADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753198 720904934 /nfs/dbraw/zinc/90/49/34/720904934.db2.gz QUIWQLMOZAQXMI-WNJJXGMVSA-N 2 2 475.681 4.983 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749089 720934718 /nfs/dbraw/zinc/93/47/18/720934718.db2.gz HROGDUJBBKXPJQ-NEKDWFFYSA-N 2 2 476.596 4.533 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749089 720934727 /nfs/dbraw/zinc/93/47/27/720934727.db2.gz HROGDUJBBKXPJQ-NEKDWFFYSA-N 2 2 476.596 4.533 20 0 JJADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)[nH+]c(C)n3)C2)C1 ZINC001164781619 721364272 /nfs/dbraw/zinc/36/42/72/721364272.db2.gz KBYYXASPIYEQPC-SANMLTNESA-N 2 2 453.631 4.557 20 0 JJADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)[nH+]c(C)n3)C2)C1 ZINC001164781619 721364276 /nfs/dbraw/zinc/36/42/76/721364276.db2.gz KBYYXASPIYEQPC-SANMLTNESA-N 2 2 453.631 4.557 20 0 JJADLP c1cc(-c2ccc3c(C4CN(c5ncnc6c5CC[N@@H+](Cc5ccccc5)C6)C4)[nH+]cn3c2)co1 ZINC001165013961 721767763 /nfs/dbraw/zinc/76/77/63/721767763.db2.gz BVCMYOZMKNRFCY-UHFFFAOYSA-N 2 2 462.557 4.546 20 0 JJADLP c1cc(-c2ccc3c(C4CN(c5ncnc6c5CC[N@H+](Cc5ccccc5)C6)C4)[nH+]cn3c2)co1 ZINC001165013961 721767765 /nfs/dbraw/zinc/76/77/65/721767765.db2.gz BVCMYOZMKNRFCY-UHFFFAOYSA-N 2 2 462.557 4.546 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359861480 1064551923 /nfs/dbraw/zinc/55/19/23/1064551923.db2.gz XAQZXNRSWFNJHG-UHFFFAOYSA-N 2 2 473.109 4.717 20 0 JJADLP CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360094568 1064965829 /nfs/dbraw/zinc/96/58/29/1064965829.db2.gz DWXKXOIPBHECRR-HSZRJFAPSA-N 2 2 474.644 4.683 20 0 JJADLP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360094568 1064965846 /nfs/dbraw/zinc/96/58/46/1064965846.db2.gz DWXKXOIPBHECRR-HSZRJFAPSA-N 2 2 474.644 4.683 20 0 JJADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864911 1065032113 /nfs/dbraw/zinc/03/21/13/1065032113.db2.gz HFMANNVQIJBEMC-JWQCQUIFSA-N 2 2 459.675 4.529 20 0 JJADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864911 1065032126 /nfs/dbraw/zinc/03/21/26/1065032126.db2.gz HFMANNVQIJBEMC-JWQCQUIFSA-N 2 2 459.675 4.529 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865433 1065032983 /nfs/dbraw/zinc/03/29/83/1065032983.db2.gz MJDZDYGIRDCFGK-RPBOFIJWSA-N 2 2 455.046 4.811 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865433 1065032990 /nfs/dbraw/zinc/03/29/90/1065032990.db2.gz MJDZDYGIRDCFGK-RPBOFIJWSA-N 2 2 455.046 4.811 20 0 JJADLP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC001438334773 1065711509 /nfs/dbraw/zinc/71/15/09/1065711509.db2.gz MUKRLEFAZVMPBQ-VJGNERBWSA-N 2 2 478.036 4.736 20 0 JJADLP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC001438334773 1065711521 /nfs/dbraw/zinc/71/15/21/1065711521.db2.gz MUKRLEFAZVMPBQ-VJGNERBWSA-N 2 2 478.036 4.736 20 0 JJADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246416 1066107886 /nfs/dbraw/zinc/10/78/86/1066107886.db2.gz OKGOVBRFTZYNEV-RUZDIDTESA-N 2 2 455.046 4.865 20 0 JJADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2Cl)CC1 ZINC001442246416 1066107891 /nfs/dbraw/zinc/10/78/91/1066107891.db2.gz OKGOVBRFTZYNEV-RUZDIDTESA-N 2 2 455.046 4.865 20 0 JJADLP CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443781888 1066367136 /nfs/dbraw/zinc/36/71/36/1066367136.db2.gz RWPTZYDMRFKINO-JOCHJYFZSA-N 2 2 457.703 4.547 20 0 JJADLP CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443781888 1066367149 /nfs/dbraw/zinc/36/71/49/1066367149.db2.gz RWPTZYDMRFKINO-JOCHJYFZSA-N 2 2 457.703 4.547 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461367 1066393526 /nfs/dbraw/zinc/39/35/26/1066393526.db2.gz CNHKUDLJUTZEDM-WXVAWEFUSA-N 2 2 451.630 4.764 20 0 JJADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001444461716 1066463286 /nfs/dbraw/zinc/46/32/86/1066463286.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 2 2 451.998 4.846 20 0 JJADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001444461716 1066463290 /nfs/dbraw/zinc/46/32/90/1066463290.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 2 2 451.998 4.846 20 0 JJADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001444461716 1066463296 /nfs/dbraw/zinc/46/32/96/1066463296.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 2 2 451.998 4.846 20 0 JJADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001444461716 1066463300 /nfs/dbraw/zinc/46/33/00/1066463300.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 2 2 451.998 4.846 20 0 JJADLP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001545804814 1067116997 /nfs/dbraw/zinc/11/69/97/1067116997.db2.gz BWTBEDIBODPYBQ-QHCPKHFHSA-N 2 2 461.098 4.744 20 0 JJADLP CC(C)(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400445 1067313670 /nfs/dbraw/zinc/31/36/70/1067313670.db2.gz RKPAZUFKYVQFAG-VWLOTQADSA-N 2 2 454.058 4.949 20 0 JJADLP CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400445 1067313684 /nfs/dbraw/zinc/31/36/84/1067313684.db2.gz RKPAZUFKYVQFAG-VWLOTQADSA-N 2 2 454.058 4.949 20 0 JJADLP COc1ccc(N=c2scc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948637 1067503584 /nfs/dbraw/zinc/50/35/84/1067503584.db2.gz CIARSLLJPOCGMH-HSZRJFAPSA-N 2 2 450.652 4.755 20 0 JJADLP COc1ccc(N=c2scc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948637 1067503592 /nfs/dbraw/zinc/50/35/92/1067503592.db2.gz CIARSLLJPOCGMH-HSZRJFAPSA-N 2 2 450.652 4.755 20 0 JJADLP CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460172942 1067570103 /nfs/dbraw/zinc/57/01/03/1067570103.db2.gz UMZAZPMNWSNNBZ-MHZLTWQESA-N 2 2 456.074 4.905 20 0 JJADLP CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460172942 1067570107 /nfs/dbraw/zinc/57/01/07/1067570107.db2.gz UMZAZPMNWSNNBZ-MHZLTWQESA-N 2 2 456.074 4.905 20 0 JJADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689246 1067702354 /nfs/dbraw/zinc/70/23/54/1067702354.db2.gz HJTVBRWWYKBAKS-SFHVURJKSA-N 2 2 456.390 4.890 20 0 JJADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001460708685 1067705765 /nfs/dbraw/zinc/70/57/65/1067705765.db2.gz MGXSYYDGYUREGU-SFHVURJKSA-N 2 2 459.856 4.573 20 0 JJADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750284 1067715505 /nfs/dbraw/zinc/71/55/05/1067715505.db2.gz WJVWAUZCAZGDPM-QGZVFWFLSA-N 2 2 452.401 4.826 20 0 JJADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750284 1067715509 /nfs/dbraw/zinc/71/55/09/1067715509.db2.gz WJVWAUZCAZGDPM-QGZVFWFLSA-N 2 2 452.401 4.826 20 0 JJADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001461158625 1067791003 /nfs/dbraw/zinc/79/10/03/1067791003.db2.gz CAFMTZJJMQNJAH-UHFFFAOYSA-N 2 2 458.437 4.789 20 0 JJADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001461373129 1067840667 /nfs/dbraw/zinc/84/06/67/1067840667.db2.gz NTGORLWSURUJQL-HXUWFJFHSA-N 2 2 450.627 4.690 20 0 JJADLP CCOP(=O)(CCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)OCC ZINC001462311338 1068048630 /nfs/dbraw/zinc/04/86/30/1068048630.db2.gz KWFKVDVMRKMEOO-UHFFFAOYSA-N 2 2 457.983 4.583 20 0 JJADLP O=C([C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463825473 1068536895 /nfs/dbraw/zinc/53/68/95/1068536895.db2.gz GYHRSHMPRUSLOM-NDEPHWFRSA-N 2 2 459.609 4.761 20 0 JJADLP O=C([C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463825473 1068536907 /nfs/dbraw/zinc/53/69/07/1068536907.db2.gz GYHRSHMPRUSLOM-NDEPHWFRSA-N 2 2 459.609 4.761 20 0 JJADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164694398 719809814 /nfs/dbraw/zinc/80/98/14/719809814.db2.gz WXDKQHRHNYCLGP-UHFFFAOYSA-N 2 2 458.635 4.880 20 0 JJADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164694398 719809816 /nfs/dbraw/zinc/80/98/16/719809816.db2.gz WXDKQHRHNYCLGP-UHFFFAOYSA-N 2 2 458.635 4.880 20 0 JJADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164697384 719830714 /nfs/dbraw/zinc/83/07/14/719830714.db2.gz NXISMNAGGUBOCX-RUZDIDTESA-N 2 2 498.675 4.923 20 0 JJADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164697384 719830717 /nfs/dbraw/zinc/83/07/17/719830717.db2.gz NXISMNAGGUBOCX-RUZDIDTESA-N 2 2 498.675 4.923 20 0 JJADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC001164733969 720524119 /nfs/dbraw/zinc/52/41/19/720524119.db2.gz NKFRXIRNBAXOJC-HXUWFJFHSA-N 2 2 481.579 4.621 20 0 JJADLP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC001165036238 721918483 /nfs/dbraw/zinc/91/84/83/721918483.db2.gz AUCLUSDBUPWVQV-JOCHJYFZSA-N 2 2 477.678 4.645 20 0 JJADLP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001360008630 1064798464 /nfs/dbraw/zinc/79/84/64/1064798464.db2.gz UVRCZRIHVPRKAR-QHCPKHFHSA-N 2 2 473.109 4.745 20 0 JJADLP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001360008630 1064798477 /nfs/dbraw/zinc/79/84/77/1064798477.db2.gz UVRCZRIHVPRKAR-QHCPKHFHSA-N 2 2 473.109 4.745 20 0 JJADLP CC[N@H+](Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc1)C(C)C ZINC001435847521 1065021263 /nfs/dbraw/zinc/02/12/63/1065021263.db2.gz GYBJNNAGHHQYJL-UHFFFAOYSA-N 2 2 457.416 4.608 20 0 JJADLP CC[N@@H+](Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc1)C(C)C ZINC001435847521 1065021278 /nfs/dbraw/zinc/02/12/78/1065021278.db2.gz GYBJNNAGHHQYJL-UHFFFAOYSA-N 2 2 457.416 4.608 20 0 JJADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864907 1065032054 /nfs/dbraw/zinc/03/20/54/1065032054.db2.gz HFMANNVQIJBEMC-DQEYMECFSA-N 2 2 459.675 4.529 20 0 JJADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864907 1065032068 /nfs/dbraw/zinc/03/20/68/1065032068.db2.gz HFMANNVQIJBEMC-DQEYMECFSA-N 2 2 459.675 4.529 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865652 1065033348 /nfs/dbraw/zinc/03/33/48/1065033348.db2.gz NVQPXGOPUIOYPV-CLJLJLNGSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865652 1065033361 /nfs/dbraw/zinc/03/33/61/1065033361.db2.gz NVQPXGOPUIOYPV-CLJLJLNGSA-N 2 2 451.655 4.794 20 0 JJADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659382 1066148164 /nfs/dbraw/zinc/14/81/64/1066148164.db2.gz CODNWLLQCNGVRC-DEOSSOPVSA-N 2 2 458.071 4.848 20 0 JJADLP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001442983680 1066249959 /nfs/dbraw/zinc/24/99/59/1066249959.db2.gz AFDQLMMYYQWVME-SANMLTNESA-N 2 2 454.058 4.942 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456004 1066392765 /nfs/dbraw/zinc/39/27/65/1066392765.db2.gz MXPNIBSDIOBXKJ-DNQXCXABSA-N 2 2 459.556 4.578 20 0 JJADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456004 1066392780 /nfs/dbraw/zinc/39/27/80/1066392780.db2.gz MXPNIBSDIOBXKJ-DNQXCXABSA-N 2 2 459.556 4.578 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461361 1066393621 /nfs/dbraw/zinc/39/36/21/1066393621.db2.gz CNHKUDLJUTZEDM-CUNXSJBXSA-N 2 2 451.630 4.764 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731967 1066992544 /nfs/dbraw/zinc/99/25/44/1066992544.db2.gz VSJSNBRKSCFLEJ-CQOQZXRMSA-N 2 2 461.658 4.636 20 0 JJADLP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731967 1066992551 /nfs/dbraw/zinc/99/25/51/1066992551.db2.gz VSJSNBRKSCFLEJ-CQOQZXRMSA-N 2 2 461.658 4.636 20 0 JJADLP CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546845 1067089524 /nfs/dbraw/zinc/08/95/24/1067089524.db2.gz RGEBMEPXZIZIHY-RDGATRHJSA-N 2 2 452.643 4.700 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875610 1067182206 /nfs/dbraw/zinc/18/22/06/1067182206.db2.gz KWQRIFKVPPJUGJ-RZDWPUGNSA-N 2 2 451.655 4.748 20 0 JJADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001458875610 1067182214 /nfs/dbraw/zinc/18/22/14/1067182214.db2.gz KWQRIFKVPPJUGJ-RZDWPUGNSA-N 2 2 451.655 4.748 20 0 JJADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875667 1067183201 /nfs/dbraw/zinc/18/32/01/1067183201.db2.gz LFKGUBOUDLJVDR-YSZBQJHXSA-N 2 2 453.593 4.995 20 0 JJADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875667 1067183206 /nfs/dbraw/zinc/18/32/06/1067183206.db2.gz LFKGUBOUDLJVDR-YSZBQJHXSA-N 2 2 453.593 4.995 20 0 JJADLP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395191 1067312339 /nfs/dbraw/zinc/31/23/39/1067312339.db2.gz NRDIFNNIOUYOCU-OAQYLSRUSA-N 2 2 453.936 4.744 20 0 JJADLP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395191 1067312354 /nfs/dbraw/zinc/31/23/54/1067312354.db2.gz NRDIFNNIOUYOCU-OAQYLSRUSA-N 2 2 453.936 4.744 20 0 JJADLP Cc1ccc(CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356569 /nfs/dbraw/zinc/35/65/69/1067356569.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 2 2 459.634 4.676 20 0 JJADLP Cc1ccc(CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356580 /nfs/dbraw/zinc/35/65/80/1067356580.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 2 2 459.634 4.676 20 0 JJADLP Cc1ccc(CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356599 /nfs/dbraw/zinc/35/65/99/1067356599.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 2 2 459.634 4.676 20 0 JJADLP Cc1ccc(CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356611 /nfs/dbraw/zinc/35/66/11/1067356611.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 2 2 459.634 4.676 20 0 JJADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001459661107 1067374474 /nfs/dbraw/zinc/37/44/74/1067374474.db2.gz AOEUELMWDBXUGC-UHFFFAOYSA-N 2 2 453.384 4.794 20 0 JJADLP CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459674718 1067380167 /nfs/dbraw/zinc/38/01/67/1067380167.db2.gz YWGNWHKNDNTSFF-UHFFFAOYSA-N 2 2 453.660 4.603 20 0 JJADLP CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459674718 1067380182 /nfs/dbraw/zinc/38/01/82/1067380182.db2.gz YWGNWHKNDNTSFF-UHFFFAOYSA-N 2 2 453.660 4.603 20 0 JJADLP CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459674512 1067380289 /nfs/dbraw/zinc/38/02/89/1067380289.db2.gz XFMSUISMGCYWPX-UHFFFAOYSA-N 2 2 456.541 4.728 20 0 JJADLP CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001459674512 1067380298 /nfs/dbraw/zinc/38/02/98/1067380298.db2.gz XFMSUISMGCYWPX-UHFFFAOYSA-N 2 2 456.541 4.728 20 0 JJADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459755108 1067407923 /nfs/dbraw/zinc/40/79/23/1067407923.db2.gz PZSVGONOCSJKIT-UHFFFAOYSA-N 2 2 453.384 4.794 20 0 JJADLP CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](CC)CC3)co2)cc1 ZINC001459873293 1067468410 /nfs/dbraw/zinc/46/84/10/1067468410.db2.gz CCHIRXRQWUSXCV-LJQANCHMSA-N 2 2 452.574 4.872 20 0 JJADLP OCC[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1cc(Br)cs1 ZINC001459929380 1067495988 /nfs/dbraw/zinc/49/59/88/1067495988.db2.gz GVNPZASYFFAYTD-UHFFFAOYSA-N 2 2 451.474 4.650 20 0 JJADLP OCC[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1cc(Br)cs1 ZINC001459929380 1067495990 /nfs/dbraw/zinc/49/59/90/1067495990.db2.gz GVNPZASYFFAYTD-UHFFFAOYSA-N 2 2 451.474 4.650 20 0 JJADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086733 1067550034 /nfs/dbraw/zinc/55/00/34/1067550034.db2.gz WJLQKRZINMLIOJ-GBXCKJPGSA-N 2 2 453.652 4.656 20 0 JJADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086733 1067550045 /nfs/dbraw/zinc/55/00/45/1067550045.db2.gz WJLQKRZINMLIOJ-GBXCKJPGSA-N 2 2 453.652 4.656 20 0 JJADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086737 1067550200 /nfs/dbraw/zinc/55/02/00/1067550200.db2.gz WJLQKRZINMLIOJ-RDPSFJRHSA-N 2 2 453.652 4.656 20 0 JJADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086737 1067550211 /nfs/dbraw/zinc/55/02/11/1067550211.db2.gz WJLQKRZINMLIOJ-RDPSFJRHSA-N 2 2 453.652 4.656 20 0 JJADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2)CC1 ZINC001461051332 1067770069 /nfs/dbraw/zinc/77/00/69/1067770069.db2.gz JOQICGOABULUMH-UHFFFAOYSA-N 2 2 457.496 4.643 20 0 JJADLP COc1cccc(Oc2ncccc2C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC001461236580 1067806422 /nfs/dbraw/zinc/80/64/22/1067806422.db2.gz VBIDXHPNSHYHRW-UHFFFAOYSA-N 2 2 452.986 4.578 20 0 JJADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)[nH+]c2)C1 ZINC001461357462 1067837692 /nfs/dbraw/zinc/83/76/92/1067837692.db2.gz SCKOEYZRNWPCTP-HXUWFJFHSA-N 2 2 453.034 4.971 20 0 JJADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001461373126 1067840509 /nfs/dbraw/zinc/84/05/09/1067840509.db2.gz NTGORLWSURUJQL-FQEVSTJZSA-N 2 2 450.627 4.690 20 0 JJADLP CSCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461751536 1067930290 /nfs/dbraw/zinc/93/02/90/1067930290.db2.gz GMZGGPOHDIUCGU-UHFFFAOYSA-N 2 2 455.668 4.892 20 0 JJADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899085 1067957616 /nfs/dbraw/zinc/95/76/16/1067957616.db2.gz NMBSULOUZJFAKQ-PKTZIBPZSA-N 2 2 459.675 4.782 20 0 JJADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899085 1067957621 /nfs/dbraw/zinc/95/76/21/1067957621.db2.gz NMBSULOUZJFAKQ-PKTZIBPZSA-N 2 2 459.675 4.782 20 0 JJADLP COc1ccc(N(C(C)=O)c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC001461917458 1067960549 /nfs/dbraw/zinc/96/05/49/1067960549.db2.gz FYTRZGZJEVBZIL-UHFFFAOYSA-N 2 2 456.656 4.924 20 0 JJADLP CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461985816 1067975470 /nfs/dbraw/zinc/97/54/70/1067975470.db2.gz GMHIWGKVAQJRMB-UHFFFAOYSA-N 2 2 450.606 4.783 20 0 JJADLP CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461985816 1067975480 /nfs/dbraw/zinc/97/54/80/1067975480.db2.gz GMHIWGKVAQJRMB-UHFFFAOYSA-N 2 2 450.606 4.783 20 0 JJADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4c(n2)CC[NH+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501897 /nfs/dbraw/zinc/50/18/97/719501897.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 2 2 486.635 4.650 20 0 JJADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4c(n2)CC[NH+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501904 /nfs/dbraw/zinc/50/19/04/719501904.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 2 2 486.635 4.650 20 0 JJADLP Fc1ccc(C[NH+]2CCOCC23CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501911 /nfs/dbraw/zinc/50/19/11/719501911.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 2 2 486.635 4.650 20 0 JJADLP Fc1ccc(C[NH+]2CCOCC23CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501917 /nfs/dbraw/zinc/50/19/17/719501917.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 2 2 486.635 4.650 20 0 JJADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164697387 719830611 /nfs/dbraw/zinc/83/06/11/719830611.db2.gz NXISMNAGGUBOCX-VWLOTQADSA-N 2 2 498.675 4.923 20 0 JJADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)nc1 ZINC001164697387 719830612 /nfs/dbraw/zinc/83/06/12/719830612.db2.gz NXISMNAGGUBOCX-VWLOTQADSA-N 2 2 498.675 4.923 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749085 720935284 /nfs/dbraw/zinc/93/52/84/720935284.db2.gz HROGDUJBBKXPJQ-FIPFOOKPSA-N 2 2 476.596 4.533 20 0 JJADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749085 720935291 /nfs/dbraw/zinc/93/52/91/720935291.db2.gz HROGDUJBBKXPJQ-FIPFOOKPSA-N 2 2 476.596 4.533 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856305 721003903 /nfs/dbraw/zinc/00/39/03/721003903.db2.gz AXGLTFHVVWHFBP-LJQANCHMSA-N 2 2 481.714 4.912 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856305 721003910 /nfs/dbraw/zinc/00/39/10/721003910.db2.gz AXGLTFHVVWHFBP-LJQANCHMSA-N 2 2 481.714 4.912 20 0 JJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165021228 721841692 /nfs/dbraw/zinc/84/16/92/721841692.db2.gz IQFUZKWSYCOMRI-UHFFFAOYSA-N 2 2 489.595 4.737 20 0 JJADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165044595 721939842 /nfs/dbraw/zinc/93/98/42/721939842.db2.gz OGYHGTHBUPRIBH-UHFFFAOYSA-N 2 2 471.008 4.563 20 0 JJADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165044595 721939844 /nfs/dbraw/zinc/93/98/44/721939844.db2.gz OGYHGTHBUPRIBH-UHFFFAOYSA-N 2 2 471.008 4.563 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359861377 1064552254 /nfs/dbraw/zinc/55/22/54/1064552254.db2.gz TVTPFGAOAYRXCB-DHIUTWEWSA-N 2 2 487.136 4.820 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435864722 1065032252 /nfs/dbraw/zinc/03/22/52/1065032252.db2.gz GMXDQGGJCQGAHW-YDLSIGKMSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435864722 1065032266 /nfs/dbraw/zinc/03/22/66/1065032266.db2.gz GMXDQGGJCQGAHW-YDLSIGKMSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435864720 1065032400 /nfs/dbraw/zinc/03/24/00/1065032400.db2.gz GMXDQGGJCQGAHW-JFSTXAPLSA-N 2 2 452.470 4.893 20 0 JJADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435864720 1065032412 /nfs/dbraw/zinc/03/24/12/1065032412.db2.gz GMXDQGGJCQGAHW-JFSTXAPLSA-N 2 2 452.470 4.893 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864874 1065032454 /nfs/dbraw/zinc/03/24/54/1065032454.db2.gz GWPITCHMPOMTIS-GOTSBHOMSA-N 2 2 454.684 4.836 20 0 JJADLP Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)s2)c(C)c1 ZINC001435864874 1065032468 /nfs/dbraw/zinc/03/24/68/1065032468.db2.gz GWPITCHMPOMTIS-GOTSBHOMSA-N 2 2 454.684 4.836 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865654 1065033227 /nfs/dbraw/zinc/03/32/27/1065033227.db2.gz NVQPXGOPUIOYPV-IZZNHLLZSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865654 1065033245 /nfs/dbraw/zinc/03/32/45/1065033245.db2.gz NVQPXGOPUIOYPV-IZZNHLLZSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865653 1065033283 /nfs/dbraw/zinc/03/32/83/1065033283.db2.gz NVQPXGOPUIOYPV-FTJBHMTQSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865653 1065033296 /nfs/dbraw/zinc/03/32/96/1065033296.db2.gz NVQPXGOPUIOYPV-FTJBHMTQSA-N 2 2 451.655 4.794 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435865429 1065033547 /nfs/dbraw/zinc/03/35/47/1065033547.db2.gz MJDZDYGIRDCFGK-JWQCQUIFSA-N 2 2 455.046 4.811 20 0 JJADLP CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435865429 1065033563 /nfs/dbraw/zinc/03/35/63/1065033563.db2.gz MJDZDYGIRDCFGK-JWQCQUIFSA-N 2 2 455.046 4.811 20 0 JJADLP CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1)C(C)C ZINC001360437098 1065317298 /nfs/dbraw/zinc/31/72/98/1065317298.db2.gz COQKSQXTZYTNKV-NRFANRHFSA-N 2 2 497.638 4.620 20 0 JJADLP Cc1c(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521183 1065340999 /nfs/dbraw/zinc/34/09/99/1065340999.db2.gz PDYXMZXQSNAUKT-QHCPKHFHSA-N 2 2 452.002 4.602 20 0 JJADLP Cc1c(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521183 1065341009 /nfs/dbraw/zinc/34/10/09/1065341009.db2.gz PDYXMZXQSNAUKT-QHCPKHFHSA-N 2 2 452.002 4.602 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456009 1066392514 /nfs/dbraw/zinc/39/25/14/1066392514.db2.gz MXPNIBSDIOBXKJ-ZEQRLZLVSA-N 2 2 459.556 4.578 20 0 JJADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456009 1066392532 /nfs/dbraw/zinc/39/25/32/1066392532.db2.gz MXPNIBSDIOBXKJ-ZEQRLZLVSA-N 2 2 459.556 4.578 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447300269 1066788891 /nfs/dbraw/zinc/78/88/91/1066788891.db2.gz BRPXYZDXPMJELO-SFTDATJTSA-N 2 2 451.442 4.884 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447300269 1066788907 /nfs/dbraw/zinc/78/89/07/1066788907.db2.gz BRPXYZDXPMJELO-SFTDATJTSA-N 2 2 451.442 4.884 20 0 JJADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701816 1066859159 /nfs/dbraw/zinc/85/91/59/1066859159.db2.gz IANJJCJVJHRFLD-NRFANRHFSA-N 2 2 495.741 4.573 20 0 JJADLP Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701816 1066859170 /nfs/dbraw/zinc/85/91/70/1066859170.db2.gz IANJJCJVJHRFLD-NRFANRHFSA-N 2 2 495.741 4.573 20 0 JJADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)cn2c1 ZINC001449555685 1067014915 /nfs/dbraw/zinc/01/49/15/1067014915.db2.gz NAPYJXGEZKGEHU-UHFFFAOYSA-N 2 2 459.015 4.641 20 0 JJADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871760 1067180847 /nfs/dbraw/zinc/18/08/47/1067180847.db2.gz CZNOOQQNHWYZPU-GERLKTCDSA-N 2 2 451.577 4.904 20 0 JJADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871760 1067180854 /nfs/dbraw/zinc/18/08/54/1067180854.db2.gz CZNOOQQNHWYZPU-GERLKTCDSA-N 2 2 451.577 4.904 20 0 JJADLP O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459657890 1067373441 /nfs/dbraw/zinc/37/34/41/1067373441.db2.gz RTSDMWSFRJPRND-RUZDIDTESA-N 2 2 458.021 4.687 20 0 JJADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC001460102131 1067555535 /nfs/dbraw/zinc/55/55/35/1067555535.db2.gz ULMCNXQFEIJYKN-UHFFFAOYSA-N 2 2 458.021 4.780 20 0 JJADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC001460102131 1067555542 /nfs/dbraw/zinc/55/55/42/1067555542.db2.gz ULMCNXQFEIJYKN-UHFFFAOYSA-N 2 2 458.021 4.780 20 0 JJADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356855 1067616459 /nfs/dbraw/zinc/61/64/59/1067616459.db2.gz RWUMKSZJGQEJKU-PKTZIBPZSA-N 2 2 458.606 4.611 20 0 JJADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647133 /nfs/dbraw/zinc/64/71/33/1067647133.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647138 /nfs/dbraw/zinc/64/71/38/1067647138.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647142 /nfs/dbraw/zinc/64/71/42/1067647142.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647145 /nfs/dbraw/zinc/64/71/45/1067647145.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC001460851435 1067734796 /nfs/dbraw/zinc/73/47/96/1067734796.db2.gz VEAZFDXEWCTNPT-XMMPIXPASA-N 2 2 457.659 4.568 20 0 JJADLP CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC001460851435 1067734805 /nfs/dbraw/zinc/73/48/05/1067734805.db2.gz VEAZFDXEWCTNPT-XMMPIXPASA-N 2 2 457.659 4.568 20 0 JJADLP CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001460854273 1067735193 /nfs/dbraw/zinc/73/51/93/1067735193.db2.gz BVDXMSAWTWFMAB-XMMPIXPASA-N 2 2 459.675 4.540 20 0 JJADLP CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001460854273 1067735199 /nfs/dbraw/zinc/73/51/99/1067735199.db2.gz BVDXMSAWTWFMAB-XMMPIXPASA-N 2 2 459.675 4.540 20 0 JJADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Br)cc3)CC2)c1 ZINC001461030684 1067765488 /nfs/dbraw/zinc/76/54/88/1067765488.db2.gz QBVYUADLWIWHKB-UHFFFAOYSA-N 2 2 456.350 4.770 20 0 JJADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612816 1067901847 /nfs/dbraw/zinc/90/18/47/1067901847.db2.gz LTRCXBGZHQUURU-REWPJTCUSA-N 2 2 456.030 4.752 20 0 JJADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612815 1067901888 /nfs/dbraw/zinc/90/18/88/1067901888.db2.gz LTRCXBGZHQUURU-OFNKIYASSA-N 2 2 456.030 4.752 20 0 JJADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899077 1067957545 /nfs/dbraw/zinc/95/75/45/1067957545.db2.gz NMBSULOUZJFAKQ-DHIUTWEWSA-N 2 2 459.675 4.782 20 0 JJADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899077 1067957550 /nfs/dbraw/zinc/95/75/50/1067957550.db2.gz NMBSULOUZJFAKQ-DHIUTWEWSA-N 2 2 459.675 4.782 20 0 JJADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC[C@H]21 ZINC001462175891 1068022547 /nfs/dbraw/zinc/02/25/47/1068022547.db2.gz FFBDBDSOIUBPIK-KNMUURIASA-N 2 2 459.597 4.950 20 0 JJADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164664097 719347334 /nfs/dbraw/zinc/34/73/34/719347334.db2.gz QWIKPHKOHOOOCW-UHFFFAOYSA-N 2 2 453.590 4.938 20 0 JJADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164664097 719347338 /nfs/dbraw/zinc/34/73/38/719347338.db2.gz QWIKPHKOHOOOCW-UHFFFAOYSA-N 2 2 453.590 4.938 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757856 720896354 /nfs/dbraw/zinc/89/63/54/720896354.db2.gz VXSYVWXJFSFVSD-FUFSCUOVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757856 720896356 /nfs/dbraw/zinc/89/63/56/720896356.db2.gz VXSYVWXJFSFVSD-FUFSCUOVSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757857 720896727 /nfs/dbraw/zinc/89/67/27/720896727.db2.gz VXSYVWXJFSFVSD-GIGWZHCTSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757857 720896728 /nfs/dbraw/zinc/89/67/28/720896728.db2.gz VXSYVWXJFSFVSD-GIGWZHCTSA-N 2 2 472.633 4.702 20 0 JJADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001444461691 1066462557 /nfs/dbraw/zinc/46/25/57/1066462557.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 2 2 451.998 4.846 20 0 JJADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001444461691 1066462565 /nfs/dbraw/zinc/46/25/65/1066462565.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 2 2 451.998 4.846 20 0 JJADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001444461691 1066462574 /nfs/dbraw/zinc/46/25/74/1066462574.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 2 2 451.998 4.846 20 0 JJADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001444461691 1066462581 /nfs/dbraw/zinc/46/25/81/1066462581.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 2 2 451.998 4.846 20 0 JJADLP CC[C@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545743810 1067010668 /nfs/dbraw/zinc/01/06/68/1067010668.db2.gz RHKBJSDJROQJSG-DEOSSOPVSA-N 2 2 475.685 4.574 20 0 JJADLP CC[C@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545743810 1067010677 /nfs/dbraw/zinc/01/06/77/1067010677.db2.gz RHKBJSDJROQJSG-DEOSSOPVSA-N 2 2 475.685 4.574 20 0 JJADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001450109790 1067049991 /nfs/dbraw/zinc/04/99/91/1067049991.db2.gz FSANTWKBFZPBIG-NDEPHWFRSA-N 2 2 458.650 4.666 20 0 JJADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001450109790 1067050007 /nfs/dbraw/zinc/05/00/07/1067050007.db2.gz FSANTWKBFZPBIG-NDEPHWFRSA-N 2 2 458.650 4.666 20 0 JJADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871762 1067180957 /nfs/dbraw/zinc/18/09/57/1067180957.db2.gz CZNOOQQNHWYZPU-HXSWCURESA-N 2 2 451.577 4.904 20 0 JJADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871762 1067180964 /nfs/dbraw/zinc/18/09/64/1067180964.db2.gz CZNOOQQNHWYZPU-HXSWCURESA-N 2 2 451.577 4.904 20 0 JJADLP CN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458881053 1067184913 /nfs/dbraw/zinc/18/49/13/1067184913.db2.gz UUCAJXTWYBJUHE-SJROBZAFSA-N 2 2 450.042 4.768 20 0 JJADLP CN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458881053 1067184920 /nfs/dbraw/zinc/18/49/20/1067184920.db2.gz UUCAJXTWYBJUHE-SJROBZAFSA-N 2 2 450.042 4.768 20 0 JJADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(CC)(CC)Cc3nc4ccccc4s3)CC2)CC1 ZINC001451671146 1067185627 /nfs/dbraw/zinc/18/56/27/1067185627.db2.gz FKNKPXNHVYFUPH-UHFFFAOYSA-N 2 2 456.700 4.664 20 0 JJADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(CC)(CC)Cc3nc4ccccc4s3)CC2)CC1 ZINC001451671146 1067185630 /nfs/dbraw/zinc/18/56/30/1067185630.db2.gz FKNKPXNHVYFUPH-UHFFFAOYSA-N 2 2 456.700 4.664 20 0 JJADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC001459377614 1067307774 /nfs/dbraw/zinc/30/77/74/1067307774.db2.gz UGXVBWBJROZQCE-UHFFFAOYSA-N 2 2 459.609 4.917 20 0 JJADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC001459377614 1067307785 /nfs/dbraw/zinc/30/77/85/1067307785.db2.gz UGXVBWBJROZQCE-UHFFFAOYSA-N 2 2 459.609 4.917 20 0 JJADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)s2)cc1 ZINC001459899855 1067479603 /nfs/dbraw/zinc/47/96/03/1067479603.db2.gz HYOCGBCOBJFWDO-FQEVSTJZSA-N 2 2 450.652 4.990 20 0 JJADLP COc1ccc(N=c2scc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948640 1067503414 /nfs/dbraw/zinc/50/34/14/1067503414.db2.gz CIARSLLJPOCGMH-QHCPKHFHSA-N 2 2 450.652 4.755 20 0 JJADLP COc1ccc(N=c2scc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948640 1067503422 /nfs/dbraw/zinc/50/34/22/1067503422.db2.gz CIARSLLJPOCGMH-QHCPKHFHSA-N 2 2 450.652 4.755 20 0 JJADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086734 1067550362 /nfs/dbraw/zinc/55/03/62/1067550362.db2.gz WJLQKRZINMLIOJ-HYBUGGRVSA-N 2 2 453.652 4.656 20 0 JJADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086734 1067550367 /nfs/dbraw/zinc/55/03/67/1067550367.db2.gz WJLQKRZINMLIOJ-HYBUGGRVSA-N 2 2 453.652 4.656 20 0 JJADLP O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356182 1067616358 /nfs/dbraw/zinc/61/63/58/1067616358.db2.gz KTEIWQAZNQGKCR-PXDATVDWSA-N 2 2 458.021 4.829 20 0 JJADLP O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356182 1067616362 /nfs/dbraw/zinc/61/63/62/1067616362.db2.gz KTEIWQAZNQGKCR-PXDATVDWSA-N 2 2 458.021 4.829 20 0 JJADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1)c1ccccc1 ZINC001460356856 1067616840 /nfs/dbraw/zinc/61/68/40/1067616840.db2.gz RWUMKSZJGQEJKU-XZOQPEGZSA-N 2 2 458.606 4.611 20 0 JJADLP Fc1cccc(C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119932 1067785222 /nfs/dbraw/zinc/78/52/22/1067785222.db2.gz ITEKMQGLDWILDV-MHZLTWQESA-N 2 2 452.545 4.749 20 0 JJADLP Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001461226331 1067804487 /nfs/dbraw/zinc/80/44/87/1067804487.db2.gz YAPAWSWMERVJSA-FQEVSTJZSA-N 2 2 459.428 4.619 20 0 JJADLP Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001461226333 1067804517 /nfs/dbraw/zinc/80/45/17/1067804517.db2.gz YAPAWSWMERVJSA-HXUWFJFHSA-N 2 2 459.428 4.619 20 0 JJADLP CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001461262465 1067813299 /nfs/dbraw/zinc/81/32/99/1067813299.db2.gz LJGVDTIINHBXNS-UHFFFAOYSA-N 2 2 457.210 4.987 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732424 720439398 /nfs/dbraw/zinc/43/93/98/720439398.db2.gz NHMOEJSFVWQWNN-FGZHOGPDSA-N 2 2 462.667 4.542 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732424 720439400 /nfs/dbraw/zinc/43/94/00/720439400.db2.gz NHMOEJSFVWQWNN-FGZHOGPDSA-N 2 2 462.667 4.542 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757860 720896579 /nfs/dbraw/zinc/89/65/79/720896579.db2.gz VXSYVWXJFSFVSD-OUTSHDOLSA-N 2 2 472.633 4.702 20 0 JJADLP COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]c2c1 ZINC001164757860 720896583 /nfs/dbraw/zinc/89/65/83/720896583.db2.gz VXSYVWXJFSFVSD-OUTSHDOLSA-N 2 2 472.633 4.702 20 0 JJADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753194 720905851 /nfs/dbraw/zinc/90/58/51/720905851.db2.gz QUIWQLMOZAQXMI-LITSAYRRSA-N 2 2 475.681 4.983 20 0 JJADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753194 720905865 /nfs/dbraw/zinc/90/58/65/720905865.db2.gz QUIWQLMOZAQXMI-LITSAYRRSA-N 2 2 475.681 4.983 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359861379 1064552450 /nfs/dbraw/zinc/55/24/50/1064552450.db2.gz TVTPFGAOAYRXCB-ZRZAMGCNSA-N 2 2 487.136 4.820 20 0 JJADLP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359861379 1064552463 /nfs/dbraw/zinc/55/24/63/1064552463.db2.gz TVTPFGAOAYRXCB-ZRZAMGCNSA-N 2 2 487.136 4.820 20 0 JJADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864919 1065032653 /nfs/dbraw/zinc/03/26/53/1065032653.db2.gz HFMANNVQIJBEMC-RPBOFIJWSA-N 2 2 459.675 4.529 20 0 JJADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OCCC(C)C)c1 ZINC001435864919 1065032666 /nfs/dbraw/zinc/03/26/66/1065032666.db2.gz HFMANNVQIJBEMC-RPBOFIJWSA-N 2 2 459.675 4.529 20 0 JJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585729 1066724057 /nfs/dbraw/zinc/72/40/57/1066724057.db2.gz RABJHFIPOAHHLX-BJKOFHAPSA-N 2 2 452.549 4.515 20 0 JJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585729 1066724063 /nfs/dbraw/zinc/72/40/63/1066724063.db2.gz RABJHFIPOAHHLX-BJKOFHAPSA-N 2 2 452.549 4.515 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447300259 1066788615 /nfs/dbraw/zinc/78/86/15/1066788615.db2.gz BRPXYZDXPMJELO-LEWJYISDSA-N 2 2 451.442 4.884 20 0 JJADLP CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447300259 1066788621 /nfs/dbraw/zinc/78/86/21/1066788621.db2.gz BRPXYZDXPMJELO-LEWJYISDSA-N 2 2 451.442 4.884 20 0 JJADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871764 1067180779 /nfs/dbraw/zinc/18/07/79/1067180779.db2.gz CZNOOQQNHWYZPU-SUJOLCCYSA-N 2 2 451.577 4.904 20 0 JJADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001458871764 1067180784 /nfs/dbraw/zinc/18/07/84/1067180784.db2.gz CZNOOQQNHWYZPU-SUJOLCCYSA-N 2 2 451.577 4.904 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386746 1067310273 /nfs/dbraw/zinc/31/02/73/1067310273.db2.gz ORCBUJABVFNHBW-ISKFKSNPSA-N 2 2 451.655 4.639 20 0 JJADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386746 1067310285 /nfs/dbraw/zinc/31/02/85/1067310285.db2.gz ORCBUJABVFNHBW-ISKFKSNPSA-N 2 2 451.655 4.639 20 0 JJADLP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395189 1067312270 /nfs/dbraw/zinc/31/22/70/1067312270.db2.gz NRDIFNNIOUYOCU-NRFANRHFSA-N 2 2 453.936 4.744 20 0 JJADLP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395189 1067312281 /nfs/dbraw/zinc/31/22/81/1067312281.db2.gz NRDIFNNIOUYOCU-NRFANRHFSA-N 2 2 453.936 4.744 20 0 JJADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(OCC4CCCCC4)CC3)CC2)cc1 ZINC001459481945 1067336210 /nfs/dbraw/zinc/33/62/10/1067336210.db2.gz FHBYKRJRIMFJFD-UHFFFAOYSA-N 2 2 455.687 4.516 20 0 JJADLP O=C(C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460079611 1067548482 /nfs/dbraw/zinc/54/84/82/1067548482.db2.gz DMMKMXQHAUQNME-VWLOTQADSA-N 2 2 459.606 4.736 20 0 JJADLP O=C(C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460079602 1067548539 /nfs/dbraw/zinc/54/85/39/1067548539.db2.gz DMMKMXQHAUQNME-RUZDIDTESA-N 2 2 459.606 4.736 20 0 JJADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647208 /nfs/dbraw/zinc/64/72/08/1067647208.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647211 /nfs/dbraw/zinc/64/72/11/1067647211.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647213 /nfs/dbraw/zinc/64/72/13/1067647213.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 2 2 452.824 4.991 20 0 JJADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647215 /nfs/dbraw/zinc/64/72/15/1067647215.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 2 2 452.824 4.991 20 0 JJADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750282 1067715428 /nfs/dbraw/zinc/71/54/28/1067715428.db2.gz WJVWAUZCAZGDPM-KRWDZBQOSA-N 2 2 452.401 4.826 20 0 JJADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750282 1067715433 /nfs/dbraw/zinc/71/54/33/1067715433.db2.gz WJVWAUZCAZGDPM-KRWDZBQOSA-N 2 2 452.401 4.826 20 0 JJADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001461018260 1067762996 /nfs/dbraw/zinc/76/29/96/1067762996.db2.gz AXSMTYAWHDRWGE-UHFFFAOYSA-N 2 2 453.428 4.740 20 0 JJADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC001461037375 1067767327 /nfs/dbraw/zinc/76/73/27/1067767327.db2.gz RVIQGCHARWJBDX-UHFFFAOYSA-N 2 2 453.936 4.596 20 0 JJADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769272 /nfs/dbraw/zinc/76/92/72/1067769272.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 3 2 459.581 4.837 20 0 JJADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461048526 1067769276 /nfs/dbraw/zinc/76/92/76/1067769276.db2.gz KTFNTCXKKBAXAK-KDURUIRLSA-N 3 2 459.581 4.837 20 0 JJADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC[C@@H]21 ZINC001462175894 1068022419 /nfs/dbraw/zinc/02/24/19/1068022419.db2.gz FFBDBDSOIUBPIK-LJRUZBCWSA-N 2 2 459.597 4.950 20 0 JJADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462198285 1068027409 /nfs/dbraw/zinc/02/74/09/1068027409.db2.gz LAPCSZFQYKECPE-IBGZPJMESA-N 2 2 454.949 4.683 20 0 JJADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462198285 1068027417 /nfs/dbraw/zinc/02/74/17/1068027417.db2.gz LAPCSZFQYKECPE-IBGZPJMESA-N 2 2 454.949 4.683 20 0 JJADLP C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462477625 1068081993 /nfs/dbraw/zinc/08/19/93/1068081993.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 2 2 457.334 4.537 20 0 JJADLP C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462477625 1068082006 /nfs/dbraw/zinc/08/20/06/1068082006.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 2 2 457.334 4.537 20 0 JJADLP C[NH+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462477625 1068082019 /nfs/dbraw/zinc/08/20/19/1068082019.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 2 2 457.334 4.537 20 0 JJADLP C[NH+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462477625 1068082035 /nfs/dbraw/zinc/08/20/35/1068082035.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 2 2 457.334 4.537 20 0 JJADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001464199263 1068653576 /nfs/dbraw/zinc/65/35/76/1068653576.db2.gz LUZYTJHKKZWFQJ-HSZRJFAPSA-N 2 2 458.444 4.743 20 0 JJADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001464199263 1068653579 /nfs/dbraw/zinc/65/35/79/1068653579.db2.gz LUZYTJHKKZWFQJ-HSZRJFAPSA-N 2 2 458.444 4.743 20 0 JJADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)CC2)CC1 ZINC001464610799 1068798804 /nfs/dbraw/zinc/79/88/04/1068798804.db2.gz QXJVNFMMRAHCAQ-UHFFFAOYSA-N 2 2 452.470 4.870 20 0 JJADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530240 /nfs/dbraw/zinc/53/02/40/719530240.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 2 2 452.618 4.639 20 0 JJADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530254 /nfs/dbraw/zinc/53/02/54/719530254.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 2 2 452.618 4.639 20 0 JJADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530267 /nfs/dbraw/zinc/53/02/67/719530267.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 2 2 452.618 4.639 20 0 JJADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530276 /nfs/dbraw/zinc/53/02/76/719530276.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 2 2 452.618 4.639 20 0 JJADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ccccc4)cc[nH+]3)CC2)c2ccccc21 ZINC001164681751 719662773 /nfs/dbraw/zinc/66/27/73/719662773.db2.gz QPEPYQOSDNQAOF-RUZDIDTESA-N 2 2 468.645 4.842 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1C ZINC001164707933 719898669 /nfs/dbraw/zinc/89/86/69/719898669.db2.gz ZRLBYNLUDRSUGP-UHFFFAOYSA-N 2 2 497.734 4.837 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1C ZINC001164707933 719898672 /nfs/dbraw/zinc/89/86/72/719898672.db2.gz ZRLBYNLUDRSUGP-UHFFFAOYSA-N 2 2 497.734 4.837 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732426 720440606 /nfs/dbraw/zinc/44/06/06/720440606.db2.gz NHMOEJSFVWQWNN-YADHBBJMSA-N 2 2 462.667 4.542 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732426 720440617 /nfs/dbraw/zinc/44/06/17/720440617.db2.gz NHMOEJSFVWQWNN-YADHBBJMSA-N 2 2 462.667 4.542 20 0 JJADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164844806 720739886 /nfs/dbraw/zinc/73/98/86/720739886.db2.gz UHJWDNDNUXSJRT-UHFFFAOYSA-N 2 2 487.677 4.669 20 0 JJADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753196 720905658 /nfs/dbraw/zinc/90/56/58/720905658.db2.gz QUIWQLMOZAQXMI-UHSQPCAPSA-N 2 2 475.681 4.983 20 0 JJADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C2CCCCC2)[nH+]1 ZINC001164753196 720905662 /nfs/dbraw/zinc/90/56/62/720905662.db2.gz QUIWQLMOZAQXMI-UHSQPCAPSA-N 2 2 475.681 4.983 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164754656 720937409 /nfs/dbraw/zinc/93/74/09/720937409.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164754656 720937413 /nfs/dbraw/zinc/93/74/13/720937413.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754656 720937421 /nfs/dbraw/zinc/93/74/21/720937421.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754656 720937425 /nfs/dbraw/zinc/93/74/25/720937425.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 2 2 455.046 4.616 20 0 JJADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164856332 721002597 /nfs/dbraw/zinc/00/25/97/721002597.db2.gz BMBLPFROFXIOQJ-IBGZPJMESA-N 2 2 493.725 4.784 20 0 JJADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164856332 721002606 /nfs/dbraw/zinc/00/26/06/721002606.db2.gz BMBLPFROFXIOQJ-IBGZPJMESA-N 2 2 493.725 4.784 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856304 721003028 /nfs/dbraw/zinc/00/30/28/721003028.db2.gz AXGLTFHVVWHFBP-IBGZPJMESA-N 2 2 481.714 4.912 20 0 JJADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856304 721003034 /nfs/dbraw/zinc/00/30/34/721003034.db2.gz AXGLTFHVVWHFBP-IBGZPJMESA-N 2 2 481.714 4.912 20 0 JJADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856334 721003410 /nfs/dbraw/zinc/00/34/10/721003410.db2.gz BMBLPFROFXIOQJ-LJQANCHMSA-N 2 2 493.725 4.784 20 0 JJADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856334 721003413 /nfs/dbraw/zinc/00/34/13/721003413.db2.gz BMBLPFROFXIOQJ-LJQANCHMSA-N 2 2 493.725 4.784 20 0 JJADLP c1csc(C[NH+]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784383 721426502 /nfs/dbraw/zinc/42/65/02/721426502.db2.gz LJAHALMZNSDULQ-RTBURBONSA-N 2 2 494.734 4.581 20 0 JJADLP c1cc(-c2ccc3c(C4CN(c5ncnc6c5C[N@H+](Cc5ccccc5)CC6)C4)[nH+]cn3c2)co1 ZINC001165015624 721766741 /nfs/dbraw/zinc/76/67/41/721766741.db2.gz STXWZXDJYISONX-UHFFFAOYSA-N 2 2 462.557 4.546 20 0 JJADLP c1cc(-c2ccc3c(C4CN(c5ncnc6c5C[N@@H+](Cc5ccccc5)CC6)C4)[nH+]cn3c2)co1 ZINC001165015624 721766742 /nfs/dbraw/zinc/76/67/42/721766742.db2.gz STXWZXDJYISONX-UHFFFAOYSA-N 2 2 462.557 4.546 20 0 JJADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC3)C2)cc1 ZINC001164941036 721927473 /nfs/dbraw/zinc/92/74/73/721927473.db2.gz ZEXCMKJANMLBKU-UHFFFAOYSA-N 2 2 467.617 4.659 20 0 JJADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC3)C2)cc1 ZINC001164941036 721927476 /nfs/dbraw/zinc/92/74/76/721927476.db2.gz ZEXCMKJANMLBKU-UHFFFAOYSA-N 2 2 467.617 4.659 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]c2C)cc1 ZINC001164955667 722021411 /nfs/dbraw/zinc/02/14/11/722021411.db2.gz MOQXTVFHEMZAPB-UHFFFAOYSA-N 2 2 456.590 4.731 20 0 JJADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]c2C)cc1 ZINC001164955667 722021413 /nfs/dbraw/zinc/02/14/13/722021413.db2.gz MOQXTVFHEMZAPB-UHFFFAOYSA-N 2 2 456.590 4.731 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164959956 722059877 /nfs/dbraw/zinc/05/98/77/722059877.db2.gz AKBHLAGPALWMRE-UHFFFAOYSA-N 2 2 496.659 4.610 20 0 JJADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164959956 722059879 /nfs/dbraw/zinc/05/98/79/722059879.db2.gz AKBHLAGPALWMRE-UHFFFAOYSA-N 2 2 496.659 4.610 20 0 JJADLP