smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431782 718969961 /nfs/dbraw/zinc/96/99/61/718969961.db2.gz BIPYZYOFXRHTPY-MOPGFXCFSA-N 2 0 427.471 1.355 20 0 IDADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164614785 719006912 /nfs/dbraw/zinc/00/69/12/719006912.db2.gz GMUWZURDZWNOAO-WZONZLPQSA-N 2 0 428.581 1.378 20 0 IDADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]CC2 ZINC001164626483 719053214 /nfs/dbraw/zinc/05/32/14/719053214.db2.gz RQZICHDAYVSVOK-WIYYLYMNSA-N 2 0 441.601 1.669 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)c2)CC1 ZINC001164697706 719885038 /nfs/dbraw/zinc/88/50/38/719885038.db2.gz DCYFSTWEKFHTRZ-LSTHTHJFSA-N 2 0 438.532 1.682 20 0 IDADRP Cc1cc(N2CCCC2)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164711449 720163517 /nfs/dbraw/zinc/16/35/17/720163517.db2.gz BYGZQAGQCHOKRB-IBGZPJMESA-N 2 0 426.569 1.730 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164829750 720328991 /nfs/dbraw/zinc/32/89/91/720328991.db2.gz NJWLOUZNFBVKPF-PMACEKPBSA-N 2 0 427.597 1.316 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001164823932 720332585 /nfs/dbraw/zinc/33/25/85/720332585.db2.gz BSFJTEUFZAMMSH-NHCUHLMSSA-N 3 0 426.609 1.921 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747659 720812753 /nfs/dbraw/zinc/81/27/53/720812753.db2.gz OUPLCJBSBFNXQN-PWRODBHTSA-N 2 0 437.596 1.199 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751835 720841741 /nfs/dbraw/zinc/84/17/41/720841741.db2.gz ZBJPPKJSOUADTO-CEMLEFRQSA-N 3 0 436.608 1.980 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@@H]4C3)c2)CC1 ZINC001164857628 720913425 /nfs/dbraw/zinc/91/34/25/720913425.db2.gz MAKMBRQMZVLPSY-OZOXKJRCSA-N 2 0 441.532 1.814 20 0 IDADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164753728 720967258 /nfs/dbraw/zinc/96/72/58/720967258.db2.gz JCOXZTVRPBWZSD-UHFFFAOYSA-N 3 0 428.537 1.397 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896663 721444272 /nfs/dbraw/zinc/44/42/72/721444272.db2.gz RSMBFANVZMCAFE-URXFXBBRSA-N 2 0 444.624 1.620 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)c2)CC1 ZINC001165023762 721778049 /nfs/dbraw/zinc/77/80/49/721778049.db2.gz UWGWUWNUDVVQAM-QPPBQGQZSA-N 2 0 444.576 1.789 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914846 721791774 /nfs/dbraw/zinc/79/17/74/721791774.db2.gz GEZPXXFUAXYXMQ-DEOSSOPVSA-N 2 0 438.576 1.512 20 0 IDADRP Cn1cccc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2COC[C@@H]12 ZINC001164964516 722038123 /nfs/dbraw/zinc/03/81/23/722038123.db2.gz VPHUDCMRAXQAJF-ZJOUEHCJSA-N 2 0 425.533 1.527 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)c2)CC1 ZINC001164960257 722045703 /nfs/dbraw/zinc/04/57/03/722045703.db2.gz USOTVLJKMBOPCS-IBGZPJMESA-N 2 0 444.576 1.789 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)c2)CC1 ZINC001164960261 722045811 /nfs/dbraw/zinc/04/58/11/722045811.db2.gz USOTVLJKMBOPCS-LJQANCHMSA-N 2 0 444.576 1.789 20 0 IDADRP Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C1 ZINC001165002786 722244719 /nfs/dbraw/zinc/24/47/19/722244719.db2.gz GFXCXTZUFZOSGJ-GCJKJVERSA-N 2 0 439.560 1.871 20 0 IDADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164614777 719007040 /nfs/dbraw/zinc/00/70/40/719007040.db2.gz GMUWZURDZWNOAO-JPYJTQIMSA-N 2 0 428.581 1.378 20 0 IDADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]CC2 ZINC001164626481 719053280 /nfs/dbraw/zinc/05/32/80/719053280.db2.gz RQZICHDAYVSVOK-NQIIRXRSSA-N 2 0 441.601 1.669 20 0 IDADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]CC2 ZINC001164626482 719053581 /nfs/dbraw/zinc/05/35/81/719053581.db2.gz RQZICHDAYVSVOK-RXVVDRJESA-N 2 0 441.601 1.669 20 0 IDADRP CN(C)C(=O)COCc1noc2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164662264 719341517 /nfs/dbraw/zinc/34/15/17/719341517.db2.gz OXHBBRQHXWJPGX-UHFFFAOYSA-N 2 0 429.521 1.710 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001164826575 720294508 /nfs/dbraw/zinc/29/45/08/720294508.db2.gz VRIWRIRBIPIADB-UXHICEINSA-N 2 0 427.597 1.140 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164831326 720327166 /nfs/dbraw/zinc/32/71/66/720327166.db2.gz QVVDNNNDTZAJAV-SFTDATJTSA-N 2 0 426.609 1.745 20 0 IDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837262 720567520 /nfs/dbraw/zinc/56/75/20/720567520.db2.gz LNYQJVRYSRXPRI-JAXLGGSGSA-N 2 0 437.592 1.701 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751837 720841806 /nfs/dbraw/zinc/84/18/06/720841806.db2.gz ZBJPPKJSOUADTO-KSEOMHKRSA-N 3 0 436.608 1.980 20 0 IDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750383 720849000 /nfs/dbraw/zinc/84/90/00/720849000.db2.gz XJQIZRIQXCOYAY-ZJOUEHCJSA-N 2 0 438.580 1.578 20 0 IDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164784644 721460743 /nfs/dbraw/zinc/46/07/43/721460743.db2.gz JCPHCDXMRJZKCZ-OAQYLSRUSA-N 2 0 444.624 1.620 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)c2)CC1 ZINC001164790910 721482994 /nfs/dbraw/zinc/48/29/94/721482994.db2.gz HOFWIMZJAHEMHE-HKBOAZHASA-N 2 0 430.549 1.950 20 0 IDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164906857 721542964 /nfs/dbraw/zinc/54/29/64/721542964.db2.gz LOHSHDQMNQCSHF-UYAOXDASSA-N 2 0 425.508 1.608 20 0 IDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164906855 721543580 /nfs/dbraw/zinc/54/35/80/721543580.db2.gz LOHSHDQMNQCSHF-QUCCMNQESA-N 2 0 425.508 1.608 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164939049 721919391 /nfs/dbraw/zinc/91/93/91/721919391.db2.gz RZFZTCKUXCVFGE-ZJSXRUAMSA-N 2 0 444.576 1.931 20 0 IDADRP Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164975434 722093807 /nfs/dbraw/zinc/09/38/07/722093807.db2.gz GLXZWNKGDFVVQD-IRFCIJBXSA-N 2 0 440.548 1.454 20 0 IDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164985565 722151188 /nfs/dbraw/zinc/15/11/88/722151188.db2.gz ZVWMZHVZKIFKNF-FGZHOGPDSA-N 2 0 438.576 1.977 20 0 IDADRP CN1CCN(c2ncnc3c2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)CC1 ZINC001165002690 722239665 /nfs/dbraw/zinc/23/96/65/722239665.db2.gz XHCJRBXHDSTABL-UHFFFAOYSA-N 2 0 437.592 1.702 20 0 IDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164389452 718823716 /nfs/dbraw/zinc/82/37/16/718823716.db2.gz ILACXPAANFGIDA-LSTHTHJFSA-N 2 0 431.581 1.448 20 0 IDADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164614781 719006778 /nfs/dbraw/zinc/00/67/78/719006778.db2.gz GMUWZURDZWNOAO-MBSDFSHPSA-N 2 0 428.581 1.378 20 0 IDADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]CC2 ZINC001164626480 719052978 /nfs/dbraw/zinc/05/29/78/719052978.db2.gz RQZICHDAYVSVOK-GHTZIAJQSA-N 2 0 441.601 1.669 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)c2)CC1 ZINC001164697708 719884956 /nfs/dbraw/zinc/88/49/56/719884956.db2.gz DCYFSTWEKFHTRZ-UXPWSPDFSA-N 2 0 438.532 1.682 20 0 IDADRP Cn1nnc2c1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715311 720172214 /nfs/dbraw/zinc/17/22/14/720172214.db2.gz UNVLHHPIAFZMDV-KRWDZBQOSA-N 2 0 432.960 1.120 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717130 720192908 /nfs/dbraw/zinc/19/29/08/720192908.db2.gz SKMJOVMVAJUYQD-FQEVSTJZSA-N 3 0 440.596 1.354 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164831324 720327399 /nfs/dbraw/zinc/32/73/99/720327399.db2.gz QVVDNNNDTZAJAV-NHCUHLMSSA-N 2 0 426.609 1.745 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001164826618 720349034 /nfs/dbraw/zinc/34/90/34/720349034.db2.gz KNIKEGWYUPDYCQ-NHCUHLMSSA-N 2 0 442.608 1.767 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747657 720812941 /nfs/dbraw/zinc/81/29/41/720812941.db2.gz OUPLCJBSBFNXQN-NJDAHSKKSA-N 2 0 437.596 1.199 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737394 720816306 /nfs/dbraw/zinc/81/63/06/720816306.db2.gz AUWATTQOKGLBFK-FRQCXROJSA-N 2 0 428.972 1.747 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890763 721436285 /nfs/dbraw/zinc/43/62/85/721436285.db2.gz FGBVHFHRHFJFCX-REWPJTCUSA-N 2 0 430.597 1.373 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890762 721436476 /nfs/dbraw/zinc/43/64/76/721436476.db2.gz FGBVHFHRHFJFCX-OFNKIYASSA-N 2 0 430.597 1.373 20 0 IDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164785972 721450138 /nfs/dbraw/zinc/45/01/38/721450138.db2.gz KOQCQFMNQLDPCP-FQEVSTJZSA-N 2 0 429.609 1.899 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)c2)CC1 ZINC001164790909 721482954 /nfs/dbraw/zinc/48/29/54/721482954.db2.gz HOFWIMZJAHEMHE-HBMCJLEFSA-N 2 0 430.549 1.950 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)c2)CC1 ZINC001165023763 721778369 /nfs/dbraw/zinc/77/83/69/721778369.db2.gz UWGWUWNUDVVQAM-URXFXBBRSA-N 2 0 444.576 1.789 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914847 721791557 /nfs/dbraw/zinc/79/15/57/721791557.db2.gz GEZPXXFUAXYXMQ-XMMPIXPASA-N 2 0 438.576 1.512 20 0 IDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948962 721991479 /nfs/dbraw/zinc/99/14/79/721991479.db2.gz FPADOAADSOCJAM-AVRDEDQJSA-N 2 0 449.621 1.433 20 0 IDADRP [NH3+]C1CCN(c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164963301 722057784 /nfs/dbraw/zinc/05/77/84/722057784.db2.gz WEORWXUEJFTGOY-UHFFFAOYSA-N 2 0 437.592 1.918 20 0 IDADRP CC(C)C(=O)NCc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164988283 722190393 /nfs/dbraw/zinc/19/03/93/722190393.db2.gz FTYBBNVSZOPNLD-UHFFFAOYSA-N 2 0 427.553 1.829 20 0 IDADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164620213 719009468 /nfs/dbraw/zinc/00/94/68/719009468.db2.gz YASWESULCFCGDL-NTKDMRAZSA-N 2 0 427.593 1.983 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717660 720188340 /nfs/dbraw/zinc/18/83/40/720188340.db2.gz LDWLOXUFIDOHIL-FQEVSTJZSA-N 2 0 440.596 1.178 20 0 IDADRP CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001164730406 720324764 /nfs/dbraw/zinc/32/47/64/720324764.db2.gz ZHDCBMDGRYLDOJ-HBMCJLEFSA-N 2 0 432.565 1.786 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)nn2)CC1 ZINC001164842545 720741317 /nfs/dbraw/zinc/74/13/17/720741317.db2.gz FVEMHVXMBDETMM-UHFFFAOYSA-N 2 0 445.575 1.586 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741669 720810553 /nfs/dbraw/zinc/81/05/53/720810553.db2.gz BPOIJGVKUHCHPG-GPMSIDNRSA-N 2 0 428.972 1.747 20 0 IDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164743091 720836548 /nfs/dbraw/zinc/83/65/48/720836548.db2.gz INLRTMANVOOWCZ-YPAWHYETSA-N 2 0 436.608 1.804 20 0 IDADRP CCOC(=O)c1c[nH]c2cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]cc21 ZINC001164752469 720961709 /nfs/dbraw/zinc/96/17/09/720961709.db2.gz YPSOEWOSLPLSPJ-UHFFFAOYSA-N 2 0 426.477 1.582 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)C3)O2)CC1 ZINC001164892455 721423197 /nfs/dbraw/zinc/42/31/97/721423197.db2.gz YIQQBKRPVWJYBC-NFBKMPQASA-N 2 0 429.613 1.170 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)C3)O2)CC1 ZINC001164892460 721423220 /nfs/dbraw/zinc/42/32/20/721423220.db2.gz YIQQBKRPVWJYBC-OFNKIYASSA-N 2 0 429.613 1.170 20 0 IDADRP Cn1cccc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2COC[C@H]12 ZINC001164964507 722038038 /nfs/dbraw/zinc/03/80/38/722038038.db2.gz VPHUDCMRAXQAJF-DYXWJJEUSA-N 2 0 425.533 1.527 20 0 IDADRP COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)c2c1C[NH2+]C2 ZINC001164712783 720078851 /nfs/dbraw/zinc/07/88/51/720078851.db2.gz QEFFEFWCFDTRSF-HNNXBMFYSA-N 2 0 442.564 1.816 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)c2)CC1 ZINC001164713789 720086982 /nfs/dbraw/zinc/08/69/82/720086982.db2.gz UIYHWZVWHZSJPC-LGVFNWMJSA-N 2 0 444.576 1.930 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)c2)CC1 ZINC001164713786 720087176 /nfs/dbraw/zinc/08/71/76/720087176.db2.gz UIYHWZVWHZSJPC-HFMPRLQTSA-N 2 0 444.576 1.930 20 0 IDADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164709676 720102864 /nfs/dbraw/zinc/10/28/64/720102864.db2.gz CEVJIPAFIBHFDL-NRFANRHFSA-N 2 0 437.592 1.789 20 0 IDADRP Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC001164715627 720170326 /nfs/dbraw/zinc/17/03/26/720170326.db2.gz VJVOIBNPLHDEGU-LJQANCHMSA-N 2 0 426.569 1.730 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164831323 720327367 /nfs/dbraw/zinc/32/73/67/720327367.db2.gz QVVDNNNDTZAJAV-LEWJYISDSA-N 2 0 426.609 1.745 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@H]4C3)c2)CC1 ZINC001164857625 720913560 /nfs/dbraw/zinc/91/35/60/720913560.db2.gz MAKMBRQMZVLPSY-LKUPVBHCSA-N 2 0 441.532 1.814 20 0 IDADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001164757327 721024745 /nfs/dbraw/zinc/02/47/45/721024745.db2.gz DCHGTIQOCHSXFA-QGZVFWFLSA-N 2 0 438.536 1.582 20 0 IDADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001164757325 721025448 /nfs/dbraw/zinc/02/54/48/721025448.db2.gz DCHGTIQOCHSXFA-KRWDZBQOSA-N 2 0 438.536 1.582 20 0 IDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1 ZINC001164872469 721281790 /nfs/dbraw/zinc/28/17/90/721281790.db2.gz DUNYZTULBVOJSR-UHFFFAOYSA-N 3 0 430.597 1.016 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164887516 721338725 /nfs/dbraw/zinc/33/87/25/721338725.db2.gz VATGFQUMVTUPOA-NTKDMRAZSA-N 2 0 444.576 1.646 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890273 721427632 /nfs/dbraw/zinc/42/76/32/721427632.db2.gz CXNNJFRTUKQOQS-URXFXBBRSA-N 3 0 428.625 1.775 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896673 721444308 /nfs/dbraw/zinc/44/43/08/721444308.db2.gz RSMBFANVZMCAFE-ZJSXRUAMSA-N 2 0 444.624 1.620 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164958873 722053102 /nfs/dbraw/zinc/05/31/02/722053102.db2.gz HGYZBXXIPWNDQY-UHFFFAOYSA-N 2 0 437.592 1.742 20 0 IDADRP Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001164975435 722093775 /nfs/dbraw/zinc/09/37/75/722093775.db2.gz GLXZWNKGDFVVQD-QKNQBKEWSA-N 2 0 440.548 1.454 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)c2)CC1 ZINC001165001139 722247211 /nfs/dbraw/zinc/24/72/11/722247211.db2.gz MUYRBDCCNWDZRO-HSZRJFAPSA-N 2 0 440.548 1.457 20 0 IDADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164614773 719007136 /nfs/dbraw/zinc/00/71/36/719007136.db2.gz GMUWZURDZWNOAO-FDDCHVKYSA-N 2 0 428.581 1.378 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)c2)CC1 ZINC001164697705 719884963 /nfs/dbraw/zinc/88/49/63/719884963.db2.gz DCYFSTWEKFHTRZ-AHRSYUTCSA-N 2 0 438.532 1.682 20 0 IDADRP Cn1nnc2c1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718449 720190550 /nfs/dbraw/zinc/19/05/50/720190550.db2.gz ZJLOHRFUGOQGMJ-FQEVSTJZSA-N 2 0 426.569 1.288 20 0 IDADRP Cn1nnc2c1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717138 720193602 /nfs/dbraw/zinc/19/36/02/720193602.db2.gz SNZFGSGMCBNJIJ-IBGZPJMESA-N 2 0 431.972 1.725 20 0 IDADRP Cn1nnc2c1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717139 720194083 /nfs/dbraw/zinc/19/40/83/720194083.db2.gz SNZFGSGMCBNJIJ-LJQANCHMSA-N 2 0 431.972 1.725 20 0 IDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(OC3CC[NH2+]CC3)nn1)CCC2 ZINC001164812862 720238803 /nfs/dbraw/zinc/23/88/03/720238803.db2.gz JILHRWNMTWMPKL-UHFFFAOYSA-N 2 0 427.553 1.415 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001164827453 720340994 /nfs/dbraw/zinc/34/09/94/720340994.db2.gz LPWVSMFDPGHBPC-PMACEKPBSA-N 2 0 428.581 1.519 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737395 720816222 /nfs/dbraw/zinc/81/62/22/720816222.db2.gz AUWATTQOKGLBFK-GPMSIDNRSA-N 2 0 428.972 1.747 20 0 IDADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)[C@@H]2C ZINC001164859827 720923365 /nfs/dbraw/zinc/92/33/65/720923365.db2.gz QCJJZQYRBZGDBU-OAHLLOKOSA-N 2 0 447.609 1.186 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)CN(c3cncnc3)C(=O)CO4)c2)CC1 ZINC001164861999 721038797 /nfs/dbraw/zinc/03/87/97/721038797.db2.gz JLTCRIRYMYBWEF-UHFFFAOYSA-N 2 0 438.532 1.747 20 0 IDADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164778200 721339402 /nfs/dbraw/zinc/33/94/02/721339402.db2.gz KRECMERJGLQHMT-HSZRJFAPSA-N 2 0 441.580 1.610 20 0 IDADRP Cn1ccc(CN2CCOCC23CCN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)n1 ZINC001164936784 721907439 /nfs/dbraw/zinc/90/74/39/721907439.db2.gz VYHQHODHVNJMRP-UHFFFAOYSA-N 2 0 425.581 1.614 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)[nH+]2)CC1 ZINC001164947509 721977224 /nfs/dbraw/zinc/97/72/24/721977224.db2.gz PFVFUQHIYQSESX-UHFFFAOYSA-N 2 0 434.588 1.980 20 0 IDADRP C[N@@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@@H](CO)C3)C[C@H]21 ZINC001164667406 719417929 /nfs/dbraw/zinc/41/79/29/719417929.db2.gz FNRFENGMFUWKJP-NSISKUIASA-N 2 0 431.581 1.400 20 0 IDADRP COCCNC(=O)[C@H]1Cn2nccc2CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164695968 719829186 /nfs/dbraw/zinc/82/91/86/719829186.db2.gz HCPJCIRKDSGFPB-QGZVFWFLSA-N 2 0 428.537 1.150 20 0 IDADRP COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)c2c1C[NH2+]C2 ZINC001164712784 720078660 /nfs/dbraw/zinc/07/86/60/720078660.db2.gz QEFFEFWCFDTRSF-OAHLLOKOSA-N 2 0 442.564 1.816 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718121 720191508 /nfs/dbraw/zinc/19/15/08/720191508.db2.gz XDOYGHNKEPTCSI-IBGZPJMESA-N 2 0 427.553 1.263 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001164826577 720294239 /nfs/dbraw/zinc/29/42/39/720294239.db2.gz VRIWRIRBIPIADB-VQTJNVASSA-N 2 0 427.597 1.140 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001164826572 720294413 /nfs/dbraw/zinc/29/44/13/720294413.db2.gz VRIWRIRBIPIADB-PMACEKPBSA-N 2 0 427.597 1.140 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001164823934 720332313 /nfs/dbraw/zinc/33/23/13/720332313.db2.gz BSFJTEUFZAMMSH-RTWAWAEBSA-N 3 0 426.609 1.921 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751836 720841607 /nfs/dbraw/zinc/84/16/07/720841607.db2.gz ZBJPPKJSOUADTO-ILWGZMRPSA-N 3 0 436.608 1.980 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCn4c(CNC(=O)c5ccno5)cnc4C3)c2)CC1 ZINC001164769748 721269025 /nfs/dbraw/zinc/26/90/25/721269025.db2.gz ZKDFAAYKFIXTMD-UHFFFAOYSA-N 2 0 437.504 1.689 20 0 IDADRP Cn1cc(C(=O)N[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165012732 721758254 /nfs/dbraw/zinc/75/82/54/721758254.db2.gz GUTJPIHAKFUVGM-VWPQPMDRSA-N 2 0 440.548 1.454 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)c2)CC1 ZINC001165023765 721778168 /nfs/dbraw/zinc/77/81/68/721778168.db2.gz UWGWUWNUDVVQAM-ZJSXRUAMSA-N 2 0 444.576 1.789 20 0 IDADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165024850 721788293 /nfs/dbraw/zinc/78/82/93/721788293.db2.gz TZMVCVSWICHUOZ-HSZRJFAPSA-N 2 0 432.565 1.645 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164939045 721919499 /nfs/dbraw/zinc/91/94/99/721919499.db2.gz RZFZTCKUXCVFGE-URXFXBBRSA-N 2 0 444.576 1.931 20 0 IDADRP Cn1cccc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2COC[C@@H]12 ZINC001164964511 722038092 /nfs/dbraw/zinc/03/80/92/722038092.db2.gz VPHUDCMRAXQAJF-IRFCIJBXSA-N 2 0 425.533 1.527 20 0 IDADRP O=C(c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CC[NH2+]CC1 ZINC001164976094 722128886 /nfs/dbraw/zinc/12/88/86/722128886.db2.gz HBBLKZZDOJVFRS-IRLDBZIGSA-N 2 0 436.560 1.249 20 0 IDADRP Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C1 ZINC001165002790 722244481 /nfs/dbraw/zinc/24/44/81/722244481.db2.gz GFXCXTZUFZOSGJ-XMSQKQJNSA-N 2 0 439.560 1.871 20 0 IDADRP Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C1 ZINC001165002784 722244501 /nfs/dbraw/zinc/24/45/01/722244501.db2.gz GFXCXTZUFZOSGJ-AVRDEDQJSA-N 2 0 439.560 1.871 20 0 IDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164389453 718823492 /nfs/dbraw/zinc/82/34/92/718823492.db2.gz ILACXPAANFGIDA-UXPWSPDFSA-N 2 0 431.581 1.448 20 0 IDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164389451 718823810 /nfs/dbraw/zinc/82/38/10/718823810.db2.gz ILACXPAANFGIDA-FFZOFVMBSA-N 2 0 431.581 1.448 20 0 IDADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164620196 719009286 /nfs/dbraw/zinc/00/92/86/719009286.db2.gz YASWESULCFCGDL-CYFREDJKSA-N 2 0 427.593 1.983 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)c2)CC1 ZINC001164703612 719922575 /nfs/dbraw/zinc/92/25/75/719922575.db2.gz KYTHULFKVONYPD-QMMLZNLJSA-N 2 0 430.549 1.807 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)c2)CC1 ZINC001164713785 720087270 /nfs/dbraw/zinc/08/72/70/720087270.db2.gz UIYHWZVWHZSJPC-DPLHUUCSSA-N 2 0 444.576 1.930 20 0 IDADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164709677 720103384 /nfs/dbraw/zinc/10/33/84/720103384.db2.gz CEVJIPAFIBHFDL-OAQYLSRUSA-N 2 0 437.592 1.789 20 0 IDADRP Cn1nnc2c1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715639 720166082 /nfs/dbraw/zinc/16/60/82/720166082.db2.gz VMPDXECGHXSOIW-QGZVFWFLSA-N 2 0 432.960 1.120 20 0 IDADRP Cn1nnc2c1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718451 720190901 /nfs/dbraw/zinc/19/09/01/720190901.db2.gz ZJLOHRFUGOQGMJ-HXUWFJFHSA-N 2 0 426.569 1.288 20 0 IDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837269 720568954 /nfs/dbraw/zinc/56/89/54/720568954.db2.gz LNYQJVRYSRXPRI-RZUBCFFCSA-N 2 0 437.592 1.701 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@H]4C3)c2)CC1 ZINC001164857635 720913932 /nfs/dbraw/zinc/91/39/32/720913932.db2.gz MAKMBRQMZVLPSY-PBEJRMEISA-N 2 0 441.532 1.814 20 0 IDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)C1 ZINC001164876645 721292308 /nfs/dbraw/zinc/29/23/08/721292308.db2.gz KTJMPRAONPSSMI-UHFFFAOYSA-N 2 0 445.608 1.467 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890275 721427842 /nfs/dbraw/zinc/42/78/42/721427842.db2.gz CXNNJFRTUKQOQS-ZJSXRUAMSA-N 3 0 428.625 1.775 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)c2)CC1 ZINC001165023764 721778341 /nfs/dbraw/zinc/77/83/41/721778341.db2.gz UWGWUWNUDVVQAM-XUZZJYLKSA-N 2 0 444.576 1.789 20 0 IDADRP Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C1 ZINC001165002788 722244706 /nfs/dbraw/zinc/24/47/06/722244706.db2.gz GFXCXTZUFZOSGJ-PGRDOPGGSA-N 2 0 439.560 1.871 20 0 IDADRP C[N@@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164667407 719419861 /nfs/dbraw/zinc/41/98/61/719419861.db2.gz FNRFENGMFUWKJP-PWIZWCRZSA-N 2 0 431.581 1.400 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717662 720188182 /nfs/dbraw/zinc/18/81/82/720188182.db2.gz LDWLOXUFIDOHIL-HXUWFJFHSA-N 2 0 440.596 1.178 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001164826578 720294463 /nfs/dbraw/zinc/29/44/63/720294463.db2.gz VRIWRIRBIPIADB-WOJBJXKFSA-N 2 0 427.597 1.140 20 0 IDADRP CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001164730409 720324354 /nfs/dbraw/zinc/32/43/54/720324354.db2.gz ZHDCBMDGRYLDOJ-HKBOAZHASA-N 2 0 432.565 1.786 20 0 IDADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@H](CCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001164730411 720324651 /nfs/dbraw/zinc/32/46/51/720324651.db2.gz ZHDCBMDGRYLDOJ-NJYVYQBISA-N 2 0 432.565 1.786 20 0 IDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1 ZINC001164872889 721282888 /nfs/dbraw/zinc/28/28/88/721282888.db2.gz HGSMBRXSTVQADF-UHFFFAOYSA-N 2 0 445.608 1.563 20 0 IDADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)[nH+]cc21 ZINC001164875586 721284260 /nfs/dbraw/zinc/28/42/60/721284260.db2.gz XKQWVGNQWCBVFT-UHFFFAOYSA-N 2 0 443.548 1.747 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164887514 721338827 /nfs/dbraw/zinc/33/88/27/721338827.db2.gz VATGFQUMVTUPOA-CYFREDJKSA-N 2 0 444.576 1.646 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164887517 721338931 /nfs/dbraw/zinc/33/89/31/721338931.db2.gz VATGFQUMVTUPOA-YADARESESA-N 2 0 444.576 1.646 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)C3)O2)CC1 ZINC001164892458 721423264 /nfs/dbraw/zinc/42/32/64/721423264.db2.gz YIQQBKRPVWJYBC-NZQKXSOJSA-N 2 0 429.613 1.170 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)C3)O2)CC1 ZINC001164892462 721423840 /nfs/dbraw/zinc/42/38/40/721423840.db2.gz YIQQBKRPVWJYBC-REWPJTCUSA-N 2 0 429.613 1.170 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890761 721436651 /nfs/dbraw/zinc/43/66/51/721436651.db2.gz FGBVHFHRHFJFCX-NZQKXSOJSA-N 2 0 430.597 1.373 20 0 IDADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001164796423 721522830 /nfs/dbraw/zinc/52/28/30/721522830.db2.gz YIWZPVZOPDSULX-UHFFFAOYSA-N 2 0 425.581 1.424 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164939047 721919310 /nfs/dbraw/zinc/91/93/10/721919310.db2.gz RZFZTCKUXCVFGE-XUZZJYLKSA-N 2 0 444.576 1.931 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164938836 721919482 /nfs/dbraw/zinc/91/94/82/721919482.db2.gz RZFZTCKUXCVFGE-QPPBQGQZSA-N 2 0 444.576 1.931 20 0 IDADRP Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@H]21 ZINC001164975437 722093784 /nfs/dbraw/zinc/09/37/84/722093784.db2.gz GLXZWNKGDFVVQD-ZVDOUQERSA-N 2 0 440.548 1.454 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)c2)CC1 ZINC001165001140 722247068 /nfs/dbraw/zinc/24/70/68/722247068.db2.gz MUYRBDCCNWDZRO-QHCPKHFHSA-N 2 0 440.548 1.457 20 0 IDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164389454 718823561 /nfs/dbraw/zinc/82/35/61/718823561.db2.gz ILACXPAANFGIDA-VDGAXYAQSA-N 2 0 431.581 1.448 20 0 IDADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431785 718970063 /nfs/dbraw/zinc/97/00/63/718970063.db2.gz BIPYZYOFXRHTPY-RTBURBONSA-N 2 0 427.471 1.355 20 0 IDADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164620204 719009523 /nfs/dbraw/zinc/00/95/23/719009523.db2.gz YASWESULCFCGDL-DVECYGJZSA-N 2 0 427.593 1.983 20 0 IDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH+](C)CC3)nn1)CCC2 ZINC001164810281 720213283 /nfs/dbraw/zinc/21/32/83/720213283.db2.gz AZBOFRHMKUDRAA-UHFFFAOYSA-N 2 0 426.569 1.036 20 0 IDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CC[NH+](C)CC3)n1)CCC2 ZINC001164813903 720228771 /nfs/dbraw/zinc/22/87/71/720228771.db2.gz RHZXNEGYHWDGDB-UHFFFAOYSA-N 2 0 425.581 1.641 20 0 IDADRP O=C(c1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164818563 720248182 /nfs/dbraw/zinc/24/81/82/720248182.db2.gz ZLOCIGOYEHSNSR-UHFFFAOYSA-N 2 0 444.539 1.901 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164829756 720328522 /nfs/dbraw/zinc/32/85/22/720328522.db2.gz NJWLOUZNFBVKPF-WOJBJXKFSA-N 2 0 427.597 1.316 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164829752 720328661 /nfs/dbraw/zinc/32/86/61/720328661.db2.gz NJWLOUZNFBVKPF-UXHICEINSA-N 2 0 427.597 1.316 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001164823930 720332533 /nfs/dbraw/zinc/33/25/33/720332533.db2.gz BSFJTEUFZAMMSH-LEWJYISDSA-N 3 0 426.609 1.921 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001164827456 720340884 /nfs/dbraw/zinc/34/08/84/720340884.db2.gz LPWVSMFDPGHBPC-WOJBJXKFSA-N 2 0 428.581 1.519 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747658 720812569 /nfs/dbraw/zinc/81/25/69/720812569.db2.gz OUPLCJBSBFNXQN-PCCBWWKXSA-N 2 0 437.596 1.199 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737396 720816108 /nfs/dbraw/zinc/81/61/08/720816108.db2.gz AUWATTQOKGLBFK-JTDSTZFVSA-N 2 0 428.972 1.747 20 0 IDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164743090 720836817 /nfs/dbraw/zinc/83/68/17/720836817.db2.gz INLRTMANVOOWCZ-FDFHNCONSA-N 2 0 436.608 1.804 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164887515 721338559 /nfs/dbraw/zinc/33/85/59/721338559.db2.gz VATGFQUMVTUPOA-DVECYGJZSA-N 2 0 444.576 1.646 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896660 721444328 /nfs/dbraw/zinc/44/43/28/721444328.db2.gz RSMBFANVZMCAFE-QPPBQGQZSA-N 2 0 444.624 1.620 20 0 IDADRP Cn1cc(C(=O)N[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]3CCCO[C@H]23)cn1 ZINC001165012725 721758449 /nfs/dbraw/zinc/75/84/49/721758449.db2.gz GUTJPIHAKFUVGM-JAXLGGSGSA-N 2 0 440.548 1.454 20 0 IDADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164620220 719010039 /nfs/dbraw/zinc/01/00/39/719010039.db2.gz YASWESULCFCGDL-YADARESESA-N 2 0 427.593 1.983 20 0 IDADRP Cc1cc(N2CCCC2)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164711455 720163773 /nfs/dbraw/zinc/16/37/73/720163773.db2.gz BYGZQAGQCHOKRB-LJQANCHMSA-N 2 0 426.569 1.730 20 0 IDADRP Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC001164715625 720170227 /nfs/dbraw/zinc/17/02/27/720170227.db2.gz VJVOIBNPLHDEGU-IBGZPJMESA-N 2 0 426.569 1.730 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718122 720191682 /nfs/dbraw/zinc/19/16/82/720191682.db2.gz XDOYGHNKEPTCSI-LJQANCHMSA-N 2 0 427.553 1.263 20 0 IDADRP Cn1nnc2c1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717131 720192517 /nfs/dbraw/zinc/19/25/17/720192517.db2.gz SKMJOVMVAJUYQD-HXUWFJFHSA-N 3 0 440.596 1.354 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164829754 720329010 /nfs/dbraw/zinc/32/90/10/720329010.db2.gz NJWLOUZNFBVKPF-VQTJNVASSA-N 2 0 427.597 1.316 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001164827455 720340628 /nfs/dbraw/zinc/34/06/28/720340628.db2.gz LPWVSMFDPGHBPC-VQTJNVASSA-N 2 0 428.581 1.519 20 0 IDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001164837272 720568331 /nfs/dbraw/zinc/56/83/31/720568331.db2.gz LNYQJVRYSRXPRI-URVUXULASA-N 2 0 437.592 1.701 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@@H]4C3)c2)CC1 ZINC001164857619 720913797 /nfs/dbraw/zinc/91/37/97/720913797.db2.gz MAKMBRQMZVLPSY-BSIFCXSSSA-N 2 0 441.532 1.814 20 0 IDADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164754522 720970098 /nfs/dbraw/zinc/97/00/98/720970098.db2.gz SZHVQZAOCUSKBU-UHFFFAOYSA-N 2 0 428.537 1.302 20 0 IDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164790218 721453698 /nfs/dbraw/zinc/45/36/98/721453698.db2.gz XLLYBNGDIVEIFN-NRFANRHFSA-N 2 0 444.624 1.620 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)c2)CC1 ZINC001164790912 721483279 /nfs/dbraw/zinc/48/32/79/721483279.db2.gz HOFWIMZJAHEMHE-NJYVYQBISA-N 2 0 430.549 1.950 20 0 IDADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165024851 721788052 /nfs/dbraw/zinc/78/80/52/721788052.db2.gz TZMVCVSWICHUOZ-QHCPKHFHSA-N 2 0 432.565 1.645 20 0 IDADRP C[NH+]1CCN(c2cccc(N(C[C@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948974 721991376 /nfs/dbraw/zinc/99/13/76/721991376.db2.gz FPADOAADSOCJAM-XMSQKQJNSA-N 2 0 449.621 1.433 20 0 IDADRP Cn1cccc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2COC[C@H]12 ZINC001164964513 722038066 /nfs/dbraw/zinc/03/80/66/722038066.db2.gz VPHUDCMRAXQAJF-SVFBPWRDSA-N 2 0 425.533 1.527 20 0 IDADRP CC(C)C(=O)N1CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C[C@]2(CCCC(=O)N2)C1 ZINC001164978314 722088604 /nfs/dbraw/zinc/08/86/04/722088604.db2.gz YROPIBWOZUJDTQ-XMMPIXPASA-N 2 0 443.592 1.898 20 0 IDADRP O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164976095 722129277 /nfs/dbraw/zinc/12/92/77/722129277.db2.gz HBBLKZZDOJVFRS-RBBKRZOGSA-N 2 0 436.560 1.249 20 0 IDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164985569 722150826 /nfs/dbraw/zinc/15/08/26/722150826.db2.gz ZVWMZHVZKIFKNF-YADHBBJMSA-N 2 0 438.576 1.977 20 0 IDADRP C[NH+](C)CCOCc1[nH+]cn2c1CN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CCC2 ZINC001165000950 722252291 /nfs/dbraw/zinc/25/22/91/722252291.db2.gz XDFXHQZTIRGDHT-UHFFFAOYSA-N 2 0 433.538 1.046 20 0 IDADRP CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001164617534 719029172 /nfs/dbraw/zinc/02/91/72/719029172.db2.gz NWLBYJQIZUVPJN-UHFFFAOYSA-N 2 0 429.565 1.371 20 0 IDADRP C[N@@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417648 /nfs/dbraw/zinc/41/76/48/719417648.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 2 0 431.581 1.400 20 0 IDADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164695967 719829111 /nfs/dbraw/zinc/82/91/11/719829111.db2.gz HCPJCIRKDSGFPB-KRWDZBQOSA-N 2 0 428.537 1.150 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001164826614 720348691 /nfs/dbraw/zinc/34/86/91/720348691.db2.gz KNIKEGWYUPDYCQ-LEWJYISDSA-N 2 0 442.608 1.767 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741671 720810289 /nfs/dbraw/zinc/81/02/89/720810289.db2.gz BPOIJGVKUHCHPG-JTDSTZFVSA-N 2 0 428.972 1.747 20 0 IDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747661 720812794 /nfs/dbraw/zinc/81/27/94/720812794.db2.gz OUPLCJBSBFNXQN-QHAWAJNXSA-N 2 0 437.596 1.199 20 0 IDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164743087 720837099 /nfs/dbraw/zinc/83/70/99/720837099.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 2 0 436.608 1.804 20 0 IDADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)[C@H]2C ZINC001164859821 720922055 /nfs/dbraw/zinc/92/20/55/720922055.db2.gz QCJJZQYRBZGDBU-HNNXBMFYSA-N 2 0 447.609 1.186 20 0 IDADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164778201 721339690 /nfs/dbraw/zinc/33/96/90/721339690.db2.gz KRECMERJGLQHMT-QHCPKHFHSA-N 2 0 441.580 1.610 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896668 721443979 /nfs/dbraw/zinc/44/39/79/721443979.db2.gz RSMBFANVZMCAFE-XUZZJYLKSA-N 2 0 444.624 1.620 20 0 IDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164784641 721461051 /nfs/dbraw/zinc/46/10/51/721461051.db2.gz JCPHCDXMRJZKCZ-NRFANRHFSA-N 2 0 444.624 1.620 20 0 IDADRP Cn1cc(C(=O)N[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165012730 721758182 /nfs/dbraw/zinc/75/81/82/721758182.db2.gz GUTJPIHAKFUVGM-TUNNFDKTSA-N 2 0 440.548 1.454 20 0 IDADRP O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CC[NH2+]CC1 ZINC001164976096 722129092 /nfs/dbraw/zinc/12/90/92/722129092.db2.gz HBBLKZZDOJVFRS-UNMCSNQZSA-N 2 0 436.560 1.249 20 0 IDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164985564 722150858 /nfs/dbraw/zinc/15/08/58/722150858.db2.gz ZVWMZHVZKIFKNF-FCHUYYIVSA-N 2 0 438.576 1.977 20 0 IDADRP Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164973007 722160415 /nfs/dbraw/zinc/16/04/15/722160415.db2.gz JUVWULICHAFLMU-UHFFFAOYSA-N 2 0 426.521 1.281 20 0 IDADRP C[NH+](C)CCOCc1ncn2c1CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CCC2 ZINC001165004271 722257475 /nfs/dbraw/zinc/25/74/75/722257475.db2.gz PBVQKSWOAINEGG-UHFFFAOYSA-N 2 0 429.569 1.540 20 0 IDADRP COCCN1CCN(C)C2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1=O ZINC001164644310 719283724 /nfs/dbraw/zinc/28/37/24/719283724.db2.gz HUAQIJDURWIFQZ-UHFFFAOYSA-N 2 0 431.581 1.314 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)c2)CC1 ZINC001164703606 719922872 /nfs/dbraw/zinc/92/28/72/719922872.db2.gz KYTHULFKVONYPD-DUXKGJEZSA-N 2 0 430.549 1.807 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)c2)CC1 ZINC001164713788 720087368 /nfs/dbraw/zinc/08/73/68/720087368.db2.gz UIYHWZVWHZSJPC-IMSXRSKXSA-N 2 0 444.576 1.930 20 0 IDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CCC2 ZINC001164816760 720242649 /nfs/dbraw/zinc/24/26/49/720242649.db2.gz MHMBPZHGKZQBQM-UHFFFAOYSA-N 2 0 441.580 1.662 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164831325 720326994 /nfs/dbraw/zinc/32/69/94/720326994.db2.gz QVVDNNNDTZAJAV-RTWAWAEBSA-N 2 0 426.609 1.745 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001164823354 720327605 /nfs/dbraw/zinc/32/76/05/720327605.db2.gz ATOREQQDAMFBMQ-NHCUHLMSSA-N 2 0 440.592 1.039 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001164827454 720340922 /nfs/dbraw/zinc/34/09/22/720340922.db2.gz LPWVSMFDPGHBPC-UXHICEINSA-N 2 0 428.581 1.519 20 0 IDADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164750927 720961202 /nfs/dbraw/zinc/96/12/02/720961202.db2.gz MQVKTARITVUXIF-UHFFFAOYSA-N 2 0 428.537 1.398 20 0 IDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890274 721427441 /nfs/dbraw/zinc/42/74/41/721427441.db2.gz CXNNJFRTUKQOQS-XUZZJYLKSA-N 3 0 428.625 1.775 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890760 721436394 /nfs/dbraw/zinc/43/63/94/721436394.db2.gz FGBVHFHRHFJFCX-NFBKMPQASA-N 2 0 430.597 1.373 20 0 IDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164906849 721542842 /nfs/dbraw/zinc/54/28/42/721542842.db2.gz LOHSHDQMNQCSHF-AZUAARDMSA-N 2 0 425.508 1.608 20 0 IDADRP Cn1cc(C(=O)N[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165012727 721758099 /nfs/dbraw/zinc/75/80/99/721758099.db2.gz GUTJPIHAKFUVGM-ONTIZHBOSA-N 2 0 440.548 1.454 20 0 IDADRP O=C(c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164976092 722129161 /nfs/dbraw/zinc/12/91/61/722129161.db2.gz HBBLKZZDOJVFRS-IFMALSPDSA-N 2 0 436.560 1.249 20 0 IDADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164989340 722189053 /nfs/dbraw/zinc/18/90/53/722189053.db2.gz CBJOQMSPLYOPNK-UHFFFAOYSA-N 2 0 439.560 1.410 20 0 IDADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431784 718969560 /nfs/dbraw/zinc/96/95/60/718969560.db2.gz BIPYZYOFXRHTPY-RBUKOAKNSA-N 2 0 427.471 1.355 20 0 IDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCC([NH3+])CC3)n1)CCC2 ZINC001164812355 720232209 /nfs/dbraw/zinc/23/22/09/720232209.db2.gz GFDGPNPYVBVFOU-UHFFFAOYSA-N 2 0 425.581 1.816 20 0 IDADRP CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725926 720303779 /nfs/dbraw/zinc/30/37/79/720303779.db2.gz XFFNAMLLGZSMEU-HSZRJFAPSA-N 2 0 431.581 1.219 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001164823355 720327133 /nfs/dbraw/zinc/32/71/33/720327133.db2.gz ATOREQQDAMFBMQ-RTWAWAEBSA-N 2 0 440.592 1.039 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001164823353 720327492 /nfs/dbraw/zinc/32/74/92/720327492.db2.gz ATOREQQDAMFBMQ-LEWJYISDSA-N 2 0 440.592 1.039 20 0 IDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750376 720849054 /nfs/dbraw/zinc/84/90/54/720849054.db2.gz XJQIZRIQXCOYAY-DYXWJJEUSA-N 2 0 438.580 1.578 20 0 IDADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164748803 720951103 /nfs/dbraw/zinc/95/11/03/720951103.db2.gz CWRJNCWTBTZBDU-UHFFFAOYSA-N 2 0 433.944 1.439 20 0 IDADRP C[NH+]1CCN(c2cccc(N(C[C@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948964 721991296 /nfs/dbraw/zinc/99/12/96/721991296.db2.gz FPADOAADSOCJAM-GCJKJVERSA-N 2 0 449.621 1.433 20 0 IDADRP Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164975436 722093749 /nfs/dbraw/zinc/09/37/49/722093749.db2.gz GLXZWNKGDFVVQD-ZJOUEHCJSA-N 2 0 440.548 1.454 20 0 IDADRP C[N@@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@H](CO)C3)C[C@@H]21 ZINC001164667404 719418394 /nfs/dbraw/zinc/41/83/94/719418394.db2.gz FNRFENGMFUWKJP-FFZOFVMBSA-N 2 0 431.581 1.400 20 0 IDADRP Cn1nnc2c1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715637 720166198 /nfs/dbraw/zinc/16/61/98/720166198.db2.gz VMPDXECGHXSOIW-KRWDZBQOSA-N 2 0 432.960 1.120 20 0 IDADRP CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725933 720302902 /nfs/dbraw/zinc/30/29/02/720302902.db2.gz XFFNAMLLGZSMEU-QHCPKHFHSA-N 2 0 431.581 1.219 20 0 IDADRP CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001164730404 720324291 /nfs/dbraw/zinc/32/42/91/720324291.db2.gz ZHDCBMDGRYLDOJ-ACRUOGEOSA-N 2 0 432.565 1.786 20 0 IDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001164837266 720568568 /nfs/dbraw/zinc/56/85/68/720568568.db2.gz LNYQJVRYSRXPRI-ONTIZHBOSA-N 2 0 437.592 1.701 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741666 720810447 /nfs/dbraw/zinc/81/04/47/720810447.db2.gz BPOIJGVKUHCHPG-FRQCXROJSA-N 2 0 428.972 1.747 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741673 720810655 /nfs/dbraw/zinc/81/06/55/720810655.db2.gz BPOIJGVKUHCHPG-TXPKVOOTSA-N 2 0 428.972 1.747 20 0 IDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164743089 720836784 /nfs/dbraw/zinc/83/67/84/720836784.db2.gz INLRTMANVOOWCZ-BHIFYINESA-N 2 0 436.608 1.804 20 0 IDADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751834 720841941 /nfs/dbraw/zinc/84/19/41/720841941.db2.gz ZBJPPKJSOUADTO-BAGYTPMASA-N 3 0 436.608 1.980 20 0 IDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750378 720849230 /nfs/dbraw/zinc/84/92/30/720849230.db2.gz XJQIZRIQXCOYAY-IRFCIJBXSA-N 2 0 438.580 1.578 20 0 IDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1 ZINC001164873856 721291634 /nfs/dbraw/zinc/29/16/34/721291634.db2.gz BZUZXHJXJKXZFB-UHFFFAOYSA-N 3 0 445.608 1.562 20 0 IDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890272 721427775 /nfs/dbraw/zinc/42/77/75/721427775.db2.gz CXNNJFRTUKQOQS-QPPBQGQZSA-N 3 0 428.625 1.775 20 0 IDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164785973 721450046 /nfs/dbraw/zinc/45/00/46/721450046.db2.gz KOQCQFMNQLDPCP-HXUWFJFHSA-N 2 0 429.609 1.899 20 0 IDADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164794472 721511142 /nfs/dbraw/zinc/51/11/42/721511142.db2.gz QNJTXIBWBPUZNB-UHFFFAOYSA-N 2 0 430.988 1.561 20 0 IDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948968 721991448 /nfs/dbraw/zinc/99/14/48/721991448.db2.gz FPADOAADSOCJAM-PGRDOPGGSA-N 2 0 449.621 1.433 20 0 IDADRP CC(C)C(=O)N1CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164978310 722088585 /nfs/dbraw/zinc/08/85/85/722088585.db2.gz YROPIBWOZUJDTQ-DEOSSOPVSA-N 2 0 443.592 1.898 20 0 IDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164985567 722151060 /nfs/dbraw/zinc/15/10/60/722151060.db2.gz ZVWMZHVZKIFKNF-VXKWHMMOSA-N 2 0 438.576 1.977 20 0 IDADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431783 718969824 /nfs/dbraw/zinc/96/98/24/718969824.db2.gz BIPYZYOFXRHTPY-OALUTQOASA-N 2 0 427.471 1.355 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)c2)CC1 ZINC001164697707 719885181 /nfs/dbraw/zinc/88/51/81/719885181.db2.gz DCYFSTWEKFHTRZ-NSISKUIASA-N 2 0 438.532 1.682 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)c2)CC1 ZINC001164703615 719922747 /nfs/dbraw/zinc/92/27/47/719922747.db2.gz KYTHULFKVONYPD-UIFIKXQLSA-N 2 0 430.549 1.807 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@H]4C3)c2)CC1 ZINC001164703610 719923031 /nfs/dbraw/zinc/92/30/31/719923031.db2.gz KYTHULFKVONYPD-JRGCBEDISA-N 2 0 430.549 1.807 20 0 IDADRP Cn1nnc2c1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715316 720172245 /nfs/dbraw/zinc/17/22/45/720172245.db2.gz UNVLHHPIAFZMDV-QGZVFWFLSA-N 2 0 432.960 1.120 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001164823356 720326970 /nfs/dbraw/zinc/32/69/70/720326970.db2.gz ATOREQQDAMFBMQ-SFTDATJTSA-N 2 0 440.592 1.039 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001164823936 720332738 /nfs/dbraw/zinc/33/27/38/720332738.db2.gz BSFJTEUFZAMMSH-SFTDATJTSA-N 3 0 426.609 1.921 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001164826621 720348651 /nfs/dbraw/zinc/34/86/51/720348651.db2.gz KNIKEGWYUPDYCQ-RTWAWAEBSA-N 2 0 442.608 1.767 20 0 IDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001164826624 720348859 /nfs/dbraw/zinc/34/88/59/720348859.db2.gz KNIKEGWYUPDYCQ-SFTDATJTSA-N 2 0 442.608 1.767 20 0 IDADRP CN1CCN(c2nccc(N(c3nc(N4CCCC4)nc4c3C[NH2+]CC4)C3CC3)n2)CC1 ZINC001164845176 720743590 /nfs/dbraw/zinc/74/35/90/720743590.db2.gz WOYATWGWONKEMX-UHFFFAOYSA-N 2 0 435.580 1.565 20 0 IDADRP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737397 720816246 /nfs/dbraw/zinc/81/62/46/720816246.db2.gz AUWATTQOKGLBFK-TXPKVOOTSA-N 2 0 428.972 1.747 20 0 IDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750379 720848927 /nfs/dbraw/zinc/84/89/27/720848927.db2.gz XJQIZRIQXCOYAY-SVFBPWRDSA-N 2 0 438.580 1.578 20 0 IDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164790224 721453870 /nfs/dbraw/zinc/45/38/70/721453870.db2.gz XLLYBNGDIVEIFN-OAQYLSRUSA-N 2 0 444.624 1.620 20 0 IDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)c2)CC1 ZINC001164790907 721483118 /nfs/dbraw/zinc/48/31/18/721483118.db2.gz HOFWIMZJAHEMHE-ACRUOGEOSA-N 2 0 430.549 1.950 20 0 IDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164906853 721543169 /nfs/dbraw/zinc/54/31/69/721543169.db2.gz LOHSHDQMNQCSHF-ICSRJNTNSA-N 2 0 425.508 1.608 20 0 IDADRP