smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821615912 945746872 /nfs/dbraw/zinc/74/68/72/945746872.db2.gz UKHDYNYBXNNURL-UHFFFAOYSA-N 2 0 388.475 3.382 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824579463 946827173 /nfs/dbraw/zinc/82/71/73/946827173.db2.gz ZMDJQVQURABFNI-PKOBYXMFSA-N 2 0 376.508 3.430 20 0 GGADRP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000116349981 1126075766 /nfs/dbraw/zinc/07/57/66/1126075766.db2.gz XVXOVMYQTGWPIZ-OAQYLSRUSA-N 2 0 393.531 3.336 20 0 GGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(-c3cccs3)s1)C2 ZINC000922386629 1126134672 /nfs/dbraw/zinc/13/46/72/1126134672.db2.gz HHTQXMAYAIPDQR-RRIFGTCXSA-N 2 0 377.579 3.441 20 0 GGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]Cc1cnc(-c3cccs3)s1)C2 ZINC001550421871 1126206411 /nfs/dbraw/zinc/20/64/11/1126206411.db2.gz HHTQXMAYAIPDQR-HIRMHNASSA-N 2 0 377.579 3.441 20 0 GGADRP Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC001656370875 1126257779 /nfs/dbraw/zinc/25/77/79/1126257779.db2.gz HOVFEPYQJXTFDN-HSZRJFAPSA-N 2 0 382.548 3.471 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223734 205170886 /nfs/dbraw/zinc/17/08/86/205170886.db2.gz ZVZDMWIYLJOOKM-QGZVFWFLSA-N 2 0 388.581 3.103 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000118841295 564247411 /nfs/dbraw/zinc/24/74/11/564247411.db2.gz GLGKHMXOEGUZAH-CYBMUJFWSA-N 2 0 386.309 3.190 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868689 564247457 /nfs/dbraw/zinc/24/74/57/564247457.db2.gz KOBJGKNOHATWAH-CQSZACIVSA-N 2 0 382.346 3.440 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000120890763 564341927 /nfs/dbraw/zinc/34/19/27/564341927.db2.gz HQQBUMLSNLJQFG-CRAIPNDOSA-N 2 0 396.373 3.136 20 0 GGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1Br ZINC000120978836 564347081 /nfs/dbraw/zinc/34/70/81/564347081.db2.gz CHPFJVYSLXSBBI-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP Cc1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Br ZINC000120978656 564347142 /nfs/dbraw/zinc/34/71/42/564347142.db2.gz YJNADWJUFRAVGR-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000121020873 564349175 /nfs/dbraw/zinc/34/91/75/564349175.db2.gz HYXHLHDRPFSMDT-QAPCUYQASA-N 2 0 396.373 3.136 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000121020568 564349265 /nfs/dbraw/zinc/34/92/65/564349265.db2.gz HYXHLHDRPFSMDT-CRAIPNDOSA-N 2 0 396.373 3.136 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000123882004 564464351 /nfs/dbraw/zinc/46/43/51/564464351.db2.gz ODROZHGCOATLMX-UHFFFAOYSA-N 2 0 390.325 3.030 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000123878877 564464561 /nfs/dbraw/zinc/46/45/61/564464561.db2.gz LMXNYZUCTFGHPK-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000124345827 564479548 /nfs/dbraw/zinc/47/95/48/564479548.db2.gz OVTGMQAJYGFMKI-LJQANCHMSA-N 2 0 380.374 3.300 20 0 GGADRP COCCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127485187 564585690 /nfs/dbraw/zinc/58/56/90/564585690.db2.gz JSTBZHAOFXTIJT-VQIMIIECSA-N 2 0 398.389 3.142 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Br)c21 ZINC000128136455 564608182 /nfs/dbraw/zinc/60/81/82/564608182.db2.gz XKMJGUANRHPDIV-KEYYUXOJSA-N 2 0 394.357 3.174 20 0 GGADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000128169474 564609311 /nfs/dbraw/zinc/60/93/11/564609311.db2.gz DORSDYZETQQNBX-RDJZCZTQSA-N 2 0 382.346 3.077 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Br ZINC000128236093 564611514 /nfs/dbraw/zinc/61/15/14/564611514.db2.gz GOXNRJVYUVXSAR-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000056523119 564649840 /nfs/dbraw/zinc/64/98/40/564649840.db2.gz FHRXPIXVXSPIME-INIZCTEOSA-N 2 0 375.340 3.397 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000056524819 564649851 /nfs/dbraw/zinc/64/98/51/564649851.db2.gz QEROUPFHUQGFFF-OAHLLOKOSA-N 2 0 396.373 3.290 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000132343647 564741071 /nfs/dbraw/zinc/74/10/71/564741071.db2.gz NXHRFMDOHRSWRH-UHFFFAOYSA-N 2 0 380.842 3.316 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)N1CC[NH+](C)CC1 ZINC000132428884 564742664 /nfs/dbraw/zinc/74/26/64/564742664.db2.gz VXNNWBRNFJWKTO-RBUKOAKNSA-N 2 0 398.364 3.437 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000135298693 564827055 /nfs/dbraw/zinc/82/70/55/564827055.db2.gz WWZHKWMZCZGNMN-UHFFFAOYSA-N 2 0 377.124 3.038 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134378999 564801203 /nfs/dbraw/zinc/80/12/03/564801203.db2.gz UQHAEEYWGAPXJS-KBXCAEBGSA-N 2 0 398.364 3.439 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000077752480 564863070 /nfs/dbraw/zinc/86/30/70/564863070.db2.gz HDWPCUXTLYSPIB-ZDUSSCGKSA-N 2 0 375.344 3.189 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Br)CC[C@@H]21 ZINC000139914876 564870296 /nfs/dbraw/zinc/87/02/96/564870296.db2.gz FWAZLEPUTIDJEE-YOEHRIQHSA-N 2 0 380.330 3.194 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000150967953 564899636 /nfs/dbraw/zinc/89/96/36/564899636.db2.gz KLUSPHMTXQATOZ-GOSISDBHSA-N 2 0 396.373 3.278 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000150989758 564900690 /nfs/dbraw/zinc/90/06/90/564900690.db2.gz FQWBISKQCGGWIR-MRXNPFEDSA-N 2 0 395.345 3.286 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422210 564929455 /nfs/dbraw/zinc/92/94/55/564929455.db2.gz WUACARQCPQTKNR-UHFFFAOYSA-N 2 0 384.351 3.386 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000151845988 564938898 /nfs/dbraw/zinc/93/88/98/564938898.db2.gz HGCBUYSCCKZKOM-INIZCTEOSA-N 2 0 385.371 3.280 20 0 GGADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151840663 564939435 /nfs/dbraw/zinc/93/94/35/564939435.db2.gz SELCTBMIOLOPJH-UONOGXRCSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)N1CC[NH+](C)CC1 ZINC000105466408 564967165 /nfs/dbraw/zinc/96/71/65/564967165.db2.gz BDKVYQDJFSZZQZ-HNNXBMFYSA-N 2 0 392.341 3.435 20 0 GGADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)N1CC[NH+](C)CC1 ZINC000105466413 564967261 /nfs/dbraw/zinc/96/72/61/564967261.db2.gz BDKVYQDJFSZZQZ-OAHLLOKOSA-N 2 0 392.341 3.435 20 0 GGADRP O=C(NCCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000152677728 564967949 /nfs/dbraw/zinc/96/79/49/564967949.db2.gz UTFRJVLJPFMELG-UHFFFAOYSA-N 2 0 394.357 3.033 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000152690702 564968761 /nfs/dbraw/zinc/96/87/61/564968761.db2.gz WVRIVQOMFMHQCX-UHFFFAOYSA-N 2 0 382.346 3.031 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)c2cccs2)CC1 ZINC000153289801 564989965 /nfs/dbraw/zinc/98/99/65/564989965.db2.gz CDVWTTXIVRGLHM-SJORKVTESA-N 2 0 381.611 3.075 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154259981 565032042 /nfs/dbraw/zinc/03/20/42/565032042.db2.gz XVQHVZURZSEPPX-GOSISDBHSA-N 2 0 396.373 3.280 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000154459480 565039822 /nfs/dbraw/zinc/03/98/22/565039822.db2.gz SRQJRMNGBTXPOJ-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000154753430 565051597 /nfs/dbraw/zinc/05/15/97/565051597.db2.gz SJFDDJQKFGLGQX-IBGZPJMESA-N 2 0 397.357 3.059 20 0 GGADRP COCCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000154974419 565058363 /nfs/dbraw/zinc/05/83/63/565058363.db2.gz SWNULYRJRYGZIS-APWZRJJASA-N 2 0 398.389 3.142 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000155033669 565059763 /nfs/dbraw/zinc/05/97/63/565059763.db2.gz HWUMDUDQINEEKF-CJNGLKHVSA-N 2 0 384.387 3.212 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591573 565069539 /nfs/dbraw/zinc/06/95/39/565069539.db2.gz MULYXGGIHPTOHC-UGSOOPFHSA-N 2 0 384.337 3.191 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183726787 565091148 /nfs/dbraw/zinc/09/11/48/565091148.db2.gz YCGITJMRJNREFV-UHFFFAOYSA-N 2 0 390.325 3.091 20 0 GGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000183765546 565094121 /nfs/dbraw/zinc/09/41/21/565094121.db2.gz AMPVYTHXDOVZCJ-LJQANCHMSA-N 2 0 390.325 3.091 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1Br ZINC000157602557 565137796 /nfs/dbraw/zinc/13/77/96/565137796.db2.gz KHXLWHLSVYDBLA-HNNXBMFYSA-N 2 0 397.361 3.329 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925076 565140798 /nfs/dbraw/zinc/14/07/98/565140798.db2.gz INOSTTTZZKNRMO-GOSISDBHSA-N 2 0 391.313 3.417 20 0 GGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000293112799 565150421 /nfs/dbraw/zinc/15/04/21/565150421.db2.gz YOXKSMRQRWDUCV-SFHVURJKSA-N 2 0 398.320 3.335 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1F ZINC000370635243 565152650 /nfs/dbraw/zinc/15/26/50/565152650.db2.gz OJWYJOQIXWPYAI-UKRRQHHQSA-N 2 0 384.337 3.407 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000370624083 565153222 /nfs/dbraw/zinc/15/32/22/565153222.db2.gz GUPWGZWUOQYATA-GOEBONIOSA-N 2 0 396.373 3.277 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1F ZINC000370635244 565153329 /nfs/dbraw/zinc/15/33/29/565153329.db2.gz OJWYJOQIXWPYAI-ZFWWWQNUSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@H]1CN(Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305617 565185844 /nfs/dbraw/zinc/18/58/44/565185844.db2.gz ZMISYYZIIWHZPP-KSSFIOAISA-N 2 0 384.337 3.046 20 0 GGADRP COc1ccc(Br)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301426 565186082 /nfs/dbraw/zinc/18/60/82/565186082.db2.gz UIELDPSEKMNWJL-XYJFISCASA-N 2 0 383.330 3.141 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300533 565186245 /nfs/dbraw/zinc/18/62/45/565186245.db2.gz PKTQCYZMYOBYNS-UWWQBHOKSA-N 2 0 383.330 3.141 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000294259594 565205232 /nfs/dbraw/zinc/20/52/32/565205232.db2.gz ZVWZACFCSXRSEQ-RDTXWAMCSA-N 2 0 384.362 3.250 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000185877764 565226638 /nfs/dbraw/zinc/22/66/38/565226638.db2.gz GSIHBJIDMBBWMS-CQSZACIVSA-N 2 0 384.351 3.385 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000372916354 565260687 /nfs/dbraw/zinc/26/06/87/565260687.db2.gz HIGOJYYKMAEQGM-UHFFFAOYSA-N 2 0 380.374 3.312 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000186564544 565268284 /nfs/dbraw/zinc/26/82/84/565268284.db2.gz JQYNHXVDXVHIEW-GUYCJALGSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000186564524 565268392 /nfs/dbraw/zinc/26/83/92/565268392.db2.gz JQYNHXVDXVHIEW-CXAGYDPISA-N 2 0 384.337 3.191 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000186595024 565270691 /nfs/dbraw/zinc/27/06/91/565270691.db2.gz HXHJWPLZHNHFML-HUUCEWRRSA-N 2 0 384.362 3.134 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000186594970 565270727 /nfs/dbraw/zinc/27/07/27/565270727.db2.gz HXHJWPLZHNHFML-GJZGRUSLSA-N 2 0 384.362 3.134 20 0 GGADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Br)c1 ZINC000162151995 565306537 /nfs/dbraw/zinc/30/65/37/565306537.db2.gz GTZJUJFCSGZZCF-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP COc1c(Br)cccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000187168812 565315169 /nfs/dbraw/zinc/31/51/69/565315169.db2.gz ORAFDTXQOHUQLJ-GJZGRUSLSA-N 2 0 385.346 3.437 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)nc12 ZINC000273433602 565320899 /nfs/dbraw/zinc/32/08/99/565320899.db2.gz LKTWBOSGRWNOGX-JKIFEVAISA-N 2 0 379.346 3.266 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000273442463 565320972 /nfs/dbraw/zinc/32/09/72/565320972.db2.gz NAHZSPBROKDHST-DOTOQJQBSA-N 2 0 377.330 3.164 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](C(C)C)CC3)nc12 ZINC000273460740 565321179 /nfs/dbraw/zinc/32/11/79/565321179.db2.gz HPSNMPZNMZJLMB-UHFFFAOYSA-N 2 0 379.346 3.410 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000273442465 565321257 /nfs/dbraw/zinc/32/12/57/565321257.db2.gz NAHZSPBROKDHST-NVXWUHKLSA-N 2 0 377.330 3.164 20 0 GGADRP COCCC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000297355372 565368930 /nfs/dbraw/zinc/36/89/30/565368930.db2.gz PJGLJSKXTDDSAO-RBUKOAKNSA-N 2 0 399.373 3.353 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000274671794 565376590 /nfs/dbraw/zinc/37/65/90/565376590.db2.gz YCCVCISVLIMSMX-FZKQIMNGSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000274671804 565377109 /nfs/dbraw/zinc/37/71/09/565377109.db2.gz YCCVCISVLIMSMX-UGSOOPFHSA-N 2 0 384.337 3.191 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000188115049 565380178 /nfs/dbraw/zinc/38/01/78/565380178.db2.gz VWXYPLAZHQNBFA-QFBILLFUSA-N 2 0 382.390 3.242 20 0 GGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904945 565381803 /nfs/dbraw/zinc/38/18/03/565381803.db2.gz MIPLOUDTCCKXQY-LJQANCHMSA-N 2 0 388.383 3.424 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000168943115 565382018 /nfs/dbraw/zinc/38/20/18/565382018.db2.gz FNGONSXUTBITAU-CQSZACIVSA-N 2 0 392.346 3.173 20 0 GGADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070886 565474970 /nfs/dbraw/zinc/47/49/70/565474970.db2.gz DRFCFHNVXINCCQ-AWEZNQCLSA-N 2 0 386.309 3.333 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000277491611 565501456 /nfs/dbraw/zinc/50/14/56/565501456.db2.gz JMQAXIHXKPFUPW-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP C[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)CN1CC[NH+](C)CC1 ZINC000190599066 565544973 /nfs/dbraw/zinc/54/49/73/565544973.db2.gz OBIWTBZOVXNTEW-DYVFJYSZSA-N 2 0 386.403 3.435 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)c1 ZINC000173311285 565546945 /nfs/dbraw/zinc/54/69/45/565546945.db2.gz GOTIMKJVZSOVFO-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)c1 ZINC000173326234 565549397 /nfs/dbraw/zinc/54/93/97/565549397.db2.gz IGWVAYAPOYKXNL-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)N1CC[NH+](C)CC1 ZINC000390549417 565557412 /nfs/dbraw/zinc/55/74/12/565557412.db2.gz PCJARMIXBQGRKP-CABCVRRESA-N 2 0 386.403 3.360 20 0 GGADRP Brc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000390578500 565557598 /nfs/dbraw/zinc/55/75/98/565557598.db2.gz CJBBZTYBZUVWSS-UHFFFAOYSA-N 2 0 394.382 3.418 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000278497445 565562220 /nfs/dbraw/zinc/56/22/20/565562220.db2.gz LIWCUXLBXZMNQN-DMKPSLHHSA-N 2 0 380.374 3.311 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394666040 565572006 /nfs/dbraw/zinc/57/20/06/565572006.db2.gz ZJZTWNMQLSZISE-UHFFFAOYSA-N 2 0 377.124 3.038 20 0 GGADRP Cc1csc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Br ZINC000190947592 565572329 /nfs/dbraw/zinc/57/23/29/565572329.db2.gz GSKPQFPASIOWLW-UHFFFAOYSA-N 2 0 390.391 3.165 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394612386 565572308 /nfs/dbraw/zinc/57/23/08/565572308.db2.gz HRZOFVVZPRWTQW-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP CN(CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000395758941 565574160 /nfs/dbraw/zinc/57/41/60/565574160.db2.gz SPUDKNZNUAWQAL-UHFFFAOYSA-N 2 0 391.309 3.442 20 0 GGADRP Cc1nn(C)c(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000279134572 565597224 /nfs/dbraw/zinc/59/72/24/565597224.db2.gz NEUSOQVDXOCWFU-QGZVFWFLSA-N 2 0 391.357 3.145 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000319552248 565599768 /nfs/dbraw/zinc/59/97/68/565599768.db2.gz JQNNPXGLPBFDPJ-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279969995 565643697 /nfs/dbraw/zinc/64/36/97/565643697.db2.gz CVZVOSZHRYQULX-NSHDSACASA-N 2 0 394.368 3.023 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192070877 565655977 /nfs/dbraw/zinc/65/59/77/565655977.db2.gz CBKAFNUYWDFWRR-SFHVURJKSA-N 2 0 394.357 3.218 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192167162 565664700 /nfs/dbraw/zinc/66/47/00/565664700.db2.gz NETSNRYSBNGFEJ-UHFFFAOYSA-N 2 0 388.781 3.466 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192167127 565664929 /nfs/dbraw/zinc/66/49/29/565664929.db2.gz UYXKCPZBMVVLTN-AWEZNQCLSA-N 2 0 388.781 3.466 20 0 GGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192622149 565701965 /nfs/dbraw/zinc/70/19/65/565701965.db2.gz TTZQNWMNHLKOFU-MSOLQXFVSA-N 2 0 385.321 3.446 20 0 GGADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(Br)cc1N1CCOCC1)C2 ZINC000193031205 565726992 /nfs/dbraw/zinc/72/69/92/565726992.db2.gz IXFVGGSBJXKWKZ-AYHJJNSGSA-N 2 0 394.357 3.001 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000411443255 565730309 /nfs/dbraw/zinc/73/03/09/565730309.db2.gz XVSUWHLAJGSSFO-CQSZACIVSA-N 2 0 382.346 3.089 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000193160614 565735374 /nfs/dbraw/zinc/73/53/74/565735374.db2.gz NQHFVJPVFQDBGB-RTBURBONSA-N 2 0 380.374 3.298 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000193160627 565736053 /nfs/dbraw/zinc/73/60/53/565736053.db2.gz NQHFVJPVFQDBGB-MOPGFXCFSA-N 2 0 380.374 3.298 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1=O ZINC000331542427 565765498 /nfs/dbraw/zinc/76/54/98/565765498.db2.gz MARNBEZBODYYSV-JCYILVPMSA-N 2 0 394.357 3.421 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981765 565786837 /nfs/dbraw/zinc/78/68/37/565786837.db2.gz CKXCMKODDHBDBI-LJQANCHMSA-N 2 0 380.374 3.300 20 0 GGADRP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)CN1CC[NH+](C)CC1 ZINC000194024535 565790645 /nfs/dbraw/zinc/79/06/45/565790645.db2.gz FDHZOVSBEHFODQ-DMKPSLHHSA-N 2 0 380.374 3.168 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194028708 565790785 /nfs/dbraw/zinc/79/07/85/565790785.db2.gz RTTKBKGXPSNGIP-UHFFFAOYSA-N 2 0 380.374 3.312 20 0 GGADRP C[C@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CN1CC[NH+](C)CC1 ZINC000284012511 565838373 /nfs/dbraw/zinc/83/83/73/565838373.db2.gz QAGRDVLIMOEUPV-OAHLLOKOSA-N 2 0 378.973 3.437 20 0 GGADRP COC(=O)c1ccc(C[NH2+]CCCCn2ccnc2C)c(Br)c1 ZINC000284414538 565852306 /nfs/dbraw/zinc/85/23/06/565852306.db2.gz QTYZXAOKEUCZFX-UHFFFAOYSA-N 2 0 380.286 3.311 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284926933 565877350 /nfs/dbraw/zinc/87/73/50/565877350.db2.gz WACBKLLCWSIYCS-LJQANCHMSA-N 2 0 395.389 3.301 20 0 GGADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203422 565893185 /nfs/dbraw/zinc/89/31/85/565893185.db2.gz SWEHYJLVOABNHR-DXJOGWAWSA-N 2 0 394.357 3.183 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414170361 565900598 /nfs/dbraw/zinc/90/05/98/565900598.db2.gz BYNFMUKSACAMEK-ONUSSAAZSA-N 2 0 387.337 3.058 20 0 GGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000414173025 565900677 /nfs/dbraw/zinc/90/06/77/565900677.db2.gz FJOZKAPZEYKVTJ-FCLVOEFKSA-N 2 0 399.348 3.202 20 0 GGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000414173027 565900773 /nfs/dbraw/zinc/90/07/73/565900773.db2.gz FJOZKAPZEYKVTJ-GRGSLBFTSA-N 2 0 399.348 3.202 20 0 GGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000414173029 565900802 /nfs/dbraw/zinc/90/08/02/565900802.db2.gz FJOZKAPZEYKVTJ-OAOYMFHYSA-N 2 0 399.348 3.202 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000414183009 565901509 /nfs/dbraw/zinc/90/15/09/565901509.db2.gz DOUVENARCKZHLY-OAHLLOKOSA-N 2 0 386.367 3.441 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000414183006 565901692 /nfs/dbraw/zinc/90/16/92/565901692.db2.gz DOUVENARCKZHLY-HNNXBMFYSA-N 2 0 386.367 3.441 20 0 GGADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192571 565902863 /nfs/dbraw/zinc/90/28/63/565902863.db2.gz SLGRMIQANZERQR-WMLDXEAASA-N 2 0 387.977 3.021 20 0 GGADRP C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccsc2S1 ZINC000414191347 565903327 /nfs/dbraw/zinc/90/33/27/565903327.db2.gz LJQNGDDPMUXEDI-RDJZCZTQSA-N 2 0 381.611 3.060 20 0 GGADRP C[N@H+](CCC(=O)Nc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285402532 565905534 /nfs/dbraw/zinc/90/55/34/565905534.db2.gz FGCIEEQJMTYYGC-SJPCQFCGSA-N 2 0 380.330 3.335 20 0 GGADRP C[C@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000285665278 565921228 /nfs/dbraw/zinc/92/12/28/565921228.db2.gz ZICZHFXPPFIVTD-BXEVVDMOSA-N 2 0 394.357 3.183 20 0 GGADRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC[NH2+]1 ZINC000414728142 565957769 /nfs/dbraw/zinc/95/77/69/565957769.db2.gz CDAFNUOYNACBSF-OLZOCXBDSA-N 2 0 376.854 3.264 20 0 GGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414751551 565957964 /nfs/dbraw/zinc/95/79/64/565957964.db2.gz SNQSXMPNEAZZIS-CABCVRRESA-N 2 0 394.357 3.488 20 0 GGADRP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751705 565958665 /nfs/dbraw/zinc/95/86/65/565958665.db2.gz AXSXRKKVXMCGQT-HOCLYGCPSA-N 2 0 383.330 3.202 20 0 GGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414753975 565958864 /nfs/dbraw/zinc/95/88/64/565958864.db2.gz XCDVQPJRYYURGS-HUUCEWRRSA-N 2 0 394.357 3.488 20 0 GGADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)ccc1Br ZINC000414755709 565958981 /nfs/dbraw/zinc/95/89/81/565958981.db2.gz PLAVOQKAVGSLDK-MAUKXSAKSA-N 2 0 394.357 3.092 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414835218 565962944 /nfs/dbraw/zinc/96/29/44/565962944.db2.gz IBDHWZWKPQHWOI-HNNXBMFYSA-N 2 0 377.330 3.423 20 0 GGADRP CCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1Br ZINC000414887663 565964086 /nfs/dbraw/zinc/96/40/86/565964086.db2.gz QWLRUVPLEKJIFU-SECBINFHSA-N 2 0 380.124 3.437 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC(F)F ZINC000414924749 565965075 /nfs/dbraw/zinc/96/50/75/565965075.db2.gz KOIFJEQKGAGYHV-GHMZBOCLSA-N 2 0 379.245 3.419 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414928525 565965337 /nfs/dbraw/zinc/96/53/37/565965337.db2.gz QDNLKGPAJLKOIL-NVXWUHKLSA-N 2 0 394.357 3.222 20 0 GGADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]C1 ZINC000414916193 565965477 /nfs/dbraw/zinc/96/54/77/565965477.db2.gz OYZIJGQXLBDQLJ-LJQANCHMSA-N 2 0 380.374 3.393 20 0 GGADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929748 565965537 /nfs/dbraw/zinc/96/55/37/565965537.db2.gz RZBCDJDSNPILPQ-HUUCEWRRSA-N 2 0 399.329 3.059 20 0 GGADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414972017 565966549 /nfs/dbraw/zinc/96/65/49/565966549.db2.gz JGPLQRKLWRJTEW-ZDUSSCGKSA-N 2 0 389.771 3.285 20 0 GGADRP COCC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CC[NH2+]CC1 ZINC000414968299 565966618 /nfs/dbraw/zinc/96/66/18/565966618.db2.gz DWDOXUYERMQGEC-UHFFFAOYSA-N 2 0 378.314 3.103 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998679 565969118 /nfs/dbraw/zinc/96/91/18/565969118.db2.gz ILKHTBGMALVOBP-QIIPPGSGSA-N 2 0 395.320 3.156 20 0 GGADRP Cc1nn(C)c(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000414999110 565969689 /nfs/dbraw/zinc/96/96/89/565969689.db2.gz ISZFWZLTMWEESS-GOEBONIOSA-N 2 0 395.320 3.113 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415042930 565970915 /nfs/dbraw/zinc/97/09/15/565970915.db2.gz RMSFSRXOZVHROA-MWLCHTKSSA-N 2 0 379.245 3.276 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014292 565971035 /nfs/dbraw/zinc/97/10/35/565971035.db2.gz WLSQSIQBZJLZGK-ZWKOTPCHSA-N 2 0 397.357 3.342 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415028644 565971120 /nfs/dbraw/zinc/97/11/20/565971120.db2.gz CWBVHFCLEHTBJQ-CABZTGNLSA-N 2 0 392.135 3.437 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415065563 565971970 /nfs/dbraw/zinc/97/19/70/565971970.db2.gz GNGZDURZIHKTEI-UHFFFAOYSA-N 2 0 394.357 3.094 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415050295 565972241 /nfs/dbraw/zinc/97/22/41/565972241.db2.gz YKABSSOZYFDVNX-YOEHRIQHSA-N 2 0 394.357 3.079 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415112494 565974196 /nfs/dbraw/zinc/97/41/96/565974196.db2.gz SGOGUJIXOAJNQL-QZTJIDSGSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121558 565974532 /nfs/dbraw/zinc/97/45/32/565974532.db2.gz IPGNCZOZOKWSOZ-SJLPKXTDSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415112501 565974668 /nfs/dbraw/zinc/97/46/68/565974668.db2.gz SGOGUJIXOAJNQL-ZWKOTPCHSA-N 2 0 383.330 3.176 20 0 GGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000415117718 565974750 /nfs/dbraw/zinc/97/47/50/565974750.db2.gz ZYOKRKCEAIGVCO-MJGOQNOKSA-N 2 0 395.341 3.102 20 0 GGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000415117720 565974875 /nfs/dbraw/zinc/97/48/75/565974875.db2.gz ZYOKRKCEAIGVCO-PKOBYXMFSA-N 2 0 395.341 3.102 20 0 GGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000415117715 565974939 /nfs/dbraw/zinc/97/49/39/565974939.db2.gz ZYOKRKCEAIGVCO-HKUYNNGSSA-N 2 0 395.341 3.102 20 0 GGADRP CSc1cc(Br)ccc1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415132718 565975798 /nfs/dbraw/zinc/97/57/98/565975798.db2.gz UKEBTPMXQIKJER-OAHLLOKOSA-N 2 0 396.358 3.058 20 0 GGADRP Clc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Br)c1 ZINC000415135133 565976036 /nfs/dbraw/zinc/97/60/36/565976036.db2.gz FOJPNFAATJVNDH-ZBFHGGJFSA-N 2 0 385.733 3.303 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000415124927 565976143 /nfs/dbraw/zinc/97/61/43/565976143.db2.gz KNENDHDFSSAVMF-WMZOPIPTSA-N 2 0 383.330 3.176 20 0 GGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000415136147 565976169 /nfs/dbraw/zinc/97/61/69/565976169.db2.gz BXLZYYQBPLQDJS-UHFFFAOYSA-N 2 0 381.339 3.463 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000415131593 565976199 /nfs/dbraw/zinc/97/61/99/565976199.db2.gz ZRUWVIHVJGEYOW-QZTJIDSGSA-N 2 0 395.341 3.102 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415128147 565976382 /nfs/dbraw/zinc/97/63/82/565976382.db2.gz RTLQMWTZVQPPJJ-MAUKXSAKSA-N 2 0 383.330 3.176 20 0 GGADRP CCOCCOc1ccc(Br)cc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415135428 565976429 /nfs/dbraw/zinc/97/64/29/565976429.db2.gz WRKZMYAYBDOQHM-GDBMZVCRSA-N 2 0 385.346 3.281 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246212776 566021824 /nfs/dbraw/zinc/02/18/24/566021824.db2.gz NXPOOJFZZRWTHD-GOEBONIOSA-N 2 0 375.340 3.397 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000180005993 566025651 /nfs/dbraw/zinc/02/56/51/566025651.db2.gz QDUATYOEVRMSTD-MOPGFXCFSA-N 2 0 380.374 3.298 20 0 GGADRP O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441433 566030195 /nfs/dbraw/zinc/03/01/95/566030195.db2.gz DFEUTLOUCABHDQ-KBXCAEBGSA-N 2 0 392.341 3.336 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180094828 566032859 /nfs/dbraw/zinc/03/28/59/566032859.db2.gz BPVXDSSNGFFZPT-IBGZPJMESA-N 2 0 380.374 3.300 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Br)CC[C@H]21 ZINC000246723301 566038799 /nfs/dbraw/zinc/03/87/99/566038799.db2.gz FWAZLEPUTIDJEE-RHSMWYFYSA-N 2 0 380.330 3.194 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246877599 566044349 /nfs/dbraw/zinc/04/43/49/566044349.db2.gz DGELEYPZDBHLCI-RKVPGOIHSA-N 2 0 377.330 3.287 20 0 GGADRP O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246874021 566044612 /nfs/dbraw/zinc/04/46/12/566044612.db2.gz APKUENZVYRUKQN-QZTJIDSGSA-N 2 0 397.357 3.139 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000247954182 566070132 /nfs/dbraw/zinc/07/01/32/566070132.db2.gz FISUFAUZSIMREI-HOCLYGCPSA-N 2 0 385.346 3.345 20 0 GGADRP CC[C@H](CSC)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180677628 566082203 /nfs/dbraw/zinc/08/22/03/566082203.db2.gz MNBZTCZMANIHAT-GOSISDBHSA-N 2 0 381.611 3.247 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccccc1Cl ZINC000416857799 566109735 /nfs/dbraw/zinc/10/97/35/566109735.db2.gz YKQFUSLBFXGPDS-LSDHHAIUSA-N 2 0 376.879 3.005 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccccc1Cl ZINC000416857797 566110031 /nfs/dbraw/zinc/11/00/31/566110031.db2.gz YKQFUSLBFXGPDS-GJZGRUSLSA-N 2 0 376.879 3.005 20 0 GGADRP C[C@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1ccnc1 ZINC000252745446 566117262 /nfs/dbraw/zinc/11/72/62/566117262.db2.gz OPJIHVNTJLNPMB-SWLSCSKDSA-N 2 0 378.270 3.457 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261637396 566126578 /nfs/dbraw/zinc/12/65/78/566126578.db2.gz CJGRXXUKTWHSIW-GOSISDBHSA-N 2 0 376.298 3.323 20 0 GGADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261633175 566126714 /nfs/dbraw/zinc/12/67/14/566126714.db2.gz BXFKXIZNUOTMCN-MJGOQNOKSA-N 2 0 394.357 3.100 20 0 GGADRP C[C@@]([NH3+])(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000261647668 566127155 /nfs/dbraw/zinc/12/71/55/566127155.db2.gz DGPJAQRTPXTNCG-IBGZPJMESA-N 2 0 394.357 3.100 20 0 GGADRP CCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000261690189 566129489 /nfs/dbraw/zinc/12/94/89/566129489.db2.gz IXZOTWVZCMOOCC-AWEZNQCLSA-N 2 0 382.346 3.090 20 0 GGADRP C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000261766571 566133491 /nfs/dbraw/zinc/13/34/91/566133491.db2.gz DJSAHSSAKRICSJ-KRWDZBQOSA-N 2 0 397.357 3.438 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000289662220 566133907 /nfs/dbraw/zinc/13/39/07/566133907.db2.gz IJCUHEIFGSCOSP-VMDGZTHMSA-N 2 0 399.348 3.487 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000181361918 566135776 /nfs/dbraw/zinc/13/57/76/566135776.db2.gz HQQJDUHRGPUFTQ-OAHLLOKOSA-N 2 0 385.346 3.041 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000261817873 566136729 /nfs/dbraw/zinc/13/67/29/566136729.db2.gz SLLLFBXSVLSULD-WBVHZDCISA-N 2 0 396.354 3.104 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000181467252 566143398 /nfs/dbraw/zinc/14/33/98/566143398.db2.gz RCPUEYMEWDWQMH-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP CC(C)[C@@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417565049 566158477 /nfs/dbraw/zinc/15/84/77/566158477.db2.gz GFICBHZQDRETIC-KRWDZBQOSA-N 2 0 387.355 3.240 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181691113 566159026 /nfs/dbraw/zinc/15/90/26/566159026.db2.gz ZGHOMTGJFKWARJ-HOTGVXAUSA-N 2 0 398.389 3.382 20 0 GGADRP C[NH2+]C[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417568895 566159353 /nfs/dbraw/zinc/15/93/53/566159353.db2.gz KZXUUBPHEWTSPT-CYBMUJFWSA-N 2 0 387.355 3.113 20 0 GGADRP CN(C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC([NH3+])C1 ZINC000417568883 566159430 /nfs/dbraw/zinc/15/94/30/566159430.db2.gz KYPOYUHCZXTNMO-UHFFFAOYSA-N 2 0 385.339 3.089 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733052 566163357 /nfs/dbraw/zinc/16/33/57/566163357.db2.gz KHBBQTFSQVANFI-HUUCEWRRSA-N 2 0 385.346 3.345 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733036 566163708 /nfs/dbraw/zinc/16/37/08/566163708.db2.gz KHBBQTFSQVANFI-LSDHHAIUSA-N 2 0 385.346 3.345 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000181858582 566170126 /nfs/dbraw/zinc/17/01/26/566170126.db2.gz SNUDNXWDUJGUFI-GOSISDBHSA-N 2 0 380.374 3.094 20 0 GGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCC([NH2+]CCO)CC2)c1C ZINC000290964415 566198352 /nfs/dbraw/zinc/19/83/52/566198352.db2.gz OVJQEIYHTHECNP-UHFFFAOYSA-N 2 0 378.314 3.165 20 0 GGADRP Brc1cncc(Br)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000290961520 566198674 /nfs/dbraw/zinc/19/86/74/566198674.db2.gz WKNDCBCGVHFRLY-JTQLQIEISA-N 2 0 389.135 3.181 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000418310878 566209178 /nfs/dbraw/zinc/20/91/78/566209178.db2.gz PZDNQFDPJDRVSP-UHFFFAOYSA-N 2 0 387.355 3.209 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418378520 566211373 /nfs/dbraw/zinc/21/13/73/566211373.db2.gz HZEXJNQCIYJCLJ-HNNXBMFYSA-N 2 0 387.355 3.209 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393586 566211405 /nfs/dbraw/zinc/21/14/05/566211405.db2.gz FFDVOCAYUWDZEU-KRWDZBQOSA-N 2 0 387.355 3.194 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418378522 566211484 /nfs/dbraw/zinc/21/14/84/566211484.db2.gz HZEXJNQCIYJCLJ-OAHLLOKOSA-N 2 0 387.355 3.209 20 0 GGADRP CC(C)([NH3+])CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418413003 566212466 /nfs/dbraw/zinc/21/24/66/566212466.db2.gz IRULILBWXZSJOG-UHFFFAOYSA-N 2 0 387.355 3.338 20 0 GGADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418524455 566215294 /nfs/dbraw/zinc/21/52/94/566215294.db2.gz LISCFXUHXAEFMQ-AWEZNQCLSA-N 2 0 387.355 3.338 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C)C[NH3+] ZINC000418511426 566215576 /nfs/dbraw/zinc/21/55/76/566215576.db2.gz JMLDOUFUNCFHLH-CYBMUJFWSA-N 2 0 375.344 3.194 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000182639175 566217458 /nfs/dbraw/zinc/21/74/58/566217458.db2.gz LOJGASKOFBKPHE-LJQANCHMSA-N 2 0 393.325 3.425 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015207 566226802 /nfs/dbraw/zinc/22/68/02/566226802.db2.gz CBOYUADIVHLRMS-BMGDILEWSA-N 2 0 383.330 3.141 20 0 GGADRP C[N@@H+](CC/C=C/c1ccc(Br)cc1)CCCN1CC[NH+](C)CC1 ZINC000182954605 566232007 /nfs/dbraw/zinc/23/20/07/566232007.db2.gz AAYKKRPTGAGKIL-ZZXKWVIFSA-N 2 0 380.374 3.422 20 0 GGADRP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]CC(=O)N2CC[NH2+]CC2)cs1 ZINC000575242596 566264280 /nfs/dbraw/zinc/26/42/80/566264280.db2.gz YFEDBGOYECKRLX-SFHVURJKSA-N 2 0 377.941 3.015 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420297113 566271803 /nfs/dbraw/zinc/27/18/03/566271803.db2.gz FMFYEQZDKQJNBY-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420307993 566273161 /nfs/dbraw/zinc/27/31/61/566273161.db2.gz RUOYJYUBTCMFAE-OAHLLOKOSA-N 2 0 394.357 3.489 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334243 566273978 /nfs/dbraw/zinc/27/39/78/566273978.db2.gz IXEVZGOLPHUEFK-SFHVURJKSA-N 2 0 384.351 3.416 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310987 566274114 /nfs/dbraw/zinc/27/41/14/566274114.db2.gz VPQNYUVMIGVFDW-OAHLLOKOSA-N 2 0 394.357 3.489 20 0 GGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000420389982 566275838 /nfs/dbraw/zinc/27/58/38/566275838.db2.gz MWDLKRSPDONPCR-AEFFLSMTSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000420382685 566276462 /nfs/dbraw/zinc/27/64/62/566276462.db2.gz DZDKYHUETMEMKD-CRAIPNDOSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389542 566276987 /nfs/dbraw/zinc/27/69/87/566276987.db2.gz MESFWYKECGQMIH-AEFFLSMTSA-N 2 0 383.330 3.046 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000482026051 566277463 /nfs/dbraw/zinc/27/74/63/566277463.db2.gz MGOPTMUJPIBWHX-MAUKXSAKSA-N 2 0 381.358 3.427 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535191917 566285279 /nfs/dbraw/zinc/28/52/79/566285279.db2.gz TVABVQJRTPGZFY-HNNXBMFYSA-N 2 0 386.327 3.021 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575869360 566293768 /nfs/dbraw/zinc/29/37/68/566293768.db2.gz SQKNBEIWMMFNNN-KFWWJZLASA-N 2 0 380.330 3.098 20 0 GGADRP C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000535414634 566302608 /nfs/dbraw/zinc/30/26/08/566302608.db2.gz ZISMNDZKMJMQOC-AWEZNQCLSA-N 2 0 389.371 3.059 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482556505 566317576 /nfs/dbraw/zinc/31/75/76/566317576.db2.gz SYXUUVHINBGSOL-SFHVURJKSA-N 2 0 384.337 3.193 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000669690391 566320767 /nfs/dbraw/zinc/32/07/67/566320767.db2.gz SALIWEXTVRZFEI-ZIAGYGMSSA-N 2 0 375.401 3.075 20 0 GGADRP Brc1cc2c(cc1C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)OCCCO2 ZINC000576227791 566326892 /nfs/dbraw/zinc/32/68/92/566326892.db2.gz IJDVMPIZGRWBKF-OAHLLOKOSA-N 2 0 395.341 3.432 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(Br)c3)cn2)CC1 ZINC000482947044 566344558 /nfs/dbraw/zinc/34/45/58/566344558.db2.gz LUFGOXHTWJSSNP-UHFFFAOYSA-N 2 0 393.304 3.025 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1Cl ZINC000536072068 566349288 /nfs/dbraw/zinc/34/92/88/566349288.db2.gz HDKKPLZHZFVTBW-MAUKXSAKSA-N 2 0 383.989 3.276 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000536180543 566357190 /nfs/dbraw/zinc/35/71/90/566357190.db2.gz ZOSAHQROCKLOFA-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000576627696 566364454 /nfs/dbraw/zinc/36/44/54/566364454.db2.gz BHQRZSGNVMTILV-INIZCTEOSA-N 2 0 385.346 3.041 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000576856853 566384971 /nfs/dbraw/zinc/38/49/71/566384971.db2.gz OFKTYZFPGDJYSV-PBHICJAKSA-N 2 0 387.337 3.202 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000576943724 566393525 /nfs/dbraw/zinc/39/35/25/566393525.db2.gz IBIQQJWHQLOWMH-JKSUJKDBSA-N 2 0 395.341 3.432 20 0 GGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000536692171 566394188 /nfs/dbraw/zinc/39/41/88/566394188.db2.gz AUUWRLUCCIGKBR-QGZVFWFLSA-N 2 0 395.345 3.030 20 0 GGADRP C[NH+](C)CCOCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000447600817 566418107 /nfs/dbraw/zinc/41/81/07/566418107.db2.gz NTSGFPKNPGKVTA-SFHVURJKSA-N 2 0 385.346 3.085 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000537013794 566418214 /nfs/dbraw/zinc/41/82/14/566418214.db2.gz RHIADRTUPPBEMP-IPMKNSEASA-N 2 0 379.342 3.404 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000537117223 566422307 /nfs/dbraw/zinc/42/23/07/566422307.db2.gz WQSKFHLQLGKQBW-IYOUNJFTSA-N 2 0 398.414 3.458 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1I ZINC000484305774 566424703 /nfs/dbraw/zinc/42/47/03/566424703.db2.gz IUEOSAVWGWXXJN-UONOGXRCSA-N 2 0 390.309 3.299 20 0 GGADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000511013066 566428425 /nfs/dbraw/zinc/42/84/25/566428425.db2.gz PNIGLHYWGWZOLR-UHFFFAOYSA-N 2 0 388.293 3.134 20 0 GGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000422637622 566461783 /nfs/dbraw/zinc/46/17/83/566461783.db2.gz PCNQSYUNNQDVLS-FRRDWIJNSA-N 2 0 386.309 3.222 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000422861224 566462217 /nfs/dbraw/zinc/46/22/17/566462217.db2.gz NOSCFENKYPVWTC-QZTJIDSGSA-N 2 0 388.309 3.303 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736280 566463251 /nfs/dbraw/zinc/46/32/51/566463251.db2.gz VUENEEZIZOESBS-AXHNFQJDSA-N 2 0 386.367 3.300 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859622 566463400 /nfs/dbraw/zinc/46/34/00/566463400.db2.gz KMUJAUXHHBOEOU-RCCFBDPRSA-N 2 0 394.357 3.079 20 0 GGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000422861226 566463620 /nfs/dbraw/zinc/46/36/20/566463620.db2.gz NOSCFENKYPVWTC-ZWKOTPCHSA-N 2 0 388.309 3.303 20 0 GGADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422758711 566463636 /nfs/dbraw/zinc/46/36/36/566463636.db2.gz JWLIKQVRUJRYKQ-CYBMUJFWSA-N 2 0 391.375 3.109 20 0 GGADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000422882365 566465217 /nfs/dbraw/zinc/46/52/17/566465217.db2.gz SCBLCEOFPNRYBO-ZWKOTPCHSA-N 2 0 388.309 3.303 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000422903105 566465265 /nfs/dbraw/zinc/46/52/65/566465265.db2.gz ODYFEUBGKYKKFD-GFCCVEGCSA-N 2 0 381.929 3.361 20 0 GGADRP Brc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422893356 566465751 /nfs/dbraw/zinc/46/57/51/566465751.db2.gz QFJGTIOUMDCMCE-DFNIBXOVSA-N 2 0 378.358 3.286 20 0 GGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422936094 566466528 /nfs/dbraw/zinc/46/65/28/566466528.db2.gz HZFBZRKNQKQJMQ-OAGGEKHMSA-N 2 0 385.346 3.089 20 0 GGADRP Brc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC000422944467 566466706 /nfs/dbraw/zinc/46/67/06/566466706.db2.gz MHESZHFMZNZRBC-JWTNVVGKSA-N 2 0 379.342 3.370 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000422960789 566466738 /nfs/dbraw/zinc/46/67/38/566466738.db2.gz XSLPANUYILTIDA-SUMWQHHRSA-N 2 0 395.341 3.347 20 0 GGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422936096 566466995 /nfs/dbraw/zinc/46/69/95/566466995.db2.gz HZFBZRKNQKQJMQ-PMPSAXMXSA-N 2 0 385.346 3.089 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000422948324 566467300 /nfs/dbraw/zinc/46/73/00/566467300.db2.gz RSIZSPMHPPVFQX-AWEZNQCLSA-N 2 0 395.341 3.349 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422938966 566467393 /nfs/dbraw/zinc/46/73/93/566467393.db2.gz FHSASBQEOMDNCM-FVQBIDKESA-N 2 0 383.330 3.477 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000422960787 566467450 /nfs/dbraw/zinc/46/74/50/566467450.db2.gz XSLPANUYILTIDA-DYVFJYSZSA-N 2 0 395.341 3.347 20 0 GGADRP Cc1cc(Br)cn2cc(CN[C@H](Cc3ccccc3)[C@H](C)[NH3+])nc12 ZINC000423031841 566469390 /nfs/dbraw/zinc/46/93/90/566469390.db2.gz DUXLNUDFDYRZDM-KBXCAEBGSA-N 2 0 387.325 3.453 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000423054646 566470736 /nfs/dbraw/zinc/47/07/36/566470736.db2.gz BXZCRBMWTHOWKY-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707674 566471076 /nfs/dbraw/zinc/47/10/76/566471076.db2.gz KQHRWUQUNRXYGO-QRTARXTBSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705339 566471317 /nfs/dbraw/zinc/47/13/17/566471317.db2.gz DZLGBKFEJXRSDD-OWQGQXMQSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707415 566471384 /nfs/dbraw/zinc/47/13/84/566471384.db2.gz FJRAPMKSKWXUNO-JCKWVBRZSA-N 2 0 383.330 3.176 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043308 566471484 /nfs/dbraw/zinc/47/14/84/566471484.db2.gz OHBSZIHGIDOXTE-JECZMYCTSA-N 2 0 384.351 3.319 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043309 566471592 /nfs/dbraw/zinc/47/15/92/566471592.db2.gz OHBSZIHGIDOXTE-KNEBKQPDSA-N 2 0 384.351 3.319 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423060278 566471800 /nfs/dbraw/zinc/47/18/00/566471800.db2.gz NXTQBTFPRZPVEL-NWDGAFQWSA-N 2 0 389.359 3.483 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650705857 566472291 /nfs/dbraw/zinc/47/22/91/566472291.db2.gz YRBHEASJYXKIRQ-RLFYNMQTSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707417 566472331 /nfs/dbraw/zinc/47/23/31/566472331.db2.gz FJRAPMKSKWXUNO-YEWWUXTCSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707414 566472347 /nfs/dbraw/zinc/47/23/47/566472347.db2.gz FJRAPMKSKWXUNO-DHSIGJKJSA-N 2 0 383.330 3.176 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423078961 566472482 /nfs/dbraw/zinc/47/24/82/566472482.db2.gz WXVVFOLJOHLVOZ-QSFXBCCZSA-N 2 0 391.353 3.148 20 0 GGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423101948 566475002 /nfs/dbraw/zinc/47/50/02/566475002.db2.gz WPXOYXGYBAPZNW-QIXHYMPYSA-N 2 0 384.305 3.485 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000650764186 566476264 /nfs/dbraw/zinc/47/62/64/566476264.db2.gz SBAZQPRYTZRSQP-CYBMUJFWSA-N 2 0 392.345 3.379 20 0 GGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c21 ZINC000423130742 566476747 /nfs/dbraw/zinc/47/67/47/566476747.db2.gz YVDHMRNTNLAFDM-DJIMGWMZSA-N 2 0 392.341 3.220 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1=O ZINC000423113274 566476962 /nfs/dbraw/zinc/47/69/62/566476962.db2.gz TUMUGVPPNANNCA-HOCLYGCPSA-N 2 0 382.346 3.278 20 0 GGADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423142656 566478409 /nfs/dbraw/zinc/47/84/09/566478409.db2.gz AZBRTDAVAPVEQR-HYVNUMGLSA-N 2 0 387.749 3.392 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000423152693 566479089 /nfs/dbraw/zinc/47/90/89/566479089.db2.gz GHXMCKOMONKTER-QGZVKYPTSA-N 2 0 395.385 3.419 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178836 566479878 /nfs/dbraw/zinc/47/98/78/566479878.db2.gz ISXHEOOHYABTCG-DNVCBOLYSA-N 2 0 380.374 3.391 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169979 566480425 /nfs/dbraw/zinc/48/04/25/566480425.db2.gz KTOSFFHEKXXBPI-WQANXHIZSA-N 2 0 399.348 3.250 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]C/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423161497 566480524 /nfs/dbraw/zinc/48/05/24/566480524.db2.gz SARPCOVBFFLLII-XVWMLYKFSA-N 2 0 395.341 3.373 20 0 GGADRP Brc1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423179641 566480562 /nfs/dbraw/zinc/48/05/62/566480562.db2.gz HTMRWFHIOWNEGH-FQEVSTJZSA-N 2 0 388.353 3.423 20 0 GGADRP Brc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423180202 566480603 /nfs/dbraw/zinc/48/06/03/566480603.db2.gz KIDWEUVLYVIMNS-DFNIBXOVSA-N 2 0 378.358 3.286 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000423163839 566480704 /nfs/dbraw/zinc/48/07/04/566480704.db2.gz NPHLTLHCROPXMF-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP Brc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccco2)cc1 ZINC000423184609 566480797 /nfs/dbraw/zinc/48/07/97/566480797.db2.gz MHNDDEAGTIHVNY-GOSISDBHSA-N 2 0 378.314 3.016 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000423156598 566480827 /nfs/dbraw/zinc/48/08/27/566480827.db2.gz LGLRRBQNEYFRCJ-CYBMUJFWSA-N 2 0 389.323 3.283 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165710 566481158 /nfs/dbraw/zinc/48/11/58/566481158.db2.gz URIDPXQEZCOEHO-ZAUBIYILSA-N 2 0 399.348 3.250 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000423195051 566482210 /nfs/dbraw/zinc/48/22/10/566482210.db2.gz XIEBJMOKUXBRPX-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423250019 566483798 /nfs/dbraw/zinc/48/37/98/566483798.db2.gz PUVKFXCHQJTAQG-SWLSCSKDSA-N 2 0 386.277 3.094 20 0 GGADRP Brc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259328 566484687 /nfs/dbraw/zinc/48/46/87/566484687.db2.gz NXFMCOQDPNAMCP-KSSFIOAISA-N 2 0 375.314 3.308 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000423334174 566485748 /nfs/dbraw/zinc/48/57/48/566485748.db2.gz QQEWRJRCZIATPE-ZDUSSCGKSA-N 2 0 392.345 3.379 20 0 GGADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382426 566486382 /nfs/dbraw/zinc/48/63/82/566486382.db2.gz INFYEXIXUGYNKB-DZGCQCFKSA-N 2 0 379.879 3.303 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000423395051 566486594 /nfs/dbraw/zinc/48/65/94/566486594.db2.gz ROZYYRXWLWVAPT-VNHYZAJKSA-N 2 0 386.277 3.364 20 0 GGADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382430 566486632 /nfs/dbraw/zinc/48/66/32/566486632.db2.gz INFYEXIXUGYNKB-ZFWWWQNUSA-N 2 0 379.879 3.303 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392848 566486772 /nfs/dbraw/zinc/48/67/72/566486772.db2.gz QUIMAPGLCRAIJQ-IINYFYTJSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000423381578 566486893 /nfs/dbraw/zinc/48/68/93/566486893.db2.gz ICESPCRMGXVRDM-YGRLFVJLSA-N 2 0 398.242 3.075 20 0 GGADRP CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423417406 566487838 /nfs/dbraw/zinc/48/78/38/566487838.db2.gz FHJBLDLDNZXHLB-CKEIUWERSA-N 2 0 387.977 3.054 20 0 GGADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423428744 566488676 /nfs/dbraw/zinc/48/86/76/566488676.db2.gz GRIJBBXCJJUUGF-YNZJMPHRSA-N 2 0 388.268 3.469 20 0 GGADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423428735 566488818 /nfs/dbraw/zinc/48/88/18/566488818.db2.gz GRIJBBXCJJUUGF-AKWBHNSASA-N 2 0 388.268 3.469 20 0 GGADRP COCC1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC[NH2+]CC1 ZINC000423409443 566489130 /nfs/dbraw/zinc/48/91/30/566489130.db2.gz QCFXQNTXZNZURR-GOSISDBHSA-N 2 0 381.358 3.376 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493022 566490309 /nfs/dbraw/zinc/49/03/09/566490309.db2.gz PFDBWRWICCZCEK-NJZAAPMLSA-N 2 0 378.318 3.116 20 0 GGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423466252 566490730 /nfs/dbraw/zinc/49/07/30/566490730.db2.gz XABGSXAGWBCBJK-LMMKCTJWSA-N 2 0 394.357 3.137 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423545139 566492951 /nfs/dbraw/zinc/49/29/51/566492951.db2.gz XQSGUAQJPZUKCT-INIZCTEOSA-N 2 0 398.288 3.404 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(I)c1 ZINC000423544772 566493325 /nfs/dbraw/zinc/49/33/25/566493325.db2.gz IXZMWDBBZJZSDQ-AHLTXXRQSA-N 2 0 388.268 3.469 20 0 GGADRP N[C@H](C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000423792337 566495282 /nfs/dbraw/zinc/49/52/82/566495282.db2.gz BOGRRXBXVMAISP-INIZCTEOSA-N 2 0 399.347 3.231 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000512041141 566508943 /nfs/dbraw/zinc/50/89/43/566508943.db2.gz SKGMJUXYPCEKCF-GJZGRUSLSA-N 2 0 385.346 3.437 20 0 GGADRP Brc1cscc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000512135071 566515244 /nfs/dbraw/zinc/51/52/44/566515244.db2.gz DUZRKFRIDKKHRZ-UHFFFAOYSA-N 2 0 395.370 3.208 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424282816 566524416 /nfs/dbraw/zinc/52/44/16/566524416.db2.gz ARSRMAWLXXQTQO-ZDUSSCGKSA-N 2 0 383.330 3.430 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424286025 566524492 /nfs/dbraw/zinc/52/44/92/566524492.db2.gz FRZVCZHESACREI-IINYFYTJSA-N 2 0 378.685 3.374 20 0 GGADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000651466720 566524918 /nfs/dbraw/zinc/52/49/18/566524918.db2.gz JISKDJKKJKLMQV-DZGCQCFKSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1Br)OCCO3)CC[NH2+]CC2 ZINC000424283212 566525387 /nfs/dbraw/zinc/52/53/87/566525387.db2.gz BBJRXKBPBBFPTC-CYBMUJFWSA-N 2 0 381.314 3.184 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424282815 566525487 /nfs/dbraw/zinc/52/54/87/566525487.db2.gz ARSRMAWLXXQTQO-CYBMUJFWSA-N 2 0 383.330 3.430 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(F)cc(Br)c3)ccn2)CC1 ZINC000449082135 566526850 /nfs/dbraw/zinc/52/68/50/566526850.db2.gz KVPZWCYVKGLJFV-UHFFFAOYSA-N 2 0 393.304 3.025 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449073052 566528239 /nfs/dbraw/zinc/52/82/39/566528239.db2.gz HICZZJDZOGVGSF-UHFFFAOYSA-N 2 0 398.364 3.450 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424364199 566530690 /nfs/dbraw/zinc/53/06/90/566530690.db2.gz DBLHSKITFPHCIA-QZTJIDSGSA-N 2 0 394.357 3.222 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449194272 566535319 /nfs/dbraw/zinc/53/53/19/566535319.db2.gz UOQSSTRZPJTFAT-UHFFFAOYSA-N 2 0 392.341 3.322 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449246620 566540626 /nfs/dbraw/zinc/54/06/26/566540626.db2.gz CJWSZGAQWPDOLB-UQPPLGOBSA-N 2 0 398.364 3.450 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695667 566540955 /nfs/dbraw/zinc/54/09/55/566540955.db2.gz ZNBKQXZBLNUUSB-OAHLLOKOSA-N 2 0 386.993 3.002 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449246619 566541216 /nfs/dbraw/zinc/54/12/16/566541216.db2.gz CJWSZGAQWPDOLB-HPUBIQBYSA-N 2 0 398.364 3.450 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869986 566542162 /nfs/dbraw/zinc/54/21/62/566542162.db2.gz ZQFHMXWLCQGYBN-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869987 566542430 /nfs/dbraw/zinc/54/24/30/566542430.db2.gz ZQFHMXWLCQGYBN-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C)c(Br)cn1 ZINC000628278594 566543260 /nfs/dbraw/zinc/54/32/60/566543260.db2.gz XUEXCAXGIQCYNP-QGZVFWFLSA-N 2 0 383.378 3.000 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673601880 566547286 /nfs/dbraw/zinc/54/72/86/566547286.db2.gz BKFLLZPUUMBCTO-RHSMWYFYSA-N 2 0 398.364 3.277 20 0 GGADRP Cc1sc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1Br ZINC000424658745 566554060 /nfs/dbraw/zinc/55/40/60/566554060.db2.gz QQQCSGBPUBGQSY-UHFFFAOYSA-N 2 0 390.391 3.165 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578988903 566570285 /nfs/dbraw/zinc/57/02/85/566570285.db2.gz RECQHTIRQFKLJP-MRXNPFEDSA-N 2 0 384.351 3.273 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578988901 566570977 /nfs/dbraw/zinc/57/09/77/566570977.db2.gz RECQHTIRQFKLJP-INIZCTEOSA-N 2 0 384.351 3.273 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449597578 566578873 /nfs/dbraw/zinc/57/88/73/566578873.db2.gz FYBCWMVXAOZRFH-AWEZNQCLSA-N 2 0 387.337 3.203 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596719 566578886 /nfs/dbraw/zinc/57/88/86/566578886.db2.gz CFXMEQNLNMKVNM-IYOUNJFTSA-N 2 0 387.337 3.059 20 0 GGADRP COc1ccc(C[C@@H](CO)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000449596846 566579141 /nfs/dbraw/zinc/57/91/41/566579141.db2.gz CKGUCPRMTZONPR-MRXNPFEDSA-N 2 0 399.373 3.071 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449599465 566580892 /nfs/dbraw/zinc/58/08/92/566580892.db2.gz LASMTYSNJYIACB-BZSNNMDCSA-N 2 0 381.358 3.125 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449684989 566592464 /nfs/dbraw/zinc/59/24/64/566592464.db2.gz QSAIBONAXIDRFN-JQHSSLGASA-N 2 0 381.358 3.125 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000449686741 566592787 /nfs/dbraw/zinc/59/27/87/566592787.db2.gz XZXVMODQRFUWTL-OGWOLHLISA-N 2 0 383.374 3.228 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000449686736 566593210 /nfs/dbraw/zinc/59/32/10/566593210.db2.gz XZXVMODQRFUWTL-ALKREAHSSA-N 2 0 383.374 3.228 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346112 566602770 /nfs/dbraw/zinc/60/27/70/566602770.db2.gz UDQKSFJURKRJDK-MRRJBJDNSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346114 566603842 /nfs/dbraw/zinc/60/38/42/566603842.db2.gz UDQKSFJURKRJDK-SUYBPPKGSA-N 2 0 386.323 3.150 20 0 GGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000539820943 566603964 /nfs/dbraw/zinc/60/39/64/566603964.db2.gz RYFHEWHNRWEKDT-QGZVFWFLSA-N 2 0 376.595 3.472 20 0 GGADRP Brc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466905053 566607678 /nfs/dbraw/zinc/60/76/78/566607678.db2.gz PQWFSRBRQUFGMK-UHFFFAOYSA-N 2 0 397.357 3.405 20 0 GGADRP COc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000579651987 566627136 /nfs/dbraw/zinc/62/71/36/566627136.db2.gz LTNXVHACBRQQRP-DNVCBOLYSA-N 2 0 398.389 3.380 20 0 GGADRP COc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000579651989 566627387 /nfs/dbraw/zinc/62/73/87/566627387.db2.gz LTNXVHACBRQQRP-KXBFYZLASA-N 2 0 398.389 3.380 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000579701180 566630154 /nfs/dbraw/zinc/63/01/54/566630154.db2.gz YZYQTQDOIVSCOD-GOSISDBHSA-N 2 0 399.373 3.291 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000579701184 566632568 /nfs/dbraw/zinc/63/25/68/566632568.db2.gz YZYQTQDOIVSCOD-SFHVURJKSA-N 2 0 399.373 3.291 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055550 566655305 /nfs/dbraw/zinc/65/53/05/566655305.db2.gz JUDPKPBUOBGFLP-QGZVFWFLSA-N 2 0 397.361 3.329 20 0 GGADRP Cc1ncc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)n1C ZINC000514615745 566657545 /nfs/dbraw/zinc/65/75/45/566657545.db2.gz DSHHJTCHBORYEK-AWEZNQCLSA-N 2 0 392.219 3.333 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675742633 566662345 /nfs/dbraw/zinc/66/23/45/566662345.db2.gz TWDYTSLXTISQAT-QGZVFWFLSA-N 2 0 396.373 3.278 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675742632 566662785 /nfs/dbraw/zinc/66/27/85/566662785.db2.gz TWDYTSLXTISQAT-KRWDZBQOSA-N 2 0 396.373 3.278 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000629533461 566664000 /nfs/dbraw/zinc/66/40/00/566664000.db2.gz AXOLIJWRZPJJHU-SJLPKXTDSA-N 2 0 392.341 3.166 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000607226070 566665109 /nfs/dbraw/zinc/66/51/09/566665109.db2.gz WZKGSGITQJSNQO-GFCCVEGCSA-N 2 0 393.334 3.328 20 0 GGADRP O[C@@H](C[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C[NH+]1CCCC1 ZINC000629577319 566667759 /nfs/dbraw/zinc/66/77/59/566667759.db2.gz RFPLRGLIGSIMGZ-AWEZNQCLSA-N 2 0 376.850 3.437 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872769 566668561 /nfs/dbraw/zinc/66/85/61/566668561.db2.gz NYJLWPKWQZXJHO-LPHOPBHVSA-N 2 0 378.358 3.195 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2)CC1 ZINC000675872244 566669216 /nfs/dbraw/zinc/66/92/16/566669216.db2.gz IRBJSSBWRYHBCW-IFXJQAMLSA-N 2 0 396.348 3.334 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000514932699 566679747 /nfs/dbraw/zinc/67/97/47/566679747.db2.gz KNKJBKNUZZYGIO-GDBMZVCRSA-N 2 0 375.340 3.301 20 0 GGADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515002192 566685307 /nfs/dbraw/zinc/68/53/07/566685307.db2.gz DGWBTYGQUBNZIA-WILYLXEWSA-N 2 0 384.351 3.161 20 0 GGADRP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061148 566689438 /nfs/dbraw/zinc/68/94/38/566689438.db2.gz TXHXVEFOWSQLPO-IAGOWNOFSA-N 2 0 389.341 3.456 20 0 GGADRP Brc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000561402943 566701478 /nfs/dbraw/zinc/70/14/78/566701478.db2.gz WNMBTLDOCOSLSC-GOSISDBHSA-N 2 0 378.358 3.492 20 0 GGADRP CN(CCC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1)CC[NH+](C)C ZINC000515557138 566720832 /nfs/dbraw/zinc/72/08/32/566720832.db2.gz RFFADPCRHMPZSO-UHFFFAOYSA-N 2 0 396.373 3.040 20 0 GGADRP FC(F)(F)c1cnc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000580895597 566733430 /nfs/dbraw/zinc/73/34/30/566733430.db2.gz LKDIMKZAWORNLX-CYBMUJFWSA-N 2 0 376.854 3.266 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000468830812 566735661 /nfs/dbraw/zinc/73/56/61/566735661.db2.gz FLWADHZNHZBMCD-OAHLLOKOSA-N 2 0 379.961 3.445 20 0 GGADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1csc(Cl)c1 ZINC000468903979 566743143 /nfs/dbraw/zinc/74/31/43/566743143.db2.gz IXZMULCTVQEBPT-YOEHRIQHSA-N 2 0 379.957 3.341 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000677652631 566757573 /nfs/dbraw/zinc/75/75/73/566757573.db2.gz PHLKPPGQIORDIU-MRXNPFEDSA-N 2 0 384.337 3.191 20 0 GGADRP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000516469850 566764005 /nfs/dbraw/zinc/76/40/05/566764005.db2.gz XJNKBPBHYMDECN-HUUCEWRRSA-N 2 0 391.313 3.321 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000516567244 566769388 /nfs/dbraw/zinc/76/93/88/566769388.db2.gz VDLHVDLCAYRXDM-ZRGWGRIASA-N 2 0 396.373 3.107 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000581364943 566772394 /nfs/dbraw/zinc/77/23/94/566772394.db2.gz URZJNJLFKXJIGU-SJLPKXTDSA-N 2 0 399.373 3.291 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542150716 566777876 /nfs/dbraw/zinc/77/78/76/566777876.db2.gz GQZIIYFNJXHYBL-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000581636860 566794559 /nfs/dbraw/zinc/79/45/59/566794559.db2.gz UNOIGOFUDLWMTP-UHFFFAOYSA-N 2 0 387.399 3.423 20 0 GGADRP Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678337034 566795549 /nfs/dbraw/zinc/79/55/49/566795549.db2.gz QQJWEUKKRZJTGM-UHFFFAOYSA-N 2 0 380.330 3.360 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000516999900 566797910 /nfs/dbraw/zinc/79/79/10/566797910.db2.gz GINWVHADJNNOBZ-UHFFFAOYSA-N 2 0 392.345 3.241 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684630 566812146 /nfs/dbraw/zinc/81/21/46/566812146.db2.gz ASEWKZSQLPIPJZ-IFXJQAMLSA-N 2 0 378.358 3.195 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000517247275 566815344 /nfs/dbraw/zinc/81/53/44/566815344.db2.gz IUVKYQAHQOBMGM-KEYYUXOJSA-N 2 0 380.330 3.112 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000678923606 566824776 /nfs/dbraw/zinc/82/47/76/566824776.db2.gz XQURLTIUPIXUJS-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655710606 566837938 /nfs/dbraw/zinc/83/79/38/566837938.db2.gz BQBVSKMTBUENGX-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP CC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655710955 566839036 /nfs/dbraw/zinc/83/90/36/566839036.db2.gz DXMPHPLFKALGPR-HNNXBMFYSA-N 2 0 377.330 3.375 20 0 GGADRP C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000490277227 566840164 /nfs/dbraw/zinc/84/01/64/566840164.db2.gz UHEUZWQGKSUKBV-HNNXBMFYSA-N 2 0 395.345 3.327 20 0 GGADRP Brc1ccc2c(c1)CCC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000562980652 566840479 /nfs/dbraw/zinc/84/04/79/566840479.db2.gz GKAYOEAHOIMTMJ-INIZCTEOSA-N 2 0 390.329 3.201 20 0 GGADRP C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000490277228 566840737 /nfs/dbraw/zinc/84/07/37/566840737.db2.gz UHEUZWQGKSUKBV-OAHLLOKOSA-N 2 0 395.345 3.327 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3oc4ccccc4c3Br)C2)CC1 ZINC000655737810 566841063 /nfs/dbraw/zinc/84/10/63/566841063.db2.gz QLUPXCRVMDDAPW-AWEZNQCLSA-N 2 0 392.341 3.453 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Br ZINC000655759081 566845758 /nfs/dbraw/zinc/84/57/58/566845758.db2.gz IWAIICCCTFRKBN-CQSZACIVSA-N 2 0 380.330 3.311 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079954 566850461 /nfs/dbraw/zinc/85/04/61/566850461.db2.gz QGANVWJYASZKQX-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000543080379 566850513 /nfs/dbraw/zinc/85/05/13/566850513.db2.gz WXSNOWRHSIINEL-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000563135802 566857544 /nfs/dbraw/zinc/85/75/44/566857544.db2.gz UJZQXEQESCFHSS-LSDHHAIUSA-N 2 0 381.314 3.042 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000582443059 566863689 /nfs/dbraw/zinc/86/36/89/566863689.db2.gz XQDFURUOZJMQAZ-AWEZNQCLSA-N 2 0 386.353 3.135 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)sc1Br ZINC000563475573 566887624 /nfs/dbraw/zinc/88/76/24/566887624.db2.gz KEXZVEIDGLZCSA-UHFFFAOYSA-N 2 0 384.343 3.444 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000563530302 566893631 /nfs/dbraw/zinc/89/36/31/566893631.db2.gz OXMIDHALGZRIHB-UHFFFAOYSA-N 2 0 382.346 3.489 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000491587716 566911432 /nfs/dbraw/zinc/91/14/32/566911432.db2.gz BDCCLXSZLOKODU-AWEZNQCLSA-N 2 0 396.373 3.149 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc2c1cccc2Br ZINC000519000742 566914093 /nfs/dbraw/zinc/91/40/93/566914093.db2.gz IVZQBNCOLXHFIW-ZDUSSCGKSA-N 2 0 382.371 3.389 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc2c1cccc2Br ZINC000519000741 566914207 /nfs/dbraw/zinc/91/42/07/566914207.db2.gz IVZQBNCOLXHFIW-CYBMUJFWSA-N 2 0 382.371 3.389 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000470961756 566918932 /nfs/dbraw/zinc/91/89/32/566918932.db2.gz YNKBHAJIDQRUOE-MRXNPFEDSA-N 2 0 394.357 3.441 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000544010928 566927688 /nfs/dbraw/zinc/92/76/88/566927688.db2.gz IPPKNNGTCRVDDA-RDTXWAMCSA-N 2 0 394.357 3.004 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429080 566930467 /nfs/dbraw/zinc/93/04/67/566930467.db2.gz SDAWGMSNZCLEAK-INIZCTEOSA-N 2 0 383.374 3.453 20 0 GGADRP Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940327 566942237 /nfs/dbraw/zinc/94/22/37/566942237.db2.gz RAGUGZRPADPUKB-KSSFIOAISA-N 2 0 394.357 3.183 20 0 GGADRP Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940321 566942498 /nfs/dbraw/zinc/94/24/98/566942498.db2.gz RAGUGZRPADPUKB-KBXCAEBGSA-N 2 0 394.357 3.183 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564078554 566942968 /nfs/dbraw/zinc/94/29/68/566942968.db2.gz SSKXILIFPSBFAQ-ZBFHGGJFSA-N 2 0 375.340 3.301 20 0 GGADRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000471544665 566959122 /nfs/dbraw/zinc/95/91/22/566959122.db2.gz BYFGAADUFITMBD-UHFFFAOYSA-N 2 0 384.343 3.240 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000471604673 566964882 /nfs/dbraw/zinc/96/48/82/566964882.db2.gz JXRYYPDHDSNZMB-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP CSc1cc(Br)ccc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000583693289 566975050 /nfs/dbraw/zinc/97/50/50/566975050.db2.gz JHQMPJJRWMWDHH-CQSZACIVSA-N 2 0 385.371 3.358 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000584096696 567012606 /nfs/dbraw/zinc/01/26/06/567012606.db2.gz GKDSEVOMFMURMJ-KRWDZBQOSA-N 2 0 387.977 3.021 20 0 GGADRP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000584160194 567017466 /nfs/dbraw/zinc/01/74/66/567017466.db2.gz LHUXMTORIGXHHH-SNVBAGLBSA-N 2 0 392.135 3.309 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000584208282 567022341 /nfs/dbraw/zinc/02/23/41/567022341.db2.gz FNJJSXMTBMXEIG-SFHVURJKSA-N 2 0 380.374 3.362 20 0 GGADRP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000430589581 567022743 /nfs/dbraw/zinc/02/27/43/567022743.db2.gz IMRXDQFDYUNHKN-UHFFFAOYSA-N 2 0 378.314 3.327 20 0 GGADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430579274 567023197 /nfs/dbraw/zinc/02/31/97/567023197.db2.gz CAQGUHRVEMSCEF-ZIAGYGMSSA-N 2 0 388.293 3.119 20 0 GGADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430579273 567023292 /nfs/dbraw/zinc/02/32/92/567023292.db2.gz CAQGUHRVEMSCEF-UONOGXRCSA-N 2 0 388.293 3.119 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000584227387 567023956 /nfs/dbraw/zinc/02/39/56/567023956.db2.gz OUUODKYHAXXICS-UHFFFAOYSA-N 2 0 382.346 3.489 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000564973367 567025716 /nfs/dbraw/zinc/02/57/16/567025716.db2.gz BYSPLXMBIVVODC-IUCAKERBSA-N 2 0 380.124 3.436 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430918533 567040327 /nfs/dbraw/zinc/04/03/27/567040327.db2.gz HSVVMZGVWLGRBD-UHFFFAOYSA-N 2 0 397.357 3.440 20 0 GGADRP Brc1ccc(-c2c[nH]c(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000430910027 567040779 /nfs/dbraw/zinc/04/07/79/567040779.db2.gz DHKXCSJAWICWKR-UHFFFAOYSA-N 2 0 375.314 3.415 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000584463956 567045248 /nfs/dbraw/zinc/04/52/48/567045248.db2.gz XIZIZKQPKSWRMP-CYBMUJFWSA-N 2 0 389.323 3.283 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000657337345 567049557 /nfs/dbraw/zinc/04/95/57/567049557.db2.gz RNEWNCVXSYTJIX-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000657351687 567050278 /nfs/dbraw/zinc/05/02/78/567050278.db2.gz SHBRTSFRIXAGPC-UHFFFAOYSA-N 2 0 392.341 3.425 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453081849 567051335 /nfs/dbraw/zinc/05/13/35/567051335.db2.gz MHDNFOZDQIYLGK-HXUWFJFHSA-N 2 0 394.401 3.387 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453101001 567052631 /nfs/dbraw/zinc/05/26/31/567052631.db2.gz XRQSFIZAXAXJGS-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000453090305 567053067 /nfs/dbraw/zinc/05/30/67/567053067.db2.gz CCOHJOCPQWYLSJ-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453098716 567053215 /nfs/dbraw/zinc/05/32/15/567053215.db2.gz KDPVUISCANSXAG-IBGZPJMESA-N 2 0 381.358 3.064 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000657433470 567056192 /nfs/dbraw/zinc/05/61/92/567056192.db2.gz YHZBCUXZVHHDGC-SFHVURJKSA-N 2 0 390.325 3.009 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453131946 567056784 /nfs/dbraw/zinc/05/67/84/567056784.db2.gz MEGQHTZVVPFSPG-FQEVSTJZSA-N 2 0 394.401 3.386 20 0 GGADRP CCC[NH+]1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000545518247 567057999 /nfs/dbraw/zinc/05/79/99/567057999.db2.gz RCDNCKUSMQXBPK-UHFFFAOYSA-N 2 0 379.346 3.412 20 0 GGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000565334211 567058808 /nfs/dbraw/zinc/05/88/08/567058808.db2.gz IZSCZZADQPORBO-LJQANCHMSA-N 2 0 398.389 3.382 20 0 GGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000565539891 567077259 /nfs/dbraw/zinc/07/72/59/567077259.db2.gz GBKQJPUGYVKQKT-OALUTQOASA-N 2 0 389.337 3.349 20 0 GGADRP CN1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000545859432 567081939 /nfs/dbraw/zinc/08/19/39/567081939.db2.gz CQLRRBAWBLWTDA-QGZVFWFLSA-N 2 0 381.339 3.334 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000453380881 567083706 /nfs/dbraw/zinc/08/37/06/567083706.db2.gz RMYBQBLCJIBDSJ-IIHSZXCVSA-N 2 0 383.374 3.227 20 0 GGADRP CSC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC[NH+](C)CC1 ZINC000565626015 567085265 /nfs/dbraw/zinc/08/52/65/567085265.db2.gz KNRYVMWYESZLPK-UHFFFAOYSA-N 2 0 385.371 3.301 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000683145331 567097425 /nfs/dbraw/zinc/09/74/25/567097425.db2.gz KHEQZBTZHXNUHM-AWEZNQCLSA-N 2 0 386.765 3.361 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657836861 567100598 /nfs/dbraw/zinc/10/05/98/567100598.db2.gz PJLQYUVWDKSYEM-LPHOPBHVSA-N 2 0 382.390 3.386 20 0 GGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657882600 567102390 /nfs/dbraw/zinc/10/23/90/567102390.db2.gz SODFESPAKDHEPS-APWZRJJASA-N 2 0 382.390 3.242 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976826 567109999 /nfs/dbraw/zinc/10/99/99/567109999.db2.gz SVDULWOIWSTPJX-QFBILLFUSA-N 2 0 382.390 3.386 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976824 567110838 /nfs/dbraw/zinc/11/08/38/567110838.db2.gz SVDULWOIWSTPJX-APWZRJJASA-N 2 0 382.390 3.386 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2)CC1 ZINC000683347369 567115184 /nfs/dbraw/zinc/11/51/84/567115184.db2.gz PMHYSSCJBJTVQG-AVAKVYKDSA-N 2 0 392.385 3.453 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2)CC1 ZINC000683347370 567117161 /nfs/dbraw/zinc/11/71/61/567117161.db2.gz PMHYSSCJBJTVQG-CUYAVPTFSA-N 2 0 392.385 3.453 20 0 GGADRP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cnc12 ZINC000566010058 567117440 /nfs/dbraw/zinc/11/74/40/567117440.db2.gz VUQMVQLNYRKYDI-CABCVRRESA-N 2 0 377.330 3.227 20 0 GGADRP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cnc12 ZINC000566010061 567117985 /nfs/dbraw/zinc/11/79/85/567117985.db2.gz VUQMVQLNYRKYDI-LSDHHAIUSA-N 2 0 377.330 3.227 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000566242148 567142716 /nfs/dbraw/zinc/14/27/16/567142716.db2.gz KDQPALHWAIYSLH-DZGCQCFKSA-N 2 0 384.351 3.492 20 0 GGADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432426294 567160137 /nfs/dbraw/zinc/16/01/37/567160137.db2.gz PZAGSWWGHVELCY-NKELODKYSA-N 2 0 381.358 3.378 20 0 GGADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(Br)c1O ZINC000566591087 567169489 /nfs/dbraw/zinc/16/94/89/567169489.db2.gz RQSZUDIZXHLBCJ-UHFFFAOYSA-N 2 0 389.359 3.080 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738883 567185180 /nfs/dbraw/zinc/18/51/80/567185180.db2.gz ZERAIMANZFWIMQ-YXWQFLTLSA-N 2 0 380.330 3.144 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000566749250 567187109 /nfs/dbraw/zinc/18/71/09/567187109.db2.gz RCNKLTIWVUEXLA-CQSZACIVSA-N 2 0 380.330 3.311 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000474723863 567193444 /nfs/dbraw/zinc/19/34/44/567193444.db2.gz HDOKRSPJKDMLLJ-LBPRGKRZSA-N 2 0 394.279 3.193 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474707283 567193645 /nfs/dbraw/zinc/19/36/45/567193645.db2.gz JFOBJNVIFXRVPG-MRXNPFEDSA-N 2 0 386.367 3.493 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474711514 567193968 /nfs/dbraw/zinc/19/39/68/567193968.db2.gz KZNXCCOEUSWAGG-LBPRGKRZSA-N 2 0 394.279 3.193 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474707282 567194730 /nfs/dbraw/zinc/19/47/30/567194730.db2.gz JFOBJNVIFXRVPG-INIZCTEOSA-N 2 0 386.367 3.493 20 0 GGADRP CN[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300274 567201780 /nfs/dbraw/zinc/20/17/80/567201780.db2.gz OPZAVJFGKCXPBB-YOEHRIQHSA-N 2 0 382.291 3.079 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000684552892 567216532 /nfs/dbraw/zinc/21/65/32/567216532.db2.gz JNHVRFSLZVXRSU-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[NH2+]C[C@@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000659647907 567222975 /nfs/dbraw/zinc/22/29/75/567222975.db2.gz YRQBMQLXAZXEOF-CYBMUJFWSA-N 2 0 375.344 3.065 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000433130174 567224985 /nfs/dbraw/zinc/22/49/85/567224985.db2.gz HAKDMARAHINPDY-UHFFFAOYSA-N 2 0 394.357 3.143 20 0 GGADRP CC[C@@H](Cc1ccccc1Br)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433126248 567225047 /nfs/dbraw/zinc/22/50/47/567225047.db2.gz BVQBSNNPLQYWLP-KRWDZBQOSA-N 2 0 396.373 3.090 20 0 GGADRP C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433139665 567226715 /nfs/dbraw/zinc/22/67/15/567226715.db2.gz CBCLHYDXKHGVHY-HNNXBMFYSA-N 2 0 396.373 3.090 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000433165348 567227558 /nfs/dbraw/zinc/22/75/58/567227558.db2.gz BTXZYDCGEUDDJF-INIZCTEOSA-N 2 0 377.838 3.263 20 0 GGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000499378668 567242700 /nfs/dbraw/zinc/24/27/00/567242700.db2.gz BEGJXLCQLHTICI-MRXNPFEDSA-N 2 0 398.389 3.285 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372303 567245189 /nfs/dbraw/zinc/24/51/89/567245189.db2.gz CGEVMJPTVINZPX-QGZVFWFLSA-N 2 0 397.361 3.329 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638366619 567245099 /nfs/dbraw/zinc/24/50/99/567245099.db2.gz PSGKSDSPOPDHRM-AWEZNQCLSA-N 2 0 380.334 3.236 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3N)cn2)CC1 ZINC000638346398 567245533 /nfs/dbraw/zinc/24/55/33/567245533.db2.gz BOUPRSPKMBBVKU-UHFFFAOYSA-N 2 0 380.323 3.012 20 0 GGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787269 567248492 /nfs/dbraw/zinc/24/84/92/567248492.db2.gz XQAWSWMATUMRQN-SFHVURJKSA-N 2 0 399.373 3.241 20 0 GGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081105 567258350 /nfs/dbraw/zinc/25/83/50/567258350.db2.gz CVRQZSIMDACJLG-WBMJQRKESA-N 2 0 393.329 3.170 20 0 GGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081104 567258574 /nfs/dbraw/zinc/25/85/74/567258574.db2.gz CVRQZSIMDACJLG-MLGOLLRUSA-N 2 0 393.329 3.170 20 0 GGADRP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Br)c1 ZINC000525890290 567273334 /nfs/dbraw/zinc/27/33/34/567273334.db2.gz GHDBRNUIGDYGHC-UHFFFAOYSA-N 2 0 385.350 3.023 20 0 GGADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638852929 567274550 /nfs/dbraw/zinc/27/45/50/567274550.db2.gz OMOGOYQXFHJAKW-KDOFPFPSSA-N 2 0 399.373 3.350 20 0 GGADRP COc1ccc(Br)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000685457676 567275150 /nfs/dbraw/zinc/27/51/50/567275150.db2.gz IYITXNMUYKEADS-QGZVFWFLSA-N 2 0 396.373 3.058 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000567773859 567275219 /nfs/dbraw/zinc/27/52/19/567275219.db2.gz QDVPLCMNJWLMON-LJQANCHMSA-N 2 0 396.373 3.202 20 0 GGADRP C[C@@H](CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[NH+](C)C ZINC000455441993 567275736 /nfs/dbraw/zinc/27/57/36/567275736.db2.gz NOPWLMZFYZGBNN-ZDUSSCGKSA-N 2 0 387.355 3.207 20 0 GGADRP COc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639039631 567282266 /nfs/dbraw/zinc/28/22/66/567282266.db2.gz UFNAFAMSJFAERY-UHFFFAOYSA-N 2 0 399.373 3.215 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Br)cc1 ZINC000548152969 567283238 /nfs/dbraw/zinc/28/32/38/567283238.db2.gz JCZYXCNJVAXDTM-UHFFFAOYSA-N 2 0 385.350 3.186 20 0 GGADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(Br)cc1F ZINC000499912503 567284080 /nfs/dbraw/zinc/28/40/80/567284080.db2.gz JAVLYYBYLMPWAA-UHFFFAOYSA-N 2 0 386.309 3.335 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000591578345 567286431 /nfs/dbraw/zinc/28/64/31/567286431.db2.gz SOXCSAKNBMSMNX-UKRRQHHQSA-N 2 0 386.277 3.237 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567894640 567288797 /nfs/dbraw/zinc/28/87/97/567288797.db2.gz KZBCDVHWIBPOPW-HOTGVXAUSA-N 2 0 384.351 3.273 20 0 GGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513197 567334223 /nfs/dbraw/zinc/33/42/23/567334223.db2.gz KHHIILHWDAJEEX-ZDUSSCGKSA-N 2 0 386.323 3.009 20 0 GGADRP Clc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000592471051 567340583 /nfs/dbraw/zinc/34/05/83/567340583.db2.gz WCTOKOCZFROSEJ-FRRDWIJNSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1cc(I)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592471013 567341041 /nfs/dbraw/zinc/34/10/41/567341041.db2.gz RUPHVSSCRHSBIR-SLEUVZQESA-N 2 0 390.696 3.422 20 0 GGADRP Clc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000592471052 567341124 /nfs/dbraw/zinc/34/11/24/567341124.db2.gz WCTOKOCZFROSEJ-JHJVBQTASA-N 2 0 390.696 3.422 20 0 GGADRP Clc1cc(I)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592471012 567341129 /nfs/dbraw/zinc/34/11/29/567341129.db2.gz RUPHVSSCRHSBIR-LALPHHSUSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nn2)cc1Cl ZINC000568628681 567345423 /nfs/dbraw/zinc/34/54/23/567345423.db2.gz VFKLXGDSIFVCPG-KBPBESRZSA-N 2 0 380.323 3.396 20 0 GGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749484 567353797 /nfs/dbraw/zinc/35/37/97/567353797.db2.gz YGGZMGCVDCSBBG-VHSSKADRSA-N 2 0 375.314 3.436 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435377115 567358310 /nfs/dbraw/zinc/35/83/10/567358310.db2.gz YCUGYEPKDHMACX-WFASDCNBSA-N 2 0 377.330 3.421 20 0 GGADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527866124 567379674 /nfs/dbraw/zinc/37/96/74/567379674.db2.gz NTLXFENGIVQOMO-GFCCVEGCSA-N 2 0 390.316 3.404 20 0 GGADRP CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435623420 567379820 /nfs/dbraw/zinc/37/98/20/567379820.db2.gz CNYVAYWBSNDAFF-AWEZNQCLSA-N 2 0 386.309 3.381 20 0 GGADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527866125 567380025 /nfs/dbraw/zinc/38/00/25/567380025.db2.gz NTLXFENGIVQOMO-LBPRGKRZSA-N 2 0 390.316 3.404 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527859260 567380620 /nfs/dbraw/zinc/38/06/20/567380620.db2.gz OVPCPLHZJRLNAY-VXGBXAGGSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)c(Br)cc1F ZINC000527898308 567383345 /nfs/dbraw/zinc/38/33/45/567383345.db2.gz XIYAWTMRBKULDM-GFCCVEGCSA-N 2 0 390.316 3.404 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000661643998 567385262 /nfs/dbraw/zinc/38/52/62/567385262.db2.gz RBNFQWCCKSZFLZ-GOSISDBHSA-N 2 0 388.383 3.375 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000569214143 567386444 /nfs/dbraw/zinc/38/64/44/567386444.db2.gz AYWAXUAJMJUUTH-HNNXBMFYSA-N 2 0 376.488 3.026 20 0 GGADRP Brc1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000569245479 567389820 /nfs/dbraw/zinc/38/98/20/567389820.db2.gz KLVGTOFYTLMEKW-NWDGAFQWSA-N 2 0 397.342 3.382 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501492727 567393023 /nfs/dbraw/zinc/39/30/23/567393023.db2.gz WJSHXQMNBTUQEP-GFCCVEGCSA-N 2 0 377.273 3.054 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549523502 567395194 /nfs/dbraw/zinc/39/51/94/567395194.db2.gz HHTBDGXAVUIVAW-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000593320730 567406412 /nfs/dbraw/zinc/40/64/12/567406412.db2.gz FIHPPRUCZPYXIH-NSHDSACASA-N 2 0 376.257 3.471 20 0 GGADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)[C@@H]1CCC[NH3+] ZINC000662313072 567425971 /nfs/dbraw/zinc/42/59/71/567425971.db2.gz HZEHMLMFHPVESE-MLGOLLRUSA-N 2 0 386.309 3.366 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662294402 567426219 /nfs/dbraw/zinc/42/62/19/567426219.db2.gz VUKXGIFJGGDDBU-MRXNPFEDSA-N 2 0 394.357 3.489 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](C)[NH3+] ZINC000641442296 567435652 /nfs/dbraw/zinc/43/56/52/567435652.db2.gz QJIJFJVIYPIHRP-ZDUSSCGKSA-N 2 0 375.344 3.194 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000569826499 567436286 /nfs/dbraw/zinc/43/62/86/567436286.db2.gz YMFZBNWYALMDNM-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474175 567439834 /nfs/dbraw/zinc/43/98/34/567439834.db2.gz UBOUFBWPEBGTDC-FZKQIMNGSA-N 2 0 375.563 3.268 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000502594810 567443839 /nfs/dbraw/zinc/44/38/39/567443839.db2.gz KJSYRAXBAQBMNM-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(-c2cccs2)n1 ZINC000502607859 567445304 /nfs/dbraw/zinc/44/53/04/567445304.db2.gz MYJHGJGCBVOHJD-UHFFFAOYSA-N 2 0 380.583 3.217 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000569924150 567445324 /nfs/dbraw/zinc/44/53/24/567445324.db2.gz RVHGIFVCJOLWCM-KXBFYZLASA-N 2 0 384.351 3.273 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000570037144 567454119 /nfs/dbraw/zinc/45/41/19/567454119.db2.gz OPRACTDWSJYHTB-AEFFLSMTSA-N 2 0 399.373 3.433 20 0 GGADRP C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000502842374 567457707 /nfs/dbraw/zinc/45/77/07/567457707.db2.gz MWLGUPHDNIPEFD-INIZCTEOSA-N 2 0 379.595 3.001 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000570570040 567496287 /nfs/dbraw/zinc/49/62/87/567496287.db2.gz KCPVONNMZSJTPY-DTWKUNHWSA-N 2 0 380.124 3.436 20 0 GGADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479054591 567497732 /nfs/dbraw/zinc/49/77/32/567497732.db2.gz DGJDUOFVPNNLGJ-FZKQIMNGSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479054594 567497777 /nfs/dbraw/zinc/49/77/77/567497777.db2.gz DGJDUOFVPNNLGJ-UGSOOPFHSA-N 2 0 384.337 3.265 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479061469 567499071 /nfs/dbraw/zinc/49/90/71/567499071.db2.gz NTLUCUHDBMJBTB-CRAIPNDOSA-N 2 0 394.357 3.004 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062322 567499741 /nfs/dbraw/zinc/49/97/41/567499741.db2.gz OUNHYFLXGXDMCW-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479067075 567499885 /nfs/dbraw/zinc/49/98/85/567499885.db2.gz LCUSKHSGBDASBB-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000479058716 567499890 /nfs/dbraw/zinc/49/98/90/567499890.db2.gz JUONCWJMRAAZEE-RDTXWAMCSA-N 2 0 380.374 3.397 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479072100 567500620 /nfs/dbraw/zinc/50/06/20/567500620.db2.gz AUBFMLMSVYRZKP-GOSISDBHSA-N 2 0 385.321 3.333 20 0 GGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663374119 567501961 /nfs/dbraw/zinc/50/19/61/567501961.db2.gz DYSWWCIFWGLFLX-QGZVFWFLSA-N 2 0 387.351 3.445 20 0 GGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663374118 567502735 /nfs/dbraw/zinc/50/27/35/567502735.db2.gz DYSWWCIFWGLFLX-KRWDZBQOSA-N 2 0 387.351 3.445 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000437798514 567509241 /nfs/dbraw/zinc/50/92/41/567509241.db2.gz KYLNKQBAMNPCKT-UHFFFAOYSA-N 2 0 394.357 3.222 20 0 GGADRP CCOc1c(Br)cc(CN[C@H](C)C[NH2+]C)cc1Br ZINC000663507196 567511793 /nfs/dbraw/zinc/51/17/93/567511793.db2.gz LKJWMVIDBBMURC-SECBINFHSA-N 2 0 380.124 3.308 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479339103 567526420 /nfs/dbraw/zinc/52/64/20/567526420.db2.gz ATZCDNXRCNDKLJ-GOSISDBHSA-N 2 0 380.374 3.399 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000595010176 567534921 /nfs/dbraw/zinc/53/49/21/567534921.db2.gz IDUXPOJTJSYDJC-YQQAZPJKSA-N 2 0 382.289 3.495 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000595010174 567534944 /nfs/dbraw/zinc/53/49/44/567534944.db2.gz IDUXPOJTJSYDJC-BFYDXBDKSA-N 2 0 382.289 3.495 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479451599 567536282 /nfs/dbraw/zinc/53/62/82/567536282.db2.gz KIUKZZWUODZYNY-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000571333719 567554610 /nfs/dbraw/zinc/55/46/10/567554610.db2.gz GPNZKOZHHPRKRK-HNNXBMFYSA-N 2 0 387.399 3.423 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644529877 567556785 /nfs/dbraw/zinc/55/67/85/567556785.db2.gz HLYDSFZTTPJJTF-HNNXBMFYSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532068 567556814 /nfs/dbraw/zinc/55/68/14/567556814.db2.gz YTJVTNUMHHBKMZ-CABCVRRESA-N 2 0 375.340 3.443 20 0 GGADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1cccc(Br)c1 ZINC000644525701 567556889 /nfs/dbraw/zinc/55/68/89/567556889.db2.gz WZHPQIHXQWHKFO-UHFFFAOYSA-N 2 0 380.330 3.242 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644588779 567560819 /nfs/dbraw/zinc/56/08/19/567560819.db2.gz UBQNWKYCSQRVAV-LSDHHAIUSA-N 2 0 375.340 3.301 20 0 GGADRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000644621028 567564834 /nfs/dbraw/zinc/56/48/34/567564834.db2.gz NULYSOSDCLYUII-RDJZCZTQSA-N 2 0 385.346 3.043 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155428 567608544 /nfs/dbraw/zinc/60/85/44/567608544.db2.gz VPKKIEIOESISCV-SJORKVTESA-N 2 0 392.385 3.065 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572159515 567618645 /nfs/dbraw/zinc/61/86/45/567618645.db2.gz PYZVCBVYVAWJDO-DZGCQCFKSA-N 2 0 380.330 3.098 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)CC1 ZINC000645409072 567622130 /nfs/dbraw/zinc/62/21/30/567622130.db2.gz SOBYJARKNRYWMU-IUODEOHRSA-N 2 0 384.387 3.256 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)CC1 ZINC000645409073 567622207 /nfs/dbraw/zinc/62/22/07/567622207.db2.gz SOBYJARKNRYWMU-SWLSCSKDSA-N 2 0 384.387 3.256 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)CC1 ZINC000645409074 567622532 /nfs/dbraw/zinc/62/25/32/567622532.db2.gz SOBYJARKNRYWMU-WFASDCNBSA-N 2 0 384.387 3.256 20 0 GGADRP Brc1cccc2[nH]c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc21 ZINC000572220843 567622755 /nfs/dbraw/zinc/62/27/55/567622755.db2.gz GMFPWYWZAAXDBA-UHFFFAOYSA-N 2 0 386.297 3.479 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000530845327 567626250 /nfs/dbraw/zinc/62/62/50/567626250.db2.gz HKXZVPPPQIVWCL-UHFFFAOYSA-N 2 0 389.371 3.061 20 0 GGADRP CN1CC[NH+](CC2(C)CCN(Cc3cccc(O)c3Br)CC2)CC1 ZINC000459484932 567629199 /nfs/dbraw/zinc/62/91/99/567629199.db2.gz OINAKBSWFITHMS-UHFFFAOYSA-N 2 0 396.373 3.004 20 0 GGADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000459561160 567637615 /nfs/dbraw/zinc/63/76/15/567637615.db2.gz QYEQSVIMXUQDSZ-GOSISDBHSA-N 2 0 394.288 3.275 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1c(Cl)cccc1Cl ZINC000622128611 567639136 /nfs/dbraw/zinc/63/91/36/567639136.db2.gz ZXQQFDLJDBYDKF-UHFFFAOYSA-N 2 0 389.371 3.408 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459691563 567650985 /nfs/dbraw/zinc/65/09/85/567650985.db2.gz GDZFXODXVZEUQK-HNNXBMFYSA-N 2 0 387.337 3.203 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459777233 567657633 /nfs/dbraw/zinc/65/76/33/567657633.db2.gz KIVPULNNHNFDLD-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763215 567663225 /nfs/dbraw/zinc/66/32/25/567663225.db2.gz TXEHPXYAUJTQPP-KBPBESRZSA-N 2 0 383.330 3.288 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763216 567663527 /nfs/dbraw/zinc/66/35/27/567663527.db2.gz TXEHPXYAUJTQPP-KGLIPLIRSA-N 2 0 383.330 3.288 20 0 GGADRP CSc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)cc1Cl ZINC000531618256 567669812 /nfs/dbraw/zinc/66/98/12/567669812.db2.gz MQULGHVNJVTLGA-UHFFFAOYSA-N 2 0 378.369 3.281 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000531937208 567690194 /nfs/dbraw/zinc/69/01/94/567690194.db2.gz MFEUFGBWQFWYPI-XOKHGSTOSA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000623356908 567703417 /nfs/dbraw/zinc/70/34/17/567703417.db2.gz OFUHLDHKEDYGFG-UHFFFAOYSA-N 2 0 390.316 3.235 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1C ZINC000460906683 567709805 /nfs/dbraw/zinc/70/98/05/567709805.db2.gz DDOMTPUFXZLKKP-QGZVFWFLSA-N 2 0 396.373 3.246 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1(C)C ZINC000442877051 567714173 /nfs/dbraw/zinc/71/41/73/567714173.db2.gz QQZTVMBGHJOVMM-KRWDZBQOSA-N 2 0 396.373 3.278 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1(C)C ZINC000442869695 567714269 /nfs/dbraw/zinc/71/42/69/567714269.db2.gz FBCYOFGCUPXBCU-KRWDZBQOSA-N 2 0 396.373 3.278 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1(C)C ZINC000442870598 567714649 /nfs/dbraw/zinc/71/46/49/567714649.db2.gz GFSDBFRMUQYTEY-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000666927886 567714717 /nfs/dbraw/zinc/71/47/17/567714717.db2.gz DXZSPSVRTKTMOH-JKSUJKDBSA-N 2 0 375.314 3.317 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954149 567715349 /nfs/dbraw/zinc/71/53/49/567715349.db2.gz QYQAMGNSHOOXPE-SFHVURJKSA-N 2 0 378.358 3.145 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995106 567716869 /nfs/dbraw/zinc/71/68/69/567716869.db2.gz DKAPXLFLSAWQEZ-CJNGLKHVSA-N 2 0 380.330 3.431 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995134 567717281 /nfs/dbraw/zinc/71/72/81/567717281.db2.gz DRJJDSOQHIUCGO-CJNGLKHVSA-N 2 0 380.330 3.431 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000573490521 567717930 /nfs/dbraw/zinc/71/79/30/567717930.db2.gz NVIAWPAMUNHPKJ-HNNXBMFYSA-N 2 0 380.330 3.099 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000554718566 567744015 /nfs/dbraw/zinc/74/40/15/567744015.db2.gz WTOIIVMCLOQMJM-CJNGLKHVSA-N 2 0 375.326 3.466 20 0 GGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)CC1 ZINC000554878647 567754475 /nfs/dbraw/zinc/75/44/75/567754475.db2.gz CNIHMHFUGLPRNU-INIZCTEOSA-N 2 0 395.341 3.384 20 0 GGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)CC1 ZINC000554878649 567754485 /nfs/dbraw/zinc/75/44/85/567754485.db2.gz CNIHMHFUGLPRNU-MRXNPFEDSA-N 2 0 395.341 3.384 20 0 GGADRP CSC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CC[NH+](C)CC1 ZINC000554981956 567761676 /nfs/dbraw/zinc/76/16/76/567761676.db2.gz JJYHIYXGRLOACW-UHFFFAOYSA-N 2 0 383.359 3.014 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000533326596 567763765 /nfs/dbraw/zinc/76/37/65/567763765.db2.gz YCHIXRZGWKOYPQ-UHFFFAOYSA-N 2 0 392.341 3.168 20 0 GGADRP C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000574632150 567789500 /nfs/dbraw/zinc/78/95/00/567789500.db2.gz XVNRTWYMYXJZCQ-DOTOQJQBSA-N 2 0 385.346 3.043 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000647545705 567790797 /nfs/dbraw/zinc/79/07/97/567790797.db2.gz HYJVUNGENHWELE-KBPBESRZSA-N 2 0 383.330 3.288 20 0 GGADRP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647552199 567790972 /nfs/dbraw/zinc/79/09/72/567790972.db2.gz MDKFLGIVDWOORU-FUHIMQAGSA-N 2 0 392.385 3.391 20 0 GGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647789387 567800926 /nfs/dbraw/zinc/80/09/26/567800926.db2.gz CECPOLHSMPTRJW-TXPKVOOTSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647790061 567800963 /nfs/dbraw/zinc/80/09/63/567800963.db2.gz QQAWRRPBIBGRAP-MBOZVWFJSA-N 2 0 392.385 3.391 20 0 GGADRP Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791660 567801206 /nfs/dbraw/zinc/80/12/06/567801206.db2.gz JTIIEMBMAUPJGG-KYHPRHEASA-N 2 0 378.358 3.253 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791707 567801640 /nfs/dbraw/zinc/80/16/40/567801640.db2.gz KSGCPOXTPRYQNO-SQWLQELKSA-N 2 0 380.330 3.064 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791704 567801704 /nfs/dbraw/zinc/80/17/04/567801704.db2.gz KSGCPOXTPRYQNO-IIAWOOMASA-N 2 0 380.330 3.064 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCOCC2)c1 ZINC000647792138 567801811 /nfs/dbraw/zinc/80/18/11/567801811.db2.gz UJRFSRMXDOCXIS-FRQCXROJSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791663 567801922 /nfs/dbraw/zinc/80/19/22/567801922.db2.gz JTIIEMBMAUPJGG-YFHUEUNASA-N 2 0 378.358 3.253 20 0 GGADRP Brc1cncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798834 567801926 /nfs/dbraw/zinc/80/19/26/567801926.db2.gz XZSURWKBYADAND-GARJFASQSA-N 2 0 389.135 3.084 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791863 567802227 /nfs/dbraw/zinc/80/22/27/567802227.db2.gz OSVZEPMIMOFXPM-XDQVBPFNSA-N 2 0 381.314 3.259 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975754 567808686 /nfs/dbraw/zinc/80/86/86/567808686.db2.gz FOPWBBSQPRAVPY-HOTGVXAUSA-N 2 0 394.357 3.408 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647976954 567808857 /nfs/dbraw/zinc/80/88/57/567808857.db2.gz WHJXSZFLNQTCSF-CVEARBPZSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000647977906 567809151 /nfs/dbraw/zinc/80/91/51/567809151.db2.gz JQJHGJIBDWUNGU-HZPDHXFCSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647977051 567809224 /nfs/dbraw/zinc/80/92/24/567809224.db2.gz XKZQEXUXKJUDGC-CVEARBPZSA-N 2 0 394.357 3.489 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987296 567809900 /nfs/dbraw/zinc/80/99/00/567809900.db2.gz GUOOLGAEIUZNMK-RRFJBIMHSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820667613 599449172 /nfs/dbraw/zinc/44/91/72/599449172.db2.gz NCBPAPHCWUQFHU-LPHOPBHVSA-N 2 0 392.507 3.018 20 0 GGADRP O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000833773100 605222437 /nfs/dbraw/zinc/22/24/37/605222437.db2.gz IMRCSSXSJYZJCU-UHFFFAOYSA-N 2 0 387.568 3.481 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000820710080 606409003 /nfs/dbraw/zinc/40/90/03/606409003.db2.gz NTSUPKMBPKWMRA-HNNXBMFYSA-N 2 0 382.537 3.450 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820759384 606742287 /nfs/dbraw/zinc/74/22/87/606742287.db2.gz KRICZVVOBGYGNL-IRXDYDNUSA-N 2 0 376.508 3.113 20 0 GGADRP C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000820413636 607084265 /nfs/dbraw/zinc/08/42/65/607084265.db2.gz SVLICARZOXATRM-HOTGVXAUSA-N 2 0 380.496 3.219 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 ZINC000054037579 1406598257 /nfs/dbraw/zinc/59/82/57/1406598257.db2.gz JMUOSDIJNXMKTR-IAGOWNOFSA-N 2 0 390.553 3.470 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054382359 1406709792 /nfs/dbraw/zinc/70/97/92/1406709792.db2.gz CCKQTKCYPKIUPM-UHFFFAOYSA-N 2 0 395.551 3.000 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000054511537 1406757892 /nfs/dbraw/zinc/75/78/92/1406757892.db2.gz XMWFWASRSKPACX-VQTJNVASSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000054539969 1406765806 /nfs/dbraw/zinc/76/58/06/1406765806.db2.gz AZVAPAJICICFSA-NEWSRXKRSA-N 2 0 386.565 3.486 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000054719513 1406812336 /nfs/dbraw/zinc/81/23/36/1406812336.db2.gz CBPHCQZLUYNCHK-UXPWSPDFSA-N 2 0 386.565 3.486 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054761324 1406820314 /nfs/dbraw/zinc/82/03/14/1406820314.db2.gz PWINAILGIZUGLK-UHFFFAOYSA-N 2 0 386.515 3.031 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)Cc1ccccc1 ZINC000054762621 1406820722 /nfs/dbraw/zinc/82/07/22/1406820722.db2.gz IUBSOAMQGXWZPI-IBGZPJMESA-N 2 0 386.565 3.316 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054920545 1406851210 /nfs/dbraw/zinc/85/12/10/1406851210.db2.gz HDIHJERHKYMQFK-QHCPKHFHSA-N 2 0 394.563 3.255 20 0 GGADRP C[NH+](C)CCCNC(=S)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000055003932 1406867688 /nfs/dbraw/zinc/86/76/88/1406867688.db2.gz IZWQBVZRDVNVIP-UHFFFAOYSA-N 2 0 376.614 3.367 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000007241783 1398638190 /nfs/dbraw/zinc/63/81/90/1398638190.db2.gz FZIPBWQDZXENID-WOJBJXKFSA-N 2 0 384.568 3.279 20 0 GGADRP c1ccc(CN2CC[NH+](CCCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022877048 1399512770 /nfs/dbraw/zinc/51/27/70/1399512770.db2.gz KLMPDULPLRUXMT-UHFFFAOYSA-N 2 0 392.591 3.012 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000029691234 1400337100 /nfs/dbraw/zinc/33/71/00/1400337100.db2.gz HCZNBJCPXWJTMC-QGZVFWFLSA-N 2 0 396.535 3.005 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H]3CCc4ccccc43)cc2)CC1 ZINC000029807516 1400356032 /nfs/dbraw/zinc/35/60/32/1400356032.db2.gz CNNXNWNNFHMPGJ-QHCPKHFHSA-N 2 0 392.547 3.386 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000056156196 1407232985 /nfs/dbraw/zinc/23/29/85/1407232985.db2.gz POZDMRIDZPBEAF-SJORKVTESA-N 2 0 388.556 3.163 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC(=O)NCc2ccccc2)c1 ZINC000056184819 1407244893 /nfs/dbraw/zinc/24/48/93/1407244893.db2.gz OTZLHKOPTORXSP-GOSISDBHSA-N 2 0 396.535 3.033 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000056184853 1407245318 /nfs/dbraw/zinc/24/53/18/1407245318.db2.gz UZLNNMHNRNDQPY-KRWDZBQOSA-N 2 0 388.556 3.165 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000056342122 1407305404 /nfs/dbraw/zinc/30/54/04/1407305404.db2.gz SXHBRKIYRMJUOV-JOCHJYFZSA-N 2 0 398.526 3.392 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043137216 1403713998 /nfs/dbraw/zinc/71/39/98/1403713998.db2.gz XUVDKMUOLSHENU-MOPGFXCFSA-N 2 0 376.545 3.370 20 0 GGADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043143919 1403717688 /nfs/dbraw/zinc/71/76/88/1403717688.db2.gz SOVPCVZABDYHAV-IBGZPJMESA-N 2 0 388.581 3.167 20 0 GGADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043143921 1403717731 /nfs/dbraw/zinc/71/77/31/1403717731.db2.gz SOVPCVZABDYHAV-LJQANCHMSA-N 2 0 388.581 3.167 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144392 1403717947 /nfs/dbraw/zinc/71/79/47/1403717947.db2.gz PBXIOXQMLUTHST-KSZLIROESA-N 2 0 380.602 3.408 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000043167314 1403723713 /nfs/dbraw/zinc/72/37/13/1403723713.db2.gz VLEGFMJZVHTVAN-MOPGFXCFSA-N 2 0 376.545 3.228 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000043179313 1403726475 /nfs/dbraw/zinc/72/64/75/1403726475.db2.gz XBWCMCKFJBMDEE-UHFFFAOYSA-N 2 0 390.572 3.079 20 0 GGADRP C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000056523054 1407352732 /nfs/dbraw/zinc/35/27/32/1407352732.db2.gz CGBMZKISWQZQTA-KKHYBRAUSA-N 2 0 376.541 3.132 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043240212 1403732536 /nfs/dbraw/zinc/73/25/36/1403732536.db2.gz DFTIANFGXHAHBB-JOCHJYFZSA-N 2 0 380.536 3.034 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043240215 1403732549 /nfs/dbraw/zinc/73/25/49/1403732549.db2.gz DFTIANFGXHAHBB-QFIPXVFZSA-N 2 0 380.536 3.034 20 0 GGADRP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000056524438 1407353074 /nfs/dbraw/zinc/35/30/74/1407353074.db2.gz HRJGRIQPMOYAFQ-QFIPXVFZSA-N 2 0 375.557 3.172 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043564691 1403785423 /nfs/dbraw/zinc/78/54/23/1403785423.db2.gz FQKKTEVXUXGHLL-LJQANCHMSA-N 2 0 395.016 3.253 20 0 GGADRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)C ZINC000043799686 1403819535 /nfs/dbraw/zinc/81/95/35/1403819535.db2.gz QVVDEJTXLLVTLG-QFIPXVFZSA-N 2 0 399.583 3.259 20 0 GGADRP Cc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1N1CC[NH+](C)CC1 ZINC000043876829 1403839845 /nfs/dbraw/zinc/83/98/45/1403839845.db2.gz OZBPEQOAIVVNFM-UHFFFAOYSA-N 2 0 395.551 3.130 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=S)NCCC[NH+](C)C)C1 ZINC000044186217 1403897025 /nfs/dbraw/zinc/89/70/25/1403897025.db2.gz DRNZZJGYGLVSPI-HDICACEKSA-N 2 0 376.614 3.080 20 0 GGADRP C[N@H+](CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000045027485 1404039618 /nfs/dbraw/zinc/03/96/18/1404039618.db2.gz WLWRXOWGPWYNQJ-UHFFFAOYSA-N 2 0 394.563 3.472 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045032682 1404040198 /nfs/dbraw/zinc/04/01/98/1404040198.db2.gz XFQSFYGHCHYGEH-UHFFFAOYSA-N 2 0 392.547 3.009 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000045122488 1404057793 /nfs/dbraw/zinc/05/77/93/1404057793.db2.gz SJRAUMLFNMIZPF-UHFFFAOYSA-N 2 0 386.584 3.381 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045190543 1404071609 /nfs/dbraw/zinc/07/16/09/1404071609.db2.gz FSWMDHRPBSFTKM-UHFFFAOYSA-N 2 0 384.568 3.442 20 0 GGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000045463674 1404126859 /nfs/dbraw/zinc/12/68/59/1404126859.db2.gz WGGUYPSBGCHONU-UHFFFAOYSA-N 2 0 386.584 3.333 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)CC(C)C ZINC000045537919 1404141684 /nfs/dbraw/zinc/14/16/84/1404141684.db2.gz OBBUIIPGRHLVAH-OAQYLSRUSA-N 2 0 389.588 3.102 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045543529 1404143698 /nfs/dbraw/zinc/14/36/98/1404143698.db2.gz JCRAURDAVWSHRN-VQIMIIECSA-N 2 0 386.565 3.097 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1 ZINC000045778503 1404201422 /nfs/dbraw/zinc/20/14/22/1404201422.db2.gz LRJFLMBARUVKDZ-STZQEDGTSA-N 2 0 384.568 3.487 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000045788597 1404205647 /nfs/dbraw/zinc/20/56/47/1404205647.db2.gz SOOFBYMRXKPRSL-STZQEDGTSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000045983943 1404262048 /nfs/dbraw/zinc/26/20/48/1404262048.db2.gz MEIBZUZGELIXOL-IBGZPJMESA-N 2 0 387.572 3.072 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000046926775 1404637441 /nfs/dbraw/zinc/63/74/41/1404637441.db2.gz HYFKFURAQWJVEJ-UHFFFAOYSA-N 2 0 380.536 3.166 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000046933873 1404641248 /nfs/dbraw/zinc/64/12/48/1404641248.db2.gz YNSPDALYGSNNGI-UHFFFAOYSA-N 2 0 384.524 3.121 20 0 GGADRP COc1cccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000047302358 1404795825 /nfs/dbraw/zinc/79/58/25/1404795825.db2.gz ODBBIVWKRRKOAF-QHCPKHFHSA-N 2 0 395.547 3.326 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000047366943 1404817577 /nfs/dbraw/zinc/81/75/77/1404817577.db2.gz LCUNCJLYROIOKT-UHFFFAOYSA-N 2 0 387.572 3.085 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047777403 1404938618 /nfs/dbraw/zinc/93/86/18/1404938618.db2.gz IHOFJVZONURYCP-RTWAWAEBSA-N 2 0 396.535 3.380 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000047777773 1404939936 /nfs/dbraw/zinc/93/99/36/1404939936.db2.gz DXVDOABXPSVFDG-HXUWFJFHSA-N 2 0 384.524 3.368 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047871731 1404979139 /nfs/dbraw/zinc/97/91/39/1404979139.db2.gz CFGVSPKELVLMHZ-OAQYLSRUSA-N 2 0 396.535 3.164 20 0 GGADRP COc1cccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000047883624 1404982629 /nfs/dbraw/zinc/98/26/29/1404982629.db2.gz OWHGNGUWZHTAFS-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000047882920 1404982952 /nfs/dbraw/zinc/98/29/52/1404982952.db2.gz AROLMOBYAYORHM-WIYYLYMNSA-N 2 0 396.535 3.163 20 0 GGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047886303 1404984554 /nfs/dbraw/zinc/98/45/54/1404984554.db2.gz KDSRNQCXLDZEQO-UHFFFAOYSA-N 2 0 380.536 3.309 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000047929659 1405001393 /nfs/dbraw/zinc/00/13/93/1405001393.db2.gz BYMHUAVFLQJJQI-QHCPKHFHSA-N 2 0 396.579 3.499 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000047978918 1405014292 /nfs/dbraw/zinc/01/42/92/1405014292.db2.gz FLUXGQJXULDAJC-OALUTQOASA-N 2 0 386.584 3.448 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000047978763 1405014355 /nfs/dbraw/zinc/01/43/55/1405014355.db2.gz CGJIJMIYYOWWMP-QHCPKHFHSA-N 2 0 387.568 3.316 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000047979887 1405014603 /nfs/dbraw/zinc/01/46/03/1405014603.db2.gz WMTWHRXRAZZCJE-UHFFFAOYSA-N 2 0 378.948 3.088 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000048394996 1405177319 /nfs/dbraw/zinc/17/73/19/1405177319.db2.gz IRAFVQIHSOVHCA-SFHVURJKSA-N 2 0 384.568 3.345 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000048394988 1405177451 /nfs/dbraw/zinc/17/74/51/1405177451.db2.gz TXHLGHWAIKOBSU-UHFFFAOYSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000048394817 1405177714 /nfs/dbraw/zinc/17/77/14/1405177714.db2.gz RFTKCUQZYINACE-GOSISDBHSA-N 2 0 384.568 3.487 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048394990 1405177751 /nfs/dbraw/zinc/17/77/51/1405177751.db2.gz GXJSNXYSCQCGEI-GOSISDBHSA-N 2 0 384.568 3.487 20 0 GGADRP O[C@H](COCc1ccccc1F)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564880 1405226416 /nfs/dbraw/zinc/22/64/16/1405226416.db2.gz OBRQCQLTWOQDCT-NRFANRHFSA-N 2 0 378.532 3.291 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000048711037 1405264819 /nfs/dbraw/zinc/26/48/19/1405264819.db2.gz TVEFAYVXXURAHW-UHFFFAOYSA-N 2 0 389.975 3.258 20 0 GGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000048749258 1405280927 /nfs/dbraw/zinc/28/09/27/1405280927.db2.gz CITDZAXBPFJESW-QGZVFWFLSA-N 2 0 384.524 3.070 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)cc1OC ZINC000048748106 1405281600 /nfs/dbraw/zinc/28/16/00/1405281600.db2.gz XVAPHGVOOBXGFZ-UHFFFAOYSA-N 2 0 388.508 3.420 20 0 GGADRP CC[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000049164748 1405347446 /nfs/dbraw/zinc/34/74/46/1405347446.db2.gz LGOBCNGCRVSLIM-QHCPKHFHSA-N 2 0 394.563 3.384 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000049798345 1405419805 /nfs/dbraw/zinc/41/98/05/1405419805.db2.gz LOJFKYCFLHBQEX-JOCHJYFZSA-N 2 0 398.526 3.346 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000049798344 1405420938 /nfs/dbraw/zinc/42/09/38/1405420938.db2.gz LOJFKYCFLHBQEX-QFIPXVFZSA-N 2 0 398.526 3.346 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC000050025730 1405454004 /nfs/dbraw/zinc/45/40/04/1405454004.db2.gz MZTICJGATXUBOC-FQEVSTJZSA-N 2 0 375.944 3.184 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC000050025731 1405454512 /nfs/dbraw/zinc/45/45/12/1405454512.db2.gz MZTICJGATXUBOC-HXUWFJFHSA-N 2 0 375.944 3.184 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050137740 1405496538 /nfs/dbraw/zinc/49/65/38/1405496538.db2.gz MXNKTZUIJKKYJQ-SFHVURJKSA-N 2 0 392.613 3.476 20 0 GGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000050137174 1405496661 /nfs/dbraw/zinc/49/66/61/1405496661.db2.gz MRJYSCLUPIFHBW-QGZVFWFLSA-N 2 0 378.586 3.134 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050136865 1405497709 /nfs/dbraw/zinc/49/77/09/1405497709.db2.gz HNHQGEJQSSYMQI-LJQANCHMSA-N 2 0 392.613 3.333 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189708 1405741172 /nfs/dbraw/zinc/74/11/72/1405741172.db2.gz OJLXRUNBQQYIRS-UHFFFAOYSA-N 2 0 381.568 3.137 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000176281782 1428219100 /nfs/dbraw/zinc/21/91/00/1428219100.db2.gz MDSVOFJTEUXIBL-HNNXBMFYSA-N 2 0 397.947 3.350 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000052209312 1405985217 /nfs/dbraw/zinc/98/52/17/1405985217.db2.gz AHAWXQWWZKBPKU-UHFFFAOYSA-N 2 0 388.600 3.155 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000052210267 1405985461 /nfs/dbraw/zinc/98/54/61/1405985461.db2.gz HZHJWBZJAHBLPT-NRFANRHFSA-N 2 0 386.584 3.458 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000052521013 1406072262 /nfs/dbraw/zinc/07/22/62/1406072262.db2.gz PHMVSLFINBTYME-JOCHJYFZSA-N 2 0 384.568 3.386 20 0 GGADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc2ccc(Cl)cn12 ZINC000052713731 1406134631 /nfs/dbraw/zinc/13/46/31/1406134631.db2.gz AHMCTDXTUCPIQD-UHFFFAOYSA-N 2 0 388.943 3.436 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000056792164 1407435081 /nfs/dbraw/zinc/43/50/81/1407435081.db2.gz BPPRBONBSDZECK-LJQANCHMSA-N 2 0 376.545 3.180 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000056889860 1407465974 /nfs/dbraw/zinc/46/59/74/1407465974.db2.gz YNKGVKBSEKVJKA-UHFFFAOYSA-N 2 0 390.547 3.163 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccs1 ZINC000056937833 1407478712 /nfs/dbraw/zinc/47/87/12/1407478712.db2.gz PUUDSDIVJXKGBD-IAGOWNOFSA-N 2 0 378.517 3.092 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000056937856 1407478890 /nfs/dbraw/zinc/47/88/90/1407478890.db2.gz UQFDKUUADKYHKC-OALUTQOASA-N 2 0 388.487 3.158 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000056937860 1407478983 /nfs/dbraw/zinc/47/89/83/1407478983.db2.gz UQFDKUUADKYHKC-RTBURBONSA-N 2 0 388.487 3.158 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000056950316 1407482559 /nfs/dbraw/zinc/48/25/59/1407482559.db2.gz PLYMIBBMECSCOU-SFTDATJTSA-N 2 0 384.499 3.002 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000057043170 1407507560 /nfs/dbraw/zinc/50/75/60/1407507560.db2.gz FJTBBXAASGQFGT-OALUTQOASA-N 2 0 376.545 3.228 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057174359 1407544999 /nfs/dbraw/zinc/54/49/99/1407544999.db2.gz ULUZWAKMNOFOQK-QFIPXVFZSA-N 2 0 395.547 3.155 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000057177560 1407547327 /nfs/dbraw/zinc/54/73/27/1407547327.db2.gz ZCWAOLRMEDAJGY-JOCHJYFZSA-N 2 0 383.511 3.457 20 0 GGADRP O=C(C[NH+]1CCCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315399 1407586006 /nfs/dbraw/zinc/58/60/06/1407586006.db2.gz WGNGATAVZDHZRP-UHFFFAOYSA-N 2 0 378.520 3.043 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057817360 1407727345 /nfs/dbraw/zinc/72/73/45/1407727345.db2.gz MMBZCUFYVPSPFJ-IBGZPJMESA-N 2 0 392.638 3.049 20 0 GGADRP Cc1csc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc(=O)n12 ZINC000057843861 1407736400 /nfs/dbraw/zinc/73/64/00/1407736400.db2.gz MDXJEJPJRUWOTR-UHFFFAOYSA-N 2 0 396.560 3.408 20 0 GGADRP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888753 1407746931 /nfs/dbraw/zinc/74/69/31/1407746931.db2.gz OSOSNNHGEMJFQM-SFHVURJKSA-N 2 0 377.598 3.383 20 0 GGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)Nc1ccccc1 ZINC000057889417 1407747629 /nfs/dbraw/zinc/74/76/29/1407747629.db2.gz HVTJPKXORHIXJJ-UHFFFAOYSA-N 2 0 386.540 3.313 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1)c1ccccc1 ZINC000057914415 1407754554 /nfs/dbraw/zinc/75/45/54/1407754554.db2.gz MJUMXHLWBOHGMH-QHCPKHFHSA-N 2 0 395.547 3.469 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1 ZINC000058476517 1407834802 /nfs/dbraw/zinc/83/48/02/1407834802.db2.gz YHPCIZYAOWAIIS-UHFFFAOYSA-N 2 0 384.520 3.466 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058811116 1407884769 /nfs/dbraw/zinc/88/47/69/1407884769.db2.gz RUHFPQUDAWKFRW-HXUWFJFHSA-N 2 0 381.520 3.478 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)CC1 ZINC000060324394 1407953249 /nfs/dbraw/zinc/95/32/49/1407953249.db2.gz ICNVNGQOPRNRPP-UHFFFAOYSA-N 2 0 394.563 3.425 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000060368382 1407962885 /nfs/dbraw/zinc/96/28/85/1407962885.db2.gz FMXUJBNVTLNCEO-HDICACEKSA-N 2 0 390.524 3.005 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000060403814 1407971955 /nfs/dbraw/zinc/97/19/55/1407971955.db2.gz NLZZPVJENLDZIN-UHFFFAOYSA-N 2 0 375.557 3.354 20 0 GGADRP COc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1OC(C)C ZINC000060833606 1408039674 /nfs/dbraw/zinc/03/96/74/1408039674.db2.gz CUJHLGNKYFDENG-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP FC(F)Oc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060833550 1408039765 /nfs/dbraw/zinc/03/97/65/1408039765.db2.gz NJESCIVTRSYGMX-UHFFFAOYSA-N 2 0 375.463 3.195 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000061070379 1408073922 /nfs/dbraw/zinc/07/39/22/1408073922.db2.gz CSSHJIBBPPSTRP-RTWAWAEBSA-N 2 0 398.551 3.279 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000061070340 1408074130 /nfs/dbraw/zinc/07/41/30/1408074130.db2.gz XKWYQGKFYBYTDX-UHFFFAOYSA-N 2 0 389.547 3.300 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000061070302 1408074254 /nfs/dbraw/zinc/07/42/54/1408074254.db2.gz SNRWDBLTUGYPQD-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000061071015 1408074392 /nfs/dbraw/zinc/07/43/92/1408074392.db2.gz WALHLNTZRMPXNT-OALUTQOASA-N 2 0 395.547 3.318 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000061142108 1408082174 /nfs/dbraw/zinc/08/21/74/1408082174.db2.gz APVKMQQCWUWHJI-CEXWTWQISA-N 2 0 376.545 3.084 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000061553123 1408146097 /nfs/dbraw/zinc/14/60/97/1408146097.db2.gz LLMUSVMJTTWFPY-BGYRXZFFSA-N 2 0 386.584 3.450 20 0 GGADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000061735378 1408166958 /nfs/dbraw/zinc/16/69/58/1408166958.db2.gz BLPWVGOIWZSJCF-QFIPXVFZSA-N 2 0 390.568 3.161 20 0 GGADRP CC1CC[NH+](CCNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000061868648 1408186223 /nfs/dbraw/zinc/18/62/23/1408186223.db2.gz HZVXJRKZTDGWLC-HXUWFJFHSA-N 2 0 386.584 3.450 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccsc1 ZINC000176395799 1428298770 /nfs/dbraw/zinc/29/87/70/1428298770.db2.gz LUFLYFMJYBDLAG-QYZOEREBSA-N 2 0 378.586 3.399 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000062500075 1408269972 /nfs/dbraw/zinc/26/99/72/1408269972.db2.gz DPPQAKHDNOKXDB-UHFFFAOYSA-N 2 0 386.515 3.031 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000062528831 1408274410 /nfs/dbraw/zinc/27/44/10/1408274410.db2.gz OAPZMXURIYFHEX-UHFFFAOYSA-N 2 0 378.605 3.451 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)c2ccccc2)CC1 ZINC000062647619 1408287503 /nfs/dbraw/zinc/28/75/03/1408287503.db2.gz GFZBLENLKFZPPD-QFIPXVFZSA-N 2 0 384.568 3.197 20 0 GGADRP CC1(C)CC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000063142419 1408307061 /nfs/dbraw/zinc/30/70/61/1408307061.db2.gz HDAPLPLYSWOBTF-UHFFFAOYSA-N 2 0 388.625 3.424 20 0 GGADRP CC(C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000063147011 1408307327 /nfs/dbraw/zinc/30/73/27/1408307327.db2.gz YOLUWMACCRUOEG-NRFANRHFSA-N 2 0 388.625 3.236 20 0 GGADRP C[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000063148794 1408307996 /nfs/dbraw/zinc/30/79/96/1408307996.db2.gz HZMZKXMQDSEOKU-RBUKOAKNSA-N 2 0 388.625 3.236 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063148230 1408308035 /nfs/dbraw/zinc/30/80/35/1408308035.db2.gz BHUOKHMGPHANIJ-UHFFFAOYSA-N 2 0 396.604 3.377 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=S)NC3CC[NH+](C)CC3)cc2)C1 ZINC000063149185 1408309214 /nfs/dbraw/zinc/30/92/14/1408309214.db2.gz BQWZCKLOTFHZIO-ROUUACIJSA-N 2 0 388.625 3.223 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000063407688 1408350181 /nfs/dbraw/zinc/35/01/81/1408350181.db2.gz MACOVGHGUOPLJG-LJQANCHMSA-N 2 0 378.605 3.452 20 0 GGADRP Fc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000063551608 1408371631 /nfs/dbraw/zinc/37/16/31/1408371631.db2.gz UTFWKFOEBUASBN-UHFFFAOYSA-N 2 0 379.483 3.408 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063565772 1408372290 /nfs/dbraw/zinc/37/22/90/1408372290.db2.gz GOTIMQCWLMZKKV-HXUWFJFHSA-N 2 0 388.625 3.236 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+]2CCCC2)cc1 ZINC000064237504 1408519247 /nfs/dbraw/zinc/51/92/47/1408519247.db2.gz FSZJHUNUNLEUGY-QFIPXVFZSA-N 2 0 393.535 3.059 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251260 1408520732 /nfs/dbraw/zinc/52/07/32/1408520732.db2.gz VICLEKISMUPLSZ-UHFFFAOYSA-N 2 0 380.602 3.189 20 0 GGADRP C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000064337030 1408536466 /nfs/dbraw/zinc/53/64/66/1408536466.db2.gz ZEZIMWLUQOBFLP-HXUWFJFHSA-N 2 0 397.485 3.432 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000064644072 1408590175 /nfs/dbraw/zinc/59/01/75/1408590175.db2.gz PMYYTLFWESFLDT-SFHVURJKSA-N 2 0 392.613 3.380 20 0 GGADRP CN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000176490203 1428337658 /nfs/dbraw/zinc/33/76/58/1428337658.db2.gz QMQXOCMZILMMBC-JOCHJYFZSA-N 2 0 384.568 3.482 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000065441576 1408669413 /nfs/dbraw/zinc/66/94/13/1408669413.db2.gz MYAXHXFSBWHBJB-HXUWFJFHSA-N 2 0 386.584 3.448 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000065441888 1408669876 /nfs/dbraw/zinc/66/98/76/1408669876.db2.gz SNSYNXSJXNNSJZ-HXUWFJFHSA-N 2 0 394.563 3.397 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000065469424 1408673803 /nfs/dbraw/zinc/67/38/03/1408673803.db2.gz SYZFEXZYNIBKMV-QHCPKHFHSA-N 2 0 394.563 3.345 20 0 GGADRP COc1cccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[NH+](C)C)c1 ZINC000065470228 1408674103 /nfs/dbraw/zinc/67/41/03/1408674103.db2.gz XQFYJCKWNVUTEL-VXKWHMMOSA-N 2 0 398.551 3.208 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000065475560 1408675063 /nfs/dbraw/zinc/67/50/63/1408675063.db2.gz JWFMFFOEMQZGCC-BBWFWOEESA-N 2 0 380.602 3.407 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176493061 1428339039 /nfs/dbraw/zinc/33/90/39/1428339039.db2.gz VXJHBUUMOHLJCL-UHFFFAOYSA-N 2 0 376.589 3.443 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065704354 1408715077 /nfs/dbraw/zinc/71/50/77/1408715077.db2.gz OSPLSARLIXFNRK-SFHVURJKSA-N 2 0 383.005 3.062 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000065901146 1408750752 /nfs/dbraw/zinc/75/07/52/1408750752.db2.gz FBNQSYLEYRTEGV-IBGZPJMESA-N 2 0 375.532 3.274 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000066175191 1408786944 /nfs/dbraw/zinc/78/69/44/1408786944.db2.gz XGEDTLXXCLVPEO-GOSISDBHSA-N 2 0 378.586 3.401 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000066178615 1408787553 /nfs/dbraw/zinc/78/75/53/1408787553.db2.gz IRBSYHWWCCCIET-UGKGYDQZSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000066178614 1408787702 /nfs/dbraw/zinc/78/77/02/1408787702.db2.gz IRBSYHWWCCCIET-KNQAVFIVSA-N 2 0 384.568 3.298 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000066243905 1408795153 /nfs/dbraw/zinc/79/51/53/1408795153.db2.gz UZALMEYKOVHZLT-UHFFFAOYSA-N 2 0 386.565 3.325 20 0 GGADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000066922512 1408952879 /nfs/dbraw/zinc/95/28/79/1408952879.db2.gz ZQTDEAYTWQTRDG-QHCPKHFHSA-N 2 0 392.547 3.037 20 0 GGADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000066922513 1408952977 /nfs/dbraw/zinc/95/29/77/1408952977.db2.gz ZQTDEAYTWQTRDG-HSZRJFAPSA-N 2 0 392.547 3.037 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960600 1408963743 /nfs/dbraw/zinc/96/37/43/1408963743.db2.gz PEGFXNXHBLDOFU-GOSISDBHSA-N 2 0 377.548 3.317 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(Br)cs2)c1 ZINC000066994691 1408974550 /nfs/dbraw/zinc/97/45/50/1408974550.db2.gz JLCOSUCRDRPQLP-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP COc1cccc2cc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)oc21 ZINC000066994651 1408974703 /nfs/dbraw/zinc/97/47/03/1408974703.db2.gz JSQXSYYOCWHMBX-UHFFFAOYSA-N 2 0 381.476 3.023 20 0 GGADRP Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000066993458 1408974875 /nfs/dbraw/zinc/97/48/75/1408974875.db2.gz NVWDNXRZAMEVLB-UHFFFAOYSA-N 2 0 395.547 3.330 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000067003405 1408977801 /nfs/dbraw/zinc/97/78/01/1408977801.db2.gz ORBRTKJJAQNMGZ-HZPDHXFCSA-N 2 0 378.542 3.326 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000067003312 1408977899 /nfs/dbraw/zinc/97/78/99/1408977899.db2.gz SJBDAOBNXAEFDX-VQTJNVASSA-N 2 0 384.524 3.327 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 ZINC000067188315 1409035629 /nfs/dbraw/zinc/03/56/29/1409035629.db2.gz PWKHXJZMACQIEE-OAHLLOKOSA-N 2 0 393.938 3.089 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000067189307 1409036570 /nfs/dbraw/zinc/03/65/70/1409036570.db2.gz XTIOPUHBOWJPSL-QZTJIDSGSA-N 2 0 384.568 3.260 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000067222664 1409046744 /nfs/dbraw/zinc/04/67/44/1409046744.db2.gz FMUOVSMZICLRGN-QGZVFWFLSA-N 2 0 384.524 3.070 20 0 GGADRP CC[NH+]1CCC(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067418743 1409111481 /nfs/dbraw/zinc/11/14/81/1409111481.db2.gz HKGFSTIOLROLNH-UHFFFAOYSA-N 2 0 386.584 3.272 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067667395 1409202331 /nfs/dbraw/zinc/20/23/31/1409202331.db2.gz LRXBVDSRSLPKGF-UHFFFAOYSA-N 2 0 395.473 3.007 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000067671462 1409203709 /nfs/dbraw/zinc/20/37/09/1409203709.db2.gz ZNZHMDHVTWBINL-IBGZPJMESA-N 2 0 397.563 3.486 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC000067671457 1409203724 /nfs/dbraw/zinc/20/37/24/1409203724.db2.gz WNTCRPAAWJFFSJ-INIZCTEOSA-N 2 0 383.964 3.253 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000067672511 1409203876 /nfs/dbraw/zinc/20/38/76/1409203876.db2.gz BTVISBWBLQFQER-UHFFFAOYSA-N 2 0 397.563 3.488 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC000067671456 1409203913 /nfs/dbraw/zinc/20/39/13/1409203913.db2.gz WNTCRPAAWJFFSJ-MRXNPFEDSA-N 2 0 383.964 3.253 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000067671625 1409203923 /nfs/dbraw/zinc/20/39/23/1409203923.db2.gz JHPWDEGTYAUAQJ-CYBMUJFWSA-N 2 0 393.425 3.005 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000067686983 1409206856 /nfs/dbraw/zinc/20/68/56/1409206856.db2.gz RLGFJZKHPMTPRZ-QFIPXVFZSA-N 2 0 386.584 3.448 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067735057 1409217287 /nfs/dbraw/zinc/21/72/87/1409217287.db2.gz PDHSSSDPICWFCX-OAQYLSRUSA-N 2 0 386.584 3.414 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000067772248 1409226549 /nfs/dbraw/zinc/22/65/49/1409226549.db2.gz BHHHFBJEECAGMO-UHFFFAOYSA-N 2 0 384.568 3.168 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000067773758 1409227506 /nfs/dbraw/zinc/22/75/06/1409227506.db2.gz JXHGJFPKEBFLJZ-JOCHJYFZSA-N 2 0 384.568 3.168 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cc2)CC1 ZINC000068131839 1409310482 /nfs/dbraw/zinc/31/04/82/1409310482.db2.gz JFXFWTCRDBSRSS-HSZRJFAPSA-N 2 0 398.595 3.308 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068218245 1409332821 /nfs/dbraw/zinc/33/28/21/1409332821.db2.gz RCRGHEUTBHIZAW-LJQANCHMSA-N 2 0 375.532 3.371 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000068564901 1409440165 /nfs/dbraw/zinc/44/01/65/1409440165.db2.gz MNHMMMJYUJEQKT-OAQYLSRUSA-N 2 0 386.515 3.202 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000068565578 1409440768 /nfs/dbraw/zinc/44/07/68/1409440768.db2.gz IUDDUEPEOSNVFA-UHFFFAOYSA-N 2 0 380.964 3.286 20 0 GGADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069030431 1409547394 /nfs/dbraw/zinc/54/73/94/1409547394.db2.gz IJMFSFODRPEPJF-UHFFFAOYSA-N 2 0 386.492 3.154 20 0 GGADRP COc1cccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+](C)C)c1 ZINC000069180145 1409582288 /nfs/dbraw/zinc/58/22/88/1409582288.db2.gz DNOFPDQXEHCBKZ-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC([NH2+]C(C)C)CC3)c(C)c2)CC1 ZINC000069215853 1409588721 /nfs/dbraw/zinc/58/87/21/1409588721.db2.gz AXYCUCYERNOQFP-UHFFFAOYSA-N 2 0 387.572 3.131 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000069467161 1409639272 /nfs/dbraw/zinc/63/92/72/1409639272.db2.gz XEQMOPVIAMGRKC-QFIPXVFZSA-N 2 0 387.568 3.288 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000069467156 1409639432 /nfs/dbraw/zinc/63/94/32/1409639432.db2.gz XEQMOPVIAMGRKC-JOCHJYFZSA-N 2 0 387.568 3.288 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000069661944 1409672218 /nfs/dbraw/zinc/67/22/18/1409672218.db2.gz RHYOYHSCADPPBI-UHFFFAOYSA-N 2 0 390.597 3.226 20 0 GGADRP COc1cccc2cc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)oc21 ZINC000069785331 1409698212 /nfs/dbraw/zinc/69/82/12/1409698212.db2.gz PZPXUYLTJHSVFB-UHFFFAOYSA-N 2 0 379.504 3.479 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000069822449 1409708845 /nfs/dbraw/zinc/70/88/45/1409708845.db2.gz UTUPRXYHSCBDLJ-GOSISDBHSA-N 2 0 378.586 3.086 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000069833276 1409711924 /nfs/dbraw/zinc/71/19/24/1409711924.db2.gz HCCOYCVPZKKTHX-QZTJIDSGSA-N 2 0 382.504 3.357 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000070870202 1409794097 /nfs/dbraw/zinc/79/40/97/1409794097.db2.gz SWLHONIGNTVQAI-QGZVFWFLSA-N 2 0 397.519 3.416 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720260 1428432956 /nfs/dbraw/zinc/43/29/56/1428432956.db2.gz WAMHKOVIGILPIM-IFMALSPDSA-N 2 0 399.579 3.191 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000071925456 1409830890 /nfs/dbraw/zinc/83/08/90/1409830890.db2.gz SLJKMQBEPZKSRO-JOCHJYFZSA-N 2 0 380.536 3.255 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000071925455 1409830959 /nfs/dbraw/zinc/83/09/59/1409830959.db2.gz SLJKMQBEPZKSRO-QFIPXVFZSA-N 2 0 380.536 3.255 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000072036119 1409839531 /nfs/dbraw/zinc/83/95/31/1409839531.db2.gz YKMOVAMQGFESCI-UHFFFAOYSA-N 2 0 386.584 3.320 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000072489279 1409849866 /nfs/dbraw/zinc/84/98/66/1409849866.db2.gz WACRXLVAJFZSPM-SFHVURJKSA-N 2 0 378.586 3.306 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000072905838 1409854956 /nfs/dbraw/zinc/85/49/56/1409854956.db2.gz RBOLUNPMWMCNBC-UHFFFAOYSA-N 2 0 377.598 3.104 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000072955548 1409855977 /nfs/dbraw/zinc/85/59/77/1409855977.db2.gz RKRBCBUFVYQXAF-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000072973099 1409856190 /nfs/dbraw/zinc/85/61/90/1409856190.db2.gz JYPIDSQXYXORDR-UHFFFAOYSA-N 2 0 377.598 3.151 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073536800 1409861944 /nfs/dbraw/zinc/86/19/44/1409861944.db2.gz VAZRXHJKXAFBRV-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000073619965 1409863342 /nfs/dbraw/zinc/86/33/42/1409863342.db2.gz KOQBFIOJGPJYRS-FQEVSTJZSA-N 2 0 386.584 3.333 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000073681130 1409864780 /nfs/dbraw/zinc/86/47/80/1409864780.db2.gz OXYLAQXJQSBUOQ-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000073811050 1409865813 /nfs/dbraw/zinc/86/58/13/1409865813.db2.gz REFQXFJIHDACJW-FSSWDIPSSA-N 2 0 384.568 3.338 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073874628 1409866490 /nfs/dbraw/zinc/86/64/90/1409866490.db2.gz SQPIPSSPKHLPRV-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073903288 1409867187 /nfs/dbraw/zinc/86/71/87/1409867187.db2.gz HIYDWIDBVYLGLN-VXKWHMMOSA-N 2 0 386.584 3.272 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073903290 1409867353 /nfs/dbraw/zinc/86/73/53/1409867353.db2.gz HIYDWIDBVYLGLN-FCHUYYIVSA-N 2 0 386.584 3.272 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000074103393 1409869054 /nfs/dbraw/zinc/86/90/54/1409869054.db2.gz YJAOJSKQWJGQPZ-YADHBBJMSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000074850589 1409877649 /nfs/dbraw/zinc/87/76/49/1409877649.db2.gz LBZMHKBRHFCGHD-SFTDATJTSA-N 2 0 378.605 3.116 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000074858079 1409878175 /nfs/dbraw/zinc/87/81/75/1409878175.db2.gz BDJZAKVZZKNAGU-QWFCFKBJSA-N 2 0 378.605 3.116 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074876231 1409878770 /nfs/dbraw/zinc/87/87/70/1409878770.db2.gz ULKHVRXDCWFDSQ-FGZHOGPDSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074891282 1409878810 /nfs/dbraw/zinc/87/88/10/1409878810.db2.gz JEPAYFNYGPWJCX-AZUAARDMSA-N 2 0 386.584 3.489 20 0 GGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074891285 1409878879 /nfs/dbraw/zinc/87/88/79/1409878879.db2.gz JEPAYFNYGPWJCX-UYAOXDASSA-N 2 0 386.584 3.489 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CCC[NH2+]4)cc3)CC2)c1 ZINC000075631391 1409882141 /nfs/dbraw/zinc/88/21/41/1409882141.db2.gz HFOGSVVQWRKLEV-QFIPXVFZSA-N 2 0 378.520 3.008 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)N1CC[NH+](C)CC1 ZINC000075763238 1409883089 /nfs/dbraw/zinc/88/30/89/1409883089.db2.gz OSTFUCNDMZFVHN-IBGZPJMESA-N 2 0 376.545 3.311 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000075834669 1409883217 /nfs/dbraw/zinc/88/32/17/1409883217.db2.gz VQBWOUQOHSPAHT-FQEVSTJZSA-N 2 0 382.556 3.318 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000075771906 1409883328 /nfs/dbraw/zinc/88/33/28/1409883328.db2.gz MXDZXIYVTMUYFO-UHFFFAOYSA-N 2 0 380.536 3.446 20 0 GGADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC000075944254 1409884042 /nfs/dbraw/zinc/88/40/42/1409884042.db2.gz UCWUGKLECIWDLH-HXUWFJFHSA-N 2 0 375.463 3.366 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000075963886 1409884302 /nfs/dbraw/zinc/88/43/02/1409884302.db2.gz MWXMBAQUBQLQLZ-SFHVURJKSA-N 2 0 375.582 3.090 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000076331107 1409887749 /nfs/dbraw/zinc/88/77/49/1409887749.db2.gz MBDAAIZMSZPKJN-UHFFFAOYSA-N 2 0 376.504 3.283 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000076515065 1409889280 /nfs/dbraw/zinc/88/92/80/1409889280.db2.gz VOOLZWFRSDXLRR-QFIPXVFZSA-N 2 0 386.584 3.448 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000076577703 1409889723 /nfs/dbraw/zinc/88/97/23/1409889723.db2.gz HMVSHRNCRPHZEJ-JOCHJYFZSA-N 2 0 384.568 3.298 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc2ccccc12 ZINC000076588199 1409890027 /nfs/dbraw/zinc/89/00/27/1409890027.db2.gz LHAGEQVJOCLLSF-HXUWFJFHSA-N 2 0 382.552 3.042 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000077763972 1409899924 /nfs/dbraw/zinc/89/99/24/1409899924.db2.gz ORKBTUQTXDBAPG-SIKLNZKXSA-N 2 0 384.568 3.441 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077800784 1409901585 /nfs/dbraw/zinc/90/15/85/1409901585.db2.gz YQOMDQJUFRQOTO-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000078434345 1409917173 /nfs/dbraw/zinc/91/71/73/1409917173.db2.gz HHIIMIUDLNRVHI-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000078545995 1409924648 /nfs/dbraw/zinc/92/46/48/1409924648.db2.gz LYHYMSABSVGOSM-JOCHJYFZSA-N 2 0 380.536 3.385 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000078714516 1409932831 /nfs/dbraw/zinc/93/28/31/1409932831.db2.gz QEKKYRFRHFWYEB-GHTZIAJQSA-N 2 0 375.557 3.459 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000079168469 1409960791 /nfs/dbraw/zinc/96/07/91/1409960791.db2.gz AZHFXDDNUSWINJ-QFIPXVFZSA-N 2 0 384.568 3.229 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000079170464 1409961231 /nfs/dbraw/zinc/96/12/31/1409961231.db2.gz JUJFOFMUBAZLIA-RXVVDRJESA-N 2 0 384.568 3.202 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000079169041 1409961306 /nfs/dbraw/zinc/96/13/06/1409961306.db2.gz VYBUKTNNPDUIOM-NQIIRXRSSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000079170567 1409961713 /nfs/dbraw/zinc/96/17/13/1409961713.db2.gz FLUQXKUYRNDQFG-MOPGFXCFSA-N 2 0 384.568 3.202 20 0 GGADRP CC[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079256841 1409963383 /nfs/dbraw/zinc/96/33/83/1409963383.db2.gz SUZSTDZQPCXRJP-OAQYLSRUSA-N 2 0 384.568 3.093 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079224239 1409964249 /nfs/dbraw/zinc/96/42/49/1409964249.db2.gz WLDJTNOOUVRZKL-ZWKOTPCHSA-N 2 0 376.570 3.155 20 0 GGADRP CC[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079256950 1409964461 /nfs/dbraw/zinc/96/44/61/1409964461.db2.gz PAAHGOOYIYTLNS-YADHBBJMSA-N 2 0 384.568 3.093 20 0 GGADRP COC1CC[NH+](CC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000079382953 1409973902 /nfs/dbraw/zinc/97/39/02/1409973902.db2.gz HZGVTYDVPPTQCS-UHFFFAOYSA-N 2 0 380.536 3.473 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079493658 1409978433 /nfs/dbraw/zinc/97/84/33/1409978433.db2.gz ZHAVRORVLOPIGB-OAQYLSRUSA-N 2 0 384.568 3.093 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079551699 1409981306 /nfs/dbraw/zinc/98/13/06/1409981306.db2.gz BURWDOPYJAAQSW-RBUKOAKNSA-N 2 0 378.586 3.228 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000079599528 1409981964 /nfs/dbraw/zinc/98/19/64/1409981964.db2.gz QBPVICJSMNNDOO-SFHVURJKSA-N 2 0 378.542 3.026 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000079653462 1409985947 /nfs/dbraw/zinc/98/59/47/1409985947.db2.gz KTCAVUPUIQZRME-PXNSSMCTSA-N 2 0 378.536 3.382 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079689978 1409986436 /nfs/dbraw/zinc/98/64/36/1409986436.db2.gz MUSUBCLBHSBHII-HXUWFJFHSA-N 2 0 386.584 3.115 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080064789 1409998978 /nfs/dbraw/zinc/99/89/78/1409998978.db2.gz JLEHVGQXXOWNEX-SIKLNZKXSA-N 2 0 386.584 3.459 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000080073005 1410000438 /nfs/dbraw/zinc/00/04/38/1410000438.db2.gz BYPKTMQDZLOLPV-ACBHZAAOSA-N 2 0 378.586 3.447 20 0 GGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000080212691 1410003700 /nfs/dbraw/zinc/00/37/00/1410003700.db2.gz RATAKORHSALFHO-UHFFFAOYSA-N 2 0 376.589 3.443 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000080657280 1410009393 /nfs/dbraw/zinc/00/93/93/1410009393.db2.gz ZWCNFVMCVMQIJJ-IRLDBZIGSA-N 2 0 384.568 3.197 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000081333735 1410017592 /nfs/dbraw/zinc/01/75/92/1410017592.db2.gz AHSHVLMUEYJLDV-PMACEKPBSA-N 2 0 375.532 3.228 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000081331644 1410017934 /nfs/dbraw/zinc/01/79/34/1410017934.db2.gz KKTHQIRFUUTJSM-LJQANCHMSA-N 2 0 375.582 3.039 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000081444250 1410020101 /nfs/dbraw/zinc/02/01/01/1410020101.db2.gz ARATVGKYVHIBIH-IBGZPJMESA-N 2 0 377.598 3.184 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000083027998 1410027192 /nfs/dbraw/zinc/02/71/92/1410027192.db2.gz ILWYDBQWRUSGLC-ZVDOUQERSA-N 2 0 375.557 3.075 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000085359191 1410039927 /nfs/dbraw/zinc/03/99/27/1410039927.db2.gz MDTKCECJKUJWSC-MRXNPFEDSA-N 2 0 378.536 3.066 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215298 1410052719 /nfs/dbraw/zinc/05/27/19/1410052719.db2.gz DBGSLCJLDNJWGY-CVDCTZTESA-N 2 0 379.552 3.193 20 0 GGADRP c1ccc(CC[NH+]2CCC(NCC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000089595004 1410055610 /nfs/dbraw/zinc/05/56/10/1410055610.db2.gz UXQZYSCNWIXUMR-UHFFFAOYSA-N 2 0 385.596 3.318 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000089935801 1410059087 /nfs/dbraw/zinc/05/90/87/1410059087.db2.gz ZUJFTXKNYDBQEN-YLJYHZDGSA-N 2 0 375.582 3.115 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000090038831 1410060950 /nfs/dbraw/zinc/06/09/50/1410060950.db2.gz QOUKNJGGZXYFGH-FQEVSTJZSA-N 2 0 375.463 3.497 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000090028550 1410061030 /nfs/dbraw/zinc/06/10/30/1410061030.db2.gz WWNOQTXQTKJUKU-HSZRJFAPSA-N 2 0 377.532 3.159 20 0 GGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525624 1410064104 /nfs/dbraw/zinc/06/41/04/1410064104.db2.gz UIZHQDBFPNUYRZ-BJKOFHAPSA-N 2 0 385.596 3.051 20 0 GGADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090525877 1410064157 /nfs/dbraw/zinc/06/41/57/1410064157.db2.gz FFXRWDDCGWFWEC-CDIGIKMISA-N 2 0 385.596 3.397 20 0 GGADRP COCc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525202 1410064340 /nfs/dbraw/zinc/06/43/40/1410064340.db2.gz CMEBJXYCSUCIHD-HBGVWJBISA-N 2 0 376.541 3.260 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526332 1410064974 /nfs/dbraw/zinc/06/49/74/1410064974.db2.gz FBNLTXAIYNSYTF-UXPWSPDFSA-N 2 0 376.541 3.431 20 0 GGADRP Cc1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000091456166 1410073869 /nfs/dbraw/zinc/07/38/69/1410073869.db2.gz LYVKNQPUDTUURV-UHFFFAOYSA-N 2 0 382.552 3.464 20 0 GGADRP Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)nc1 ZINC000091687048 1410075720 /nfs/dbraw/zinc/07/57/20/1410075720.db2.gz LSJIKUIQOVHBBV-UHFFFAOYSA-N 2 0 396.535 3.181 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000091934762 1410094562 /nfs/dbraw/zinc/09/45/62/1410094562.db2.gz DSLFFAFRYMKLNS-UHFFFAOYSA-N 2 0 391.556 3.458 20 0 GGADRP C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1n1ccnc1 ZINC000091960580 1410095402 /nfs/dbraw/zinc/09/54/02/1410095402.db2.gz WWVFRRZWVXXSFD-CVDCTZTESA-N 2 0 381.568 3.497 20 0 GGADRP Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092011474 1410098143 /nfs/dbraw/zinc/09/81/43/1410098143.db2.gz PRLHEZIZJPKOSZ-RTWAWAEBSA-N 2 0 384.568 3.324 20 0 GGADRP O=C(CC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)N1CCCC1 ZINC000092057197 1410102933 /nfs/dbraw/zinc/10/29/33/1410102933.db2.gz MEDFCEBWBMEEPE-UHFFFAOYSA-N 2 0 399.579 3.386 20 0 GGADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092400061 1410150552 /nfs/dbraw/zinc/15/05/52/1410150552.db2.gz QHSSCPYOIXFYIG-UYAOXDASSA-N 2 0 375.557 3.144 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000092426281 1410156996 /nfs/dbraw/zinc/15/69/96/1410156996.db2.gz IERUNGLPHJSNSE-UHFFFAOYSA-N 2 0 389.515 3.488 20 0 GGADRP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092455522 1410159421 /nfs/dbraw/zinc/15/94/21/1410159421.db2.gz SLWTYACQSXQRSR-IBGZPJMESA-N 2 0 389.540 3.260 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000092513089 1410165562 /nfs/dbraw/zinc/16/55/62/1410165562.db2.gz JMCOQSBYZMHCBM-LJQANCHMSA-N 2 0 391.556 3.364 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000092567403 1410174069 /nfs/dbraw/zinc/17/40/69/1410174069.db2.gz AOINOOIKCQJOHX-TZJYRCSTSA-N 2 0 380.573 3.244 20 0 GGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587315 1410176549 /nfs/dbraw/zinc/17/65/49/1410176549.db2.gz XCQACOQSEWLDCH-IRXDYDNUSA-N 2 0 392.540 3.034 20 0 GGADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587545 1410176675 /nfs/dbraw/zinc/17/66/75/1410176675.db2.gz MOECTDQLYZLDDQ-ROUUACIJSA-N 2 0 376.541 3.415 20 0 GGADRP COCCCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587588 1410176930 /nfs/dbraw/zinc/17/69/30/1410176930.db2.gz FNJTYFHDZMGKAJ-WOJBJXKFSA-N 2 0 390.568 3.423 20 0 GGADRP CCOc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587543 1410177356 /nfs/dbraw/zinc/17/73/56/1410177356.db2.gz MOECTDQLYZLDDQ-HDICACEKSA-N 2 0 376.541 3.415 20 0 GGADRP COc1ccccc1-c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615741 1410180385 /nfs/dbraw/zinc/18/03/85/1410180385.db2.gz XTTAEYWHUKEWSK-UHFFFAOYSA-N 2 0 395.547 3.252 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000092615896 1410180466 /nfs/dbraw/zinc/18/04/66/1410180466.db2.gz XQXAJYIWZZPTLZ-UHFFFAOYSA-N 2 0 389.540 3.444 20 0 GGADRP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092708036 1410191923 /nfs/dbraw/zinc/19/19/23/1410191923.db2.gz LFJRYGWAYNMIQC-NRFANRHFSA-N 2 0 387.568 3.290 20 0 GGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000092811287 1410203154 /nfs/dbraw/zinc/20/31/54/1410203154.db2.gz CAFBKUICILYLRA-UHFFFAOYSA-N 2 0 384.568 3.213 20 0 GGADRP Cc1ccccc1CNC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821330 1410203856 /nfs/dbraw/zinc/20/38/56/1410203856.db2.gz LHUUUPUFYUBJES-UHFFFAOYSA-N 2 0 380.536 3.245 20 0 GGADRP C[C@@H](NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821463 1410204009 /nfs/dbraw/zinc/20/40/09/1410204009.db2.gz HLKHIQWABABLPX-LJQANCHMSA-N 2 0 380.536 3.497 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(N)c2ccccc2n1 ZINC000092821704 1410204131 /nfs/dbraw/zinc/20/41/31/1410204131.db2.gz WDPBFNOLGUURQF-UHFFFAOYSA-N 2 0 376.508 3.346 20 0 GGADRP C[C@H](NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821462 1410204495 /nfs/dbraw/zinc/20/44/95/1410204495.db2.gz HLKHIQWABABLPX-IBGZPJMESA-N 2 0 380.536 3.497 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000092938946 1410211369 /nfs/dbraw/zinc/21/13/69/1410211369.db2.gz YZBPFFLLMRGPHJ-UHFFFAOYSA-N 2 0 397.519 3.334 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000093066006 1410220218 /nfs/dbraw/zinc/22/02/18/1410220218.db2.gz IHAJBBJLJSMSJE-JOCHJYFZSA-N 2 0 380.536 3.497 20 0 GGADRP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OCC(C)C ZINC000093133388 1410223108 /nfs/dbraw/zinc/22/31/08/1410223108.db2.gz OMRSNECVVNEXMD-OAQYLSRUSA-N 2 0 389.584 3.332 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)C)C2)CC1 ZINC000093132625 1410223533 /nfs/dbraw/zinc/22/35/33/1410223533.db2.gz LRYYAUDTIZRNMW-QFIPXVFZSA-N 2 0 381.568 3.208 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4c(F)cccc4F)o3)C2)CC1 ZINC000093132895 1410223602 /nfs/dbraw/zinc/22/36/02/1410223602.db2.gz ZWVBVFILSYYRRD-INIZCTEOSA-N 2 0 375.463 3.437 20 0 GGADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093133166 1410223734 /nfs/dbraw/zinc/22/37/34/1410223734.db2.gz WHPGOCDZMWXACH-FQEVSTJZSA-N 2 0 375.557 3.086 20 0 GGADRP CCCCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093133099 1410224070 /nfs/dbraw/zinc/22/40/70/1410224070.db2.gz ZBVONHRKVDDZKB-OAQYLSRUSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000093132766 1410224354 /nfs/dbraw/zinc/22/43/54/1410224354.db2.gz NNXZQNGIDPXDRG-GOSISDBHSA-N 2 0 396.362 3.481 20 0 GGADRP CN(c1ccccc1C[N@H+](CCO)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000093389733 1410242460 /nfs/dbraw/zinc/24/24/60/1410242460.db2.gz SGWKDGKQZOXIPI-UHFFFAOYSA-N 2 0 381.564 3.254 20 0 GGADRP CN(c1ccccc1C[N@H+](C)CCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000093686676 1410260311 /nfs/dbraw/zinc/26/03/11/1410260311.db2.gz CRHJGSRQLGCNKS-UHFFFAOYSA-N 2 0 375.557 3.381 20 0 GGADRP CCOc1c(OC)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735165 1410261540 /nfs/dbraw/zinc/26/15/40/1410261540.db2.gz JURVCNAOGQNKHR-UHFFFAOYSA-N 2 0 392.540 3.179 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735194 1410261965 /nfs/dbraw/zinc/26/19/65/1410261965.db2.gz LUSKPEOVSKZHMV-UHFFFAOYSA-N 2 0 384.524 3.162 20 0 GGADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC(F)F ZINC000093735058 1410262152 /nfs/dbraw/zinc/26/21/52/1410262152.db2.gz XTSKKJYSZHSUMP-UHFFFAOYSA-N 2 0 384.467 3.373 20 0 GGADRP CN(c1ccccc1C[NH+]1CCC(N2CCCCC2=O)CC1)C1CC[NH+](C)CC1 ZINC000093741669 1410262554 /nfs/dbraw/zinc/26/25/54/1410262554.db2.gz TXHKTYKCDWCTEM-UHFFFAOYSA-N 2 0 398.595 3.194 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000093842029 1410273937 /nfs/dbraw/zinc/27/39/37/1410273937.db2.gz LJHVJFUXZOQOCD-JOCHJYFZSA-N 2 0 376.541 3.177 20 0 GGADRP CCOC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844439 1410274389 /nfs/dbraw/zinc/27/43/89/1410274389.db2.gz VMFJDVBXXRTYOM-CALCHBBNSA-N 2 0 378.513 3.168 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844495 1410274600 /nfs/dbraw/zinc/27/46/00/1410274600.db2.gz KCRNICMDOWDHLT-ROUUACIJSA-N 2 0 376.589 3.256 20 0 GGADRP COc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844370 1410274616 /nfs/dbraw/zinc/27/46/16/1410274616.db2.gz SFGFWESNXLPDJP-HDICACEKSA-N 2 0 376.541 3.415 20 0 GGADRP Cc1cnc(NC[C@@H](c2ccco2)[NH+](C)C)nc1NC[C@H](c1ccco1)[NH+](C)C ZINC000176813000 1428476773 /nfs/dbraw/zinc/47/67/73/1428476773.db2.gz VIAACACQJGCTDN-SJORKVTESA-N 2 0 398.511 3.401 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000097357166 1410366306 /nfs/dbraw/zinc/36/63/06/1410366306.db2.gz RCHJRBHKETWSBC-GHTZIAJQSA-N 2 0 388.556 3.006 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000098033790 1410399307 /nfs/dbraw/zinc/39/93/07/1410399307.db2.gz AICTUKSHKDOZTJ-LJQANCHMSA-N 2 0 380.964 3.242 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nc2ccccc2s1 ZINC000101602690 1410475201 /nfs/dbraw/zinc/47/52/01/1410475201.db2.gz KANFOZJYJSDSNE-OAHLLOKOSA-N 2 0 375.542 3.176 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000101763223 1410500428 /nfs/dbraw/zinc/50/04/28/1410500428.db2.gz VPQXYOOMJYENCS-IAGOWNOFSA-N 2 0 390.553 3.389 20 0 GGADRP CN(C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccco1 ZINC000101770779 1410501108 /nfs/dbraw/zinc/50/11/08/1410501108.db2.gz FOGAEWKTOCNJPV-OAQYLSRUSA-N 2 0 398.551 3.232 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+]2CCCC2)o1 ZINC000102039164 1410549128 /nfs/dbraw/zinc/54/91/28/1410549128.db2.gz AOSJESCDMMKGEL-LJQANCHMSA-N 2 0 376.545 3.337 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176848639 1428499646 /nfs/dbraw/zinc/49/96/46/1428499646.db2.gz NQQUOHDYKFKVIF-QFIPXVFZSA-N 2 0 387.568 3.048 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422171 1410624866 /nfs/dbraw/zinc/62/48/66/1410624866.db2.gz MNUTWZKAQKDARD-UHFFFAOYSA-N 2 0 384.351 3.386 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102421399 1410626159 /nfs/dbraw/zinc/62/61/59/1410626159.db2.gz PZADADMRDJOZQA-UHFFFAOYSA-N 2 0 384.351 3.385 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000102559530 1410651061 /nfs/dbraw/zinc/65/10/61/1410651061.db2.gz IGJHRHXQDRFTHI-QGZVFWFLSA-N 2 0 377.529 3.133 20 0 GGADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000102935466 1410809670 /nfs/dbraw/zinc/80/96/70/1410809670.db2.gz AFPFPYBFLUEECB-WMZOPIPTSA-N 2 0 397.567 3.386 20 0 GGADRP COc1cccc(CNC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000103143100 1410831435 /nfs/dbraw/zinc/83/14/35/1410831435.db2.gz XYBDRTCTOMORKH-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000103143164 1410831456 /nfs/dbraw/zinc/83/14/56/1410831456.db2.gz PIQVBNTUCUTVNT-UHFFFAOYSA-N 2 0 382.533 3.100 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000103143172 1410831506 /nfs/dbraw/zinc/83/15/06/1410831506.db2.gz OCLLCVXJDRZUPL-UHFFFAOYSA-N 2 0 391.515 3.127 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000103185060 1410835396 /nfs/dbraw/zinc/83/53/96/1410835396.db2.gz PNEUTKLYAKJIFI-IBGZPJMESA-N 2 0 386.584 3.159 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000103185063 1410835456 /nfs/dbraw/zinc/83/54/56/1410835456.db2.gz PNEUTKLYAKJIFI-LJQANCHMSA-N 2 0 386.584 3.159 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103247304 1410840617 /nfs/dbraw/zinc/84/06/17/1410840617.db2.gz MPKMAWNDAGSNQP-IRLDBZIGSA-N 2 0 386.584 3.115 20 0 GGADRP C[NH+]1CCC(CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000103291053 1410843323 /nfs/dbraw/zinc/84/33/23/1410843323.db2.gz WTEDJUSMTCDEQL-UHFFFAOYSA-N 2 0 390.597 3.131 20 0 GGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000103296540 1410844045 /nfs/dbraw/zinc/84/40/45/1410844045.db2.gz KNYCWFCUYDIDKU-GOSISDBHSA-N 2 0 378.605 3.449 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000103511610 1410865092 /nfs/dbraw/zinc/86/50/92/1410865092.db2.gz NYJVCFDORLMMKE-IBGZPJMESA-N 2 0 386.584 3.402 20 0 GGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103534797 1410866621 /nfs/dbraw/zinc/86/66/21/1410866621.db2.gz YMKDUZGUJSBTPI-SVFBPWRDSA-N 2 0 381.605 3.091 20 0 GGADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103534801 1410866656 /nfs/dbraw/zinc/86/66/56/1410866656.db2.gz YMKDUZGUJSBTPI-ZVDOUQERSA-N 2 0 381.605 3.091 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000103603098 1410868435 /nfs/dbraw/zinc/86/84/35/1410868435.db2.gz WMNRBJJZFJMDQN-HXUWFJFHSA-N 2 0 392.975 3.460 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000104272919 1410889976 /nfs/dbraw/zinc/88/99/76/1410889976.db2.gz ZYCKNDFJDOOWGW-HXUWFJFHSA-N 2 0 386.540 3.314 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000104349608 1410892989 /nfs/dbraw/zinc/89/29/89/1410892989.db2.gz HBEQAYRKWAJOCA-GOSISDBHSA-N 2 0 377.529 3.229 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000104532880 1410899137 /nfs/dbraw/zinc/89/91/37/1410899137.db2.gz TZEFEOWQAHKRLM-UHFFFAOYSA-N 2 0 386.521 3.122 20 0 GGADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000105077929 1411024904 /nfs/dbraw/zinc/02/49/04/1411024904.db2.gz OFLKRIZZMJMHRE-UTKZUKDTSA-N 2 0 388.556 3.004 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000105082385 1411026261 /nfs/dbraw/zinc/02/62/61/1411026261.db2.gz ZKEFAQHGMUHBSQ-IBGZPJMESA-N 2 0 380.964 3.364 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105121828 1411031577 /nfs/dbraw/zinc/03/15/77/1411031577.db2.gz LJLBGCQIXDHSEZ-KDURUIRLSA-N 2 0 386.584 3.306 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105121831 1411031633 /nfs/dbraw/zinc/03/16/33/1411031633.db2.gz LJLBGCQIXDHSEZ-OALUTQOASA-N 2 0 386.584 3.306 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105121871 1411031885 /nfs/dbraw/zinc/03/18/85/1411031885.db2.gz HKULTKGIDNPOGO-KDURUIRLSA-N 2 0 386.584 3.306 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCC1 ZINC000105209370 1411042190 /nfs/dbraw/zinc/04/21/90/1411042190.db2.gz VNJQLGRGZMYRIK-UYAOXDASSA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000105209288 1411042510 /nfs/dbraw/zinc/04/25/10/1411042510.db2.gz WJJNPNLCOPUBJS-RBUKOAKNSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)CN1CC[NH+](C)CC1 ZINC000105438954 1411066688 /nfs/dbraw/zinc/06/66/88/1411066688.db2.gz RVZCOHSTZCEKMI-IBGZPJMESA-N 2 0 385.527 3.378 20 0 GGADRP COc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000105465999 1411068605 /nfs/dbraw/zinc/06/86/05/1411068605.db2.gz CHJNGLDSXZCPAT-GOSISDBHSA-N 2 0 383.536 3.096 20 0 GGADRP COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000105463052 1411068978 /nfs/dbraw/zinc/06/89/78/1411068978.db2.gz SWBJAWOILOJUOB-INIZCTEOSA-N 2 0 387.499 3.446 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc12 ZINC000105462774 1411069411 /nfs/dbraw/zinc/06/94/11/1411069411.db2.gz PGZDUXJSCCZXCW-HNNXBMFYSA-N 2 0 396.514 3.018 20 0 GGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000105466338 1411070025 /nfs/dbraw/zinc/07/00/25/1411070025.db2.gz MOLGWIMJFPMFJC-QGZVFWFLSA-N 2 0 389.975 3.375 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OC ZINC000105477053 1411070630 /nfs/dbraw/zinc/07/06/30/1411070630.db2.gz DTTFRDCHSXEWNA-UHFFFAOYSA-N 2 0 383.964 3.255 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000105495588 1411072363 /nfs/dbraw/zinc/07/23/63/1411072363.db2.gz IKUDGSBQXXRVQC-UHFFFAOYSA-N 2 0 390.531 3.178 20 0 GGADRP c1c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000176984048 1428541035 /nfs/dbraw/zinc/54/10/35/1428541035.db2.gz IBGTVUNYOCLKJL-UHFFFAOYSA-N 2 0 378.520 3.495 20 0 GGADRP CNC(=O)c1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176985296 1428541236 /nfs/dbraw/zinc/54/12/36/1428541236.db2.gz CKQDUCCRGSCRIJ-UHFFFAOYSA-N 2 0 395.547 3.207 20 0 GGADRP COc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000176989975 1428543263 /nfs/dbraw/zinc/54/32/63/1428543263.db2.gz MONQJDGJFINEDS-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP COc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000106485590 1411223652 /nfs/dbraw/zinc/22/36/52/1411223652.db2.gz POLYHJSIASAXGD-GOSISDBHSA-N 2 0 383.536 3.096 20 0 GGADRP CCOc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000106485939 1411224149 /nfs/dbraw/zinc/22/41/49/1411224149.db2.gz VDEVMXVHJTTWOQ-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP COc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000106486443 1411224599 /nfs/dbraw/zinc/22/45/99/1411224599.db2.gz ZBKYWRXTSUAJFI-KRWDZBQOSA-N 2 0 389.565 3.061 20 0 GGADRP Cc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000106485245 1411224786 /nfs/dbraw/zinc/22/47/86/1411224786.db2.gz IOCADXOVGWBSHF-HXUWFJFHSA-N 2 0 382.552 3.003 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cc2)c1 ZINC000106486602 1411225808 /nfs/dbraw/zinc/22/58/08/1411225808.db2.gz TWCXDEHAQZEGDM-SFHVURJKSA-N 2 0 399.535 3.222 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106526879 1411233891 /nfs/dbraw/zinc/23/38/91/1411233891.db2.gz ZADCXGQHDDVRBX-OAQYLSRUSA-N 2 0 384.568 3.276 20 0 GGADRP CCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000107329965 1411361061 /nfs/dbraw/zinc/36/10/61/1411361061.db2.gz COPOIFNLXFJQAZ-UHFFFAOYSA-N 2 0 392.975 3.432 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)CC1 ZINC000107372006 1411366497 /nfs/dbraw/zinc/36/64/97/1411366497.db2.gz VWFUKPKQBRKMBJ-HSZRJFAPSA-N 2 0 392.547 3.151 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000107385358 1411369368 /nfs/dbraw/zinc/36/93/68/1411369368.db2.gz BKIXJDQBXDCFQR-UHFFFAOYSA-N 2 0 376.545 3.402 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000107386462 1411369540 /nfs/dbraw/zinc/36/95/40/1411369540.db2.gz NSTMAQRYBOSNHL-NRFANRHFSA-N 2 0 384.524 3.442 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000108414305 1411494779 /nfs/dbraw/zinc/49/47/79/1411494779.db2.gz RKSDPZLZTOOGRG-UHFFFAOYSA-N 2 0 378.536 3.021 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4o3)c2)C1 ZINC000108420676 1411495186 /nfs/dbraw/zinc/49/51/86/1411495186.db2.gz XHGKPMDMILTFIT-FQEVSTJZSA-N 2 0 377.488 3.420 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(F)c(F)c3)c2)C1 ZINC000108420928 1411495389 /nfs/dbraw/zinc/49/53/89/1411495389.db2.gz OAQBDENIXYTDAM-QGZVFWFLSA-N 2 0 391.437 3.091 20 0 GGADRP CCOc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420632 1411496283 /nfs/dbraw/zinc/49/62/83/1411496283.db2.gz FMQAFOJRQWBLPQ-OAQYLSRUSA-N 2 0 381.520 3.072 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(F)c3)c2)C1 ZINC000108421066 1411497291 /nfs/dbraw/zinc/49/72/91/1411497291.db2.gz VLXXJTNUVMEAHI-SFHVURJKSA-N 2 0 389.902 3.466 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000108484863 1411517245 /nfs/dbraw/zinc/51/72/45/1411517245.db2.gz UNIFRGXXGNPGGL-ZWKOTPCHSA-N 2 0 378.586 3.306 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541056 1411533321 /nfs/dbraw/zinc/53/33/21/1411533321.db2.gz UYVUXMLQNIJLIP-MSOLQXFVSA-N 2 0 378.586 3.162 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000108541062 1411533953 /nfs/dbraw/zinc/53/39/53/1411533953.db2.gz FOTUHLZTWYQUPG-LPHOPBHVSA-N 2 0 380.964 3.364 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC000108551650 1411537230 /nfs/dbraw/zinc/53/72/30/1411537230.db2.gz DTQFTFNIQNVNTE-KNKQGSTJSA-N 2 0 386.584 3.306 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[NH+](C)C3)cc2)C1 ZINC000108551644 1411537302 /nfs/dbraw/zinc/53/73/02/1411537302.db2.gz DTQFTFNIQNVNTE-JQVVWYNYSA-N 2 0 386.584 3.306 20 0 GGADRP C[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000108811125 1411619760 /nfs/dbraw/zinc/61/97/60/1411619760.db2.gz BGYPLPRTHWRQHI-UHFFFAOYSA-N 2 0 380.536 3.036 20 0 GGADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000177084279 1428582783 /nfs/dbraw/zinc/58/27/83/1428582783.db2.gz FSTVFAUSKFHKJT-QFIPXVFZSA-N 2 0 387.568 3.000 20 0 GGADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)c1 ZINC000108930323 1411642194 /nfs/dbraw/zinc/64/21/94/1411642194.db2.gz JZIAUWWPMDYUFU-FCHUYYIVSA-N 2 0 381.520 3.079 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339901 1411744677 /nfs/dbraw/zinc/74/46/77/1411744677.db2.gz MUOVOAQYHMHEFD-IRLDBZIGSA-N 2 0 383.511 3.457 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000110210913 1411837924 /nfs/dbraw/zinc/83/79/24/1411837924.db2.gz WRLWBVDGZVVFTP-UHFFFAOYSA-N 2 0 380.536 3.289 20 0 GGADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110429267 1411850407 /nfs/dbraw/zinc/85/04/07/1411850407.db2.gz QDEGEESSVOOZDZ-YSTOQKLRSA-N 2 0 399.579 3.174 20 0 GGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110429270 1411850421 /nfs/dbraw/zinc/85/04/21/1411850421.db2.gz QDEGEESSVOOZDZ-VNTMZGSJSA-N 2 0 399.579 3.174 20 0 GGADRP CCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110480826 1411852285 /nfs/dbraw/zinc/85/22/85/1411852285.db2.gz UJIIZNDEWJGHLX-FQEVSTJZSA-N 2 0 397.485 3.432 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000111035678 1411883486 /nfs/dbraw/zinc/88/34/86/1411883486.db2.gz UGNBKAZTQZAAQY-VXKWHMMOSA-N 2 0 383.536 3.497 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000111386808 1411937854 /nfs/dbraw/zinc/93/78/54/1411937854.db2.gz KVJNUIQAGFEODU-SFHVURJKSA-N 2 0 394.922 3.300 20 0 GGADRP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177188718 1428622192 /nfs/dbraw/zinc/62/21/92/1428622192.db2.gz ZIOKKECBHSEBPG-SFTDATJTSA-N 2 0 387.593 3.259 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112213883 1412094276 /nfs/dbraw/zinc/09/42/76/1412094276.db2.gz SZYMQMOXMARVKY-UHFFFAOYSA-N 2 0 396.645 3.300 20 0 GGADRP O=C1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1c1ccccc1F ZINC000112383457 1412136747 /nfs/dbraw/zinc/13/67/47/1412136747.db2.gz WFKZXSKJMUJDJX-OAQYLSRUSA-N 2 0 397.494 3.195 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1Cl ZINC000112542265 1412165907 /nfs/dbraw/zinc/16/59/07/1412165907.db2.gz QMUKCZHXCIBGDJ-HNNXBMFYSA-N 2 0 389.927 3.491 20 0 GGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000112649030 1412186451 /nfs/dbraw/zinc/18/64/51/1412186451.db2.gz SHLWERSOIKXYKF-QZTJIDSGSA-N 2 0 392.975 3.159 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710184 1412200992 /nfs/dbraw/zinc/20/09/92/1412200992.db2.gz SPNOICABPLOUQX-CQSZACIVSA-N 2 0 375.891 3.305 20 0 GGADRP C[NH+](C)CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CCCC1 ZINC000112915997 1412238138 /nfs/dbraw/zinc/23/81/38/1412238138.db2.gz ZPHRPTKBKKLKJM-UHFFFAOYSA-N 2 0 375.582 3.182 20 0 GGADRP COc1ccc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000177219572 1428637750 /nfs/dbraw/zinc/63/77/50/1428637750.db2.gz ZINHTPJTHKVYDE-AATRIKPKSA-N 2 0 386.492 3.235 20 0 GGADRP Cc1ccc(OCc2nc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cs2)cc1 ZINC000113320165 1412292853 /nfs/dbraw/zinc/29/28/53/1412292853.db2.gz ZFXOPQMOKUKTNC-UHFFFAOYSA-N 2 0 388.581 3.146 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000113500851 1412310278 /nfs/dbraw/zinc/31/02/78/1412310278.db2.gz SAPQTSGECSQLCH-GOSISDBHSA-N 2 0 383.458 3.474 20 0 GGADRP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c2ccccc2)cc1 ZINC000113515345 1412310929 /nfs/dbraw/zinc/31/09/29/1412310929.db2.gz WIFRYPABMYXVDI-AGILITTLSA-N 2 0 382.548 3.345 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113616501 1412321968 /nfs/dbraw/zinc/32/19/68/1412321968.db2.gz AIRRYDQIEJJXQR-NRFANRHFSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000113934124 1412354211 /nfs/dbraw/zinc/35/42/11/1412354211.db2.gz HPQYKVVMDPSWCF-RTBURBONSA-N 2 0 386.540 3.311 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000113934591 1412354754 /nfs/dbraw/zinc/35/47/54/1412354754.db2.gz GLRWYKGFNZIYHT-QZTJIDSGSA-N 2 0 387.524 3.330 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000114115131 1412381424 /nfs/dbraw/zinc/38/14/24/1412381424.db2.gz QSQOAYCRMXNYKY-UHFFFAOYSA-N 2 0 392.503 3.499 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000114475635 1412441037 /nfs/dbraw/zinc/44/10/37/1412441037.db2.gz ITBPADOHYTXHMF-UHFFFAOYSA-N 2 0 396.579 3.497 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000114475722 1412441278 /nfs/dbraw/zinc/44/12/78/1412441278.db2.gz UFLUCEBGYXVMIN-QGZVFWFLSA-N 2 0 388.556 3.416 20 0 GGADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114583493 1412467365 /nfs/dbraw/zinc/46/73/65/1412467365.db2.gz CMBXNMOSFSMAHX-GOSISDBHSA-N 2 0 398.473 3.063 20 0 GGADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C1CC1 ZINC000114595833 1412471009 /nfs/dbraw/zinc/47/10/09/1412471009.db2.gz RORHDVDAQQQLHH-WMLDXEAASA-N 2 0 398.473 3.062 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604125 1412472341 /nfs/dbraw/zinc/47/23/41/1412472341.db2.gz WPLNQHBZOHTOFG-QZTJIDSGSA-N 2 0 398.473 3.015 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000114748173 1412517952 /nfs/dbraw/zinc/51/79/52/1412517952.db2.gz JEPHLZYGPJKGAI-JTDSTZFVSA-N 2 0 397.485 3.417 20 0 GGADRP O=C1[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1CC(F)(F)F ZINC000114752641 1412519438 /nfs/dbraw/zinc/51/94/38/1412519438.db2.gz MNZBBKPSLUJKGG-SFHVURJKSA-N 2 0 383.458 3.315 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115794829 1412790931 /nfs/dbraw/zinc/79/09/31/1412790931.db2.gz YDKBHNXBQPZZHH-QFIPXVFZSA-N 2 0 386.584 3.402 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806802 1412794599 /nfs/dbraw/zinc/79/45/99/1412794599.db2.gz PEIYDXJBFUYBPF-IRLDBZIGSA-N 2 0 386.584 3.443 20 0 GGADRP C[NH+](C)CC[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(C)(C)C ZINC000116129436 1412834612 /nfs/dbraw/zinc/83/46/12/1412834612.db2.gz FZAXBGNXXYMENY-IBGZPJMESA-N 2 0 377.598 3.332 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NCc2cnc(N3CCOCC3)s2)CC1 ZINC000116368573 1412852882 /nfs/dbraw/zinc/85/28/82/1412852882.db2.gz MVXYJBDRLGJXLD-QGZVFWFLSA-N 2 0 386.565 3.295 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cnc(N3CCOCC3)s2)CC1 ZINC000116368572 1412852976 /nfs/dbraw/zinc/85/29/76/1412852976.db2.gz MVXYJBDRLGJXLD-KRWDZBQOSA-N 2 0 386.565 3.295 20 0 GGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116576123 1412880343 /nfs/dbraw/zinc/88/03/43/1412880343.db2.gz VVRQHAHUARLWCH-GUDVDZBRSA-N 2 0 389.609 3.332 20 0 GGADRP COc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318286 1428685608 /nfs/dbraw/zinc/68/56/08/1428685608.db2.gz ZISMVNXFCKHMOM-UWJYYQICSA-N 2 0 381.520 3.243 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000116995035 1412974106 /nfs/dbraw/zinc/97/41/06/1412974106.db2.gz ZUGNCAZYPVLYPU-UHFFFAOYSA-N 2 0 377.960 3.195 20 0 GGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177331005 1428694394 /nfs/dbraw/zinc/69/43/94/1428694394.db2.gz IXUDHIHUSKDALY-SFHVURJKSA-N 2 0 381.586 3.244 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000177343132 1428699968 /nfs/dbraw/zinc/69/99/68/1428699968.db2.gz NWMSURNWAOBDQT-MJGOQNOKSA-N 2 0 383.577 3.113 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000118545494 1413173786 /nfs/dbraw/zinc/17/37/86/1413173786.db2.gz OGTUWKUTXVOCMG-UHFFFAOYSA-N 2 0 376.545 3.402 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000118545916 1413173893 /nfs/dbraw/zinc/17/38/93/1413173893.db2.gz KTIXAIUVFONJMR-UHFFFAOYSA-N 2 0 388.556 3.499 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177376948 1428710419 /nfs/dbraw/zinc/71/04/19/1428710419.db2.gz PBCCRCKURBCBFP-UHFFFAOYSA-N 2 0 399.583 3.142 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000118756778 1413215663 /nfs/dbraw/zinc/21/56/63/1413215663.db2.gz UUXGUUUVLYMEAZ-SFHVURJKSA-N 2 0 391.581 3.036 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000118759588 1413216423 /nfs/dbraw/zinc/21/64/23/1413216423.db2.gz HXZFDOUMEDCYLF-UHFFFAOYSA-N 2 0 399.579 3.324 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000118834606 1413237251 /nfs/dbraw/zinc/23/72/51/1413237251.db2.gz SZNHEDHGOCUZFG-MRXNPFEDSA-N 2 0 399.366 3.034 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000118957995 1413274837 /nfs/dbraw/zinc/27/48/37/1413274837.db2.gz UTKGLNUPHDSTFQ-OALUTQOASA-N 2 0 392.613 3.237 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000118979960 1413288148 /nfs/dbraw/zinc/28/81/48/1413288148.db2.gz LVZRJOMGYZLEOK-QRVBRYPASA-N 2 0 383.577 3.113 20 0 GGADRP COc1cccc(CCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000119033800 1413311409 /nfs/dbraw/zinc/31/14/09/1413311409.db2.gz KHHBMAIIFFCMQG-UHFFFAOYSA-N 2 0 381.564 3.377 20 0 GGADRP C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C[NH+]1CCCC1 ZINC000119109239 1413340369 /nfs/dbraw/zinc/34/03/69/1413340369.db2.gz CGVKUTLCZZJFJX-WOJBJXKFSA-N 2 0 378.605 3.404 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000119184793 1413369154 /nfs/dbraw/zinc/36/91/54/1413369154.db2.gz GXVLABOWKLPVCU-OALUTQOASA-N 2 0 376.545 3.002 20 0 GGADRP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000119402901 1413435313 /nfs/dbraw/zinc/43/53/13/1413435313.db2.gz RSJIYFMBSJJNSJ-SGNDLWITSA-N 2 0 380.532 3.022 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000119424128 1413442777 /nfs/dbraw/zinc/44/27/77/1413442777.db2.gz ZDPIYJXBQXIXBA-YADHBBJMSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000119423947 1413442983 /nfs/dbraw/zinc/44/29/83/1413442983.db2.gz ZDPIYJXBQXIXBA-FGZHOGPDSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C[NH+](C)C ZINC000119423859 1413443011 /nfs/dbraw/zinc/44/30/11/1413443011.db2.gz KJQIWPJSARIZHE-IRXDYDNUSA-N 2 0 380.602 3.236 20 0 GGADRP C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000119487529 1413463446 /nfs/dbraw/zinc/46/34/46/1413463446.db2.gz DIGOZTGKRYJQPT-QRVBRYPASA-N 2 0 377.573 3.165 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000119503011 1413468442 /nfs/dbraw/zinc/46/84/42/1413468442.db2.gz YTVOLUKIFADKKN-IBGZPJMESA-N 2 0 378.605 3.404 20 0 GGADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c(OCCC)c1 ZINC000119582091 1413493287 /nfs/dbraw/zinc/49/32/87/1413493287.db2.gz LMHAMGLPZOYAIQ-OAQYLSRUSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3cc4ccccc4o3)C2)CC1 ZINC000119608402 1413502182 /nfs/dbraw/zinc/50/21/82/1413502182.db2.gz ACIQMCTYMDYFHF-HXUWFJFHSA-N 2 0 393.535 3.045 20 0 GGADRP C[C@@]1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000119632903 1413509673 /nfs/dbraw/zinc/50/96/73/1413509673.db2.gz BYHVQVWJRFTNLZ-QHCPKHFHSA-N 2 0 384.568 3.311 20 0 GGADRP Clc1ccc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCOCC2)cc1 ZINC000119785159 1413568103 /nfs/dbraw/zinc/56/81/03/1413568103.db2.gz RAAPFFJQYMNGDN-OAQYLSRUSA-N 2 0 377.960 3.177 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000119811972 1413577928 /nfs/dbraw/zinc/57/79/28/1413577928.db2.gz JBVJVPWJAAUFJQ-UHFFFAOYSA-N 2 0 375.561 3.024 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120024258 1413657810 /nfs/dbraw/zinc/65/78/10/1413657810.db2.gz HUEQEIJAEIFWOR-CQSZACIVSA-N 2 0 377.529 3.320 20 0 GGADRP C[C@@H]1OCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122497 1413696496 /nfs/dbraw/zinc/69/64/96/1413696496.db2.gz QYHXCVLWHDOWJB-QFBILLFUSA-N 2 0 385.474 3.375 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000120171266 1413716644 /nfs/dbraw/zinc/71/66/44/1413716644.db2.gz QGWSNBMTUZPNMS-IOMROCGXSA-N 2 0 390.572 3.060 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000120210549 1413732306 /nfs/dbraw/zinc/73/23/06/1413732306.db2.gz PVBZTUCGJVHPAQ-UHFFFAOYSA-N 2 0 380.508 3.104 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000120216422 1413734717 /nfs/dbraw/zinc/73/47/17/1413734717.db2.gz NFKOUIQCZAEYKK-XQBPLPMBSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120300841 1413774588 /nfs/dbraw/zinc/77/45/88/1413774588.db2.gz JTMWAGJYAOHYEP-IRLDBZIGSA-N 2 0 393.616 3.286 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000120497482 1413830571 /nfs/dbraw/zinc/83/05/71/1413830571.db2.gz HLMBOHMZGHEZME-MRXNPFEDSA-N 2 0 383.492 3.374 20 0 GGADRP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120602587 1413852357 /nfs/dbraw/zinc/85/23/57/1413852357.db2.gz RYUUVFZBYDLXGF-GBXCKJPGSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120602711 1413852609 /nfs/dbraw/zinc/85/26/09/1413852609.db2.gz RYUUVFZBYDLXGF-HYBUGGRVSA-N 2 0 397.563 3.351 20 0 GGADRP CCc1noc(C2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)CC2)n1 ZINC000120639218 1413862566 /nfs/dbraw/zinc/86/25/66/1413862566.db2.gz LCMNLIKXIGFITI-JITJBCMDSA-N 2 0 398.551 3.405 20 0 GGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000120651439 1413866350 /nfs/dbraw/zinc/86/63/50/1413866350.db2.gz IQICZQLWHGKWDB-VWLOTQADSA-N 2 0 393.575 3.050 20 0 GGADRP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000120711487 1413881428 /nfs/dbraw/zinc/88/14/28/1413881428.db2.gz FTHAQZLPAPMTQC-UHFFFAOYSA-N 2 0 393.531 3.483 20 0 GGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000120739856 1413889723 /nfs/dbraw/zinc/88/97/23/1413889723.db2.gz WBKCRCVBMJBBKB-UHFFFAOYSA-N 2 0 399.579 3.028 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000177487867 1428764164 /nfs/dbraw/zinc/76/41/64/1428764164.db2.gz CSNOEECKCQBFTD-HDICACEKSA-N 2 0 391.531 3.366 20 0 GGADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000120792503 1413904724 /nfs/dbraw/zinc/90/47/24/1413904724.db2.gz PFVNJYYGSQTSHH-HXUWFJFHSA-N 2 0 375.520 3.425 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000120805467 1413908478 /nfs/dbraw/zinc/90/84/78/1413908478.db2.gz UXNKGGULTDLDCP-QUCCMNQESA-N 2 0 383.584 3.332 20 0 GGADRP Cc1nn(C)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000120866109 1413931123 /nfs/dbraw/zinc/93/11/23/1413931123.db2.gz NRHJEIZNXQBOOB-UHFFFAOYSA-N 2 0 389.975 3.070 20 0 GGADRP Cc1ccnc(N2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000120908612 1413944609 /nfs/dbraw/zinc/94/46/09/1413944609.db2.gz LCARQOHSBVDQHG-UHFFFAOYSA-N 2 0 393.579 3.243 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)oc1C ZINC000177494025 1428768164 /nfs/dbraw/zinc/76/81/64/1428768164.db2.gz NTOOXRJXZXXNJH-HZPDHXFCSA-N 2 0 378.513 3.086 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@H](C)O1 ZINC000177495614 1428768822 /nfs/dbraw/zinc/76/88/22/1428768822.db2.gz LFVSGUXGLDKNLE-OALUTQOASA-N 2 0 387.568 3.100 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(C)o3)cc2)CC1 ZINC000120996640 1413972388 /nfs/dbraw/zinc/97/23/88/1413972388.db2.gz SSTPDCZMBLCJQQ-UHFFFAOYSA-N 2 0 393.535 3.405 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)C[C@H](C)O1 ZINC000177497381 1428770113 /nfs/dbraw/zinc/77/01/13/1428770113.db2.gz NRAGOJFVTOYNFS-IRXDYDNUSA-N 2 0 392.515 3.404 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@@H](C)O1 ZINC000177501136 1428771446 /nfs/dbraw/zinc/77/14/46/1428771446.db2.gz VYBMLSJZKHIJOX-QZTJIDSGSA-N 2 0 383.536 3.239 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000177502024 1428771877 /nfs/dbraw/zinc/77/18/77/1428771877.db2.gz KDIJNHDUHWLNCM-PMACEKPBSA-N 2 0 399.579 3.177 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000177502010 1428772078 /nfs/dbraw/zinc/77/20/78/1428772078.db2.gz KDIJNHDUHWLNCM-BGYRXZFFSA-N 2 0 399.579 3.177 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000121091535 1414004862 /nfs/dbraw/zinc/00/48/62/1414004862.db2.gz LLRNQMWGUZHOLI-OAHLLOKOSA-N 2 0 377.529 3.273 20 0 GGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121098106 1414006475 /nfs/dbraw/zinc/00/64/75/1414006475.db2.gz NWDLURFVYABRPF-LJQANCHMSA-N 2 0 398.595 3.381 20 0 GGADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121114905 1414013174 /nfs/dbraw/zinc/01/31/74/1414013174.db2.gz XBTFFRHKRCYVEE-GOSISDBHSA-N 2 0 389.565 3.110 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000177508516 1428775376 /nfs/dbraw/zinc/77/53/76/1428775376.db2.gz DRCNFVWLRQHSQA-ROUUACIJSA-N 2 0 391.531 3.366 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000121158191 1414028015 /nfs/dbraw/zinc/02/80/15/1414028015.db2.gz MOPAMQIRZMODQL-IBGZPJMESA-N 2 0 392.547 3.151 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000121174514 1414033425 /nfs/dbraw/zinc/03/34/25/1414033425.db2.gz DUFGKHYFRXKNFH-CVEARBPZSA-N 2 0 385.499 3.221 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000121174628 1414033461 /nfs/dbraw/zinc/03/34/61/1414033461.db2.gz DUFGKHYFRXKNFH-JKSUJKDBSA-N 2 0 385.499 3.221 20 0 GGADRP CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000121182964 1414036492 /nfs/dbraw/zinc/03/64/92/1414036492.db2.gz OAZIEJLEOMDTOZ-UHFFFAOYSA-N 2 0 381.520 3.153 20 0 GGADRP C[N@H+](CCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000121185396 1414036920 /nfs/dbraw/zinc/03/69/20/1414036920.db2.gz JBPLWEWCURIYQC-UHFFFAOYSA-N 2 0 398.551 3.408 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121194565 1414040245 /nfs/dbraw/zinc/04/02/45/1414040245.db2.gz NUFVBYOBMRNCKG-ROUUACIJSA-N 2 0 387.547 3.244 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121194822 1414040381 /nfs/dbraw/zinc/04/03/81/1414040381.db2.gz NUFVBYOBMRNCKG-ZWKOTPCHSA-N 2 0 387.547 3.244 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121219784 1414048135 /nfs/dbraw/zinc/04/81/35/1414048135.db2.gz CPIMOPPGYCCBMB-ICSRJNTNSA-N 2 0 389.588 3.054 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000121266656 1414064659 /nfs/dbraw/zinc/06/46/59/1414064659.db2.gz OOIVHMGUHJUMIE-IBGZPJMESA-N 2 0 393.019 3.168 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121352311 1414092087 /nfs/dbraw/zinc/09/20/87/1414092087.db2.gz RPMUDZQXNMLXFR-HZPDHXFCSA-N 2 0 383.964 3.281 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121352144 1414092114 /nfs/dbraw/zinc/09/21/14/1414092114.db2.gz RPMUDZQXNMLXFR-JKSUJKDBSA-N 2 0 383.964 3.281 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000121490723 1414147282 /nfs/dbraw/zinc/14/72/82/1414147282.db2.gz UNXWURKLKFXLSZ-ZIAGYGMSSA-N 2 0 378.904 3.497 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000121624054 1414204105 /nfs/dbraw/zinc/20/41/05/1414204105.db2.gz OTRXZULIWVHGCO-UHFFFAOYSA-N 2 0 387.568 3.288 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121656698 1414214026 /nfs/dbraw/zinc/21/40/26/1414214026.db2.gz CXLOTZZPMZZHGA-INIZCTEOSA-N 2 0 388.581 3.307 20 0 GGADRP O=C1[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCCN1CC(F)(F)F ZINC000121678812 1414221006 /nfs/dbraw/zinc/22/10/06/1414221006.db2.gz WZEYLFSQCPGTEQ-QGZVFWFLSA-N 2 0 375.479 3.128 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177557071 1428792508 /nfs/dbraw/zinc/79/25/08/1428792508.db2.gz MDVYGLQWUDTHGK-HXUWFJFHSA-N 2 0 376.589 3.347 20 0 GGADRP CN(c1ccccc1C[NH2+]CCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000177558075 1428792625 /nfs/dbraw/zinc/79/26/25/1428792625.db2.gz WMFQZNLJEKQKPT-UHFFFAOYSA-N 2 0 395.547 3.321 20 0 GGADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121806332 1414263760 /nfs/dbraw/zinc/26/37/60/1414263760.db2.gz IEIMGQRAFFWGMN-LJQANCHMSA-N 2 0 387.568 3.288 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000121824282 1414270342 /nfs/dbraw/zinc/27/03/42/1414270342.db2.gz TUYROLFIVBQPSI-RTBURBONSA-N 2 0 386.584 3.315 20 0 GGADRP COCc1ccc(CNC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121827614 1414270665 /nfs/dbraw/zinc/27/06/65/1414270665.db2.gz ZPWJWOZOTMSXHM-UHFFFAOYSA-N 2 0 387.568 3.037 20 0 GGADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000121857099 1414280071 /nfs/dbraw/zinc/28/00/71/1414280071.db2.gz ASSLMVTZQSLYHY-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP O[C@H](COCc1ccccc1F)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121909440 1414303272 /nfs/dbraw/zinc/30/32/72/1414303272.db2.gz JJZIWBYCKPBQQN-NRFANRHFSA-N 2 0 378.532 3.291 20 0 GGADRP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122023882 1414342685 /nfs/dbraw/zinc/34/26/85/1414342685.db2.gz CHUMSQSLQCBNBG-LJQANCHMSA-N 2 0 387.568 3.460 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000122044061 1414347488 /nfs/dbraw/zinc/34/74/88/1414347488.db2.gz YDVKXFHWTOCTKK-UHFFFAOYSA-N 2 0 375.557 3.312 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000122118163 1414366580 /nfs/dbraw/zinc/36/65/80/1414366580.db2.gz LLAKETLILNRQIS-KRWDZBQOSA-N 2 0 379.520 3.223 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000122136149 1414370882 /nfs/dbraw/zinc/37/08/82/1414370882.db2.gz XCCBGBCLDOPDQH-IBGZPJMESA-N 2 0 387.568 3.035 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1COC ZINC000122141523 1414372143 /nfs/dbraw/zinc/37/21/43/1414372143.db2.gz PAXYBIIEDUZERX-INIZCTEOSA-N 2 0 396.963 3.366 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122253451 1414402136 /nfs/dbraw/zinc/40/21/36/1414402136.db2.gz PXZFTFXGSICZHR-QZTJIDSGSA-N 2 0 377.529 3.162 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1)C1CC1 ZINC000122264731 1414405530 /nfs/dbraw/zinc/40/55/30/1414405530.db2.gz WKAJZZPWROYKKD-PKTZIBPZSA-N 2 0 399.579 3.169 20 0 GGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122276037 1414408507 /nfs/dbraw/zinc/40/85/07/1414408507.db2.gz IHLUWCWPWAWPEU-HNNXBMFYSA-N 2 0 390.915 3.182 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000122358834 1414433681 /nfs/dbraw/zinc/43/36/81/1414433681.db2.gz HFFNGQWVGQBPJH-RDPSFJRHSA-N 2 0 397.563 3.006 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000122711479 1414544879 /nfs/dbraw/zinc/54/48/79/1414544879.db2.gz VOVRHRKZADAYJI-KBXCAEBGSA-N 2 0 381.467 3.103 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000122712242 1414545464 /nfs/dbraw/zinc/54/54/64/1414545464.db2.gz VOVRHRKZADAYJI-KDOFPFPSSA-N 2 0 381.467 3.103 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000122815895 1414572092 /nfs/dbraw/zinc/57/20/92/1414572092.db2.gz MBYKHLLMAZSFGO-IEBWSBKVSA-N 2 0 376.541 3.420 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000122850536 1414580250 /nfs/dbraw/zinc/58/02/50/1414580250.db2.gz WPGQLJKICNMZMK-JOCHJYFZSA-N 2 0 398.551 3.498 20 0 GGADRP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122923513 1414598366 /nfs/dbraw/zinc/59/83/66/1414598366.db2.gz UYEHFISFWXFKAE-FXAWDEMLSA-N 2 0 395.588 3.398 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177646011 1428821577 /nfs/dbraw/zinc/82/15/77/1428821577.db2.gz AACRQSKXDLASNM-JOCHJYFZSA-N 2 0 392.547 3.074 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000122953171 1414604502 /nfs/dbraw/zinc/60/45/02/1414604502.db2.gz FBOAEDUZFQXZHM-MRXNPFEDSA-N 2 0 385.508 3.272 20 0 GGADRP CN(c1ccccc1C[NH2+]CCC(=O)NC1CCCCC1)C1CC[NH+](C)CC1 ZINC000123114893 1414645598 /nfs/dbraw/zinc/64/55/98/1414645598.db2.gz KSFZYSNQEKGNPM-UHFFFAOYSA-N 2 0 386.584 3.146 20 0 GGADRP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123120775 1414646687 /nfs/dbraw/zinc/64/66/87/1414646687.db2.gz HTULLASNUSRHAU-UHFFFAOYSA-N 2 0 377.598 3.421 20 0 GGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123155444 1414655894 /nfs/dbraw/zinc/65/58/94/1414655894.db2.gz MZAMXFLZUYTAQW-HDYDNRTBSA-N 2 0 378.582 3.482 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000123190214 1414664442 /nfs/dbraw/zinc/66/44/42/1414664442.db2.gz HUWSYMKMYSXKPZ-JOCHJYFZSA-N 2 0 380.536 3.212 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000123393811 1414714884 /nfs/dbraw/zinc/71/48/84/1414714884.db2.gz IYZHQYDHJZEEMV-NQIIRXRSSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000123441230 1414732737 /nfs/dbraw/zinc/73/27/37/1414732737.db2.gz UDGSMZSBTXMWDN-AAIMPIBUSA-N 2 0 396.579 3.092 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123476830 1414746095 /nfs/dbraw/zinc/74/60/95/1414746095.db2.gz QMMFIIQZDOJIMS-ROUUACIJSA-N 2 0 375.557 3.315 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177699032 1428836354 /nfs/dbraw/zinc/83/63/54/1428836354.db2.gz OWRQXCDMIUEFBI-UHFFFAOYSA-N 2 0 385.474 3.028 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123633895 1414801215 /nfs/dbraw/zinc/80/12/15/1414801215.db2.gz FOSXUHVDPRLLHJ-QGZVFWFLSA-N 2 0 387.549 3.139 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123670714 1414806872 /nfs/dbraw/zinc/80/68/72/1414806872.db2.gz YXBUOFKUOANXEM-MRXNPFEDSA-N 2 0 375.538 3.361 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000123701203 1414811966 /nfs/dbraw/zinc/81/19/66/1414811966.db2.gz CGSMBMJRAQUBEQ-MRXNPFEDSA-N 2 0 394.475 3.396 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123753270 1414820059 /nfs/dbraw/zinc/82/00/59/1414820059.db2.gz HIJZLTOSYBPHSH-RXVVDRJESA-N 2 0 387.568 3.459 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123752818 1414820240 /nfs/dbraw/zinc/82/02/40/1414820240.db2.gz HIJZLTOSYBPHSH-GHTZIAJQSA-N 2 0 387.568 3.459 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000123809558 1414827790 /nfs/dbraw/zinc/82/77/90/1414827790.db2.gz BTHGHZLZGIBUKO-RXVVDRJESA-N 2 0 387.568 3.459 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000123834267 1414831955 /nfs/dbraw/zinc/83/19/55/1414831955.db2.gz YCPNHNYCVPBRML-GGAORHGYSA-N 2 0 396.579 3.093 20 0 GGADRP CC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000123835539 1414832058 /nfs/dbraw/zinc/83/20/58/1414832058.db2.gz KEOWDNKZIJLBOZ-UHFFFAOYSA-N 2 0 380.536 3.255 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000123854265 1414835630 /nfs/dbraw/zinc/83/56/30/1414835630.db2.gz OODUEHOJCXMDIL-UHFFFAOYSA-N 2 0 395.425 3.166 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123860271 1414836696 /nfs/dbraw/zinc/83/66/96/1414836696.db2.gz FBNZUJJQHVGPHL-GGAORHGYSA-N 2 0 396.579 3.441 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000123860699 1414837388 /nfs/dbraw/zinc/83/73/88/1414837388.db2.gz FBNZUJJQHVGPHL-GMAHTHKFSA-N 2 0 396.579 3.441 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000123871877 1414840101 /nfs/dbraw/zinc/84/01/01/1414840101.db2.gz RFZBVZSEWJALFF-UHFFFAOYSA-N 2 0 394.544 3.391 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940795 1414853689 /nfs/dbraw/zinc/85/36/89/1414853689.db2.gz JJTKFJSRXOWWPR-MRXNPFEDSA-N 2 0 375.538 3.361 20 0 GGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000124319090 1414938030 /nfs/dbraw/zinc/93/80/30/1414938030.db2.gz HJEAFNUYOOECPB-FQEVSTJZSA-N 2 0 386.540 3.314 20 0 GGADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1OC(F)F ZINC000124373287 1414951383 /nfs/dbraw/zinc/95/13/83/1414951383.db2.gz XVUPYPGJMXKWQH-OAHLLOKOSA-N 2 0 385.499 3.221 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124466083 1414975018 /nfs/dbraw/zinc/97/50/18/1414975018.db2.gz UEWXCJKTNUXLEZ-INIZCTEOSA-N 2 0 387.597 3.438 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509557 1414984145 /nfs/dbraw/zinc/98/41/45/1414984145.db2.gz POVRNDNDWKDZKW-NRFANRHFSA-N 2 0 386.584 3.067 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@H](C)O1 ZINC000124610182 1415004799 /nfs/dbraw/zinc/00/47/99/1415004799.db2.gz OPFILKHKEHTSIO-CALCHBBNSA-N 2 0 381.511 3.115 20 0 GGADRP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000124656737 1415014601 /nfs/dbraw/zinc/01/46/01/1415014601.db2.gz PQSNYZZWYDBCOJ-DFQSSKMNSA-N 2 0 375.557 3.361 20 0 GGADRP O=C(NCc1ccn2ccnc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000177791697 1428859337 /nfs/dbraw/zinc/85/93/37/1428859337.db2.gz HWPUFVXDAMXFDQ-UHFFFAOYSA-N 2 0 391.519 3.184 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000124912638 1415071256 /nfs/dbraw/zinc/07/12/56/1415071256.db2.gz GPTRVFFGKZYZNI-PZJWPPBQSA-N 2 0 376.589 3.157 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(CC(F)F)CC3)CC2)c1 ZINC000125330470 1415166683 /nfs/dbraw/zinc/16/66/83/1415166683.db2.gz WSLNPPGGUWJVBP-UHFFFAOYSA-N 2 0 394.554 3.216 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCc4c3cnn4C)CC2)c1 ZINC000125340297 1415168949 /nfs/dbraw/zinc/16/89/49/1415168949.db2.gz JMKRUDCEBWBGJS-JOCHJYFZSA-N 2 0 381.568 3.298 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000177871260 1428878794 /nfs/dbraw/zinc/87/87/94/1428878794.db2.gz ZJAFRTJRZMJZHB-QFIPXVFZSA-N 2 0 386.584 3.402 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000125633793 1415242254 /nfs/dbraw/zinc/24/22/54/1415242254.db2.gz FMWMIPVBWRMJNZ-FQEVSTJZSA-N 2 0 378.605 3.308 20 0 GGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCSC1 ZINC000125668947 1415250348 /nfs/dbraw/zinc/25/03/48/1415250348.db2.gz ZSYMGKXSBJSUSX-HXUWFJFHSA-N 2 0 375.582 3.116 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000125686226 1415254775 /nfs/dbraw/zinc/25/47/75/1415254775.db2.gz BBCSRIPVPIHDGS-UHFFFAOYSA-N 2 0 381.524 3.452 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000125718742 1415261724 /nfs/dbraw/zinc/26/17/24/1415261724.db2.gz VWIAFBFLERIMOY-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125791515 1415281547 /nfs/dbraw/zinc/28/15/47/1415281547.db2.gz PNMOXHKRGRJNBY-OALUTQOASA-N 2 0 395.613 3.488 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125791674 1415282107 /nfs/dbraw/zinc/28/21/07/1415282107.db2.gz PNMOXHKRGRJNBY-RTBURBONSA-N 2 0 395.613 3.488 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000125825348 1415290865 /nfs/dbraw/zinc/29/08/65/1415290865.db2.gz SONWMSKGZYGZAC-WOJBJXKFSA-N 2 0 390.572 3.392 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(F)c(Br)c3)ccn2)CC1 ZINC000126055026 1415345983 /nfs/dbraw/zinc/34/59/83/1415345983.db2.gz MNDKQCQXBJVAHI-UHFFFAOYSA-N 2 0 393.304 3.025 20 0 GGADRP CCCOc1c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cccc1OCC ZINC000126056310 1415346711 /nfs/dbraw/zinc/34/67/11/1415346711.db2.gz UMCAPIAANZEEOU-UHFFFAOYSA-N 2 0 398.551 3.311 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)CC1 ZINC000126059619 1415347329 /nfs/dbraw/zinc/34/73/29/1415347329.db2.gz UXUZBUNTEWWINI-UHFFFAOYSA-N 2 0 384.337 3.236 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000126163227 1415374005 /nfs/dbraw/zinc/37/40/05/1415374005.db2.gz ZSMLCTLZTUXPNQ-INIZCTEOSA-N 2 0 385.508 3.272 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000126297755 1415409869 /nfs/dbraw/zinc/40/98/69/1415409869.db2.gz WNHDXTHOJPVEIC-GOSISDBHSA-N 2 0 390.572 3.137 20 0 GGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305387 1415412939 /nfs/dbraw/zinc/41/29/39/1415412939.db2.gz LHPSPELWFKMUPM-QGZVFWFLSA-N 2 0 379.508 3.367 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000126356327 1415425637 /nfs/dbraw/zinc/42/56/37/1415425637.db2.gz IDHFKFCGJFYQDQ-UHFFFAOYSA-N 2 0 397.611 3.345 20 0 GGADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126363656 1415427700 /nfs/dbraw/zinc/42/77/00/1415427700.db2.gz YRFRQJWOGFXKHR-JXFKEZNVSA-N 2 0 390.959 3.260 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000178000496 1428925442 /nfs/dbraw/zinc/92/54/42/1428925442.db2.gz JLWVEVOSNADQIM-VXKWHMMOSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000126626575 1415510198 /nfs/dbraw/zinc/51/01/98/1415510198.db2.gz LSFIMCUPJMBUQH-MRXNPFEDSA-N 2 0 396.626 3.012 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000126626374 1415510230 /nfs/dbraw/zinc/51/02/30/1415510230.db2.gz LSFIMCUPJMBUQH-INIZCTEOSA-N 2 0 396.626 3.012 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000126669118 1415522116 /nfs/dbraw/zinc/52/21/16/1415522116.db2.gz TWGCMZXEQGVCBI-UHFFFAOYSA-N 2 0 376.545 3.150 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126705472 1415531864 /nfs/dbraw/zinc/53/18/64/1415531864.db2.gz XJKSLARIMMJHSQ-SFHVURJKSA-N 2 0 381.520 3.056 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000126709093 1415534172 /nfs/dbraw/zinc/53/41/72/1415534172.db2.gz DCSWLFJMNKNNBO-UHFFFAOYSA-N 2 0 378.564 3.193 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000126717231 1415537235 /nfs/dbraw/zinc/53/72/35/1415537235.db2.gz HWCVEUNVUYKKOS-HXUWFJFHSA-N 2 0 389.547 3.471 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000178036169 1428948920 /nfs/dbraw/zinc/94/89/20/1428948920.db2.gz OYSQPOJWUVQUHL-ULQDDVLXSA-N 2 0 380.529 3.252 20 0 GGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000178036340 1428948690 /nfs/dbraw/zinc/94/86/90/1428948690.db2.gz ZHCFGTWBLAMLJG-SLFFLAALSA-N 2 0 375.557 3.500 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000178036182 1428948832 /nfs/dbraw/zinc/94/88/32/1428948832.db2.gz OYSQPOJWUVQUHL-ZACQAIPSSA-N 2 0 380.529 3.252 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775606 1415555774 /nfs/dbraw/zinc/55/57/74/1415555774.db2.gz QSHGJCBEVXYOGH-PKOBYXMFSA-N 2 0 390.597 3.305 20 0 GGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178037000 1428949520 /nfs/dbraw/zinc/94/95/20/1428949520.db2.gz YDUPXLACUVUTEW-GUDVDZBRSA-N 2 0 375.557 3.445 20 0 GGADRP C[N@H+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)Cc1ccccc1 ZINC000126819170 1415570603 /nfs/dbraw/zinc/57/06/03/1415570603.db2.gz NNKVLXDVANLWEC-FQEVSTJZSA-N 2 0 384.524 3.238 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038170 1428950164 /nfs/dbraw/zinc/95/01/64/1428950164.db2.gz POKQFIFQBWGTFB-BBWFWOEESA-N 2 0 389.519 3.255 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038193 1428950172 /nfs/dbraw/zinc/95/01/72/1428950172.db2.gz POKQFIFQBWGTFB-ZACQAIPSSA-N 2 0 389.519 3.255 20 0 GGADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)c1 ZINC000126866806 1415589406 /nfs/dbraw/zinc/58/94/06/1415589406.db2.gz SLQFQLCSTKPKDX-NQIIRXRSSA-N 2 0 390.572 3.109 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC000127106063 1415661410 /nfs/dbraw/zinc/66/14/10/1415661410.db2.gz JXUCLEGPLLARQV-HXUWFJFHSA-N 2 0 390.503 3.103 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC000127105835 1415661620 /nfs/dbraw/zinc/66/16/20/1415661620.db2.gz JXUCLEGPLLARQV-FQEVSTJZSA-N 2 0 390.503 3.103 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000127113536 1415663457 /nfs/dbraw/zinc/66/34/57/1415663457.db2.gz HBMQCGFXIIGVSV-IBGZPJMESA-N 2 0 386.565 3.446 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000127113775 1415663803 /nfs/dbraw/zinc/66/38/03/1415663803.db2.gz HBMQCGFXIIGVSV-LJQANCHMSA-N 2 0 386.565 3.446 20 0 GGADRP CCC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000127229344 1415695471 /nfs/dbraw/zinc/69/54/71/1415695471.db2.gz MXXWHLOPPQMOKR-GOSISDBHSA-N 2 0 376.564 3.493 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000127250789 1415704486 /nfs/dbraw/zinc/70/44/86/1415704486.db2.gz KZIYTEWFSJEQEL-MRXNPFEDSA-N 2 0 398.517 3.348 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000127333971 1415742702 /nfs/dbraw/zinc/74/27/02/1415742702.db2.gz RSRPFSYLYDJCGF-HOTGVXAUSA-N 2 0 375.948 3.121 20 0 GGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000127360355 1415751977 /nfs/dbraw/zinc/75/19/77/1415751977.db2.gz QMPBBVMKVIQTHL-HXUWFJFHSA-N 2 0 384.524 3.029 20 0 GGADRP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C2 ZINC000127418891 1415772422 /nfs/dbraw/zinc/77/24/22/1415772422.db2.gz YHXFRGPPTUFNLZ-VQTJNVASSA-N 2 0 386.540 3.252 20 0 GGADRP COc1ccc(Br)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000127421252 1415772901 /nfs/dbraw/zinc/77/29/01/1415772901.db2.gz SYJVNTJTCMZOMB-UHFFFAOYSA-N 2 0 396.373 3.106 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127438656 1415778297 /nfs/dbraw/zinc/77/82/97/1415778297.db2.gz NDZNIYAGKZWKQP-LJQANCHMSA-N 2 0 388.556 3.357 20 0 GGADRP COc1ccc(C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000127478509 1415795073 /nfs/dbraw/zinc/79/50/73/1415795073.db2.gz DQJCVRIWHRNEIE-CYFREDJKSA-N 2 0 397.563 3.213 20 0 GGADRP C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000127572474 1415811929 /nfs/dbraw/zinc/81/19/29/1415811929.db2.gz PRFOFBZDVNZBJZ-NZQKXSOJSA-N 2 0 383.580 3.274 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC000127653859 1415827065 /nfs/dbraw/zinc/82/70/65/1415827065.db2.gz LLKVSTKMEJZPSC-OBXNSHGQSA-N 2 0 376.589 3.346 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000127688369 1415833560 /nfs/dbraw/zinc/83/35/60/1415833560.db2.gz NYUASKFBGUWYPW-JKSUJKDBSA-N 2 0 388.581 3.414 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000178203207 1429017796 /nfs/dbraw/zinc/01/77/96/1429017796.db2.gz UZJKWRUYJNKOFR-HSZRJFAPSA-N 2 0 399.579 3.178 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821323 1415857075 /nfs/dbraw/zinc/85/70/75/1415857075.db2.gz NZDXSAIOMSXZMQ-FNLFUECCSA-N 2 0 381.495 3.326 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000127935315 1415878226 /nfs/dbraw/zinc/87/82/26/1415878226.db2.gz HRGQRJRNNBWUMG-PXNSSMCTSA-N 2 0 378.536 3.096 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(F)c1 ZINC000127934805 1415878266 /nfs/dbraw/zinc/87/82/66/1415878266.db2.gz HSZULKHBRSZECN-JRGCBEDISA-N 2 0 388.531 3.087 20 0 GGADRP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004541 1415891689 /nfs/dbraw/zinc/89/16/89/1415891689.db2.gz TUCYACJQBLFYDI-JTHBVZDNSA-N 2 0 395.547 3.156 20 0 GGADRP C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000178239773 1429028008 /nfs/dbraw/zinc/02/80/08/1429028008.db2.gz YWAODGBJBBZQTR-OALUTQOASA-N 2 0 387.568 3.100 20 0 GGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(c1ccccc1)c1ccccc1 ZINC000128118438 1415916710 /nfs/dbraw/zinc/91/67/10/1415916710.db2.gz YDAOTJHWJYHDOK-KNQAVFIVSA-N 2 0 379.548 3.384 20 0 GGADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128140738 1415922747 /nfs/dbraw/zinc/92/27/47/1415922747.db2.gz MQXKQLFEANYXEP-QAPCUYQASA-N 2 0 386.565 3.357 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000128218017 1415942407 /nfs/dbraw/zinc/94/24/07/1415942407.db2.gz HUDLXVBXVQUWAS-UHFFFAOYSA-N 2 0 388.515 3.330 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000128292992 1415955997 /nfs/dbraw/zinc/95/59/97/1415955997.db2.gz OWKCSKXGFSJOMI-WENLIBGGSA-N 2 0 396.579 3.165 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)[C@H](C)C1 ZINC000128496911 1416000317 /nfs/dbraw/zinc/00/03/17/1416000317.db2.gz YRUHEEPFDPYRKS-DENIHFKCSA-N 2 0 387.568 3.036 20 0 GGADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000128503902 1416001471 /nfs/dbraw/zinc/00/14/71/1416001471.db2.gz XYDSFNQJYKRMTL-UHFFFAOYSA-N 2 0 398.595 3.112 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCCC1 ZINC000128550728 1416011562 /nfs/dbraw/zinc/01/15/62/1416011562.db2.gz PJUZBQKXDWFXHQ-OAQYLSRUSA-N 2 0 381.520 3.324 20 0 GGADRP Cc1cc(C[NH2+]CCCN2CCC(O)CC2)cc(C)c1OCc1ccccn1 ZINC000128596450 1416021591 /nfs/dbraw/zinc/02/15/91/1416021591.db2.gz PRUAQYGRMOFKIZ-UHFFFAOYSA-N 2 0 383.536 3.214 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128661936 1416036241 /nfs/dbraw/zinc/03/62/41/1416036241.db2.gz AMBKKDPQGFCYPX-QFBILLFUSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662385 1416036595 /nfs/dbraw/zinc/03/65/95/1416036595.db2.gz AMBKKDPQGFCYPX-VQIMIIECSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128664213 1416037093 /nfs/dbraw/zinc/03/70/93/1416037093.db2.gz SMHPKZGNHDWJHU-VQIMIIECSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128663945 1416037187 /nfs/dbraw/zinc/03/71/87/1416037187.db2.gz SMHPKZGNHDWJHU-LPHOPBHVSA-N 2 0 377.529 3.131 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318601 1416190537 /nfs/dbraw/zinc/19/05/37/1416190537.db2.gz YRURMVKNXMEKCX-QZTJIDSGSA-N 2 0 378.586 3.114 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000129319924 1416191055 /nfs/dbraw/zinc/19/10/55/1416191055.db2.gz LRGOWOMDIVWLKL-QFBILLFUSA-N 2 0 380.964 3.316 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000129498233 1416218830 /nfs/dbraw/zinc/21/88/30/1416218830.db2.gz DECOJRKYUFDIKW-QFBILLFUSA-N 2 0 378.948 3.070 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000129497809 1416218922 /nfs/dbraw/zinc/21/89/22/1416218922.db2.gz DECOJRKYUFDIKW-LPHOPBHVSA-N 2 0 378.948 3.070 20 0 GGADRP C[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129594836 1416234462 /nfs/dbraw/zinc/23/44/62/1416234462.db2.gz QRTZKENKHXEOIW-NDNTWHODSA-N 2 0 382.556 3.102 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606679 1416236004 /nfs/dbraw/zinc/23/60/04/1416236004.db2.gz GMUABFYVVUMZGS-CVDCTZTESA-N 2 0 375.520 3.310 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000129983752 1416296468 /nfs/dbraw/zinc/29/64/68/1416296468.db2.gz ZDAIMFBMVKQLCS-IFMALSPDSA-N 2 0 390.616 3.403 20 0 GGADRP C[N@H+](C[C@H](O)COc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130098843 1416317536 /nfs/dbraw/zinc/31/75/36/1416317536.db2.gz XONNUXUJEQHRRQ-IBGZPJMESA-N 2 0 389.927 3.323 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000130191450 1416336409 /nfs/dbraw/zinc/33/64/09/1416336409.db2.gz PLEZWONLYMZITL-UHFFFAOYSA-N 2 0 388.515 3.350 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000130333415 1416359409 /nfs/dbraw/zinc/35/94/09/1416359409.db2.gz OTKCKSHSZMXZCB-OALUTQOASA-N 2 0 395.547 3.287 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3c(Cl)cnn3C)CC2)c1 ZINC000130391509 1416369981 /nfs/dbraw/zinc/36/99/81/1416369981.db2.gz UYZPNOLMTALRMD-UHFFFAOYSA-N 2 0 375.948 3.074 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(OC(F)F)c1 ZINC000130485449 1416386207 /nfs/dbraw/zinc/38/62/07/1416386207.db2.gz MFPOUVXMHWFFMO-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1OC(F)F ZINC000130484955 1416386448 /nfs/dbraw/zinc/38/64/48/1416386448.db2.gz ROJMTRSNUXCVJN-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000130651018 1416417313 /nfs/dbraw/zinc/41/73/13/1416417313.db2.gz AGJFEUWKMFHRJA-HXUWFJFHSA-N 2 0 392.563 3.267 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSc2ccccc2F)CC1 ZINC000130662865 1416419885 /nfs/dbraw/zinc/41/98/85/1416419885.db2.gz ZXDBPOJSPDUXIC-UHFFFAOYSA-N 2 0 395.588 3.334 20 0 GGADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130675184 1416422721 /nfs/dbraw/zinc/42/27/21/1416422721.db2.gz CNZWXFJCSUUPEL-HNNXBMFYSA-N 2 0 381.511 3.442 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000130673432 1416423082 /nfs/dbraw/zinc/42/30/82/1416423082.db2.gz ZEQXQTIJEZDBAC-UHFFFAOYSA-N 2 0 381.605 3.142 20 0 GGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000130700604 1416428172 /nfs/dbraw/zinc/42/81/72/1416428172.db2.gz FLOPVKBYYOCGMW-GOSISDBHSA-N 2 0 390.597 3.274 20 0 GGADRP Cc1ccccc1OCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130704290 1416429628 /nfs/dbraw/zinc/42/96/28/1416429628.db2.gz ZRHGEJVKBUBXID-UHFFFAOYSA-N 2 0 389.584 3.180 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000130739486 1416439303 /nfs/dbraw/zinc/43/93/03/1416439303.db2.gz UFJIKSGWEUCPGP-SFHLNBCPSA-N 2 0 376.589 3.013 20 0 GGADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000130825825 1416460925 /nfs/dbraw/zinc/46/09/25/1416460925.db2.gz HFVOFQMYFMOOPT-MAUKXSAKSA-N 2 0 384.927 3.113 20 0 GGADRP COc1ccccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000130908029 1416479509 /nfs/dbraw/zinc/47/95/09/1416479509.db2.gz KTBQOKVBEFPSCZ-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(N4CCOCC4)s3)CC2)CC1 ZINC000131085647 1416506584 /nfs/dbraw/zinc/50/65/84/1416506584.db2.gz LPUVOEMXDKLRHJ-UHFFFAOYSA-N 2 0 378.586 3.112 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000131132191 1416513655 /nfs/dbraw/zinc/51/36/55/1416513655.db2.gz LDHIGWIMDHMQOP-UHFFFAOYSA-N 2 0 384.524 3.223 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000131279519 1416534116 /nfs/dbraw/zinc/53/41/16/1416534116.db2.gz WSWUPBXIHRTHNZ-QZTJIDSGSA-N 2 0 381.586 3.388 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000131280964 1416534678 /nfs/dbraw/zinc/53/46/78/1416534678.db2.gz FFENARLFUJMVPK-IBGZPJMESA-N 2 0 395.613 3.248 20 0 GGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000131287207 1416535343 /nfs/dbraw/zinc/53/53/43/1416535343.db2.gz ZAHNVMDXDCYXOV-UHFFFAOYSA-N 2 0 381.911 3.325 20 0 GGADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000178575059 1429111229 /nfs/dbraw/zinc/11/12/29/1429111229.db2.gz LXPDMQJGJQKWGU-KRWDZBQOSA-N 2 0 386.540 3.069 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000131750622 1416611575 /nfs/dbraw/zinc/61/15/75/1416611575.db2.gz HQMUZSATZDJGQL-GOSISDBHSA-N 2 0 395.551 3.168 20 0 GGADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1NC(C)=O ZINC000131931808 1416653987 /nfs/dbraw/zinc/65/39/87/1416653987.db2.gz VNQIADXMGGSJTF-INIZCTEOSA-N 2 0 385.508 3.445 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000132051305 1416682785 /nfs/dbraw/zinc/68/27/85/1416682785.db2.gz ZKGLBHSHDBVBTK-KRWDZBQOSA-N 2 0 387.572 3.169 20 0 GGADRP CC(C)c1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000132277742 1416727729 /nfs/dbraw/zinc/72/77/29/1416727729.db2.gz HDOZPVWSNMAOCG-SFHVURJKSA-N 2 0 386.565 3.254 20 0 GGADRP COc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000132441045 1416760573 /nfs/dbraw/zinc/76/05/73/1416760573.db2.gz VPYJXWNZDKWQIO-DOTOQJQBSA-N 2 0 385.499 3.219 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132500076 1416773537 /nfs/dbraw/zinc/77/35/37/1416773537.db2.gz JBWPRUDLPFZXER-APWZRJJASA-N 2 0 387.597 3.436 20 0 GGADRP COC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000132504909 1416774762 /nfs/dbraw/zinc/77/47/62/1416774762.db2.gz QCDNLIFTCMAHAD-MOPGFXCFSA-N 2 0 387.490 3.255 20 0 GGADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132539553 1416781202 /nfs/dbraw/zinc/78/12/02/1416781202.db2.gz ZVQDTTFMMCHLQU-MAUKXSAKSA-N 2 0 383.964 3.280 20 0 GGADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132539756 1416781558 /nfs/dbraw/zinc/78/15/58/1416781558.db2.gz ZVQDTTFMMCHLQU-YJBOKZPZSA-N 2 0 383.964 3.280 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000132714975 1416807228 /nfs/dbraw/zinc/80/72/28/1416807228.db2.gz NUQLESAOVXMIIJ-UHFFFAOYSA-N 2 0 379.548 3.402 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000132724395 1416808323 /nfs/dbraw/zinc/80/83/23/1416808323.db2.gz XYWFWWHGPNCQBI-CRYYWNKWSA-N 2 0 386.561 3.232 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132809240 1416817499 /nfs/dbraw/zinc/81/74/99/1416817499.db2.gz CZRATIMIUWSYFW-IAGOWNOFSA-N 2 0 386.540 3.122 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132808684 1416817597 /nfs/dbraw/zinc/81/75/97/1416817597.db2.gz CZRATIMIUWSYFW-IRXDYDNUSA-N 2 0 386.540 3.122 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000132883286 1416826930 /nfs/dbraw/zinc/82/69/30/1416826930.db2.gz YKRHKCCUBLJVNZ-PBPGXSGUSA-N 2 0 390.547 3.066 20 0 GGADRP CN(CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000133000144 1416840364 /nfs/dbraw/zinc/84/03/64/1416840364.db2.gz HULBEJUELWVSDD-UHFFFAOYSA-N 2 0 386.506 3.191 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000133107512 1416852574 /nfs/dbraw/zinc/85/25/74/1416852574.db2.gz SYQKSBFYONRXKV-MNEFBYGVSA-N 2 0 385.474 3.009 20 0 GGADRP C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000133130137 1416855048 /nfs/dbraw/zinc/85/50/48/1416855048.db2.gz VWCZCJFJAWLYSW-JXFKEZNVSA-N 2 0 399.501 3.399 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133218566 1416866036 /nfs/dbraw/zinc/86/60/36/1416866036.db2.gz IQXTXACPYHAFAT-KRWDZBQOSA-N 2 0 385.508 3.175 20 0 GGADRP Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133309925 1416877325 /nfs/dbraw/zinc/87/73/25/1416877325.db2.gz XXOGBRMJQLJOSP-JOCHJYFZSA-N 2 0 397.563 3.055 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133423123 1416888250 /nfs/dbraw/zinc/88/82/50/1416888250.db2.gz ZFMQNMWOPPYGFW-AVRDEDQJSA-N 2 0 399.583 3.171 20 0 GGADRP CN(c1ccccc1C[NH2+]CC(=O)Nc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000133475178 1416893412 /nfs/dbraw/zinc/89/34/12/1416893412.db2.gz ZKHVXXQWVIKDKX-UHFFFAOYSA-N 2 0 384.499 3.084 20 0 GGADRP CN(c1ccccc1C[NH2+]CCC(=O)N1CCCCCC1)C1CC[NH+](C)CC1 ZINC000133488306 1416894849 /nfs/dbraw/zinc/89/48/49/1416894849.db2.gz WOOKCTGDUMBTOG-UHFFFAOYSA-N 2 0 386.584 3.099 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831224 1416971704 /nfs/dbraw/zinc/97/17/04/1416971704.db2.gz WPOCNBQBNWTUTD-MOPGFXCFSA-N 2 0 387.572 3.028 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000133883614 1416987738 /nfs/dbraw/zinc/98/77/38/1416987738.db2.gz NSDYFFLTWULFOZ-RBUKOAKNSA-N 2 0 387.572 3.027 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133887694 1416988628 /nfs/dbraw/zinc/98/86/28/1416988628.db2.gz LMJXNXBTQIAKHK-SFHVURJKSA-N 2 0 399.535 3.096 20 0 GGADRP C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133999114 1417007995 /nfs/dbraw/zinc/00/79/95/1417007995.db2.gz URNOUGREASSBSL-HTAPYJJXSA-N 2 0 386.561 3.499 20 0 GGADRP c1ccc(COc2ccccc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000134097220 1417021899 /nfs/dbraw/zinc/02/18/99/1417021899.db2.gz BBMVMLGLCHXCGZ-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134118258 1417024830 /nfs/dbraw/zinc/02/48/30/1417024830.db2.gz PGTNEYNTFRMBSJ-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)s3)c2)C1 ZINC000134301076 1417052419 /nfs/dbraw/zinc/05/24/19/1417052419.db2.gz VBMHSHAAMRYNJJ-SFHVURJKSA-N 2 0 384.549 3.008 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)ccc1OC ZINC000178733310 1429155865 /nfs/dbraw/zinc/15/58/65/1429155865.db2.gz ZBTFBLTWYAPKQH-LJQANCHMSA-N 2 0 385.508 3.097 20 0 GGADRP CS[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000134561147 1417087343 /nfs/dbraw/zinc/08/73/43/1417087343.db2.gz GBKMLCSPUTYFBC-HXUWFJFHSA-N 2 0 375.582 3.116 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000178739195 1429157744 /nfs/dbraw/zinc/15/77/44/1429157744.db2.gz VCNPGDCADNWOPN-NXHRZFHOSA-N 2 0 376.570 3.009 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134722079 1417116946 /nfs/dbraw/zinc/11/69/46/1417116946.db2.gz WUPGAIMMGJIYDJ-ROUUACIJSA-N 2 0 384.568 3.069 20 0 GGADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879762 1417138893 /nfs/dbraw/zinc/13/88/93/1417138893.db2.gz VNAUEJFOJUQDJA-LKUPVBHCSA-N 2 0 378.944 3.166 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000134914547 1417144035 /nfs/dbraw/zinc/14/40/35/1417144035.db2.gz ZJBJIUGEIKSXGV-WBVHZDCISA-N 2 0 376.545 3.407 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000134914605 1417144153 /nfs/dbraw/zinc/14/41/53/1417144153.db2.gz ZJBJIUGEIKSXGV-DOTOQJQBSA-N 2 0 376.545 3.407 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000134927725 1417146445 /nfs/dbraw/zinc/14/64/45/1417146445.db2.gz LQNMDIBWOMABAP-UHFFFAOYSA-N 2 0 398.526 3.351 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2F)CC1 ZINC000178761852 1429163012 /nfs/dbraw/zinc/16/30/12/1429163012.db2.gz ODSOJPOVLGWUEY-LJQANCHMSA-N 2 0 384.499 3.037 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000135032196 1417165299 /nfs/dbraw/zinc/16/52/99/1417165299.db2.gz BRSJVAHJXVYNCI-UHFFFAOYSA-N 2 0 398.526 3.483 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135140728 1417176787 /nfs/dbraw/zinc/17/67/87/1417176787.db2.gz QOYHWAVDTAALHG-ROUUACIJSA-N 2 0 392.563 3.445 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135140748 1417177296 /nfs/dbraw/zinc/17/72/96/1417177296.db2.gz QOYHWAVDTAALHG-QZTJIDSGSA-N 2 0 392.563 3.445 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000135161503 1417179762 /nfs/dbraw/zinc/17/97/62/1417179762.db2.gz IWXCGYZLQJUQKT-NRFANRHFSA-N 2 0 398.526 3.351 20 0 GGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135195989 1417185475 /nfs/dbraw/zinc/18/54/75/1417185475.db2.gz CHTCCSWZZZDARB-INIZCTEOSA-N 2 0 378.536 3.197 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135274323 1417200826 /nfs/dbraw/zinc/20/08/26/1417200826.db2.gz XLOKBXITFPBQSO-NSHGMRRFSA-N 2 0 393.547 3.060 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+](C)C)cc1 ZINC000135338422 1417209570 /nfs/dbraw/zinc/20/95/70/1417209570.db2.gz DSWGKSOHUZBKQY-OAQYLSRUSA-N 2 0 386.515 3.298 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1F ZINC000135388876 1417213555 /nfs/dbraw/zinc/21/35/55/1417213555.db2.gz OHDNLJQDZLLWAY-UHFFFAOYSA-N 2 0 378.536 3.343 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1F ZINC000135433787 1417219828 /nfs/dbraw/zinc/21/98/28/1417219828.db2.gz LMHRGQRUBRZZFO-UHFFFAOYSA-N 2 0 390.478 3.087 20 0 GGADRP CC1CC[NH+](CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000135579928 1417239766 /nfs/dbraw/zinc/23/97/66/1417239766.db2.gz JTWGIWXVVXJNHX-UHFFFAOYSA-N 2 0 386.540 3.172 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136047499 1417288145 /nfs/dbraw/zinc/28/81/45/1417288145.db2.gz OWUAPLPSCRBBPZ-AWEZNQCLSA-N 2 0 388.781 3.466 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000136209707 1417301668 /nfs/dbraw/zinc/30/16/68/1417301668.db2.gz PVGLGAPDRUJXPS-UHFFFAOYSA-N 2 0 398.526 3.483 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000136577207 1417328595 /nfs/dbraw/zinc/32/85/95/1417328595.db2.gz AQSKRCPLVHZAND-OALUTQOASA-N 2 0 386.584 3.317 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000136577248 1417328603 /nfs/dbraw/zinc/32/86/03/1417328603.db2.gz AQSKRCPLVHZAND-RTBURBONSA-N 2 0 386.584 3.317 20 0 GGADRP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000136607169 1417331777 /nfs/dbraw/zinc/33/17/77/1417331777.db2.gz UTAKKVRFGRNLMB-ROUUACIJSA-N 2 0 397.357 3.315 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136623573 1417332881 /nfs/dbraw/zinc/33/28/81/1417332881.db2.gz DWHPLMGEFJTLFD-SJLPKXTDSA-N 2 0 378.586 3.183 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136745202 1417343412 /nfs/dbraw/zinc/34/34/12/1417343412.db2.gz YZHAURPYADVYRF-IRLDBZIGSA-N 2 0 384.568 3.085 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000136813292 1417347465 /nfs/dbraw/zinc/34/74/65/1417347465.db2.gz RYCYZCUXZORAHA-BHIFYINESA-N 2 0 386.584 3.065 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000139064855 1417446804 /nfs/dbraw/zinc/44/68/04/1417446804.db2.gz YHKIATFDYZPOCZ-YLJYHZDGSA-N 2 0 391.556 3.252 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139912226 1417480236 /nfs/dbraw/zinc/48/02/36/1417480236.db2.gz GTFXXDLCLLLNOC-CTNGQTDRSA-N 2 0 395.551 3.234 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000140094183 1417488438 /nfs/dbraw/zinc/48/84/38/1417488438.db2.gz OIXCELUMRZSCRK-QFIPXVFZSA-N 2 0 380.536 3.212 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000141542640 1417543817 /nfs/dbraw/zinc/54/38/17/1417543817.db2.gz OGUJBKJKKFMGMH-UHFFFAOYSA-N 2 0 382.552 3.412 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000178845509 1429192600 /nfs/dbraw/zinc/19/26/00/1429192600.db2.gz WSBXJTPZILSLPT-REWPJTCUSA-N 2 0 377.532 3.244 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178847878 1429193715 /nfs/dbraw/zinc/19/37/15/1429193715.db2.gz GFQCHJMQTWWARX-GGAORHGYSA-N 2 0 396.579 3.441 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178847865 1429194049 /nfs/dbraw/zinc/19/40/49/1429194049.db2.gz GFQCHJMQTWWARX-FYYLOGMGSA-N 2 0 396.579 3.441 20 0 GGADRP CC(C)[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000145537726 1417690723 /nfs/dbraw/zinc/69/07/23/1417690723.db2.gz YOLUWMACCRUOEG-OAQYLSRUSA-N 2 0 388.625 3.236 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145703332 1417697694 /nfs/dbraw/zinc/69/76/94/1417697694.db2.gz IWALCJUMRMAURU-RBUKOAKNSA-N 2 0 388.625 3.236 20 0 GGADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000178876478 1429207198 /nfs/dbraw/zinc/20/71/98/1429207198.db2.gz FXKJRGMBXZNYFZ-LJQANCHMSA-N 2 0 380.536 3.111 20 0 GGADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)CC1 ZINC000178877262 1429208375 /nfs/dbraw/zinc/20/83/75/1429208375.db2.gz BAIJLWMLRRUBEY-UHFFFAOYSA-N 2 0 392.547 3.088 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000178879071 1429208773 /nfs/dbraw/zinc/20/87/73/1429208773.db2.gz WIUOVVDZZUVZDN-UYAOXDASSA-N 2 0 384.568 3.183 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000178879208 1429208783 /nfs/dbraw/zinc/20/87/83/1429208783.db2.gz IZHHUFVAQYNIGE-HSZRJFAPSA-N 2 0 390.531 3.044 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000178879092 1429208837 /nfs/dbraw/zinc/20/88/37/1429208837.db2.gz WIUOVVDZZUVZDN-QUCCMNQESA-N 2 0 384.568 3.183 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000178879080 1429208967 /nfs/dbraw/zinc/20/89/67/1429208967.db2.gz WIUOVVDZZUVZDN-ICSRJNTNSA-N 2 0 384.568 3.183 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000150229303 1417786930 /nfs/dbraw/zinc/78/69/30/1417786930.db2.gz OUEUHSGDUQXTOB-FQEVSTJZSA-N 2 0 386.584 3.320 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746052 1417796699 /nfs/dbraw/zinc/79/66/99/1417796699.db2.gz IXESIPMKEDIQKN-SFHVURJKSA-N 2 0 396.526 3.016 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000150764261 1417802655 /nfs/dbraw/zinc/80/26/55/1417802655.db2.gz IIUZWNFMGCPSFZ-FCHUYYIVSA-N 2 0 386.584 3.270 20 0 GGADRP CC[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)C ZINC000150788095 1417806999 /nfs/dbraw/zinc/80/69/99/1417806999.db2.gz KEYILTMAMCAPOR-UHFFFAOYSA-N 2 0 378.586 3.130 20 0 GGADRP CN(c1ccccc1C[NH2+]CCC(=O)Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000150896694 1417830065 /nfs/dbraw/zinc/83/00/65/1417830065.db2.gz BTHXJCNCXKVZEJ-UHFFFAOYSA-N 2 0 380.536 3.335 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150947704 1417841881 /nfs/dbraw/zinc/84/18/81/1417841881.db2.gz TXKVGTTVYQBOKD-GOSISDBHSA-N 2 0 389.588 3.237 20 0 GGADRP Cc1c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000150949604 1417842162 /nfs/dbraw/zinc/84/21/62/1417842162.db2.gz XDVIYGRSQKICBS-IBGZPJMESA-N 2 0 383.584 3.474 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000150986643 1417849840 /nfs/dbraw/zinc/84/98/40/1417849840.db2.gz ZFPGPTLJEYKXTN-QGZVFWFLSA-N 2 0 380.483 3.214 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000150986602 1417849963 /nfs/dbraw/zinc/84/99/63/1417849963.db2.gz ZFPGPTLJEYKXTN-KRWDZBQOSA-N 2 0 380.483 3.214 20 0 GGADRP Cc1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151387661 1417945334 /nfs/dbraw/zinc/94/53/34/1417945334.db2.gz YGTWXIOFPZJFSG-UHFFFAOYSA-N 2 0 389.341 3.194 20 0 GGADRP CN(c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C1CC[NH+](C)CC1 ZINC000151414566 1417957738 /nfs/dbraw/zinc/95/77/38/1417957738.db2.gz UXPIZLXSZMQBEP-DENIHFKCSA-N 2 0 389.609 3.361 20 0 GGADRP CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151424233 1417962431 /nfs/dbraw/zinc/96/24/31/1417962431.db2.gz COOLWBDBEUXYPP-IFMALSPDSA-N 2 0 384.568 3.167 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)cc2)CC1 ZINC000151602586 1418037277 /nfs/dbraw/zinc/03/72/77/1418037277.db2.gz MBPWQUJSFVONCE-UHFFFAOYSA-N 2 0 393.510 3.253 20 0 GGADRP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000151651812 1418050969 /nfs/dbraw/zinc/05/09/69/1418050969.db2.gz QEPFVXOZIRZXOO-PMACEKPBSA-N 2 0 379.589 3.037 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)cc2)CC1 ZINC000151970497 1418109105 /nfs/dbraw/zinc/10/91/05/1418109105.db2.gz JLADYCNFDZCAGG-UHFFFAOYSA-N 2 0 394.494 3.462 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000152097440 1418144851 /nfs/dbraw/zinc/14/48/51/1418144851.db2.gz ASBJPQRNFCQCEB-GGAORHGYSA-N 2 0 399.579 3.000 20 0 GGADRP CN(c1ccccc1C[NH2+]CCOc1ncccc1Cl)C1CC[NH+](C)CC1 ZINC000152103081 1418146009 /nfs/dbraw/zinc/14/60/09/1418146009.db2.gz JRULLBDKXIRHRR-UHFFFAOYSA-N 2 0 388.943 3.434 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214924 1418175236 /nfs/dbraw/zinc/17/52/36/1418175236.db2.gz NAYJCYLCNQCSRH-GCJKJVERSA-N 2 0 395.551 3.209 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000179248814 1429304615 /nfs/dbraw/zinc/30/46/15/1429304615.db2.gz MEHFFIBTVOJKDU-UHFFFAOYSA-N 2 0 395.975 3.409 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccccc1F ZINC000179389642 1429354592 /nfs/dbraw/zinc/35/45/92/1429354592.db2.gz OJOWQKGZFAWOFQ-UHFFFAOYSA-N 2 0 384.499 3.075 20 0 GGADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392427 1429355969 /nfs/dbraw/zinc/35/59/69/1429355969.db2.gz UODYUCODAWEFRK-SFHVURJKSA-N 2 0 398.526 3.464 20 0 GGADRP Cc1ccc(CNC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000179393965 1429356629 /nfs/dbraw/zinc/35/66/29/1429356629.db2.gz GPOWFQXHTFZXEP-UHFFFAOYSA-N 2 0 398.526 3.384 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCc2ccccc2C1 ZINC000179395274 1429357504 /nfs/dbraw/zinc/35/75/04/1429357504.db2.gz ZRZVUTBADUJYAZ-UHFFFAOYSA-N 2 0 392.547 3.205 20 0 GGADRP C[C@H](C(=O)NCc1cccs1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394359 1429357670 /nfs/dbraw/zinc/35/76/70/1429357670.db2.gz QFPAZDGDKRCACI-QGZVFWFLSA-N 2 0 386.565 3.386 20 0 GGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc3nccn32)c1)C1CCOCC1 ZINC000179423120 1429369366 /nfs/dbraw/zinc/36/93/66/1429369366.db2.gz ASGVBOVMDHEZDI-UHFFFAOYSA-N 2 0 394.519 3.114 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179430867 1429372863 /nfs/dbraw/zinc/37/28/63/1429372863.db2.gz VROAENJVGFSZER-UHFFFAOYSA-N 2 0 395.551 3.249 20 0 GGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179468409 1429385840 /nfs/dbraw/zinc/38/58/40/1429385840.db2.gz PLKHOJSRAZMLPF-HNNXBMFYSA-N 2 0 391.512 3.191 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496158 1429394866 /nfs/dbraw/zinc/39/48/66/1429394866.db2.gz LKZXQRITJCZYSQ-AUSIDOKSSA-N 2 0 395.547 3.469 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000152305370 1422068137 /nfs/dbraw/zinc/06/81/37/1422068137.db2.gz RORXHBPTWJBOLZ-MOPGFXCFSA-N 2 0 395.975 3.013 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152464543 1422110987 /nfs/dbraw/zinc/11/09/87/1422110987.db2.gz HYVRSGAJKXTAGW-KBPBESRZSA-N 2 0 385.430 3.376 20 0 GGADRP CC(C)[C@H](C(=O)Nc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c(F)cc1F)[NH+](C)C ZINC000152478597 1422114603 /nfs/dbraw/zinc/11/46/03/1422114603.db2.gz YJPGKJZXKPOGDJ-QZTJIDSGSA-N 2 0 398.498 3.014 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179747303 1429535579 /nfs/dbraw/zinc/53/55/79/1429535579.db2.gz WJNQJFMUZJYQIB-UHFFFAOYSA-N 2 0 395.551 3.071 20 0 GGADRP CCN(CC)C(=O)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755018 1429541040 /nfs/dbraw/zinc/54/10/40/1429541040.db2.gz BOACAZIEKMLTIG-QFIPXVFZSA-N 2 0 380.536 3.497 20 0 GGADRP CCCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C)on1 ZINC000179755360 1429541393 /nfs/dbraw/zinc/54/13/93/1429541393.db2.gz GWHYNSMVRRCFTB-IBGZPJMESA-N 2 0 385.512 3.382 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC000152961846 1422308983 /nfs/dbraw/zinc/30/89/83/1422308983.db2.gz XYYGBSXSVUANQB-OAQYLSRUSA-N 2 0 380.536 3.399 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153263965 1422427044 /nfs/dbraw/zinc/42/70/44/1422427044.db2.gz FDSKCDFVGSMRFW-OAQYLSRUSA-N 2 0 380.536 3.399 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000153574875 1422627380 /nfs/dbraw/zinc/62/73/80/1422627380.db2.gz ZZYWGJLJCOTDPF-APWZRJJASA-N 2 0 396.938 3.209 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000153616110 1422650399 /nfs/dbraw/zinc/65/03/99/1422650399.db2.gz GVYRJHCIJREZMV-FQEVSTJZSA-N 2 0 388.556 3.245 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000153672264 1422695886 /nfs/dbraw/zinc/69/58/86/1422695886.db2.gz NQSUWTHLAYVLIG-IBGZPJMESA-N 2 0 388.512 3.173 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000153688577 1422704167 /nfs/dbraw/zinc/70/41/67/1422704167.db2.gz XBSMDYHGYLIWRE-BWKNWUBXSA-N 3 0 392.591 3.439 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000153688662 1422704608 /nfs/dbraw/zinc/70/46/08/1422704608.db2.gz XBSMDYHGYLIWRE-OFVILXPXSA-N 3 0 392.591 3.439 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000153739515 1422731065 /nfs/dbraw/zinc/73/10/65/1422731065.db2.gz MGSVNSXKXURADJ-SFHVURJKSA-N 2 0 390.553 3.251 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153811622 1422773152 /nfs/dbraw/zinc/77/31/52/1422773152.db2.gz WHWRHEPONILEQM-WOJBJXKFSA-N 2 0 383.646 3.075 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)[C@H](C)C1 ZINC000153920316 1422811075 /nfs/dbraw/zinc/81/10/75/1422811075.db2.gz LSTIBNIBEJIPOR-DENIHFKCSA-N 2 0 387.568 3.036 20 0 GGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000153927253 1422812072 /nfs/dbraw/zinc/81/20/72/1422812072.db2.gz VSFFBIRYUPCHMB-HDICACEKSA-N 2 0 392.975 3.159 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000153970266 1422819285 /nfs/dbraw/zinc/81/92/85/1422819285.db2.gz NACWHUZRZVGBQD-UHFFFAOYSA-N 2 0 398.551 3.326 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000154052273 1422832109 /nfs/dbraw/zinc/83/21/09/1422832109.db2.gz WEXJIXIGHDVTCZ-OAQYLSRUSA-N 2 0 384.524 3.190 20 0 GGADRP CC[N@H+](CC(=O)Nc1c(C)cnn1[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000154054442 1422832724 /nfs/dbraw/zinc/83/27/24/1422832724.db2.gz SYQRJOFTMMBGAJ-HXUWFJFHSA-N 2 0 381.524 3.061 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cnn1-c1cc(C)ccc1C ZINC000154342727 1422875734 /nfs/dbraw/zinc/87/57/34/1422875734.db2.gz COZLMDGPFQQVGM-FQEVSTJZSA-N 2 0 383.584 3.476 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154395773 1422883491 /nfs/dbraw/zinc/88/34/91/1422883491.db2.gz IOCSBEJUKHSHBI-HXUWFJFHSA-N 2 0 384.524 3.017 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000154440237 1422888834 /nfs/dbraw/zinc/88/88/34/1422888834.db2.gz PFAGHFYBVZJOKV-UHFFFAOYSA-N 2 0 396.982 3.061 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000154460982 1422891749 /nfs/dbraw/zinc/89/17/49/1422891749.db2.gz ZNTCFLVYKKQTIG-GOSISDBHSA-N 2 0 387.572 3.039 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCC1)c1ccccc1 ZINC000154508067 1422898120 /nfs/dbraw/zinc/89/81/20/1422898120.db2.gz XYRGTWJNFCZURU-PKOBYXMFSA-N 2 0 375.582 3.204 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154530460 1422907007 /nfs/dbraw/zinc/90/70/07/1422907007.db2.gz BPDARNFGRWLNBV-INIZCTEOSA-N 2 0 383.964 3.426 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000154545874 1422918055 /nfs/dbraw/zinc/91/80/55/1422918055.db2.gz IVLXGCXGEACFLX-SFHVURJKSA-N 2 0 387.547 3.388 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000154590642 1422948388 /nfs/dbraw/zinc/94/83/88/1422948388.db2.gz WEIKYZDQXUIEKB-OAQYLSRUSA-N 2 0 383.511 3.416 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000154622735 1422967662 /nfs/dbraw/zinc/96/76/62/1422967662.db2.gz JBARKROPSMVNKU-UHFFFAOYSA-N 2 0 376.545 3.274 20 0 GGADRP Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000154648742 1422982798 /nfs/dbraw/zinc/98/27/98/1422982798.db2.gz NWAZIFRXGJCCNA-KRWDZBQOSA-N 2 0 390.553 3.421 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)CC1 ZINC000154663107 1422991547 /nfs/dbraw/zinc/99/15/47/1422991547.db2.gz XNBLGTXFCHKISH-UHFFFAOYSA-N 2 0 378.992 3.315 20 0 GGADRP C[C@H]([NH2+]CCCN1CCN(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000154663683 1422992447 /nfs/dbraw/zinc/99/24/47/1422992447.db2.gz PBHIIVJDPPWSAO-SFHVURJKSA-N 2 0 378.992 3.172 20 0 GGADRP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000154663791 1422992712 /nfs/dbraw/zinc/99/27/12/1422992712.db2.gz PBHIIVJDPPWSAO-GOSISDBHSA-N 2 0 378.992 3.172 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cc(F)cc4F)c2)C1 ZINC000154673006 1422996640 /nfs/dbraw/zinc/99/66/40/1422996640.db2.gz VGTABIGBMLZQBL-HTAPYJJXSA-N 2 0 399.485 3.439 20 0 GGADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154736337 1423016258 /nfs/dbraw/zinc/01/62/58/1423016258.db2.gz SWFRHLMXGGLLJG-YADHBBJMSA-N 2 0 390.568 3.017 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154881776 1423065914 /nfs/dbraw/zinc/06/59/14/1423065914.db2.gz CUYUSBCVIGLIEO-KRWDZBQOSA-N 2 0 389.565 3.286 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000154899285 1423073009 /nfs/dbraw/zinc/07/30/09/1423073009.db2.gz PPYRCNMYPODOER-JKSUJKDBSA-N 2 0 375.948 3.121 20 0 GGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154946831 1423088366 /nfs/dbraw/zinc/08/83/66/1423088366.db2.gz MYMOXAAJNNAECR-YADHBBJMSA-N 2 0 384.568 3.483 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155015295 1423116193 /nfs/dbraw/zinc/11/61/93/1423116193.db2.gz YOOBYWYGWZYFPH-WZONZLPQSA-N 2 0 385.527 3.344 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155015194 1423116951 /nfs/dbraw/zinc/11/69/51/1423116951.db2.gz YOOBYWYGWZYFPH-FDDCHVKYSA-N 2 0 385.527 3.344 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000155092422 1423156889 /nfs/dbraw/zinc/15/68/89/1423156889.db2.gz CJHGFZBZMDYFBS-OLZOCXBDSA-N 2 0 393.425 3.176 20 0 GGADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155142910 1423193212 /nfs/dbraw/zinc/19/32/12/1423193212.db2.gz UZCJKHXIVGVVOP-YOEHRIQHSA-N 2 0 384.362 3.221 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155150014 1423197373 /nfs/dbraw/zinc/19/73/73/1423197373.db2.gz XJSWSMMUAIHTIN-WOJBJXKFSA-N 2 0 388.556 3.467 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155150106 1423197756 /nfs/dbraw/zinc/19/77/56/1423197756.db2.gz XJSWSMMUAIHTIN-UXHICEINSA-N 2 0 388.556 3.467 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)c2)CC1 ZINC000155171501 1423209942 /nfs/dbraw/zinc/20/99/42/1423209942.db2.gz ZMOMCKJBSKCRBX-HSZRJFAPSA-N 2 0 399.579 3.178 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)c2)CC1 ZINC000155171412 1423210034 /nfs/dbraw/zinc/21/00/34/1423210034.db2.gz ZMOMCKJBSKCRBX-QHCPKHFHSA-N 2 0 399.579 3.178 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000179884300 1429624101 /nfs/dbraw/zinc/62/41/01/1429624101.db2.gz YFUHJZKMZGYSOE-IAGOWNOFSA-N 2 0 388.581 3.470 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000155425051 1423357784 /nfs/dbraw/zinc/35/77/84/1423357784.db2.gz BFTHSPNMHHOGRC-NDEPHWFRSA-N 2 0 399.604 3.424 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000155456120 1423371390 /nfs/dbraw/zinc/37/13/90/1423371390.db2.gz AFOYTBWJRBNSMN-GOSISDBHSA-N 2 0 389.503 3.282 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155560972 1423418456 /nfs/dbraw/zinc/41/84/56/1423418456.db2.gz CROWTQVMTAOMAQ-OALUTQOASA-N 2 0 389.588 3.237 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155568883 1423423299 /nfs/dbraw/zinc/42/32/99/1423423299.db2.gz DBNWHGCDERBGOV-UXHICEINSA-N 2 0 383.584 3.474 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000155588768 1423433659 /nfs/dbraw/zinc/43/36/59/1423433659.db2.gz VYNNBUFZNGFITG-ZIFCJYIRSA-N 2 0 381.586 3.146 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155613663 1423446283 /nfs/dbraw/zinc/44/62/83/1423446283.db2.gz AZKLBUCFSAIZEZ-KFKAGJAMSA-N 2 0 381.923 3.463 20 0 GGADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155657740 1423471611 /nfs/dbraw/zinc/47/16/11/1423471611.db2.gz PCHAVHJSECNBQZ-QAPCUYQASA-N 2 0 398.389 3.469 20 0 GGADRP C[N@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCSC1 ZINC000155666779 1423476313 /nfs/dbraw/zinc/47/63/13/1423476313.db2.gz USYNOOJSCNLMLF-SFHVURJKSA-N 2 0 396.000 3.106 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000155672616 1423480016 /nfs/dbraw/zinc/48/00/16/1423480016.db2.gz MYCJKPSOONNQGZ-AVRDEDQJSA-N 2 0 380.536 3.416 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1O ZINC000155674877 1423481255 /nfs/dbraw/zinc/48/12/55/1423481255.db2.gz LAHWUHSBBLJSTC-GOSISDBHSA-N 2 0 398.389 3.469 20 0 GGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000155774208 1423529116 /nfs/dbraw/zinc/52/91/16/1423529116.db2.gz YSKNEYKVJDIKPE-NVXWUHKLSA-N 2 0 385.346 3.432 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155793090 1423536394 /nfs/dbraw/zinc/53/63/94/1423536394.db2.gz FTDUKCZZFLUKPU-XMSQKQJNSA-N 2 0 384.568 3.308 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Cl)cc4cccnc43)ccn2)CC1 ZINC000155915919 1423592961 /nfs/dbraw/zinc/59/29/61/1423592961.db2.gz JONPULZSJMIYLV-UHFFFAOYSA-N 2 0 381.911 3.325 20 0 GGADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000156261856 1423748030 /nfs/dbraw/zinc/74/80/30/1423748030.db2.gz WUEZINWFDMAZGY-SFTDATJTSA-N 2 0 378.605 3.403 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156379013 1423801980 /nfs/dbraw/zinc/80/19/80/1423801980.db2.gz FBNZNZNVNPQDEM-FCHUYYIVSA-N 2 0 384.568 3.483 20 0 GGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156379382 1423802230 /nfs/dbraw/zinc/80/22/30/1423802230.db2.gz FBNZNZNVNPQDEM-YADHBBJMSA-N 2 0 384.568 3.483 20 0 GGADRP Cc1ccc2ncc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)n2c1 ZINC000156538909 1423825122 /nfs/dbraw/zinc/82/51/22/1423825122.db2.gz QNSMLPSNUZHPMY-QGZVFWFLSA-N 2 0 381.499 3.384 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccnc(Cl)c1 ZINC000156930483 1423888268 /nfs/dbraw/zinc/88/82/68/1423888268.db2.gz OTDOMDXIMMKKMJ-KXBFYZLASA-N 2 0 386.927 3.283 20 0 GGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000156958306 1423893091 /nfs/dbraw/zinc/89/30/91/1423893091.db2.gz SQSSSOKJRUNHFE-XLIONFOSSA-N 2 0 383.540 3.012 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000156981973 1423897136 /nfs/dbraw/zinc/89/71/36/1423897136.db2.gz HPSBKIFNONXLHC-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000157163314 1423941747 /nfs/dbraw/zinc/94/17/47/1423941747.db2.gz DSAQAHBCPOZICZ-GOSISDBHSA-N 2 0 389.565 3.076 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157175416 1423944930 /nfs/dbraw/zinc/94/49/30/1423944930.db2.gz DSSBYZJYDYNMDJ-UXHICEINSA-N 2 0 376.520 3.088 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322849 1423984550 /nfs/dbraw/zinc/98/45/50/1423984550.db2.gz FDRDUTBQHKWVCS-IEBWSBKVSA-N 2 0 380.602 3.408 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322702 1423984909 /nfs/dbraw/zinc/98/49/09/1423984909.db2.gz FDRDUTBQHKWVCS-MJGOQNOKSA-N 2 0 380.602 3.408 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322547 1423985043 /nfs/dbraw/zinc/98/50/43/1423985043.db2.gz FDRDUTBQHKWVCS-PKOBYXMFSA-N 2 0 380.602 3.408 20 0 GGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000157413593 1424006025 /nfs/dbraw/zinc/00/60/25/1424006025.db2.gz CJKDQYUHNURSAS-FQEVSTJZSA-N 2 0 376.589 3.301 20 0 GGADRP CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157500273 1424024644 /nfs/dbraw/zinc/02/46/44/1424024644.db2.gz RYEXNYWGCLECKK-UHFFFAOYSA-N 2 0 389.584 3.390 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000157567717 1424039762 /nfs/dbraw/zinc/03/97/62/1424039762.db2.gz LECATVBIUXPXON-IBGZPJMESA-N 2 0 390.547 3.067 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC ZINC000157638645 1424054044 /nfs/dbraw/zinc/05/40/44/1424054044.db2.gz VJOOILJKNDSEJV-MRXNPFEDSA-N 2 0 382.936 3.228 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC ZINC000157638794 1424055530 /nfs/dbraw/zinc/05/55/30/1424055530.db2.gz VJOOILJKNDSEJV-INIZCTEOSA-N 2 0 382.936 3.228 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157685620 1424064932 /nfs/dbraw/zinc/06/49/32/1424064932.db2.gz DAENXYVYUOBEHL-OALUTQOASA-N 2 0 398.551 3.098 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000157804486 1424091701 /nfs/dbraw/zinc/09/17/01/1424091701.db2.gz WIADMXQXUAHTOB-QHCPKHFHSA-N 2 0 385.527 3.353 20 0 GGADRP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000157813564 1424094129 /nfs/dbraw/zinc/09/41/29/1424094129.db2.gz XCTXALRGXARTFV-DHIUTWEWSA-N 2 0 376.633 3.277 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OC(F)F)c1 ZINC000157896004 1424115417 /nfs/dbraw/zinc/11/54/17/1424115417.db2.gz SPSZRIIVSVOGAK-MRXNPFEDSA-N 2 0 384.471 3.168 20 0 GGADRP Oc1ccc(N2CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000157930695 1424122534 /nfs/dbraw/zinc/12/25/34/1424122534.db2.gz QJCOUHKCFUQBID-UHFFFAOYSA-N 2 0 381.520 3.189 20 0 GGADRP c1nc(N2CCOCC2)sc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180038975 1429708561 /nfs/dbraw/zinc/70/85/61/1429708561.db2.gz RIIOJANOBNTJGL-UHFFFAOYSA-N 2 0 378.586 3.068 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000158115919 1424170909 /nfs/dbraw/zinc/17/09/09/1424170909.db2.gz TZZUEXJZYOLSLK-QGZVFWFLSA-N 2 0 394.535 3.493 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000158196959 1424192256 /nfs/dbraw/zinc/19/22/56/1424192256.db2.gz SDGRLIVKJFFPOB-MJGOQNOKSA-N 2 0 383.577 3.255 20 0 GGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457838 1424260659 /nfs/dbraw/zinc/26/06/59/1424260659.db2.gz NCBPRUZSBHLQPB-RXVVDRJESA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158458064 1424260860 /nfs/dbraw/zinc/26/08/60/1424260860.db2.gz NCBPRUZSBHLQPB-NQIIRXRSSA-N 2 0 387.572 3.027 20 0 GGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000158471116 1424265558 /nfs/dbraw/zinc/26/55/58/1424265558.db2.gz CPDNJCOIGOONJV-IBGZPJMESA-N 2 0 384.524 3.092 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC ZINC000158534951 1424281658 /nfs/dbraw/zinc/28/16/58/1424281658.db2.gz WNYAMCWETKMCLZ-GOSISDBHSA-N 2 0 398.551 3.482 20 0 GGADRP CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC ZINC000158535102 1424282401 /nfs/dbraw/zinc/28/24/01/1424282401.db2.gz WNYAMCWETKMCLZ-SFHVURJKSA-N 2 0 398.551 3.482 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000158574324 1424293783 /nfs/dbraw/zinc/29/37/83/1424293783.db2.gz KQKALBCKBIBKNP-IBGZPJMESA-N 2 0 376.545 3.370 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000158600747 1424298993 /nfs/dbraw/zinc/29/89/93/1424298993.db2.gz NXFSIDSGHLCBNZ-KURKYZTESA-N 2 0 381.586 3.003 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000158600594 1424299339 /nfs/dbraw/zinc/29/93/39/1424299339.db2.gz NXFSIDSGHLCBNZ-BZSNNMDCSA-N 2 0 381.586 3.003 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000158666280 1424313558 /nfs/dbraw/zinc/31/35/58/1424313558.db2.gz OBMYPBRUTYXLHW-BZSNNMDCSA-N 2 0 381.586 3.467 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158665985 1424314008 /nfs/dbraw/zinc/31/40/08/1424314008.db2.gz OBMYPBRUTYXLHW-KSZLIROESA-N 2 0 381.586 3.467 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158672143 1424315218 /nfs/dbraw/zinc/31/52/18/1424315218.db2.gz HVUGMWYUMUQRMH-YKSBVNFPSA-N 2 0 397.563 3.179 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)CC3 ZINC000180061015 1429718756 /nfs/dbraw/zinc/71/87/56/1429718756.db2.gz FCPLWLKYZZKYNJ-LJQANCHMSA-N 2 0 389.547 3.270 20 0 GGADRP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158854723 1424357851 /nfs/dbraw/zinc/35/78/51/1424357851.db2.gz VWBDTAHYUZUROA-WOIUINJBSA-N 2 0 384.568 3.420 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859518 1424358665 /nfs/dbraw/zinc/35/86/65/1424358665.db2.gz SOOVVZQSDYSEDI-QGZVFWFLSA-N 2 0 397.585 3.006 20 0 GGADRP Cc1cccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cc(=O)n12 ZINC000158912899 1424370728 /nfs/dbraw/zinc/37/07/28/1424370728.db2.gz JXVCTWWTEVDNLP-GOSISDBHSA-N 2 0 382.552 3.479 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159017339 1424395935 /nfs/dbraw/zinc/39/59/35/1424395935.db2.gz XNNRBIPBRIVHQE-NVXWUHKLSA-N 2 0 375.479 3.126 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1OC(F)F ZINC000159156434 1424430225 /nfs/dbraw/zinc/43/02/25/1424430225.db2.gz KNBQFOIEFHNZSY-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(=O)NC2CCCCC2)CC1 ZINC000180091901 1429733515 /nfs/dbraw/zinc/73/35/15/1429733515.db2.gz RTIHRGDQFPGXFT-UHFFFAOYSA-N 2 0 392.975 3.020 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000180092192 1429733655 /nfs/dbraw/zinc/73/36/55/1429733655.db2.gz POSKNYLHSZWTOF-FQEVSTJZSA-N 2 0 377.891 3.054 20 0 GGADRP CC(=O)NC1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000161617800 1424725175 /nfs/dbraw/zinc/72/51/75/1424725175.db2.gz SWMHMQPTRDSTRV-UHFFFAOYSA-N 2 0 387.568 3.095 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000180134028 1429752127 /nfs/dbraw/zinc/75/21/27/1429752127.db2.gz KSJGLAIRBAMQHD-UHFFFAOYSA-N 2 0 386.927 3.210 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)CC3 ZINC000180138671 1429754379 /nfs/dbraw/zinc/75/43/79/1429754379.db2.gz QGHZLDFCCMIFGF-LJQANCHMSA-N 2 0 389.547 3.270 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(Cl)c3)c2)C1 ZINC000162078128 1424814278 /nfs/dbraw/zinc/81/42/78/1424814278.db2.gz BFAVUEXKRBQGRF-GOSISDBHSA-N 2 0 389.902 3.466 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@](C)(O)c2cccs2)CC1 ZINC000180142086 1429756349 /nfs/dbraw/zinc/75/63/49/1429756349.db2.gz YIUOYBUWUJNUCV-LJQANCHMSA-N 2 0 379.957 3.151 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000162230552 1424829307 /nfs/dbraw/zinc/82/93/07/1424829307.db2.gz XQAQLMVXOIUMEG-IBGZPJMESA-N 2 0 382.552 3.337 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)nc(C)n1 ZINC000162253577 1424831518 /nfs/dbraw/zinc/83/15/18/1424831518.db2.gz UNMGOAOSGLALIL-GOSISDBHSA-N 2 0 397.567 3.353 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000162275024 1424833545 /nfs/dbraw/zinc/83/35/45/1424833545.db2.gz QVNUPXPOAOHWBX-HXUWFJFHSA-N 2 0 389.588 3.306 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000162275153 1424833557 /nfs/dbraw/zinc/83/35/57/1424833557.db2.gz QVNUPXPOAOHWBX-FQEVSTJZSA-N 2 0 389.588 3.306 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@](C)(O)c2ccsc2)CC1 ZINC000180142768 1429757565 /nfs/dbraw/zinc/75/75/65/1429757565.db2.gz BHLKVEZCZDIXJS-LJQANCHMSA-N 2 0 379.957 3.151 20 0 GGADRP COc1cc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1O ZINC000180136109 1429753031 /nfs/dbraw/zinc/75/30/31/1429753031.db2.gz RMVIZEJQKMPAKG-UHFFFAOYSA-N 2 0 389.927 3.138 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000162485589 1424858031 /nfs/dbraw/zinc/85/80/31/1424858031.db2.gz HYHXCVOIYOAOJX-INIZCTEOSA-N 2 0 375.948 3.122 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000162532842 1424862988 /nfs/dbraw/zinc/86/29/88/1424862988.db2.gz DUOVUCIAVIZQPT-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000162559762 1424866129 /nfs/dbraw/zinc/86/61/29/1424866129.db2.gz UGTGIUWDZVKYJP-CYBMUJFWSA-N 2 0 393.425 3.178 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000162571818 1424867599 /nfs/dbraw/zinc/86/75/99/1424867599.db2.gz VPRGHNUCWGYJSU-RDPSFJRHSA-N 2 0 397.563 3.006 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000162571943 1424867632 /nfs/dbraw/zinc/86/76/32/1424867632.db2.gz VPRGHNUCWGYJSU-YKSBVNFPSA-N 2 0 397.563 3.006 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000162599944 1424870364 /nfs/dbraw/zinc/87/03/64/1424870364.db2.gz BTOFXIHLRZKAIX-UHFFFAOYSA-N 2 0 398.507 3.294 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000162643433 1424875122 /nfs/dbraw/zinc/87/51/22/1424875122.db2.gz KSCBZFJKBDMKJZ-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162897840 1424901230 /nfs/dbraw/zinc/90/12/30/1424901230.db2.gz BHZGVROWCGIJNU-NRFANRHFSA-N 2 0 386.584 3.318 20 0 GGADRP FC(F)(F)CCN1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000180157073 1429768086 /nfs/dbraw/zinc/76/80/86/1429768086.db2.gz JLNNJUVLWCRXEQ-UHFFFAOYSA-N 2 0 377.495 3.028 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(F)c1 ZINC000163496592 1425008339 /nfs/dbraw/zinc/00/83/39/1425008339.db2.gz HXSOPQWMGHHRQD-HNNXBMFYSA-N 2 0 379.520 3.112 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000163505871 1425009295 /nfs/dbraw/zinc/00/92/95/1425009295.db2.gz XNJVOZHRAXPEPO-GOSISDBHSA-N 2 0 375.582 3.440 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000163519021 1425011678 /nfs/dbraw/zinc/01/16/78/1425011678.db2.gz RWQHVKLQSUTCEJ-PGRDOPGGSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000163518808 1425011970 /nfs/dbraw/zinc/01/19/70/1425011970.db2.gz RWQHVKLQSUTCEJ-AVRDEDQJSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163526356 1425012724 /nfs/dbraw/zinc/01/27/24/1425012724.db2.gz DAGKPFJXXNGBPR-MSOLQXFVSA-N 2 0 389.584 3.404 20 0 GGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163526248 1425012766 /nfs/dbraw/zinc/01/27/66/1425012766.db2.gz DAGKPFJXXNGBPR-ZWKOTPCHSA-N 2 0 389.584 3.404 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1N(C)C ZINC000163535719 1425013707 /nfs/dbraw/zinc/01/37/07/1425013707.db2.gz AXVYQYZBAHCIQO-INIZCTEOSA-N 2 0 392.563 3.169 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163545345 1425014804 /nfs/dbraw/zinc/01/48/04/1425014804.db2.gz UUEWLGQJUQJZIY-QGZVFWFLSA-N 2 0 375.557 3.363 20 0 GGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163539673 1425014857 /nfs/dbraw/zinc/01/48/57/1425014857.db2.gz RAZQSYBCZXXHRK-NRFANRHFSA-N 2 0 387.568 3.289 20 0 GGADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163540025 1425014945 /nfs/dbraw/zinc/01/49/45/1425014945.db2.gz OIWINKBCIWAFKA-QGZVFWFLSA-N 2 0 375.557 3.363 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000180158458 1429770154 /nfs/dbraw/zinc/77/01/54/1429770154.db2.gz OQMFDJCNOXUUBC-UZLBHIALSA-N 2 0 396.000 3.236 20 0 GGADRP COc1cccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000163639536 1425027819 /nfs/dbraw/zinc/02/78/19/1425027819.db2.gz NEHMLUJTSMFZET-FCHUYYIVSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163695095 1425035543 /nfs/dbraw/zinc/03/55/43/1425035543.db2.gz WIPFCARUUGYCHT-HYBUGGRVSA-N 2 0 397.563 3.351 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000163754824 1425041277 /nfs/dbraw/zinc/04/12/77/1425041277.db2.gz PSHHBDGWAPPYHJ-UHFFFAOYSA-N 2 0 387.572 3.060 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000163920406 1425057632 /nfs/dbraw/zinc/05/76/32/1425057632.db2.gz KQHGKHIZUZPCDS-GOSISDBHSA-N 2 0 376.508 3.499 20 0 GGADRP Cc1ncc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000163930468 1425058588 /nfs/dbraw/zinc/05/85/88/1425058588.db2.gz VGQKPEKUOGVJMV-LJQANCHMSA-N 2 0 381.568 3.342 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1cccc(OC)c1 ZINC000163968924 1425063391 /nfs/dbraw/zinc/06/33/91/1425063391.db2.gz PQAOGNLHERSWML-YADHBBJMSA-N 2 0 381.520 3.081 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000163988270 1425065444 /nfs/dbraw/zinc/06/54/44/1425065444.db2.gz WOLOKCZNPLDTES-UHFFFAOYSA-N 2 0 378.536 3.151 20 0 GGADRP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000164541182 1425122199 /nfs/dbraw/zinc/12/21/99/1425122199.db2.gz KACAMJURJAICCJ-LJQANCHMSA-N 2 0 375.875 3.260 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000164819212 1425144394 /nfs/dbraw/zinc/14/43/94/1425144394.db2.gz BVKWNKKFHGGGFD-FQEVSTJZSA-N 2 0 389.927 3.377 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000164918307 1425150607 /nfs/dbraw/zinc/15/06/07/1425150607.db2.gz QIZFRYJFKJQHFJ-NRFANRHFSA-N 2 0 382.552 3.096 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165284752 1425173323 /nfs/dbraw/zinc/17/33/23/1425173323.db2.gz WRNUNJOKJQXVLP-ZWKOTPCHSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579508 1425186481 /nfs/dbraw/zinc/18/64/81/1425186481.db2.gz HRFHGQVQMILADD-MAUKXSAKSA-N 2 0 384.490 3.030 20 0 GGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000165589855 1425187226 /nfs/dbraw/zinc/18/72/26/1425187226.db2.gz OBVXLMABZCGQNJ-CQSZACIVSA-N 2 0 381.446 3.042 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CN1C1CC1 ZINC000165597338 1425187625 /nfs/dbraw/zinc/18/76/25/1425187625.db2.gz SHEVDVRMPAJPNZ-MAUKXSAKSA-N 2 0 396.501 3.172 20 0 GGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000165601292 1425188002 /nfs/dbraw/zinc/18/80/02/1425188002.db2.gz ABQRSLOZCOKIBN-HNNXBMFYSA-N 2 0 385.474 3.362 20 0 GGADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165667314 1425191283 /nfs/dbraw/zinc/19/12/83/1425191283.db2.gz FFBKSUZSQDJAOV-RXVVDRJESA-N 2 0 387.568 3.459 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955573 1425203082 /nfs/dbraw/zinc/20/30/82/1425203082.db2.gz WEXYWENCSQWYAX-SJLPKXTDSA-N 2 0 383.964 3.184 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166220338 1425208528 /nfs/dbraw/zinc/20/85/28/1425208528.db2.gz DMMCZMUYHWEPMT-VQTJNVASSA-N 2 0 375.557 3.132 20 0 GGADRP FC(F)(F)c1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCOCC2)cc1 ZINC000166419926 1425212797 /nfs/dbraw/zinc/21/27/97/1425212797.db2.gz UCKDBRBPRAYJIE-ZCNNSNEGSA-N 2 0 397.485 3.295 20 0 GGADRP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166553174 1425214735 /nfs/dbraw/zinc/21/47/35/1425214735.db2.gz MCARPKYVMSLKKP-QFIPXVFZSA-N 2 0 380.536 3.027 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000167431779 1425226029 /nfs/dbraw/zinc/22/60/29/1425226029.db2.gz VXMYWWBRIHHVIR-IAGOWNOFSA-N 2 0 390.547 3.320 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C1CC[NH2+]CC1 ZINC000167433061 1425226105 /nfs/dbraw/zinc/22/61/05/1425226105.db2.gz SKUIKMVMYJICLU-MRXNPFEDSA-N 2 0 390.547 3.320 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000167844013 1425232379 /nfs/dbraw/zinc/23/23/79/1425232379.db2.gz ZJUVCAAGSBTJRK-JOCHJYFZSA-N 2 0 397.950 3.383 20 0 GGADRP Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000167907386 1425233644 /nfs/dbraw/zinc/23/36/44/1425233644.db2.gz CQAJMUXEZYPCEZ-HXUWFJFHSA-N 2 0 377.960 3.474 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000169257336 1425244641 /nfs/dbraw/zinc/24/46/41/1425244641.db2.gz JDNGJHHWTMUTMO-UHFFFAOYSA-N 2 0 383.584 3.365 20 0 GGADRP CCC[NH+](CCC)CCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000170823976 1425355076 /nfs/dbraw/zinc/35/50/76/1425355076.db2.gz FQVLITHWDISOBP-UHFFFAOYSA-N 2 0 389.588 3.380 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171056991 1425459236 /nfs/dbraw/zinc/45/92/36/1425459236.db2.gz GOZQZMOYMWYZKU-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171056997 1425459384 /nfs/dbraw/zinc/45/93/84/1425459384.db2.gz GOZQZMOYMWYZKU-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000171159051 1425516472 /nfs/dbraw/zinc/51/64/72/1425516472.db2.gz NHWHYQFWFGDLBW-UHFFFAOYSA-N 2 0 398.595 3.414 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)o1 ZINC000171239476 1425560735 /nfs/dbraw/zinc/56/07/35/1425560735.db2.gz SYRIZAYKVFPQFJ-SFHVURJKSA-N 2 0 376.545 3.287 20 0 GGADRP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171276756 1425589537 /nfs/dbraw/zinc/58/95/37/1425589537.db2.gz GKYMTZVJHCTPDV-HLNWXESRSA-N 2 0 385.552 3.352 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000171304534 1425605624 /nfs/dbraw/zinc/60/56/24/1425605624.db2.gz BARCFFFPPMYVBI-IAGOWNOFSA-N 2 0 393.959 3.490 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000171309278 1425608932 /nfs/dbraw/zinc/60/89/32/1425608932.db2.gz OUAHEDXOKZYRNF-NRFANRHFSA-N 2 0 384.568 3.024 20 0 GGADRP Cn1nccc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000171379654 1425649573 /nfs/dbraw/zinc/64/95/73/1425649573.db2.gz GAMYXZKJBXCARG-UHFFFAOYSA-N 2 0 395.473 3.131 20 0 GGADRP Cn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000171379290 1425649753 /nfs/dbraw/zinc/64/97/53/1425649753.db2.gz XCEQOIMGTXSFJF-UHFFFAOYSA-N 2 0 375.520 3.032 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000171527244 1425717586 /nfs/dbraw/zinc/71/75/86/1425717586.db2.gz OZPLXEFWDOOLFR-HSZRJFAPSA-N 2 0 379.548 3.477 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000171527248 1425717944 /nfs/dbraw/zinc/71/79/44/1425717944.db2.gz OZPLXEFWDOOLFR-QHCPKHFHSA-N 2 0 379.548 3.477 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171612062 1425758139 /nfs/dbraw/zinc/75/81/39/1425758139.db2.gz XSUISMLOXMPCDA-QHCPKHFHSA-N 2 0 398.595 3.353 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620335 1425760543 /nfs/dbraw/zinc/76/05/43/1425760543.db2.gz HJLYNEHWQLBVGU-OALUTQOASA-N 2 0 378.586 3.401 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000171768009 1425815266 /nfs/dbraw/zinc/81/52/66/1425815266.db2.gz QNNAQPRAFPAKMN-NRFANRHFSA-N 2 0 376.589 3.205 20 0 GGADRP CC(C)n1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000171841364 1425833178 /nfs/dbraw/zinc/83/31/78/1425833178.db2.gz NNBAOAGXAWEHNL-UHFFFAOYSA-N 2 0 386.540 3.243 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000171964766 1425863708 /nfs/dbraw/zinc/86/37/08/1425863708.db2.gz QOMLOOONNRPRTM-LJQANCHMSA-N 2 0 383.580 3.320 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172527731 1426071427 /nfs/dbraw/zinc/07/14/27/1426071427.db2.gz NRACLPBLRDZUDB-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172537257 1426077494 /nfs/dbraw/zinc/07/74/94/1426077494.db2.gz FJENWQQJLMEFJN-UHFFFAOYSA-N 2 0 398.595 3.353 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543030 1426080145 /nfs/dbraw/zinc/08/01/45/1426080145.db2.gz BELDZEWWDIFESJ-JOCHJYFZSA-N 2 0 384.568 3.483 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000172549384 1426082664 /nfs/dbraw/zinc/08/26/64/1426082664.db2.gz AIJQEDCDDDNDKZ-QFIPXVFZSA-N 2 0 398.595 3.483 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172582247 1426097512 /nfs/dbraw/zinc/09/75/12/1426097512.db2.gz KVTNVIQOTBOCQZ-JOCHJYFZSA-N 2 0 398.595 3.211 20 0 GGADRP C(CCN1CCC[C@@H]1C[NH+]1CCCC1)CC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000172655326 1426129380 /nfs/dbraw/zinc/12/93/80/1426129380.db2.gz DDJMYFPGJACHSS-DHIUTWEWSA-N 2 0 376.633 3.277 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000172683154 1426141199 /nfs/dbraw/zinc/14/11/99/1426141199.db2.gz GLZSZQASODWDSK-HXUWFJFHSA-N 2 0 399.583 3.087 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172694752 1426147317 /nfs/dbraw/zinc/14/73/17/1426147317.db2.gz ISNSWGOCIZZTDV-IBGZPJMESA-N 2 0 384.568 3.167 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000173141323 1426362206 /nfs/dbraw/zinc/36/22/06/1426362206.db2.gz WHVWJQXHUNZBDI-SFHVURJKSA-N 2 0 376.545 3.213 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000173339073 1426519046 /nfs/dbraw/zinc/51/90/46/1426519046.db2.gz AUOCBGQZVXBBRY-UHFFFAOYSA-N 2 0 399.535 3.259 20 0 GGADRP CSc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000173366598 1426539520 /nfs/dbraw/zinc/53/95/20/1426539520.db2.gz DMHCONFYSNNRBF-QGZVFWFLSA-N 2 0 384.549 3.193 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173387713 1426565752 /nfs/dbraw/zinc/56/57/52/1426565752.db2.gz UXKNAXKCBCYONX-QGZVFWFLSA-N 2 0 389.565 3.239 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173407452 1426590272 /nfs/dbraw/zinc/59/02/72/1426590272.db2.gz ILRUSESPLZCCGB-IBGZPJMESA-N 2 0 388.556 3.150 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446054 1426625753 /nfs/dbraw/zinc/62/57/53/1426625753.db2.gz INCRHTVDXMADGM-OAHLLOKOSA-N 2 0 392.341 3.385 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000173705747 1426827237 /nfs/dbraw/zinc/82/72/37/1426827237.db2.gz PBOPUVCOUSKBGA-LJQANCHMSA-N 2 0 397.947 3.012 20 0 GGADRP O=C1[C@@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786338 1426850995 /nfs/dbraw/zinc/85/09/95/1426850995.db2.gz NPLJJBZAFWEAKG-APWZRJJASA-N 2 0 393.478 3.201 20 0 GGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000173792878 1426852643 /nfs/dbraw/zinc/85/26/43/1426852643.db2.gz GPBZNZGYJKQCKR-HNNXBMFYSA-N 2 0 397.947 3.350 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173923829 1426893884 /nfs/dbraw/zinc/89/38/84/1426893884.db2.gz ZYZSIBKXAHZHKZ-GHTZIAJQSA-N 2 0 395.551 3.080 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000173930694 1426897397 /nfs/dbraw/zinc/89/73/97/1426897397.db2.gz YXEOUVFVQPEOOM-GOSISDBHSA-N 2 0 398.555 3.141 20 0 GGADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948847 1426905196 /nfs/dbraw/zinc/90/51/96/1426905196.db2.gz QTKDWMKNVFPITB-JOCHJYFZSA-N 2 0 387.568 3.173 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCC1)c1ccccc1 ZINC000173949309 1426905826 /nfs/dbraw/zinc/90/58/26/1426905826.db2.gz NDXHSUVLXDWNIE-GOSISDBHSA-N 2 0 398.555 3.230 20 0 GGADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000173951415 1426906706 /nfs/dbraw/zinc/90/67/06/1426906706.db2.gz TWADUGSJBALFPH-QHCPKHFHSA-N 2 0 399.579 3.147 20 0 GGADRP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173954370 1426907669 /nfs/dbraw/zinc/90/76/69/1426907669.db2.gz AHVDXTLTKIIKMF-UHFFFAOYSA-N 2 0 395.588 3.210 20 0 GGADRP Cc1ccc(N2CCC[C@H]([NH+]3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000173956733 1426908479 /nfs/dbraw/zinc/90/84/79/1426908479.db2.gz QTMPBMPGBHKLAF-QFIPXVFZSA-N 2 0 385.552 3.067 20 0 GGADRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000173957754 1426909114 /nfs/dbraw/zinc/90/91/14/1426909114.db2.gz CQMNZIMSZQWAOF-UHFFFAOYSA-N 2 0 384.467 3.373 20 0 GGADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000173957839 1426909355 /nfs/dbraw/zinc/90/93/55/1426909355.db2.gz VMKRQUJIARCSPW-LJQANCHMSA-N 2 0 379.589 3.133 20 0 GGADRP COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000173976982 1426921663 /nfs/dbraw/zinc/92/16/63/1426921663.db2.gz FALRUHRPWHKSCY-FQEVSTJZSA-N 2 0 381.520 3.478 20 0 GGADRP Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCCCCC3)C2=O)cn1 ZINC000174087403 1426995123 /nfs/dbraw/zinc/99/51/23/1426995123.db2.gz DOMMUXBNJJIQJW-JOCHJYFZSA-N 2 0 395.551 3.081 20 0 GGADRP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCCCCC3)C2=O)n1 ZINC000174087436 1426995174 /nfs/dbraw/zinc/99/51/74/1426995174.db2.gz ZJONGTWFUKSAFM-OAQYLSRUSA-N 2 0 395.551 3.081 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174118295 1427009694 /nfs/dbraw/zinc/00/96/94/1427009694.db2.gz FBIITPZYICRUPZ-ZWKOTPCHSA-N 2 0 376.570 3.012 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174131245 1427015060 /nfs/dbraw/zinc/01/50/60/1427015060.db2.gz PKUYEYPCTPMFTJ-QFIPXVFZSA-N 2 0 384.568 3.300 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174131229 1427015182 /nfs/dbraw/zinc/01/51/82/1427015182.db2.gz PKUYEYPCTPMFTJ-JOCHJYFZSA-N 2 0 384.568 3.300 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000174139392 1427018233 /nfs/dbraw/zinc/01/82/33/1427018233.db2.gz ZCWMSKZLYFLPLD-UHFFFAOYSA-N 2 0 392.613 3.231 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174157569 1427024734 /nfs/dbraw/zinc/02/47/34/1427024734.db2.gz QKGOZJJJFDKKKT-FCHUYYIVSA-N 2 0 386.584 3.067 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157071 1427024948 /nfs/dbraw/zinc/02/49/48/1427024948.db2.gz PPVQWHYHNHNDER-HKUYNNGSSA-N 2 0 378.586 3.258 20 0 GGADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2cc1C ZINC000174239446 1427065192 /nfs/dbraw/zinc/06/51/92/1427065192.db2.gz JCUBPJNCULEDPG-UHFFFAOYSA-N 2 0 384.520 3.487 20 0 GGADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]C3CCOCC3)CC2)c1 ZINC000174266144 1427076152 /nfs/dbraw/zinc/07/61/52/1427076152.db2.gz YITJLSWMPNNXML-UHFFFAOYSA-N 2 0 385.474 3.376 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174267602 1427076925 /nfs/dbraw/zinc/07/69/25/1427076925.db2.gz WOBLQIISGYJEGI-PMACEKPBSA-N 2 0 384.568 3.339 20 0 GGADRP Cc1ncsc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000174344289 1427112182 /nfs/dbraw/zinc/11/21/82/1427112182.db2.gz JNNQSISANBHKOX-UHFFFAOYSA-N 2 0 375.538 3.231 20 0 GGADRP CC(C)[NH+](CCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000174350466 1427115091 /nfs/dbraw/zinc/11/50/91/1427115091.db2.gz CMXJMRBZPYTNSD-WOJBJXKFSA-N 2 0 396.620 3.026 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000174448319 1427160829 /nfs/dbraw/zinc/16/08/29/1427160829.db2.gz SNTHVCMWIYWYQA-UHFFFAOYSA-N 2 0 398.016 3.496 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000174460422 1427167044 /nfs/dbraw/zinc/16/70/44/1427167044.db2.gz SFVCHDVQAAXZBM-OALUTQOASA-N 2 0 392.613 3.476 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000174519290 1427199322 /nfs/dbraw/zinc/19/93/22/1427199322.db2.gz XAFTXMHBMFPAOZ-OAQYLSRUSA-N 2 0 375.557 3.315 20 0 GGADRP C[NH+]1CCC(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000174535018 1427208790 /nfs/dbraw/zinc/20/87/90/1427208790.db2.gz YKWWFODIYNDVPT-UHFFFAOYSA-N 2 0 386.540 3.172 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)CC1 ZINC000174545360 1427215941 /nfs/dbraw/zinc/21/59/41/1427215941.db2.gz OLCWNIBGKMITPH-OAHLLOKOSA-N 2 0 399.366 3.034 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000174568184 1427228251 /nfs/dbraw/zinc/22/82/51/1427228251.db2.gz HXFMMUOFAYEEQR-OALUTQOASA-N 2 0 376.545 3.098 20 0 GGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568889 1427229320 /nfs/dbraw/zinc/22/93/20/1427229320.db2.gz XPXNHSZBASBEJE-NHCUHLMSSA-N 2 0 387.543 3.372 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174598545 1427249214 /nfs/dbraw/zinc/24/92/14/1427249214.db2.gz MRZJOBZJZYCJIP-IBGZPJMESA-N 2 0 387.572 3.085 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000174689425 1427311015 /nfs/dbraw/zinc/31/10/15/1427311015.db2.gz WMFFRIPTVICOCC-OAQYLSRUSA-N 2 0 386.584 3.413 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712845 1427324725 /nfs/dbraw/zinc/32/47/25/1427324725.db2.gz HFWIKQXYFIOPES-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000174712253 1427325045 /nfs/dbraw/zinc/32/50/45/1427325045.db2.gz QSBYUIUXWFUAGX-UHFFFAOYSA-N 2 0 380.536 3.008 20 0 GGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000174767513 1427355964 /nfs/dbraw/zinc/35/59/64/1427355964.db2.gz SZSZOAWXIVBJDQ-UHFFFAOYSA-N 2 0 387.568 3.178 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000174781021 1427363591 /nfs/dbraw/zinc/36/35/91/1427363591.db2.gz KXZGAEQPARQRER-HSZRJFAPSA-N 2 0 394.563 3.412 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000174787712 1427368489 /nfs/dbraw/zinc/36/84/89/1427368489.db2.gz AZJAHVMGLVPUTN-GOSISDBHSA-N 2 0 376.545 3.355 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174803759 1427378008 /nfs/dbraw/zinc/37/80/08/1427378008.db2.gz PFHGHKRQAXGNAB-IBGZPJMESA-N 2 0 386.584 3.459 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000174981891 1427478118 /nfs/dbraw/zinc/47/81/18/1427478118.db2.gz XDMCQTQCQHUHLP-VQTJNVASSA-N 2 0 389.588 3.145 20 0 GGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000175011744 1427496649 /nfs/dbraw/zinc/49/66/49/1427496649.db2.gz DWHLSQMDVGRNHF-RTBURBONSA-N 2 0 384.524 3.211 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000175038671 1427513291 /nfs/dbraw/zinc/51/32/91/1427513291.db2.gz NLYWNUONGBCRAZ-QFIPXVFZSA-N 2 0 387.568 3.082 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175233336 1427615825 /nfs/dbraw/zinc/61/58/25/1427615825.db2.gz CRUWQGRKFBBUSK-OAQYLSRUSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175237033 1427618898 /nfs/dbraw/zinc/61/88/98/1427618898.db2.gz MKQNTSVVLDMHNQ-IBGZPJMESA-N 2 0 384.568 3.167 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175237083 1427618952 /nfs/dbraw/zinc/61/89/52/1427618952.db2.gz HMRCQMVPZBXTGN-QFIPXVFZSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCCCC1 ZINC000175249220 1427625474 /nfs/dbraw/zinc/62/54/74/1427625474.db2.gz YDOSKFBNTQKYSY-ICSRJNTNSA-N 2 0 385.552 3.355 20 0 GGADRP C[C@H](CCNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000175301781 1427661259 /nfs/dbraw/zinc/66/12/59/1427661259.db2.gz HWHUPHYJDKUYAC-LJQANCHMSA-N 2 0 382.552 3.458 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000175354856 1427701224 /nfs/dbraw/zinc/70/12/24/1427701224.db2.gz JOWUIAXLMGRJDV-HXUWFJFHSA-N 2 0 386.584 3.413 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000175539942 1427808695 /nfs/dbraw/zinc/80/86/95/1427808695.db2.gz FBXVYSJUJMSQEL-SBHAEUEKSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175559540 1427815110 /nfs/dbraw/zinc/81/51/10/1427815110.db2.gz OHYYMBPUVQRBKW-UHFFFAOYSA-N 2 0 384.568 3.489 20 0 GGADRP COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000175579863 1427821136 /nfs/dbraw/zinc/82/11/36/1427821136.db2.gz IUOKVZAVGDOCIW-ZJOUEHCJSA-N 2 0 388.556 3.004 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175619607 1427834300 /nfs/dbraw/zinc/83/43/00/1427834300.db2.gz QVISQCLPHYTTOO-UHFFFAOYSA-N 2 0 378.605 3.451 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175632496 1427838348 /nfs/dbraw/zinc/83/83/48/1427838348.db2.gz STNZSXQEGHTJMS-NNWRFLSQSA-N 2 0 384.568 3.167 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175636011 1427839281 /nfs/dbraw/zinc/83/92/81/1427839281.db2.gz CLQPLYGOMNDZOB-BAGYTPMASA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000175643778 1427841988 /nfs/dbraw/zinc/84/19/88/1427841988.db2.gz NOWBNOKIPZBCGE-PMACEKPBSA-N 2 0 392.975 3.476 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000175658940 1427847646 /nfs/dbraw/zinc/84/76/46/1427847646.db2.gz HVRILFLYNYDBTC-FQEVSTJZSA-N 2 0 376.520 3.135 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175761706 1427882710 /nfs/dbraw/zinc/88/27/10/1427882710.db2.gz AWFDXQCWVUAEDB-WOJBJXKFSA-N 2 0 390.572 3.079 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000175767162 1427884671 /nfs/dbraw/zinc/88/46/71/1427884671.db2.gz CBWNYCRRNRGIPZ-OAQYLSRUSA-N 2 0 378.605 3.404 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000175770945 1427887235 /nfs/dbraw/zinc/88/72/35/1427887235.db2.gz CFPLMSZMDICGKT-FQEVSTJZSA-N 2 0 390.597 3.226 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000175910533 1427966312 /nfs/dbraw/zinc/96/63/12/1427966312.db2.gz WTLCIMZRWBZVNT-FXAWDEMLSA-N 2 0 390.572 3.108 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000175910550 1427966329 /nfs/dbraw/zinc/96/63/29/1427966329.db2.gz WTLCIMZRWBZVNT-YLJYHZDGSA-N 2 0 390.572 3.108 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176021669 1428031919 /nfs/dbraw/zinc/03/19/19/1428031919.db2.gz JCCWVLNQCAHTHL-UHFFFAOYSA-N 2 0 386.584 3.475 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176043094 1428045054 /nfs/dbraw/zinc/04/50/54/1428045054.db2.gz WWSHNKYOQSSWNL-MSOLQXFVSA-N 2 0 378.586 3.132 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176129121 1428102522 /nfs/dbraw/zinc/10/25/22/1428102522.db2.gz UZJMZEBCIXYLID-MSOLQXFVSA-N 2 0 378.586 3.086 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176140002 1428113476 /nfs/dbraw/zinc/11/34/76/1428113476.db2.gz ZMYITHFYAXNLRT-NRFANRHFSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000176146374 1428117175 /nfs/dbraw/zinc/11/71/75/1428117175.db2.gz VZNXZSORJDMRNS-OAQYLSRUSA-N 2 0 399.510 3.047 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000176189749 1428152920 /nfs/dbraw/zinc/15/29/20/1428152920.db2.gz LNHHLZOJEMMZAR-NRFANRHFSA-N 2 0 396.620 3.076 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC000180174655 1429780955 /nfs/dbraw/zinc/78/09/55/1429780955.db2.gz GIRDANKQDHKVFH-NRFANRHFSA-N 2 0 391.918 3.228 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000180281543 1429823982 /nfs/dbraw/zinc/82/39/82/1429823982.db2.gz YBRWBDTUVPWFAK-UHFFFAOYSA-N 2 0 399.583 3.204 20 0 GGADRP CC1CC[NH+](CCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180289431 1429826060 /nfs/dbraw/zinc/82/60/60/1429826060.db2.gz QUGXSBJHRORORW-UHFFFAOYSA-N 2 0 387.572 3.061 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180293560 1429827419 /nfs/dbraw/zinc/82/74/19/1429827419.db2.gz SBBXCTJRMCGYQC-HSZRJFAPSA-N 2 0 392.547 3.469 20 0 GGADRP CCC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000180340290 1429839891 /nfs/dbraw/zinc/83/98/91/1429839891.db2.gz HGFYGKUORCKLLN-QFIPXVFZSA-N 2 0 384.568 3.309 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180339188 1429839909 /nfs/dbraw/zinc/83/99/09/1429839909.db2.gz AWEXZXIHBRIBIB-UHFFFAOYSA-N 2 0 387.572 3.253 20 0 GGADRP C[C@@H]1CCC[C@@](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000180358407 1429845215 /nfs/dbraw/zinc/84/52/15/1429845215.db2.gz SCOOWXPGNXGQND-XMSQKQJNSA-N 2 0 387.572 3.108 20 0 GGADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000180383553 1429852309 /nfs/dbraw/zinc/85/23/09/1429852309.db2.gz DGFCJBQHFRQQIW-RBBKRZOGSA-N 2 0 384.568 3.167 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000180393537 1429855310 /nfs/dbraw/zinc/85/53/10/1429855310.db2.gz NCZQENKMNRQLLA-UHFFFAOYSA-N 2 0 395.547 3.195 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180396996 1429856574 /nfs/dbraw/zinc/85/65/74/1429856574.db2.gz QDWGSRDAHNSRTK-FQEVSTJZSA-N 2 0 387.572 3.061 20 0 GGADRP C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000180402078 1429858356 /nfs/dbraw/zinc/85/83/56/1429858356.db2.gz FGTWLNSZTIUCPE-SFHVURJKSA-N 2 0 389.588 3.306 20 0 GGADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000180448906 1429871701 /nfs/dbraw/zinc/87/17/01/1429871701.db2.gz PNUSRXOJIXHDBU-KRWDZBQOSA-N 2 0 385.508 3.315 20 0 GGADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180459395 1429874292 /nfs/dbraw/zinc/87/42/92/1429874292.db2.gz MKPKLOSEFBDULB-QFIPXVFZSA-N 2 0 386.561 3.419 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000180622156 1429937920 /nfs/dbraw/zinc/93/79/20/1429937920.db2.gz IRCDJQCALBXOCG-IBGZPJMESA-N 2 0 376.545 3.211 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000180633483 1429945209 /nfs/dbraw/zinc/94/52/09/1429945209.db2.gz CNBAEKGGFYSOPR-QZTJIDSGSA-N 2 0 376.589 3.429 20 0 GGADRP CCC[C@H](C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000180765490 1430027077 /nfs/dbraw/zinc/02/70/77/1430027077.db2.gz OYAQFSCOZVRNOV-DBVUQKKJSA-N 2 0 390.572 3.263 20 0 GGADRP CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000180776438 1430033005 /nfs/dbraw/zinc/03/30/05/1430033005.db2.gz AFSVTPXTWSNLEY-GHTZIAJQSA-N 2 0 397.567 3.299 20 0 GGADRP COCCOc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796948 1430045513 /nfs/dbraw/zinc/04/55/13/1430045513.db2.gz HDVBVZIWUGWYFA-UHFFFAOYSA-N 2 0 376.541 3.036 20 0 GGADRP CCN(CC)c1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000180797837 1430046488 /nfs/dbraw/zinc/04/64/88/1430046488.db2.gz ZJZODMXVDVDXFQ-UHFFFAOYSA-N 2 0 380.602 3.314 20 0 GGADRP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1CC(F)(F)F ZINC000180834766 1430062906 /nfs/dbraw/zinc/06/29/06/1430062906.db2.gz QYLGJHHCJWERLB-QGZVFWFLSA-N 2 0 398.517 3.285 20 0 GGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000180837777 1430064640 /nfs/dbraw/zinc/06/46/40/1430064640.db2.gz ZTQVCTODZXLDPH-OTGCGEFBSA-N 2 0 395.588 3.180 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000180934077 1430122942 /nfs/dbraw/zinc/12/29/42/1430122942.db2.gz IWYKZRBZNKLQAU-UHFFFAOYSA-N 2 0 375.557 3.100 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CC2 ZINC000180974362 1430145680 /nfs/dbraw/zinc/14/56/80/1430145680.db2.gz ALUQRGYUZKKCLB-HSZRJFAPSA-N 2 0 393.531 3.298 20 0 GGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180975428 1430146034 /nfs/dbraw/zinc/14/60/34/1430146034.db2.gz ZAKMWSWANGHTCB-GOSISDBHSA-N 2 0 383.511 3.372 20 0 GGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000180975380 1430146405 /nfs/dbraw/zinc/14/64/05/1430146405.db2.gz QPQJTVBMTKIVMI-IBGZPJMESA-N 2 0 398.576 3.444 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000180975146 1430146449 /nfs/dbraw/zinc/14/64/49/1430146449.db2.gz PSKUDSJHNNXXKW-SFHVURJKSA-N 2 0 393.531 3.298 20 0 GGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996601 1430157842 /nfs/dbraw/zinc/15/78/42/1430157842.db2.gz GQQUNOFCTMLCJC-ZWKOTPCHSA-N 2 0 383.536 3.268 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000180996463 1430158110 /nfs/dbraw/zinc/15/81/10/1430158110.db2.gz FGLVWELAWGRHBA-IBGZPJMESA-N 2 0 387.524 3.444 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000180997629 1430158538 /nfs/dbraw/zinc/15/85/38/1430158538.db2.gz BIFVLHNQGUYKSI-SFHVURJKSA-N 2 0 391.519 3.015 20 0 GGADRP C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000180996791 1430158641 /nfs/dbraw/zinc/15/86/41/1430158641.db2.gz YLFDPHXVTPEZJS-HNNXBMFYSA-N 2 0 386.565 3.164 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000181000018 1430160162 /nfs/dbraw/zinc/16/01/62/1430160162.db2.gz NWZUQQCERFUJRD-ZDUSSCGKSA-N 2 0 379.426 3.246 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000180999568 1430160397 /nfs/dbraw/zinc/16/03/97/1430160397.db2.gz LDOSPGSXKOOMIB-FQEVSTJZSA-N 2 0 385.483 3.121 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC3 ZINC000181034915 1430178424 /nfs/dbraw/zinc/17/84/24/1430178424.db2.gz OCGGAVNNMXRQQE-GOSISDBHSA-N 2 0 378.520 3.459 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000181086413 1430204748 /nfs/dbraw/zinc/20/47/48/1430204748.db2.gz LQMPWHXMEPCGJN-OAQYLSRUSA-N 2 0 399.514 3.039 20 0 GGADRP C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181151882 1430228615 /nfs/dbraw/zinc/22/86/15/1430228615.db2.gz QXOLVLABQUEFMP-GOSISDBHSA-N 2 0 397.519 3.093 20 0 GGADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCN3c4ccccc4OCC3=O)CC2)C1 ZINC000181154319 1430229659 /nfs/dbraw/zinc/22/96/59/1430229659.db2.gz SSXDUKPAFLZOLD-UYAOXDASSA-N 2 0 385.552 3.435 20 0 GGADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCN3c4ccccc4OCC3=O)CC2)C1 ZINC000181154275 1430230049 /nfs/dbraw/zinc/23/00/49/1430230049.db2.gz SSXDUKPAFLZOLD-QUCCMNQESA-N 2 0 385.552 3.435 20 0 GGADRP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000181288142 1430263522 /nfs/dbraw/zinc/26/35/22/1430263522.db2.gz MIHYFWXEMVZHRQ-YLJYHZDGSA-N 2 0 397.519 3.092 20 0 GGADRP O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181369166 1430282856 /nfs/dbraw/zinc/28/28/56/1430282856.db2.gz ZJZYRCIPJPFLLD-LJQANCHMSA-N 2 0 383.536 3.261 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411063 1430291135 /nfs/dbraw/zinc/29/11/35/1430291135.db2.gz ANWHWFBBCHEZRV-WTNAPCKOSA-N 2 0 385.552 3.232 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418540 1430293861 /nfs/dbraw/zinc/29/38/61/1430293861.db2.gz QREDDBADLDBPQS-HBGVWJBISA-N 2 0 387.524 3.062 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000181518876 1430314113 /nfs/dbraw/zinc/31/41/13/1430314113.db2.gz QBPCILDHEGQLQQ-ZWKOTPCHSA-N 2 0 391.556 3.379 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181624759 1430329942 /nfs/dbraw/zinc/32/99/42/1430329942.db2.gz VHHAPXRECZNTPW-FRQCXROJSA-N 2 0 387.474 3.395 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000181630688 1430331078 /nfs/dbraw/zinc/33/10/78/1430331078.db2.gz CIZJMILFTGXFAJ-GHTZIAJQSA-N 2 0 385.527 3.222 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000181635714 1430331958 /nfs/dbraw/zinc/33/19/58/1430331958.db2.gz NWWPBNOVQGUBDM-ZHRRBRCNSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000181635734 1430332038 /nfs/dbraw/zinc/33/20/38/1430332038.db2.gz NWWPBNOVQGUBDM-AOMKIAJQSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)CC1 ZINC000181642584 1430333449 /nfs/dbraw/zinc/33/34/49/1430333449.db2.gz WWBMAKZRUPCZRI-SFHVURJKSA-N 2 0 392.563 3.264 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000181643882 1430333703 /nfs/dbraw/zinc/33/37/03/1430333703.db2.gz FHMYZQUUBQUGMK-UZUQRXQVSA-N 2 0 396.510 3.223 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000181643901 1430333768 /nfs/dbraw/zinc/33/37/68/1430333768.db2.gz FHMYZQUUBQUGMK-GAJHUEQPSA-N 2 0 396.510 3.223 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@@H](C)O1 ZINC000181675806 1430339827 /nfs/dbraw/zinc/33/98/27/1430339827.db2.gz PYTWQHZOZVWVBQ-RTBURBONSA-N 2 0 393.616 3.092 20 0 GGADRP CC(C)(C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000181782301 1430359035 /nfs/dbraw/zinc/35/90/35/1430359035.db2.gz NHDANPLSBZCXJL-OAQYLSRUSA-N 2 0 379.548 3.451 20 0 GGADRP CN(c1ccccc1C[NH2+][C@H]1CCN(c2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000181990224 1430392688 /nfs/dbraw/zinc/39/26/88/1430392688.db2.gz SULMOWCMOINXEK-IBGZPJMESA-N 2 0 397.542 3.120 20 0 GGADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000182069662 1430405579 /nfs/dbraw/zinc/40/55/79/1430405579.db2.gz UGIGOCMONFEJHG-LJQANCHMSA-N 2 0 385.552 3.236 20 0 GGADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000182069684 1430405599 /nfs/dbraw/zinc/40/55/99/1430405599.db2.gz UGIGOCMONFEJHG-IBGZPJMESA-N 2 0 385.552 3.236 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182215709 1430431330 /nfs/dbraw/zinc/43/13/30/1430431330.db2.gz UVGVCJCOQTVOEM-IBGZPJMESA-N 2 0 389.584 3.443 20 0 GGADRP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226131 1430433016 /nfs/dbraw/zinc/43/30/16/1430433016.db2.gz VMQMKTVBIYIECV-HHXXYDBFSA-N 2 0 398.469 3.394 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000182225444 1430433037 /nfs/dbraw/zinc/43/30/37/1430433037.db2.gz QAPAYXJMDIJOIR-FDDCHVKYSA-N 2 0 391.519 3.075 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235415 1430434672 /nfs/dbraw/zinc/43/46/72/1430434672.db2.gz BRWLWVHTOQOPDS-NWBLWUIWSA-N 2 0 386.561 3.232 20 0 GGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c(C)n2n1 ZINC000182244564 1430436075 /nfs/dbraw/zinc/43/60/75/1430436075.db2.gz YJXJGXLQASWXJB-DYESRHJHSA-N 2 0 393.535 3.154 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263237 1430439318 /nfs/dbraw/zinc/43/93/18/1430439318.db2.gz GPMUIOXNDBGDNF-JTSKRJEESA-N 2 0 395.503 3.061 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272530 1430440712 /nfs/dbraw/zinc/44/07/12/1430440712.db2.gz AUYNSLLSKHZKKK-MBSDFSHPSA-N 2 0 393.531 3.231 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182271982 1430440896 /nfs/dbraw/zinc/44/08/96/1430440896.db2.gz KULAYPASGQARJV-JTSKRJEESA-N 2 0 395.503 3.061 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182302357 1430445048 /nfs/dbraw/zinc/44/50/48/1430445048.db2.gz SGUIEGBXNZQKMC-RBBKRZOGSA-N 2 0 384.568 3.085 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000182324796 1430448794 /nfs/dbraw/zinc/44/87/94/1430448794.db2.gz PEXGNOWROJCIOC-KRWDZBQOSA-N 2 0 388.474 3.499 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182363509 1430453732 /nfs/dbraw/zinc/45/37/32/1430453732.db2.gz BRESNHLXKXOMQT-MDKPJZGXSA-N 2 0 390.547 3.381 20 0 GGADRP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182376165 1430455341 /nfs/dbraw/zinc/45/53/41/1430455341.db2.gz AYSAREHKFUXIAH-FPOVZHCZSA-N 2 0 386.584 3.461 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182401803 1430460601 /nfs/dbraw/zinc/46/06/01/1430460601.db2.gz QDWXSJOPDGNYOC-TZIWHRDSSA-N 2 0 398.595 3.387 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182443081 1430468494 /nfs/dbraw/zinc/46/84/94/1430468494.db2.gz RLJIASFWSZFHCM-SFTDATJTSA-N 2 0 378.582 3.364 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182443060 1430468666 /nfs/dbraw/zinc/46/86/66/1430468666.db2.gz RLJIASFWSZFHCM-RTWAWAEBSA-N 2 0 378.582 3.364 20 0 GGADRP COc1ccccc1CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000182469070 1430472783 /nfs/dbraw/zinc/47/27/83/1430472783.db2.gz MMESKSPIRURANW-UHFFFAOYSA-N 2 0 381.564 3.377 20 0 GGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182471439 1430473351 /nfs/dbraw/zinc/47/33/51/1430473351.db2.gz NCYSACUVMIKOTD-IRFCIJBXSA-N 2 0 398.595 3.385 20 0 GGADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000182503056 1430479778 /nfs/dbraw/zinc/47/97/78/1430479778.db2.gz RBKPSZOOLGXXPH-UHFFFAOYSA-N 2 0 385.508 3.067 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000182537575 1430486108 /nfs/dbraw/zinc/48/61/08/1430486108.db2.gz TZMMTPJVQLDYJM-SLFFLAALSA-N 2 0 396.620 3.026 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182631719 1430505905 /nfs/dbraw/zinc/50/59/05/1430505905.db2.gz OPXWRVSHHLIMLG-AQNXPRMDSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633504 1430506243 /nfs/dbraw/zinc/50/62/43/1430506243.db2.gz OEXPTPMYNZOSEU-UYAOXDASSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633456 1430506338 /nfs/dbraw/zinc/50/63/38/1430506338.db2.gz OEXPTPMYNZOSEU-ICSRJNTNSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000182634768 1430506547 /nfs/dbraw/zinc/50/65/47/1430506547.db2.gz NLIPBBZQRHPIHI-HZPDHXFCSA-N 2 0 379.520 3.348 20 0 GGADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000182634712 1430506588 /nfs/dbraw/zinc/50/65/88/1430506588.db2.gz NLIPBBZQRHPIHI-HOTGVXAUSA-N 2 0 379.520 3.348 20 0 GGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182689835 1430518129 /nfs/dbraw/zinc/51/81/29/1430518129.db2.gz GIRVAHAKTUDLJP-PKOBYXMFSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@H](CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000182712852 1430524619 /nfs/dbraw/zinc/52/46/19/1430524619.db2.gz YSCGEGDFXBWAHU-IFMALSPDSA-N 2 0 386.584 3.414 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1C[NH+]1CCCCC1 ZINC000182776533 1430538217 /nfs/dbraw/zinc/53/82/17/1430538217.db2.gz GBZAODOCQGVHHB-JXFKEZNVSA-N 2 0 383.540 3.247 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)ccc1OC ZINC000182855531 1430554430 /nfs/dbraw/zinc/55/44/30/1430554430.db2.gz LKGDUAZHFBTCQC-GBESFXJTSA-N 2 0 377.573 3.297 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)ccc1OC ZINC000182855573 1430554449 /nfs/dbraw/zinc/55/44/49/1430554449.db2.gz LKGDUAZHFBTCQC-CEXWTWQISA-N 2 0 377.573 3.297 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182866016 1430556686 /nfs/dbraw/zinc/55/66/86/1430556686.db2.gz SVFAHKCXOPJFRL-MOPGFXCFSA-N 2 0 390.572 3.314 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869707 1430557865 /nfs/dbraw/zinc/55/78/65/1430557865.db2.gz GBHLWHCWLAZWHG-CTNGQTDRSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869650 1430558153 /nfs/dbraw/zinc/55/81/53/1430558153.db2.gz GBHLWHCWLAZWHG-PZJWPPBQSA-N 2 0 386.584 3.413 20 0 GGADRP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000182884752 1430561862 /nfs/dbraw/zinc/56/18/62/1430561862.db2.gz ROIHWAOJMNLHLO-PMACEKPBSA-N 2 0 399.000 3.497 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914026 1430570245 /nfs/dbraw/zinc/57/02/45/1430570245.db2.gz TUBUGNKQHRJHOS-ROUUACIJSA-N 2 0 392.613 3.474 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182925476 1430573622 /nfs/dbraw/zinc/57/36/22/1430573622.db2.gz BKKJYRKKZQBYKF-PSHVLCQKSA-N 2 0 388.600 3.298 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000182956002 1430580313 /nfs/dbraw/zinc/58/03/13/1430580313.db2.gz GXWYQPOKYIAAMN-UHFFFAOYSA-N 2 0 385.527 3.474 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182967596 1430582211 /nfs/dbraw/zinc/58/22/11/1430582211.db2.gz XCTCBPMWUXWXLV-IBGZPJMESA-N 2 0 389.584 3.443 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182967611 1430582473 /nfs/dbraw/zinc/58/24/73/1430582473.db2.gz XCTCBPMWUXWXLV-LJQANCHMSA-N 2 0 389.584 3.443 20 0 GGADRP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969912 1430582980 /nfs/dbraw/zinc/58/29/80/1430582980.db2.gz NZLULUZVOJKTFF-UHFFFAOYSA-N 2 0 382.552 3.256 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000182983829 1430585228 /nfs/dbraw/zinc/58/52/28/1430585228.db2.gz ISMBCHJVLISKIC-XMMPIXPASA-N 2 0 399.579 3.078 20 0 GGADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccccc1Cl ZINC000182988874 1430586552 /nfs/dbraw/zinc/58/65/52/1430586552.db2.gz LOQVITLEHOJXAL-UHFFFAOYSA-N 2 0 393.959 3.493 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183000159 1430589130 /nfs/dbraw/zinc/58/91/30/1430589130.db2.gz UXDZFJVZWNGRBG-VQTJNVASSA-N 2 0 389.584 3.300 20 0 GGADRP COC[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000183078794 1430607451 /nfs/dbraw/zinc/60/74/51/1430607451.db2.gz AKQKKKKLOOZOSP-JOCHJYFZSA-N 2 0 390.474 3.399 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128741 1430623130 /nfs/dbraw/zinc/62/31/30/1430623130.db2.gz GVZHGFXDBFAOOF-CCDWMCETSA-N 3 0 398.639 3.294 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183189145 1430643251 /nfs/dbraw/zinc/64/32/51/1430643251.db2.gz YTOCVRUREQPYNL-JENIJYKNSA-N 2 0 393.597 3.241 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226645 1430652704 /nfs/dbraw/zinc/65/27/04/1430652704.db2.gz IXKSMVQWHCVYTI-IAGOWNOFSA-N 2 0 377.529 3.275 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226720 1430653159 /nfs/dbraw/zinc/65/31/59/1430653159.db2.gz XKBKRVZUAPKYFD-IRXDYDNUSA-N 2 0 375.513 3.044 20 0 GGADRP Cn1ccnc1[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000183250766 1430659536 /nfs/dbraw/zinc/65/95/36/1430659536.db2.gz CWTRAYDXRKFVSF-JOCHJYFZSA-N 2 0 381.568 3.059 20 0 GGADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000183326821 1430680349 /nfs/dbraw/zinc/68/03/49/1430680349.db2.gz FQZKRXBVISGCOG-DEOSSOPVSA-N 2 0 381.564 3.474 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183369608 1430692587 /nfs/dbraw/zinc/69/25/87/1430692587.db2.gz CFKUCKHZRWFIER-SFHVURJKSA-N 2 0 376.541 3.121 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)CC1 ZINC000183376443 1430694752 /nfs/dbraw/zinc/69/47/52/1430694752.db2.gz SJVVISBRHXMHLZ-WCHWRFHJSA-N 2 0 376.589 3.155 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000183387216 1430697686 /nfs/dbraw/zinc/69/76/86/1430697686.db2.gz QMERQWTXOSWIHB-MRXNPFEDSA-N 2 0 383.492 3.042 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183467247 1430718880 /nfs/dbraw/zinc/71/88/80/1430718880.db2.gz XHBWPUPSUNCEHV-INIZCTEOSA-N 2 0 375.513 3.044 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000183495205 1430727630 /nfs/dbraw/zinc/72/76/30/1430727630.db2.gz SGNIKJUXDPLQFU-CYBMUJFWSA-N 2 0 395.569 3.190 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000183743448 1430785188 /nfs/dbraw/zinc/78/51/88/1430785188.db2.gz LLYYSNXFVDSMCR-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183775346 1430791229 /nfs/dbraw/zinc/79/12/29/1430791229.db2.gz LNUNWKKCCHNMLR-IEBWSBKVSA-N 2 0 383.577 3.255 20 0 GGADRP COc1ccc([C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000184628087 1430923415 /nfs/dbraw/zinc/92/34/15/1430923415.db2.gz SGKRDELRPQSXSQ-GMAHTHKFSA-N 2 0 381.520 3.155 20 0 GGADRP Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184654577 1430931716 /nfs/dbraw/zinc/93/17/16/1430931716.db2.gz JGKZWMGHNGUJMC-UHFFFAOYSA-N 2 0 395.551 3.357 20 0 GGADRP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000184670743 1430937506 /nfs/dbraw/zinc/93/75/06/1430937506.db2.gz YKSNBGJCLBUYRV-YESZJQIVSA-N 2 0 381.442 3.023 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184672351 1430937874 /nfs/dbraw/zinc/93/78/74/1430937874.db2.gz IBTPXJLTSRPOOM-GZOSKZMVSA-N 2 0 383.458 3.125 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000184752306 1430965991 /nfs/dbraw/zinc/96/59/91/1430965991.db2.gz IRPXVRFCCNUCJJ-IAGOWNOFSA-N 2 0 398.526 3.483 20 0 GGADRP CCOc1cc2[nH+]ccc(N[C@@H](C)CC[NH+]3CCN(C)CC3)c2cc1OCC ZINC000184826361 1430992572 /nfs/dbraw/zinc/99/25/72/1430992572.db2.gz JBXWHMBUOPCGQP-KRWDZBQOSA-N 2 0 386.540 3.470 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184885794 1431012654 /nfs/dbraw/zinc/01/26/54/1431012654.db2.gz HWUWQVADAHARGV-FQEVSTJZSA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC3(C[NH+](C)C)CCCC3)c2)CC1 ZINC000184889000 1431013465 /nfs/dbraw/zinc/01/34/65/1431013465.db2.gz TZQYBGVVGWCWBX-UHFFFAOYSA-N 2 0 387.572 3.072 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000184903600 1431017724 /nfs/dbraw/zinc/01/77/24/1431017724.db2.gz CVZRVBTTZGMFMO-IBGZPJMESA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)c2)CC1 ZINC000184915925 1431020168 /nfs/dbraw/zinc/02/01/68/1431020168.db2.gz FRFBGPLUYMZTIN-UHFFFAOYSA-N 2 0 387.572 3.167 20 0 GGADRP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000184923979 1431022376 /nfs/dbraw/zinc/02/23/76/1431022376.db2.gz QNILRIVDDHHPMI-PKTZIBPZSA-N 2 0 398.595 3.132 20 0 GGADRP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000184923999 1431022440 /nfs/dbraw/zinc/02/24/40/1431022440.db2.gz QNILRIVDDHHPMI-GOTSBHOMSA-N 2 0 398.595 3.132 20 0 GGADRP c1nc(NC2CC[NH+](CC3CC3)CC2)cc(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000185208510 1431085403 /nfs/dbraw/zinc/08/54/03/1431085403.db2.gz LCFHBIVGUZIELQ-UHFFFAOYSA-N 3 0 384.572 3.049 20 0 GGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cnccc1N(C)C ZINC000185209584 1431085439 /nfs/dbraw/zinc/08/54/39/1431085439.db2.gz ICNIUUITYFMDHI-UHFFFAOYSA-N 2 0 376.888 3.236 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000185302937 1431106220 /nfs/dbraw/zinc/10/62/20/1431106220.db2.gz NXIGZQYCPWFJRS-DQLDELGASA-N 2 0 378.532 3.370 20 0 GGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000185356270 1431124575 /nfs/dbraw/zinc/12/45/75/1431124575.db2.gz QMQJWSKQBCIGGI-RTWAWAEBSA-N 2 0 378.582 3.401 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000185363310 1431126619 /nfs/dbraw/zinc/12/66/19/1431126619.db2.gz FGEZWOWZYGWIHI-UHFFFAOYSA-N 2 0 392.975 3.288 20 0 GGADRP CC[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185472767 1431152955 /nfs/dbraw/zinc/15/29/55/1431152955.db2.gz NZZWJGVENZSEAJ-JOCHJYFZSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000185545231 1431168119 /nfs/dbraw/zinc/16/81/19/1431168119.db2.gz ZZXBNQKJYXHVMI-XMSQKQJNSA-N 2 0 393.531 3.053 20 0 GGADRP C[NH+](C)CC1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000185563719 1431171329 /nfs/dbraw/zinc/17/13/29/1431171329.db2.gz HTYJKUGNNQAMGI-UHFFFAOYSA-N 2 0 392.613 3.381 20 0 GGADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@H]1COc2ccccc21 ZINC000185647438 1431194514 /nfs/dbraw/zinc/19/45/14/1431194514.db2.gz MKMMOSDNWXZAFY-VVIORFSUSA-N 2 0 396.531 3.312 20 0 GGADRP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691022 1431207058 /nfs/dbraw/zinc/20/70/58/1431207058.db2.gz SLXIXBUFNKTDGH-MSOLQXFVSA-N 2 0 383.536 3.305 20 0 GGADRP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690968 1431207320 /nfs/dbraw/zinc/20/73/20/1431207320.db2.gz SLXIXBUFNKTDGH-ZWKOTPCHSA-N 2 0 383.536 3.305 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000185851706 1431252205 /nfs/dbraw/zinc/25/22/05/1431252205.db2.gz ISPSZUBPUHKNHS-NRFANRHFSA-N 2 0 388.556 3.334 20 0 GGADRP Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000185851686 1431252231 /nfs/dbraw/zinc/25/22/31/1431252231.db2.gz ISPSZUBPUHKNHS-OAQYLSRUSA-N 2 0 388.556 3.334 20 0 GGADRP COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000185880693 1431261282 /nfs/dbraw/zinc/26/12/82/1431261282.db2.gz WFJCDDKEYUROAN-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP COc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000185880780 1431261357 /nfs/dbraw/zinc/26/13/57/1431261357.db2.gz GKHIYYPVTDBUTN-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000185889533 1431265158 /nfs/dbraw/zinc/26/51/58/1431265158.db2.gz VETUURHGLSDSAM-UHFFFAOYSA-N 2 0 382.552 3.166 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1OC ZINC000185891558 1431265946 /nfs/dbraw/zinc/26/59/46/1431265946.db2.gz NAGYLSZRBYEBRI-UHFFFAOYSA-N 2 0 383.964 3.253 20 0 GGADRP O=S1(=O)CCCN1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000186045463 1431318800 /nfs/dbraw/zinc/31/88/00/1431318800.db2.gz FUJQVLVGXDBOJP-UHFFFAOYSA-N 2 0 391.581 3.113 20 0 GGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186158968 1431344082 /nfs/dbraw/zinc/34/40/82/1431344082.db2.gz XUMZNSYRSKQPOT-QAPCUYQASA-N 2 0 387.549 3.305 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000186281938 1431370793 /nfs/dbraw/zinc/37/07/93/1431370793.db2.gz GJRKXJMSRXGCRU-IRLDBZIGSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186286587 1431371988 /nfs/dbraw/zinc/37/19/88/1431371988.db2.gz SDBJXWDZNVATRO-SFHVURJKSA-N 2 0 383.458 3.474 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186304611 1431377219 /nfs/dbraw/zinc/37/72/19/1431377219.db2.gz YPZJBOWZKLFBGT-DZFGPLHGSA-N 2 0 376.541 3.252 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000186565772 1431455845 /nfs/dbraw/zinc/45/58/45/1431455845.db2.gz ITUPNDJSCLHMPC-KRWDZBQOSA-N 2 0 396.982 3.059 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000186618077 1431470585 /nfs/dbraw/zinc/47/05/85/1431470585.db2.gz MPOFLRANHMEQBK-UHFFFAOYSA-N 2 0 385.474 3.436 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1CCS(=O)(=O)CC1 ZINC000187008546 1431588189 /nfs/dbraw/zinc/58/81/89/1431588189.db2.gz SITBUDMVOFFJCL-SFHVURJKSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C1CCS(=O)(=O)CC1 ZINC000187008562 1431588492 /nfs/dbraw/zinc/58/84/92/1431588492.db2.gz SITBUDMVOFFJCL-GOSISDBHSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000187013743 1431589819 /nfs/dbraw/zinc/58/98/19/1431589819.db2.gz JHVRCFUJTOIEHK-FHWLQOOXSA-N 2 0 392.609 3.467 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187064010 1431603391 /nfs/dbraw/zinc/60/33/91/1431603391.db2.gz QIJMIIOWTXTZTI-UHFFFAOYSA-N 2 0 387.568 3.166 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000187092504 1431612340 /nfs/dbraw/zinc/61/23/40/1431612340.db2.gz YTSCWLPTRGMKRQ-MJGOQNOKSA-N 2 0 383.577 3.111 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)cc2)CC1 ZINC000187103423 1431616352 /nfs/dbraw/zinc/61/63/52/1431616352.db2.gz YVRQTNXWTSVYDP-UHFFFAOYSA-N 2 0 395.547 3.369 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000187104326 1431616682 /nfs/dbraw/zinc/61/66/82/1431616682.db2.gz IRYVYOMAGDARRT-GOSISDBHSA-N 2 0 398.473 3.234 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187134385 1431627255 /nfs/dbraw/zinc/62/72/55/1431627255.db2.gz JVJCNJWVLYDXCI-KSSFIOAISA-N 2 0 398.473 3.092 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159751 1431634307 /nfs/dbraw/zinc/63/43/07/1431634307.db2.gz HWEYDZNZNSIMEV-GDBMZVCRSA-N 2 0 398.389 3.387 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCS(=O)(=O)CC1 ZINC000187182468 1431639447 /nfs/dbraw/zinc/63/94/47/1431639447.db2.gz ASJVOUOMJMKCNZ-MRXNPFEDSA-N 2 0 399.000 3.355 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCS(=O)(=O)CC1 ZINC000187182450 1431639454 /nfs/dbraw/zinc/63/94/54/1431639454.db2.gz ASJVOUOMJMKCNZ-INIZCTEOSA-N 2 0 399.000 3.355 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000187256730 1431668607 /nfs/dbraw/zinc/66/86/07/1431668607.db2.gz BQOIXQRHNUAZFS-DYVFJYSZSA-N 2 0 386.462 3.090 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187308409 1431690324 /nfs/dbraw/zinc/69/03/24/1431690324.db2.gz RETVWOJPXDEKSK-OALUTQOASA-N 2 0 386.584 3.269 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187308426 1431690942 /nfs/dbraw/zinc/69/09/42/1431690942.db2.gz RETVWOJPXDEKSK-RTBURBONSA-N 2 0 386.584 3.269 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000187344001 1431703629 /nfs/dbraw/zinc/70/36/29/1431703629.db2.gz RDQFQRUCGXPVBB-UHFFFAOYSA-N 2 0 392.503 3.382 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000187355649 1431707049 /nfs/dbraw/zinc/70/70/49/1431707049.db2.gz DLJUUKRZLHKFIN-SKDZVZGDSA-N 2 0 398.473 3.233 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000187445734 1431732352 /nfs/dbraw/zinc/73/23/52/1431732352.db2.gz XXFDVAPTJJWHSF-QFIPXVFZSA-N 2 0 384.568 3.071 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187473696 1431742424 /nfs/dbraw/zinc/74/24/24/1431742424.db2.gz YSQWFMBCQAKSNH-QFIPXVFZSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187478170 1431743897 /nfs/dbraw/zinc/74/38/97/1431743897.db2.gz DKSDJZYKJQPODZ-YADHBBJMSA-N 2 0 386.584 3.270 20 0 GGADRP CC1(C)OCc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000187512310 1431752823 /nfs/dbraw/zinc/75/28/23/1431752823.db2.gz INOPBFHKMCOWEN-NRFANRHFSA-N 2 0 382.504 3.188 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCS2 ZINC000187962282 1431831671 /nfs/dbraw/zinc/83/16/71/1431831671.db2.gz ZTDGKIMZNJIHNQ-FQEVSTJZSA-N 2 0 377.598 3.485 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000188985443 1432022233 /nfs/dbraw/zinc/02/22/33/1432022233.db2.gz LWASNBJTSLXKEC-OAQYLSRUSA-N 2 0 383.580 3.405 20 0 GGADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000189021308 1432028339 /nfs/dbraw/zinc/02/83/39/1432028339.db2.gz PVMYIVNGYFGEHS-UHFFFAOYSA-N 2 0 391.515 3.445 20 0 GGADRP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C[NH+]1CCCCC1 ZINC000189055876 1432035887 /nfs/dbraw/zinc/03/58/87/1432035887.db2.gz DFGYXXGINJXWLO-VIQWUECVSA-N 2 0 383.536 3.305 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000189057573 1432036414 /nfs/dbraw/zinc/03/64/14/1432036414.db2.gz FNJGUKBOHPRPOB-ZIAGYGMSSA-N 2 0 388.421 3.022 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2ccccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189057163 1432036642 /nfs/dbraw/zinc/03/66/42/1432036642.db2.gz URWZEAAZBNRKQT-JOCHJYFZSA-N 2 0 391.559 3.415 20 0 GGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100044 1432044712 /nfs/dbraw/zinc/04/47/12/1432044712.db2.gz SEOUAZKUKGAGJA-CVDCTZTESA-N 2 0 395.547 3.387 20 0 GGADRP Cc1ccc2cc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2n1 ZINC000189310858 1432083676 /nfs/dbraw/zinc/08/36/76/1432083676.db2.gz XISXAWBMVMNDKC-UHFFFAOYSA-N 2 0 376.504 3.124 20 0 GGADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2n1 ZINC000189350285 1432091265 /nfs/dbraw/zinc/09/12/65/1432091265.db2.gz WROHRPLVDRFGIU-UHFFFAOYSA-N 2 0 376.504 3.124 20 0 GGADRP CC(C)OC1CC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000189530111 1432149839 /nfs/dbraw/zinc/14/98/39/1432149839.db2.gz YJICBRXFXPUBMZ-UHFFFAOYSA-N 2 0 376.541 3.222 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000251 1432302499 /nfs/dbraw/zinc/30/24/99/1432302499.db2.gz ZVXWMIKCGNVJBV-APWZRJJASA-N 2 0 381.948 3.395 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000190133881 1432325764 /nfs/dbraw/zinc/32/57/64/1432325764.db2.gz OBCWPIDFJMNVEU-UHFFFAOYSA-N 2 0 390.547 3.308 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000190147224 1432327932 /nfs/dbraw/zinc/32/79/32/1432327932.db2.gz UMMCAVHPVVGHDG-UHFFFAOYSA-N 2 0 392.613 3.478 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190147840 1432327938 /nfs/dbraw/zinc/32/79/38/1432327938.db2.gz YIOBIFXJOYJQBI-IBGZPJMESA-N 2 0 392.613 3.478 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190147857 1432328014 /nfs/dbraw/zinc/32/80/14/1432328014.db2.gz YIOBIFXJOYJQBI-LJQANCHMSA-N 2 0 392.613 3.478 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000190224927 1432344425 /nfs/dbraw/zinc/34/44/25/1432344425.db2.gz WDTWVKBQVTVPAZ-IBGZPJMESA-N 2 0 387.572 3.124 20 0 GGADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000190272734 1432351736 /nfs/dbraw/zinc/35/17/36/1432351736.db2.gz QWKLQSFPTCMVNN-UHFFFAOYSA-N 2 0 390.572 3.078 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)cc2)CC1 ZINC000190778194 1432476058 /nfs/dbraw/zinc/47/60/58/1432476058.db2.gz UFAGNWPRLROZJF-UHFFFAOYSA-N 2 0 395.595 3.354 20 0 GGADRP CCN(C)c1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000190792647 1432481925 /nfs/dbraw/zinc/48/19/25/1432481925.db2.gz FKNKOCYPQREVLL-UHFFFAOYSA-N 2 0 381.568 3.230 20 0 GGADRP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000190833860 1432500006 /nfs/dbraw/zinc/50/00/06/1432500006.db2.gz PNLAPUMRBSSQKN-KDURUIRLSA-N 2 0 382.552 3.437 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000190999172 1432546745 /nfs/dbraw/zinc/54/67/45/1432546745.db2.gz RRHIHLQJTXCRAO-UHFFFAOYSA-N 2 0 387.572 3.087 20 0 GGADRP Cc1c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cnn1C(C)(C)C ZINC000191257799 1432609124 /nfs/dbraw/zinc/60/91/24/1432609124.db2.gz COFFRSNIVBBZJG-MRXNPFEDSA-N 2 0 385.556 3.089 20 0 GGADRP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cnn1C(C)C ZINC000191275997 1432618237 /nfs/dbraw/zinc/61/82/37/1432618237.db2.gz IBDZSJAGAVMXPS-UWJYYQICSA-N 2 0 397.567 3.321 20 0 GGADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000191339156 1432636526 /nfs/dbraw/zinc/63/65/26/1432636526.db2.gz GHWZGIDUDAACQH-UHFFFAOYSA-N 2 0 392.613 3.474 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000191395041 1432651782 /nfs/dbraw/zinc/65/17/82/1432651782.db2.gz UITCAABIYCTTOO-UHFFFAOYSA-N 2 0 396.982 3.013 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000191466041 1432666939 /nfs/dbraw/zinc/66/69/39/1432666939.db2.gz CMVFRCGRUZNYJQ-JOCHJYFZSA-N 2 0 377.548 3.223 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000191466024 1432667096 /nfs/dbraw/zinc/66/70/96/1432667096.db2.gz CMVFRCGRUZNYJQ-QFIPXVFZSA-N 2 0 377.548 3.223 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000191480410 1432669274 /nfs/dbraw/zinc/66/92/74/1432669274.db2.gz GLBVVVDQVXIMFN-LJQANCHMSA-N 2 0 394.554 3.060 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCS2 ZINC000191496642 1432672484 /nfs/dbraw/zinc/67/24/84/1432672484.db2.gz FUJXDFXRYSAMCF-IBGZPJMESA-N 2 0 384.549 3.169 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000191504667 1432674748 /nfs/dbraw/zinc/67/47/48/1432674748.db2.gz PZSDJTVAROUEFM-HXUWFJFHSA-N 2 0 375.532 3.137 20 0 GGADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@H](O)c1ccc(F)cc1 ZINC000191510625 1432675836 /nfs/dbraw/zinc/67/58/36/1432675836.db2.gz MNVOHBKRXFIKAE-QFIPXVFZSA-N 2 0 379.564 3.233 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000191532735 1432679345 /nfs/dbraw/zinc/67/93/45/1432679345.db2.gz LKNMTUYHQCSFGL-HXUWFJFHSA-N 2 0 399.560 3.313 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000191543201 1432680352 /nfs/dbraw/zinc/68/03/52/1432680352.db2.gz OAFNBUMXOAWVGE-QFIPXVFZSA-N 2 0 385.552 3.231 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000191561838 1432683168 /nfs/dbraw/zinc/68/31/68/1432683168.db2.gz FBYGYJXUZMREGB-CEXWTWQISA-N 2 0 399.560 3.363 20 0 GGADRP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCN4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000191602641 1432690472 /nfs/dbraw/zinc/69/04/72/1432690472.db2.gz SYCFYEDHHBKUIP-HXUWFJFHSA-N 2 0 383.584 3.467 20 0 GGADRP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCN4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000191602655 1432690507 /nfs/dbraw/zinc/69/05/07/1432690507.db2.gz SYCFYEDHHBKUIP-FQEVSTJZSA-N 2 0 383.584 3.467 20 0 GGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000191975971 1432773091 /nfs/dbraw/zinc/77/30/91/1432773091.db2.gz WFCQHUSHGLJDDU-NHCUHLMSSA-N 2 0 381.568 3.171 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)C[C@@H](C)O1 ZINC000192061198 1432790162 /nfs/dbraw/zinc/79/01/62/1432790162.db2.gz SLDMVETXVPKMJR-JBYIUTFZSA-N 2 0 385.552 3.151 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192155056 1432809021 /nfs/dbraw/zinc/80/90/21/1432809021.db2.gz BQLILKXXYYRMJP-FUHWJXTLSA-N 2 0 389.515 3.104 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538159 1432856645 /nfs/dbraw/zinc/85/66/45/1432856645.db2.gz NONASALSEVVUEA-UHFFFAOYSA-N 2 0 397.485 3.470 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758154 1432885538 /nfs/dbraw/zinc/88/55/38/1432885538.db2.gz OQJHEZMUAMZWSG-SFTDATJTSA-N 2 0 377.573 3.364 20 0 GGADRP CC(C)[NH+]1CCN(CCCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000192760231 1432886133 /nfs/dbraw/zinc/88/61/33/1432886133.db2.gz YGUUTWRBJFBEJT-JWQCQUIFSA-N 2 0 398.639 3.389 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000192783275 1432890364 /nfs/dbraw/zinc/89/03/64/1432890364.db2.gz OEEZEIUIZPNMMA-UHFFFAOYSA-N 2 0 377.548 3.223 20 0 GGADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000192785504 1432890663 /nfs/dbraw/zinc/89/06/63/1432890663.db2.gz MNNIUOVCZSIZHT-QFIPXVFZSA-N 2 0 375.557 3.161 20 0 GGADRP CCC[C@@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192791746 1432891492 /nfs/dbraw/zinc/89/14/92/1432891492.db2.gz SAJZZOXKPPLVOQ-XMMPIXPASA-N 2 0 386.628 3.389 20 0 GGADRP CCC[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000192791758 1432891512 /nfs/dbraw/zinc/89/15/12/1432891512.db2.gz SAJZZOXKPPLVOQ-DEOSSOPVSA-N 2 0 386.628 3.389 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000192843324 1432898104 /nfs/dbraw/zinc/89/81/04/1432898104.db2.gz GCVRABFMQIHPKY-UHFFFAOYSA-N 2 0 387.490 3.432 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)C1 ZINC000192846378 1432898242 /nfs/dbraw/zinc/89/82/42/1432898242.db2.gz ZKGFAVMMVSJWDA-REWPJTCUSA-N 2 0 392.547 3.421 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848537 1432898574 /nfs/dbraw/zinc/89/85/74/1432898574.db2.gz SDZVIQXPFAZPKT-UXHICEINSA-N 2 0 383.939 3.315 20 0 GGADRP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929937 1432909637 /nfs/dbraw/zinc/90/96/37/1432909637.db2.gz IFDITCBEDLHOOS-NQIIRXRSSA-N 2 0 382.504 3.239 20 0 GGADRP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929953 1432909647 /nfs/dbraw/zinc/90/96/47/1432909647.db2.gz IFDITCBEDLHOOS-GHTZIAJQSA-N 2 0 382.504 3.239 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193307506 1432976812 /nfs/dbraw/zinc/97/68/12/1432976812.db2.gz RFVDZLSKPLGQDH-HXUWFJFHSA-N 2 0 386.584 3.257 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000193683483 1433040039 /nfs/dbraw/zinc/04/00/39/1433040039.db2.gz KXFXSYMBFGDEDO-UHFFFAOYSA-N 2 0 398.551 3.457 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000193851114 1433072953 /nfs/dbraw/zinc/07/29/53/1433072953.db2.gz ZFOZKMUVTDUDLB-GOSISDBHSA-N 2 0 376.545 3.369 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000193927825 1433086414 /nfs/dbraw/zinc/08/64/14/1433086414.db2.gz RHMOGFHCWDSOBB-RTBURBONSA-N 2 0 386.565 3.172 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000193927809 1433086437 /nfs/dbraw/zinc/08/64/37/1433086437.db2.gz RHMOGFHCWDSOBB-MOPGFXCFSA-N 2 0 386.565 3.172 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193928433 1433086526 /nfs/dbraw/zinc/08/65/26/1433086526.db2.gz TYUSMPZDYXCXCP-RTWAWAEBSA-N 2 0 396.535 3.238 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000193929658 1433086701 /nfs/dbraw/zinc/08/67/01/1433086701.db2.gz ZVJWHHCVGOHNSD-UGKGYDQZSA-N 2 0 398.526 3.250 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981580 1433095838 /nfs/dbraw/zinc/09/58/38/1433095838.db2.gz FUDVQJLULICTRO-DNVJHFABSA-N 2 0 383.580 3.132 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194031736 1433104483 /nfs/dbraw/zinc/10/44/83/1433104483.db2.gz YTLXICJRXLXUQE-QFIPXVFZSA-N 2 0 380.536 3.070 20 0 GGADRP COC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000194103558 1433118038 /nfs/dbraw/zinc/11/80/38/1433118038.db2.gz TYQRSWQKUASXSX-HXUWFJFHSA-N 2 0 389.927 3.109 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000194106562 1433118800 /nfs/dbraw/zinc/11/88/00/1433118800.db2.gz FHOQJCHTURJERF-LEWJYISDSA-N 2 0 398.551 3.484 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000194116216 1433120404 /nfs/dbraw/zinc/12/04/04/1433120404.db2.gz AQVXAFAXSVKMQG-HSZRJFAPSA-N 2 0 394.563 3.460 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000194210975 1433139900 /nfs/dbraw/zinc/13/99/00/1433139900.db2.gz UVCZJTQSQQIERR-FCHUYYIVSA-N 2 0 384.568 3.072 20 0 GGADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000194251611 1433149169 /nfs/dbraw/zinc/14/91/69/1433149169.db2.gz GYJYUNAKGJUOGQ-FQEVSTJZSA-N 2 0 375.944 3.468 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)CC(C)C ZINC000194408598 1433173455 /nfs/dbraw/zinc/17/34/55/1433173455.db2.gz UFIAPNDVNQRVIG-NRFANRHFSA-N 2 0 389.588 3.102 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000194416000 1433174719 /nfs/dbraw/zinc/17/47/19/1433174719.db2.gz NREOVSOPTYOARR-NRFANRHFSA-N 2 0 398.551 3.183 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194437666 1433178118 /nfs/dbraw/zinc/17/81/18/1433178118.db2.gz HURPXMDZWHGOPC-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000194690665 1433216023 /nfs/dbraw/zinc/21/60/23/1433216023.db2.gz PUOZRWCWAHCJIY-UHFFFAOYSA-N 2 0 390.597 3.134 20 0 GGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000194767663 1433228046 /nfs/dbraw/zinc/22/80/46/1433228046.db2.gz ZSRNQGZUOCXWNJ-GMAHTHKFSA-N 2 0 381.564 3.374 20 0 GGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000194926246 1433265773 /nfs/dbraw/zinc/26/57/73/1433265773.db2.gz NIPAGHGBRQJUTE-OAQYLSRUSA-N 2 0 381.520 3.154 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000195021346 1433281917 /nfs/dbraw/zinc/28/19/17/1433281917.db2.gz USQDWRWEGXXSBV-UHFFFAOYSA-N 2 0 394.563 3.209 20 0 GGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000195311978 1433317826 /nfs/dbraw/zinc/31/78/26/1433317826.db2.gz QHRXLBGSMRDVAV-UHFFFAOYSA-N 2 0 377.532 3.358 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000195358108 1433322433 /nfs/dbraw/zinc/32/24/33/1433322433.db2.gz RJUYLCVKINDWSQ-UHFFFAOYSA-N 2 0 398.551 3.314 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195423322 1433328048 /nfs/dbraw/zinc/32/80/48/1433328048.db2.gz XQLXIGDJTQOPQF-UHFFFAOYSA-N 2 0 398.551 3.314 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000195635956 1433342663 /nfs/dbraw/zinc/34/26/63/1433342663.db2.gz FGQIGYXLQXHLCC-SQNIBIBYSA-N 2 0 378.586 3.305 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195663610 1433344011 /nfs/dbraw/zinc/34/40/11/1433344011.db2.gz MYTFZZKUPYXZMA-YADHBBJMSA-N 2 0 387.568 3.459 20 0 GGADRP CC(C)[C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[NH+]1CCCCC1 ZINC000236661847 1433375573 /nfs/dbraw/zinc/37/55/73/1433375573.db2.gz TVQGMYUBCOQWIC-FQEVSTJZSA-N 2 0 387.524 3.044 20 0 GGADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000236772378 1433378252 /nfs/dbraw/zinc/37/82/52/1433378252.db2.gz RGNJLRDFFIHLJM-IBGZPJMESA-N 2 0 389.540 3.260 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000236850058 1433380892 /nfs/dbraw/zinc/38/08/92/1433380892.db2.gz WNLQRNATWWJJJK-LJQANCHMSA-N 2 0 377.536 3.141 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236884983 1433381950 /nfs/dbraw/zinc/38/19/50/1433381950.db2.gz RAFHSLOFSITQHV-CQSZACIVSA-N 2 0 375.891 3.305 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236898202 1433382629 /nfs/dbraw/zinc/38/26/29/1433382629.db2.gz HVKPMNWCNUPDPV-ZWKOTPCHSA-N 2 0 385.556 3.342 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236898170 1433382735 /nfs/dbraw/zinc/38/27/35/1433382735.db2.gz PXWWZYIGQWHQFE-KRWDZBQOSA-N 2 0 385.556 3.342 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000236950557 1433383706 /nfs/dbraw/zinc/38/37/06/1433383706.db2.gz PNMBIDKELKDLLJ-INIZCTEOSA-N 2 0 376.545 3.312 20 0 GGADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236962844 1433384274 /nfs/dbraw/zinc/38/42/74/1433384274.db2.gz GWXVJIDQBIZBQR-QFIPXVFZSA-N 2 0 380.536 3.070 20 0 GGADRP CCc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000236962620 1433384401 /nfs/dbraw/zinc/38/44/01/1433384401.db2.gz WJCVEFQYLJFWJK-JOCHJYFZSA-N 2 0 379.548 3.289 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000237031847 1433386555 /nfs/dbraw/zinc/38/65/55/1433386555.db2.gz LFKCDRHKXWBAEQ-UHFFFAOYSA-N 2 0 395.975 3.396 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124723 1433390038 /nfs/dbraw/zinc/39/00/38/1433390038.db2.gz UGTCSUHFBLGELE-AYBZRNKSSA-N 2 0 383.458 3.204 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237193790 1433391833 /nfs/dbraw/zinc/39/18/33/1433391833.db2.gz LSJYMTNFZFXSOG-HSZRJFAPSA-N 2 0 377.532 3.072 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237193728 1433391851 /nfs/dbraw/zinc/39/18/51/1433391851.db2.gz LOEBNIOPIOIQRM-QHCPKHFHSA-N 2 0 377.532 3.244 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000237202999 1433392220 /nfs/dbraw/zinc/39/22/20/1433392220.db2.gz YSKNDPBGVZQWMS-NHCUHLMSSA-N 2 0 381.520 3.081 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000237244513 1433393946 /nfs/dbraw/zinc/39/39/46/1433393946.db2.gz LYQIZKASGNCATR-SJORKVTESA-N 2 0 377.529 3.275 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000237257655 1433394517 /nfs/dbraw/zinc/39/45/17/1433394517.db2.gz ODHDCEPATTXWIF-ZVDOUQERSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000237256286 1433394546 /nfs/dbraw/zinc/39/45/46/1433394546.db2.gz PLDBWRLXVSVNLX-QYYYHEGRSA-N 2 0 385.552 3.259 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000237286695 1433395818 /nfs/dbraw/zinc/39/58/18/1433395818.db2.gz IELGXBKBZJXJRF-GOSISDBHSA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237286914 1433395922 /nfs/dbraw/zinc/39/59/22/1433395922.db2.gz XISDMAPRYWCUQS-GHTZIAJQSA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237286978 1433395981 /nfs/dbraw/zinc/39/59/81/1433395981.db2.gz CJYMMFROWQVMNF-QFIPXVFZSA-N 2 0 381.520 3.114 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000237325104 1433397378 /nfs/dbraw/zinc/39/73/78/1433397378.db2.gz JXQXYOUMYILYGO-UZKOGDIHSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237324593 1433397513 /nfs/dbraw/zinc/39/75/13/1433397513.db2.gz YWTPWNMUCKNPHF-VXKWHMMOSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237327407 1433397528 /nfs/dbraw/zinc/39/75/28/1433397528.db2.gz CBOSOVJSRYRNEP-VOQZNFBZSA-N 2 0 381.520 3.284 20 0 GGADRP C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237400505 1433400669 /nfs/dbraw/zinc/40/06/69/1433400669.db2.gz QIBURAGBIHQEJZ-FUHWJXTLSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237417568 1433401950 /nfs/dbraw/zinc/40/19/50/1433401950.db2.gz QZJRWWSFMINDJJ-HMFYCAOWSA-N 2 0 381.520 3.002 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237417542 1433402083 /nfs/dbraw/zinc/40/20/83/1433402083.db2.gz QZJRWWSFMINDJJ-JBYIUTFZSA-N 2 0 381.520 3.002 20 0 GGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000237440438 1433403209 /nfs/dbraw/zinc/40/32/09/1433403209.db2.gz YPFYULLFKARISZ-VDZJLULYSA-N 2 0 383.458 3.027 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)N1c1ccccc1 ZINC000237493831 1433406072 /nfs/dbraw/zinc/40/60/72/1433406072.db2.gz UILOEIHBFALBRJ-XXBNENTESA-N 2 0 393.531 3.445 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237552714 1433409119 /nfs/dbraw/zinc/40/91/19/1433409119.db2.gz QDDLQFLSMKAFQJ-MJGOQNOKSA-N 2 0 375.582 3.242 20 0 GGADRP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237566188 1433409961 /nfs/dbraw/zinc/40/99/61/1433409961.db2.gz UUPUNNHUTVVBJJ-HKUYNNGSSA-N 2 0 375.582 3.190 20 0 GGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000237592719 1433411508 /nfs/dbraw/zinc/41/15/08/1433411508.db2.gz ASGRBKYOGNTTBI-NRFANRHFSA-N 2 0 381.545 3.369 20 0 GGADRP C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237599488 1433411682 /nfs/dbraw/zinc/41/16/82/1433411682.db2.gz QIBURAGBIHQEJZ-AEFFLSMTSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@H]1CN(C(C)(C)C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000237598295 1433411884 /nfs/dbraw/zinc/41/18/84/1433411884.db2.gz WTOXGKBRZOHFEC-PMACEKPBSA-N 2 0 389.584 3.139 20 0 GGADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237603924 1433412233 /nfs/dbraw/zinc/41/22/33/1433412233.db2.gz UUPUNNHUTVVBJJ-IEBWSBKVSA-N 2 0 375.582 3.190 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000237606236 1433412319 /nfs/dbraw/zinc/41/23/19/1433412319.db2.gz BBIFIRVNZZZXHD-JYRKZWEQSA-N 2 0 379.589 3.022 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237630399 1433413637 /nfs/dbraw/zinc/41/36/37/1433413637.db2.gz IBELCPYIUSPFGF-SELNLUPBSA-N 2 0 395.547 3.392 20 0 GGADRP Cc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000237644563 1433414612 /nfs/dbraw/zinc/41/46/12/1433414612.db2.gz ZMDFCBRHHLPUEN-FQEVSTJZSA-N 2 0 381.520 3.163 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000237693351 1433417430 /nfs/dbraw/zinc/41/74/30/1433417430.db2.gz WIFKORJLFWQQCJ-SIKLNZKXSA-N 2 0 377.532 3.087 20 0 GGADRP [NH3+][C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237815952 1433425643 /nfs/dbraw/zinc/42/56/43/1433425643.db2.gz MUUBFTWSLFPVBH-NRFANRHFSA-N 2 0 380.492 3.140 20 0 GGADRP [NH3+]C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237831046 1433427549 /nfs/dbraw/zinc/42/75/49/1433427549.db2.gz UZUCLPHVVJSISN-MOPGFXCFSA-N 2 0 391.437 3.138 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000237856502 1433429515 /nfs/dbraw/zinc/42/95/15/1433429515.db2.gz VUXVMJNRCNPFGJ-UHFFFAOYSA-N 2 0 395.547 3.458 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237880220 1433431186 /nfs/dbraw/zinc/43/11/86/1433431186.db2.gz AKCDZYUZODMMOW-SFHVURJKSA-N 2 0 383.458 3.176 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000237901159 1433432769 /nfs/dbraw/zinc/43/27/69/1433432769.db2.gz SEVXSWMKBUTWFW-PRJVBOEPSA-N 2 0 398.551 3.360 20 0 GGADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000237911539 1433433638 /nfs/dbraw/zinc/43/36/38/1433433638.db2.gz OYROPWOLOFKLKA-UHFFFAOYSA-N 2 0 395.473 3.131 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000237952245 1433436696 /nfs/dbraw/zinc/43/66/96/1433436696.db2.gz KLMWKZACQYLCHT-HXUWFJFHSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000237953184 1433436754 /nfs/dbraw/zinc/43/67/54/1433436754.db2.gz ONFPQJDOIWSOFF-HKUYNNGSSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237974053 1433437958 /nfs/dbraw/zinc/43/79/58/1433437958.db2.gz DELIVHQNFPVPMU-QFIPXVFZSA-N 2 0 377.532 3.261 20 0 GGADRP [NH3+]C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238034794 1433440403 /nfs/dbraw/zinc/44/04/03/1433440403.db2.gz OCHPREWRUUPBIT-RTBURBONSA-N 2 0 389.902 3.302 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000238101095 1433442780 /nfs/dbraw/zinc/44/27/80/1433442780.db2.gz ONWLCMZLWVRLOH-YYWHXJBOSA-N 2 0 398.551 3.360 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000238102379 1433442857 /nfs/dbraw/zinc/44/28/57/1433442857.db2.gz OKRRXEIEUOZAHX-YYWHXJBOSA-N 2 0 398.551 3.360 20 0 GGADRP C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201216 1433454814 /nfs/dbraw/zinc/45/48/14/1433454814.db2.gz GKYMTZVJHCTPDV-DMUMMCEESA-N 2 0 385.552 3.352 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245392606 1433458940 /nfs/dbraw/zinc/45/89/40/1433458940.db2.gz ULYCVFDFVRIYBO-GUDVDZBRSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245395608 1433459634 /nfs/dbraw/zinc/45/96/34/1433459634.db2.gz IDYKZMZFZZAPSN-DENIHFKCSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000245395712 1433459949 /nfs/dbraw/zinc/45/99/49/1433459949.db2.gz IRBSYHWWCCCIET-SIKLNZKXSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@H](C(=O)NCCc1cccs1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439878 1433467833 /nfs/dbraw/zinc/46/78/33/1433467833.db2.gz GCUVSCVQJVDQNF-UYAOXDASSA-N 2 0 385.577 3.249 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000245440334 1433468354 /nfs/dbraw/zinc/46/83/54/1433468354.db2.gz ULKHVRXDCWFDSQ-VXKWHMMOSA-N 2 0 386.584 3.413 20 0 GGADRP C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C[NH+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245446681 1433469651 /nfs/dbraw/zinc/46/96/51/1433469651.db2.gz LIUXMIMPQUAWFP-ZEQRLZLVSA-N 4 0 390.660 3.382 20 0 GGADRP CC[NH+](C)C[C@@H]1CCN(Cc2cccc(CN3CC[C@@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000245455104 1433470824 /nfs/dbraw/zinc/47/08/24/1433470824.db2.gz SKSNMMVLKXFKHT-ZEQRLZLVSA-N 4 0 386.628 3.234 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245454972 1433471032 /nfs/dbraw/zinc/47/10/32/1433471032.db2.gz HTKIWSCKUMGWLX-ZWKOTPCHSA-N 2 0 381.586 3.242 20 0 GGADRP COc1cccc(CNC(=O)[C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000245457850 1433471874 /nfs/dbraw/zinc/47/18/74/1433471874.db2.gz UOINFBCMCXFHHF-DENIHFKCSA-N 2 0 395.547 3.154 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245552669 1433484058 /nfs/dbraw/zinc/48/40/58/1433484058.db2.gz QOWZBZNXQLLMIG-IQWRZIDRSA-N 2 0 395.588 3.396 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000245586395 1433488092 /nfs/dbraw/zinc/48/80/92/1433488092.db2.gz AMFPZLOYGIKSAQ-BWAGFHJFSA-N 2 0 384.568 3.439 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245666825 1433497197 /nfs/dbraw/zinc/49/71/97/1433497197.db2.gz ASBJPQRNFCQCEB-JTHBVZDNSA-N 2 0 399.579 3.000 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245669960 1433497316 /nfs/dbraw/zinc/49/73/16/1433497316.db2.gz FGLUUYIMZAFCJX-KCZVDYSFSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H](Oc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245702382 1433502646 /nfs/dbraw/zinc/50/26/46/1433502646.db2.gz LOXQYFNIUOOLTE-VLCRHTCISA-N 2 0 387.568 3.250 20 0 GGADRP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245702412 1433502659 /nfs/dbraw/zinc/50/26/59/1433502659.db2.gz LPQPHHXOKKXAOW-NHCUHLMSSA-N 2 0 391.531 3.000 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245761271 1433513484 /nfs/dbraw/zinc/51/34/84/1433513484.db2.gz ZMRJOUSMLJIHNU-APWZRJJASA-N 2 0 396.938 3.113 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245763103 1433513733 /nfs/dbraw/zinc/51/37/33/1433513733.db2.gz ZVVQVQJJUPMXMU-FCEWJHQRSA-N 2 0 396.938 3.255 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000245868500 1433530285 /nfs/dbraw/zinc/53/02/85/1433530285.db2.gz FQKIATZTOSOEOU-QIJUGHKUSA-N 2 0 384.568 3.480 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000245877763 1433532750 /nfs/dbraw/zinc/53/27/50/1433532750.db2.gz ASJKDXKRYWIISZ-VXKWHMMOSA-N 2 0 384.568 3.024 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245918076 1433542463 /nfs/dbraw/zinc/54/24/63/1433542463.db2.gz FZUDDQWBKFRRJG-NQIIRXRSSA-N 2 0 387.572 3.171 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000245921503 1433543486 /nfs/dbraw/zinc/54/34/86/1433543486.db2.gz GQYBVWUZETWVKM-RTBURBONSA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245932239 1433546129 /nfs/dbraw/zinc/54/61/29/1433546129.db2.gz ILGCIRRBCBBKAL-HBFSDRIKSA-N 2 0 395.588 3.160 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000245993672 1433554669 /nfs/dbraw/zinc/55/46/69/1433554669.db2.gz MRSYQHMVMFALQR-WSTZPKSXSA-N 2 0 393.547 3.060 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998106 1433556118 /nfs/dbraw/zinc/55/61/18/1433556118.db2.gz RNKXBYHXUOCHRZ-BHIYHBOVSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000246018198 1433558427 /nfs/dbraw/zinc/55/84/27/1433558427.db2.gz URMMKMJIYJNVGC-UCBRCEGISA-N 2 0 398.595 3.269 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000246018186 1433558514 /nfs/dbraw/zinc/55/85/14/1433558514.db2.gz URMMKMJIYJNVGC-FUOIXIIKSA-N 2 0 398.595 3.269 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026480 1433559441 /nfs/dbraw/zinc/55/94/41/1433559441.db2.gz LBKBJDCSOYJVDL-DUXKGJEZSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041581 1433560706 /nfs/dbraw/zinc/56/07/06/1433560706.db2.gz NZUMESYTYITNCV-JRGCBEDISA-N 2 0 378.582 3.364 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000246071035 1433564726 /nfs/dbraw/zinc/56/47/26/1433564726.db2.gz ZYMUIODBPBGPLV-BHIFYINESA-N 2 0 386.584 3.065 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)Cn1ccnc1C ZINC000246163208 1433576793 /nfs/dbraw/zinc/57/67/93/1433576793.db2.gz KWILNNSLGCDTSG-UGKGYDQZSA-N 2 0 397.567 3.381 20 0 GGADRP C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209102 1433582220 /nfs/dbraw/zinc/58/22/20/1433582220.db2.gz XPIFMUMGCCZATQ-MOPGFXCFSA-N 2 0 389.609 3.465 20 0 GGADRP CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000246266618 1433588005 /nfs/dbraw/zinc/58/80/05/1433588005.db2.gz AFSVTPXTWSNLEY-WIYYLYMNSA-N 2 0 397.567 3.299 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000246289126 1433590055 /nfs/dbraw/zinc/59/00/55/1433590055.db2.gz CGGQWZUJKJJIFU-PMACEKPBSA-N 2 0 375.532 3.132 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246311474 1433593093 /nfs/dbraw/zinc/59/30/93/1433593093.db2.gz DTPOUCLTEWPRBV-OFAXGOBFSA-N 2 0 389.584 3.046 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246316978 1433593708 /nfs/dbraw/zinc/59/37/08/1433593708.db2.gz FBNLTXAIYNSYTF-FFZOFVMBSA-N 2 0 376.541 3.431 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246321676 1433594584 /nfs/dbraw/zinc/59/45/84/1433594584.db2.gz KOQJREKFBVJLTJ-IIZPIQPGSA-N 2 0 390.616 3.403 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000246321026 1433594623 /nfs/dbraw/zinc/59/46/23/1433594623.db2.gz FKSJXDWPRNUAJX-FUOIXIIKSA-N 2 0 398.595 3.411 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246323778 1433594933 /nfs/dbraw/zinc/59/49/33/1433594933.db2.gz HFCYWTSWALHWAU-HBMCJLEFSA-N 2 0 378.605 3.403 20 0 GGADRP COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336885 1433596756 /nfs/dbraw/zinc/59/67/56/1433596756.db2.gz HILMNUGJSHNVTI-HKUYNNGSSA-N 2 0 383.536 3.079 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000246340347 1433597348 /nfs/dbraw/zinc/59/73/48/1433597348.db2.gz HXFDJXJRQFATKN-SKWRMQMOSA-N 2 0 398.595 3.413 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000246372413 1433602545 /nfs/dbraw/zinc/60/25/45/1433602545.db2.gz QYBGMWGKQHTLRN-KNQAVFIVSA-N 2 0 386.584 3.400 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246403775 1433608028 /nfs/dbraw/zinc/60/80/28/1433608028.db2.gz LMZNQBXFSGYLTO-HBMCJLEFSA-N 2 0 378.605 3.260 20 0 GGADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408695 1433608275 /nfs/dbraw/zinc/60/82/75/1433608275.db2.gz BKNKEWBIGMYYQJ-CEQIKUNHSA-N 2 0 391.506 3.433 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000246415238 1433609442 /nfs/dbraw/zinc/60/94/42/1433609442.db2.gz SFVCHDVQAAXZBM-MOPGFXCFSA-N 2 0 392.613 3.476 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246441743 1433613681 /nfs/dbraw/zinc/61/36/81/1433613681.db2.gz DGAGIQABMHPXAM-RBBKRZOGSA-N 2 0 394.567 3.459 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246463585 1433616122 /nfs/dbraw/zinc/61/61/22/1433616122.db2.gz QBPCILDHEGQLQQ-QZTJIDSGSA-N 2 0 391.556 3.379 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246510343 1433623472 /nfs/dbraw/zinc/62/34/72/1433623472.db2.gz UAGPMPAUDJHMIR-WQJYWUQFSA-N 2 0 396.579 3.308 20 0 GGADRP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000246510509 1433623503 /nfs/dbraw/zinc/62/35/03/1433623503.db2.gz QMISFNUOYRAQMN-ZJOUEHCJSA-N 2 0 387.568 3.028 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246513374 1433623790 /nfs/dbraw/zinc/62/37/90/1433623790.db2.gz UFJIKSGWEUCPGP-SBHAEUEKSA-N 2 0 376.589 3.013 20 0 GGADRP CCN1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518660 1433624340 /nfs/dbraw/zinc/62/43/40/1433624340.db2.gz VHVBKKRYOUCZKT-IAGOWNOFSA-N 2 0 380.536 3.215 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246544318 1433628407 /nfs/dbraw/zinc/62/84/07/1433628407.db2.gz YJAOJSKQWJGQPZ-FGZHOGPDSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246574131 1433633523 /nfs/dbraw/zinc/63/35/23/1433633523.db2.gz MOFNDJJVNAJHTB-WMZHIEFXSA-N 2 0 379.548 3.495 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246636617 1433643110 /nfs/dbraw/zinc/64/31/10/1433643110.db2.gz CHBNLKBFRFWMNK-IRFCIJBXSA-N 2 0 386.584 3.174 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246636629 1433643478 /nfs/dbraw/zinc/64/34/78/1433643478.db2.gz CHBNLKBFRFWMNK-KIZRIRGWSA-N 2 0 386.584 3.174 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000246639260 1433643947 /nfs/dbraw/zinc/64/39/47/1433643947.db2.gz YBRQWPFDPFOMPD-FIEIAYSHSA-N 2 0 384.568 3.067 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000246732201 1433656666 /nfs/dbraw/zinc/65/66/66/1433656666.db2.gz WASXMARGVJVSSX-CEWLAPEOSA-N 2 0 376.589 3.155 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000246732215 1433657209 /nfs/dbraw/zinc/65/72/09/1433657209.db2.gz WASXMARGVJVSSX-SESVDKBCSA-N 2 0 376.589 3.155 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246791432 1433667660 /nfs/dbraw/zinc/66/76/60/1433667660.db2.gz JCBVULBAAAQMKP-YADHBBJMSA-N 2 0 386.584 3.272 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000246812324 1433672462 /nfs/dbraw/zinc/67/24/62/1433672462.db2.gz JLWVEVOSNADQIM-FGZHOGPDSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815794 1433673001 /nfs/dbraw/zinc/67/30/01/1433673001.db2.gz NMRHFGLPCHPUDG-VYZYDHRKSA-N 2 0 385.596 3.409 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246828152 1433675521 /nfs/dbraw/zinc/67/55/21/1433675521.db2.gz DRRFJKRMGYTROF-QZTJIDSGSA-N 2 0 378.586 3.162 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246839449 1433676813 /nfs/dbraw/zinc/67/68/13/1433676813.db2.gz KJUMTHKMNDOHMU-CBQOVEMMSA-N 2 0 384.568 3.338 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000246914157 1433686433 /nfs/dbraw/zinc/68/64/33/1433686433.db2.gz LCYKQLKZFOCKAW-SBHAEUEKSA-N 2 0 387.568 3.100 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000246920570 1433687296 /nfs/dbraw/zinc/68/72/96/1433687296.db2.gz GSHAJDQTUHCZGL-WSTZPKSXSA-N 2 0 377.573 3.234 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928247 1433688331 /nfs/dbraw/zinc/68/83/31/1433688331.db2.gz SWCXDYAQNMSNHJ-NTLWEQJWSA-N 2 0 385.552 3.210 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928287 1433688366 /nfs/dbraw/zinc/68/83/66/1433688366.db2.gz SWCXDYAQNMSNHJ-UGNRZPKXSA-N 2 0 385.552 3.210 20 0 GGADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236332 1433694789 /nfs/dbraw/zinc/69/47/89/1433694789.db2.gz YUDHCMFHWKPOFC-AZUAARDMSA-N 2 0 382.552 3.165 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000247266571 1433698333 /nfs/dbraw/zinc/69/83/33/1433698333.db2.gz RYCYZCUXZORAHA-FKBYEOEOSA-N 2 0 386.584 3.065 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247280568 1433699765 /nfs/dbraw/zinc/69/97/65/1433699765.db2.gz KHQKDOJTWLBODI-IFMALSPDSA-N 2 0 386.584 3.270 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247308502 1433703310 /nfs/dbraw/zinc/70/33/10/1433703310.db2.gz GYKNJMHFKFGSTL-FCEUIQTBSA-N 2 0 386.584 3.413 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247308511 1433703362 /nfs/dbraw/zinc/70/33/62/1433703362.db2.gz GYKNJMHFKFGSTL-KSEOMHKRSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247329993 1433707890 /nfs/dbraw/zinc/70/78/90/1433707890.db2.gz WVKZTJXJFGKJTL-ZDFPQIBNSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247346076 1433710764 /nfs/dbraw/zinc/71/07/64/1433710764.db2.gz XVFGTFDPJJYXAD-UCBRCEGISA-N 2 0 398.595 3.269 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000247403987 1433717546 /nfs/dbraw/zinc/71/75/46/1433717546.db2.gz XRZDMVAXRDFOIE-WOJBJXKFSA-N 2 0 386.584 3.402 20 0 GGADRP CC1CC[NH+](CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415928 1433719314 /nfs/dbraw/zinc/71/93/14/1433719314.db2.gz UAKUWUTXKKRGJZ-UNMCSNQZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247412052 1433719379 /nfs/dbraw/zinc/71/93/79/1433719379.db2.gz STPXEFOSJUHGPP-RZUBCFFCSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247419240 1433720092 /nfs/dbraw/zinc/72/00/92/1433720092.db2.gz UPQVACTVCLWYEX-SYYKKAFVSA-N 2 0 384.568 3.165 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247460219 1433725355 /nfs/dbraw/zinc/72/53/55/1433725355.db2.gz UIKHWUZJHWTASA-KSEOMHKRSA-N 2 0 386.584 3.317 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000247485215 1433728236 /nfs/dbraw/zinc/72/82/36/1433728236.db2.gz KMHRTVHXSNUHER-UNMCSNQZSA-N 2 0 379.504 3.466 20 0 GGADRP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)cc1 ZINC000247516354 1433732776 /nfs/dbraw/zinc/73/27/76/1433732776.db2.gz WIFRYPABMYXVDI-NKKJXINNSA-N 2 0 382.548 3.345 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000247529217 1433733947 /nfs/dbraw/zinc/73/39/47/1433733947.db2.gz OUJFPJOFRIKCIB-GIVPXCGWSA-N 2 0 381.524 3.285 20 0 GGADRP O[C@H](COc1cccc(C(F)(F)F)c1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247640954 1433742045 /nfs/dbraw/zinc/74/20/45/1433742045.db2.gz SXLCWGUWOSLIPC-WMZOPIPTSA-N 2 0 386.458 3.253 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648637 1433742721 /nfs/dbraw/zinc/74/27/21/1433742721.db2.gz VUZTUCKBSAZLAR-YJBOKZPZSA-N 2 0 396.938 3.085 20 0 GGADRP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000247710098 1433747476 /nfs/dbraw/zinc/74/74/76/1433747476.db2.gz RSJIYFMBSJJNSJ-TZRRMPRUSA-N 2 0 380.532 3.022 20 0 GGADRP CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000247735314 1433748273 /nfs/dbraw/zinc/74/82/73/1433748273.db2.gz MRYDIFNUQIZNNE-AEFFLSMTSA-N 2 0 398.507 3.271 20 0 GGADRP O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000247802821 1433752136 /nfs/dbraw/zinc/75/21/36/1433752136.db2.gz WVEGNUWASKARST-UHFFFAOYSA-N 2 0 380.536 3.090 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000247929054 1433756536 /nfs/dbraw/zinc/75/65/36/1433756536.db2.gz BWBZWDGXLVGXRQ-BHIFYINESA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247979696 1433761180 /nfs/dbraw/zinc/76/11/80/1433761180.db2.gz MDYSGKCQKUTEOS-GUDVDZBRSA-N 2 0 377.573 3.165 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010066 1433762863 /nfs/dbraw/zinc/76/28/63/1433762863.db2.gz LEXPZHGVMGDJJZ-OFNKIYASSA-N 2 0 393.531 3.170 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248134547 1433773377 /nfs/dbraw/zinc/77/33/77/1433773377.db2.gz OWUPRJLWGSVILJ-QZNHQXDQSA-N 2 0 396.579 3.167 20 0 GGADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000248141031 1433773741 /nfs/dbraw/zinc/77/37/41/1433773741.db2.gz PPXBGAOEQCYPFK-VQIMIIECSA-N 2 0 381.586 3.244 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000248215785 1433780169 /nfs/dbraw/zinc/78/01/69/1433780169.db2.gz ZPRDSNPHBZYELH-BBWFWOEESA-N 2 0 396.963 3.179 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000248391613 1433794120 /nfs/dbraw/zinc/79/41/20/1433794120.db2.gz DJAMZFOXQKOLKY-MXKPZRPRSA-N 2 0 388.577 3.372 20 0 GGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000248402322 1433797487 /nfs/dbraw/zinc/79/74/87/1433797487.db2.gz NCYSACUVMIKOTD-DYXWJJEUSA-N 2 0 398.595 3.385 20 0 GGADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248401554 1433797604 /nfs/dbraw/zinc/79/76/04/1433797604.db2.gz LWBQWVVOSHSCHH-YTFSRNRJSA-N 2 0 377.532 3.437 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000248402336 1433797659 /nfs/dbraw/zinc/79/76/59/1433797659.db2.gz NEWKLNRIMJIGQE-LIONHTAISA-N 3 0 398.639 3.149 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403772 1433798501 /nfs/dbraw/zinc/79/85/01/1433798501.db2.gz PBOFXCAOTYIFIU-XYJFISCASA-N 2 0 378.586 3.303 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402794 1433798830 /nfs/dbraw/zinc/79/88/30/1433798830.db2.gz NTQOREFCAJXEKV-JZXOWHBKSA-N 2 0 379.570 3.362 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000248410732 1433800417 /nfs/dbraw/zinc/80/04/17/1433800417.db2.gz HKUTYWOWULCPFN-MRQKEVAZSA-N 3 0 385.596 3.376 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)NCc1ccccc1 ZINC000248416905 1433801038 /nfs/dbraw/zinc/80/10/38/1433801038.db2.gz QIGBSCNXMUICID-OUFMZXHOSA-N 2 0 377.532 3.192 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)NCc1ccccc1 ZINC000248416904 1433801101 /nfs/dbraw/zinc/80/11/01/1433801101.db2.gz QIGBSCNXMUICID-JBJBFBLISA-N 2 0 377.532 3.192 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCN1CC(F)(F)F ZINC000248418844 1433801235 /nfs/dbraw/zinc/80/12/35/1433801235.db2.gz UDNCHHBTVGUCIL-WJFTUGDTSA-N 2 0 395.469 3.040 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCN1CC(F)(F)F ZINC000248418842 1433801293 /nfs/dbraw/zinc/80/12/93/1433801293.db2.gz UDNCHHBTVGUCIL-INDMIFKZSA-N 2 0 395.469 3.040 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000248453047 1433803903 /nfs/dbraw/zinc/80/39/03/1433803903.db2.gz QGLUALXMFYLDRM-FDDCHVKYSA-N 2 0 376.504 3.290 20 0 GGADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248568693 1433808912 /nfs/dbraw/zinc/80/89/12/1433808912.db2.gz LNUBQHIOKIPYPD-WSTZPKSXSA-N 2 0 376.541 3.068 20 0 GGADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@H]1COc2ccccc21 ZINC000248595914 1433810413 /nfs/dbraw/zinc/81/04/13/1433810413.db2.gz MKMMOSDNWXZAFY-GMQQQROESA-N 2 0 396.531 3.312 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000248653232 1433813851 /nfs/dbraw/zinc/81/38/51/1433813851.db2.gz YPZJBOWZKLFBGT-DUXKGJEZSA-N 2 0 376.541 3.252 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248690636 1433815497 /nfs/dbraw/zinc/81/54/97/1433815497.db2.gz AULGVFAICONKBE-VAMGGRTRSA-N 2 0 397.604 3.359 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248724522 1433817925 /nfs/dbraw/zinc/81/79/25/1433817925.db2.gz HQCKYHKWGKADQV-FUDKSRODSA-N 2 0 396.579 3.167 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000248734417 1433818599 /nfs/dbraw/zinc/81/85/99/1433818599.db2.gz PLONXNJIZJWFJR-LESCRADOSA-N 2 0 383.458 3.126 20 0 GGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248749696 1433819867 /nfs/dbraw/zinc/81/98/67/1433819867.db2.gz SWWMBUASJXQHAW-PGRDOPGGSA-N 2 0 395.547 3.200 20 0 GGADRP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000248773560 1433821720 /nfs/dbraw/zinc/82/17/20/1433821720.db2.gz YKSNBGJCLBUYRV-IKGGRYGDSA-N 2 0 381.442 3.023 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248788247 1433822695 /nfs/dbraw/zinc/82/26/95/1433822695.db2.gz CYTLLUSBFLXWBC-QPTUXGOLSA-N 2 0 389.543 3.185 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000248799131 1433823079 /nfs/dbraw/zinc/82/30/79/1433823079.db2.gz JNNIVLQSKPBMBO-XMSQKQJNSA-N 2 0 384.568 3.213 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000248830712 1433824588 /nfs/dbraw/zinc/82/45/88/1433824588.db2.gz LMMXCNJJAMRMSU-GOTSBHOMSA-N 2 0 395.547 3.087 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248852093 1433825762 /nfs/dbraw/zinc/82/57/62/1433825762.db2.gz OWKCSKXGFSJOMI-VLSUOOLDSA-N 2 0 396.579 3.165 20 0 GGADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248855250 1433826066 /nfs/dbraw/zinc/82/60/66/1433826066.db2.gz VWCHSXOCSAJOQX-JTHBVZDNSA-N 2 0 399.579 3.048 20 0 GGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C2 ZINC000249033999 1433832793 /nfs/dbraw/zinc/83/27/93/1433832793.db2.gz MHBHGYQTWPYNLM-YADHBBJMSA-N 2 0 380.532 3.299 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000249042174 1433832967 /nfs/dbraw/zinc/83/29/67/1433832967.db2.gz VHWXOLGGXGJCDW-QRVBRYPASA-N 2 0 383.577 3.255 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)C1 ZINC000249058511 1433833324 /nfs/dbraw/zinc/83/33/24/1433833324.db2.gz ZKGFAVMMVSJWDA-OFNKIYASSA-N 2 0 392.547 3.421 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273498 1433839952 /nfs/dbraw/zinc/83/99/52/1433839952.db2.gz JLWKIEGXVYNMBR-UZLBHIALSA-N 2 0 379.495 3.120 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274896 1433840053 /nfs/dbraw/zinc/84/00/53/1433840053.db2.gz KMQOOOVKJGHXHB-PMACEKPBSA-N 2 0 396.620 3.028 20 0 GGADRP COc1ccccc1[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249284031 1433840384 /nfs/dbraw/zinc/84/03/84/1433840384.db2.gz HPDUNJFCNPXWHT-LEWJYISDSA-N 2 0 381.520 3.251 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000249335520 1433841453 /nfs/dbraw/zinc/84/14/53/1433841453.db2.gz YRDRGZRPOGBMQP-FXAWDEMLSA-N 2 0 378.536 3.240 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420368 1433843443 /nfs/dbraw/zinc/84/34/43/1433843443.db2.gz HLCZRKSNUOTFFX-GJZGRUSLSA-N 2 0 391.541 3.078 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420370 1433843527 /nfs/dbraw/zinc/84/35/27/1433843527.db2.gz HLCZRKSNUOTFFX-LSDHHAIUSA-N 2 0 391.541 3.078 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000249507634 1433845396 /nfs/dbraw/zinc/84/53/96/1433845396.db2.gz JUJFOFMUBAZLIA-GHTZIAJQSA-N 2 0 384.568 3.202 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510845 1433845630 /nfs/dbraw/zinc/84/56/30/1433845630.db2.gz ZVXWMIKCGNVJBV-QFBILLFUSA-N 2 0 381.948 3.395 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000249779715 1433852015 /nfs/dbraw/zinc/85/20/15/1433852015.db2.gz PCMNNCSOIAXGII-PMACEKPBSA-N 2 0 386.584 3.113 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000249956803 1433853788 /nfs/dbraw/zinc/85/37/88/1433853788.db2.gz JHVRCFUJTOIEHK-CEXWTWQISA-N 2 0 392.609 3.467 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CCS(=O)(=O)CC1 ZINC000250067440 1433854095 /nfs/dbraw/zinc/85/40/95/1433854095.db2.gz NQJMXZRYXZIVTN-QZTJIDSGSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000250418423 1433855990 /nfs/dbraw/zinc/85/59/90/1433855990.db2.gz BPMZUODZAQYZTO-QRVBRYPASA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000250418417 1433856071 /nfs/dbraw/zinc/85/60/71/1433856071.db2.gz BPMZUODZAQYZTO-GUDVDZBRSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251432048 1433858042 /nfs/dbraw/zinc/85/80/42/1433858042.db2.gz BGUJXJCRUNCNLS-JQVVWYNYSA-N 2 0 386.584 3.258 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251504122 1433858535 /nfs/dbraw/zinc/85/85/35/1433858535.db2.gz FUBOSAUTCZGNFI-AQNXPRMDSA-N 2 0 386.584 3.258 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000251545715 1433858779 /nfs/dbraw/zinc/85/87/79/1433858779.db2.gz GURZXWGTIDHHJU-GMBSWORKSA-N 2 0 396.938 3.065 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000251685661 1433859811 /nfs/dbraw/zinc/85/98/11/1433859811.db2.gz OBSVCSBBOGINEA-YPAWHYETSA-N 2 0 384.568 3.023 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000251685655 1433859888 /nfs/dbraw/zinc/85/98/88/1433859888.db2.gz OBSVCSBBOGINEA-VSKRKVRLSA-N 2 0 384.568 3.023 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692405 1433864269 /nfs/dbraw/zinc/86/42/69/1433864269.db2.gz BHHANLJUAWWODG-NGYIFUPDSA-N 2 0 399.579 3.457 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692328 1433864289 /nfs/dbraw/zinc/86/42/89/1433864289.db2.gz BERGFCZHMSMTTQ-BPUDTRNYSA-N 2 0 397.563 3.211 20 0 GGADRP C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCC)CC2)c(OC)c1 ZINC000255324692 1433880367 /nfs/dbraw/zinc/88/03/67/1433880367.db2.gz VDBUEFXHNZNCJK-MWGFUINXSA-N 2 0 376.541 3.274 20 0 GGADRP C(=C\CN1CC[C@H](C[NH+]2CCCCC2)C1)\CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255337880 1433880787 /nfs/dbraw/zinc/88/07/87/1433880787.db2.gz IDIBDCILPUSWHZ-ZUHQACNJSA-N 2 0 388.644 3.158 20 0 GGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880031 1433909281 /nfs/dbraw/zinc/90/92/81/1433909281.db2.gz PAYJAYBBDAIQEG-IIDMSEBBSA-N 2 0 383.458 3.347 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261921102 1433913100 /nfs/dbraw/zinc/91/31/00/1433913100.db2.gz UYOKGPSLVMEQAR-NVXWUHKLSA-N 2 0 383.508 3.082 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000261977572 1433918568 /nfs/dbraw/zinc/91/85/68/1433918568.db2.gz GQBBCRIFFPUECA-UHFFFAOYSA-N 2 0 395.547 3.203 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000261996074 1433920603 /nfs/dbraw/zinc/92/06/03/1433920603.db2.gz NUZMHBHWBBVPEX-QHCPKHFHSA-N 2 0 379.548 3.408 20 0 GGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000262004475 1433921219 /nfs/dbraw/zinc/92/12/19/1433921219.db2.gz QZGUVNLIWXSSFJ-UHFFFAOYSA-N 2 0 383.920 3.007 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000262009703 1433921701 /nfs/dbraw/zinc/92/17/01/1433921701.db2.gz SYOBOQRWGFZSMM-JOCHJYFZSA-N 2 0 387.568 3.460 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000262023041 1433922647 /nfs/dbraw/zinc/92/26/47/1433922647.db2.gz YQRQBSZNURFYBV-JOCHJYFZSA-N 2 0 375.532 3.495 20 0 GGADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ncc(C4CC[NH2+]CC4)s3)cc2)CC1 ZINC000262089512 1433926663 /nfs/dbraw/zinc/92/66/63/1433926663.db2.gz ROIFCFJBCWJBDV-UHFFFAOYSA-N 2 0 399.564 3.004 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262219195 1433931157 /nfs/dbraw/zinc/93/11/57/1433931157.db2.gz FOLLAKDFKDRJHX-UUVDZOIZSA-N 2 0 387.568 3.177 20 0 GGADRP CC(C)c1oc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000262223943 1433931622 /nfs/dbraw/zinc/93/16/22/1433931622.db2.gz UTGJOCNJDJBCGB-LJQANCHMSA-N 2 0 396.535 3.424 20 0 GGADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)C1 ZINC000262303744 1433934338 /nfs/dbraw/zinc/93/43/38/1433934338.db2.gz OFDURMNKZBWTKN-BORGENLISA-N 2 0 385.552 3.499 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262309756 1433934414 /nfs/dbraw/zinc/93/44/14/1433934414.db2.gz AGMJPLQYKBITIK-IYBDPMFKSA-N 2 0 386.565 3.052 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262320643 1433935070 /nfs/dbraw/zinc/93/50/70/1433935070.db2.gz FFTNTYPRSPJFHT-JYTUZKMVSA-N 2 0 383.580 3.413 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000262409036 1433938025 /nfs/dbraw/zinc/93/80/25/1433938025.db2.gz SESRCFINVVKUMT-HOTGVXAUSA-N 2 0 386.565 3.052 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262426938 1433938667 /nfs/dbraw/zinc/93/86/67/1433938667.db2.gz SKBXHHUXWHNILT-FDDCHVKYSA-N 2 0 398.551 3.219 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468741 1433940443 /nfs/dbraw/zinc/94/04/43/1433940443.db2.gz GQAAKZIHPXFRGZ-NZQKXSOJSA-N 2 0 387.568 3.067 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000262626466 1433946733 /nfs/dbraw/zinc/94/67/33/1433946733.db2.gz CBOSOVJSRYRNEP-HSQYWUDLSA-N 2 0 381.520 3.284 20 0 GGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000262621132 1433946743 /nfs/dbraw/zinc/94/67/43/1433946743.db2.gz DWZOMIRVVQNBGA-QFIPXVFZSA-N 2 0 394.519 3.448 20 0 GGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1 ZINC000262630083 1433947198 /nfs/dbraw/zinc/94/71/98/1433947198.db2.gz GVVPCSWXYVRZBQ-QFIPXVFZSA-N 2 0 394.519 3.366 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000262639752 1433947344 /nfs/dbraw/zinc/94/73/44/1433947344.db2.gz JXQXYOUMYILYGO-VCOUNFBDSA-N 2 0 387.568 3.364 20 0 GGADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCCCC1 ZINC000262645749 1433947691 /nfs/dbraw/zinc/94/76/91/1433947691.db2.gz NSQXUZXREKSTGN-UHFFFAOYSA-N 2 0 386.540 3.491 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000262655836 1433948014 /nfs/dbraw/zinc/94/80/14/1433948014.db2.gz UNTPCDLDKGABFU-HFSMHLIXSA-N 2 0 375.557 3.220 20 0 GGADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262667999 1433948969 /nfs/dbraw/zinc/94/89/69/1433948969.db2.gz QJXDJQQSRZQVJW-QHCPKHFHSA-N 2 0 395.547 3.182 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000262677115 1433949478 /nfs/dbraw/zinc/94/94/78/1433949478.db2.gz TZCDUIYCGCKEIY-UTKZUKDTSA-N 2 0 396.535 3.033 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262686025 1433950089 /nfs/dbraw/zinc/95/00/89/1433950089.db2.gz XSQVJXQVPVAOIM-UTKZUKDTSA-N 2 0 396.535 3.033 20 0 GGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)cc2)CC1 ZINC000262710067 1433951572 /nfs/dbraw/zinc/95/15/72/1433951572.db2.gz FFVUOYDMVJMQPZ-HXUWFJFHSA-N 2 0 381.524 3.292 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747934 1433953570 /nfs/dbraw/zinc/95/35/70/1433953570.db2.gz KBEBYAVHQYFFGW-RBBKRZOGSA-N 2 0 395.551 3.011 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752385 1433953682 /nfs/dbraw/zinc/95/36/82/1433953682.db2.gz ACTVHYKREJXHJN-HCLVMJGWSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762678 1433954244 /nfs/dbraw/zinc/95/42/44/1433954244.db2.gz DSGHPKFOJDVBST-HCLVMJGWSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761797 1433954299 /nfs/dbraw/zinc/95/42/99/1433954299.db2.gz DNEIPCUEABEYTG-CFKGEZKQSA-N 2 0 387.568 3.030 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763502 1433954674 /nfs/dbraw/zinc/95/46/74/1433954674.db2.gz FGQCKVYMMVIKMN-NZQKXSOJSA-N 2 0 387.568 3.067 20 0 GGADRP [NH3+]Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)co1 ZINC000262778851 1433955372 /nfs/dbraw/zinc/95/53/72/1433955372.db2.gz KFVYTCYNDFKPGM-UHFFFAOYSA-N 2 0 384.480 3.195 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789047 1433956358 /nfs/dbraw/zinc/95/63/58/1433956358.db2.gz NJKNEQHSNFQELY-NZQKXSOJSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262803861 1433957436 /nfs/dbraw/zinc/95/74/36/1433957436.db2.gz SAPYRPDGOSMYBM-HGHGUNKESA-N 2 0 393.597 3.170 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)C1(C)C ZINC000262815915 1433958678 /nfs/dbraw/zinc/95/86/78/1433958678.db2.gz WMWWJSYRRYWBRH-NQIIRXRSSA-N 2 0 391.581 3.015 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)cc2)C1 ZINC000262834187 1433960204 /nfs/dbraw/zinc/96/02/04/1433960204.db2.gz SJRIORMPYKNQTL-PXNSSMCTSA-N 2 0 381.524 3.292 20 0 GGADRP CCC(CC)(CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000262851945 1433961381 /nfs/dbraw/zinc/96/13/81/1433961381.db2.gz VKKGLBLNLDSZIR-AZUAARDMSA-N 2 0 397.567 3.447 20 0 GGADRP CCC(CC)(CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000262851946 1433961479 /nfs/dbraw/zinc/96/14/79/1433961479.db2.gz VKKGLBLNLDSZIR-ICSRJNTNSA-N 2 0 397.567 3.447 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262917320 1433966697 /nfs/dbraw/zinc/96/66/97/1433966697.db2.gz GLAJDEDSGNAXKF-UGKGYDQZSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]([NH3+])(C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000262948652 1433969621 /nfs/dbraw/zinc/96/96/21/1433969621.db2.gz VHEBBMVEFPXAED-HSZRJFAPSA-N 2 0 394.519 3.314 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262958914 1433970405 /nfs/dbraw/zinc/97/04/05/1433970405.db2.gz KNTGSFAIWYCELF-UHFFFAOYSA-N 2 0 377.960 3.448 20 0 GGADRP C[C@@H]1CCCN(Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276736 1434000028 /nfs/dbraw/zinc/00/00/28/1434000028.db2.gz YSXKXCYLVAQIKT-ITMUERHQSA-N 2 0 376.570 3.467 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271551 1434000128 /nfs/dbraw/zinc/00/01/28/1434000128.db2.gz XAOJRNHQNXUBIO-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP COc1cccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)c1 ZINC000263280178 1434000206 /nfs/dbraw/zinc/00/02/06/1434000206.db2.gz ZXUWBPRWYQELLW-JITLKJJUSA-N 2 0 385.552 3.102 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000263301566 1434000977 /nfs/dbraw/zinc/00/09/77/1434000977.db2.gz XBTZEJUKPHZICD-UHFFFAOYSA-N 2 0 386.540 3.219 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000263299063 1434001116 /nfs/dbraw/zinc/00/11/16/1434001116.db2.gz WUNDJBDFNODQTE-SIKLNZKXSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000263832318 1434039395 /nfs/dbraw/zinc/03/93/95/1434039395.db2.gz SMUCCRSUHLHTKW-BGYRXZFFSA-N 2 0 399.579 3.244 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264292259 1434093570 /nfs/dbraw/zinc/09/35/70/1434093570.db2.gz XDUWLWRBABGADM-UHFFFAOYSA-N 2 0 378.520 3.072 20 0 GGADRP C[N@H+](CCCOCC(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264402935 1434108105 /nfs/dbraw/zinc/10/81/05/1434108105.db2.gz UHKLZFCRSBZDLP-LJQANCHMSA-N 2 0 388.474 3.333 20 0 GGADRP Cc1ccc(OCc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cs2)cc1 ZINC000264944890 1434166581 /nfs/dbraw/zinc/16/65/81/1434166581.db2.gz ICYSGFMSWUCFAA-IBGZPJMESA-N 2 0 389.565 3.357 20 0 GGADRP CCN1CC[NH+](CCCCNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000265136708 1434189367 /nfs/dbraw/zinc/18/93/67/1434189367.db2.gz UDYUEUHBYHEDQL-UHFFFAOYSA-N 2 0 388.600 3.064 20 0 GGADRP Cc1cccnc1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(C)C ZINC000265217176 1434201194 /nfs/dbraw/zinc/20/11/94/1434201194.db2.gz KMVVTXBWUJKEHA-IBGZPJMESA-N 2 0 377.577 3.002 20 0 GGADRP Cc1cccnc1[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(C)C ZINC000265217177 1434201287 /nfs/dbraw/zinc/20/12/87/1434201287.db2.gz KMVVTXBWUJKEHA-LJQANCHMSA-N 2 0 377.577 3.002 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000265253585 1434208019 /nfs/dbraw/zinc/20/80/19/1434208019.db2.gz KSZXVJTYPLRYEY-SIKLNZKXSA-N 2 0 387.568 3.149 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000265487815 1434238897 /nfs/dbraw/zinc/23/88/97/1434238897.db2.gz FOOZWAZXUKJLOU-FQEVSTJZSA-N 2 0 387.568 3.149 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000265534435 1434243619 /nfs/dbraw/zinc/24/36/19/1434243619.db2.gz OAJHWPCMJVEUMH-UHFFFAOYSA-N 2 0 387.568 3.103 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266009496 1434296001 /nfs/dbraw/zinc/29/60/01/1434296001.db2.gz LORKQGQBSYTFKI-HXUWFJFHSA-N 2 0 399.579 3.048 20 0 GGADRP C[NH+](C)C/C=C/C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000266460289 1434339541 /nfs/dbraw/zinc/33/95/41/1434339541.db2.gz HJVGOXKTNGRUKP-YOCVDRLZSA-N 2 0 383.458 3.017 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000266488829 1434342784 /nfs/dbraw/zinc/34/27/84/1434342784.db2.gz WUOIAJIIISROMB-YLJYHZDGSA-N 2 0 375.557 3.025 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000266488824 1434342789 /nfs/dbraw/zinc/34/27/89/1434342789.db2.gz WUOIAJIIISROMB-XLIONFOSSA-N 2 0 375.557 3.025 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000266849459 1434381574 /nfs/dbraw/zinc/38/15/74/1434381574.db2.gz PAOGVONIIZQJCR-UHFFFAOYSA-N 2 0 389.609 3.111 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c(Cl)cccc1Cl ZINC000267070242 1434405005 /nfs/dbraw/zinc/40/50/05/1434405005.db2.gz YVKVEHBLOQMTDQ-UHFFFAOYSA-N 2 0 393.318 3.331 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267221927 1434414964 /nfs/dbraw/zinc/41/49/64/1434414964.db2.gz JFZBOLZBHVPJFF-GBXCKJPGSA-N 2 0 390.531 3.483 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267298947 1434420600 /nfs/dbraw/zinc/42/06/00/1434420600.db2.gz KEIWKGDBOFAVCD-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267325201 1434423103 /nfs/dbraw/zinc/42/31/03/1434423103.db2.gz DYQVKHSDNHDAIO-KNQAVFIVSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000267359277 1434425567 /nfs/dbraw/zinc/42/55/67/1434425567.db2.gz IYMWDTFGONLGOZ-KNQAVFIVSA-N 2 0 386.584 3.270 20 0 GGADRP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267364101 1434425991 /nfs/dbraw/zinc/42/59/91/1434425991.db2.gz XAYMQMIJWPXZSC-HXUWFJFHSA-N 2 0 398.595 3.202 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267378714 1434427583 /nfs/dbraw/zinc/42/75/83/1434427583.db2.gz VBVZCYLGGROWLU-NRFANRHFSA-N 2 0 398.595 3.257 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000267426056 1434431481 /nfs/dbraw/zinc/43/14/81/1434431481.db2.gz QLPOHZMHMXLVGP-ILWGZMRPSA-N 2 0 386.584 3.270 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000267841384 1434469909 /nfs/dbraw/zinc/46/99/09/1434469909.db2.gz BFQSRHSALAAGAV-HXUWFJFHSA-N 2 0 387.524 3.116 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000267874557 1434472899 /nfs/dbraw/zinc/47/28/99/1434472899.db2.gz MPMADGRTVBAZOI-OAQYLSRUSA-N 2 0 387.524 3.116 20 0 GGADRP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268569008 1434535100 /nfs/dbraw/zinc/53/51/00/1434535100.db2.gz QUFWTOYATGOZFV-FQEVSTJZSA-N 2 0 375.532 3.337 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000268775157 1434555915 /nfs/dbraw/zinc/55/59/15/1434555915.db2.gz VGIKVHQCUFEXFG-OAQYLSRUSA-N 2 0 383.536 3.456 20 0 GGADRP Cc1ccsc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268780807 1434556517 /nfs/dbraw/zinc/55/65/17/1434556517.db2.gz AIIDVTZERIIIOW-INIZCTEOSA-N 2 0 395.594 3.137 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000268801451 1434558648 /nfs/dbraw/zinc/55/86/48/1434558648.db2.gz HOVYWRTWYUHJDP-INIZCTEOSA-N 2 0 385.499 3.365 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805816 1434559244 /nfs/dbraw/zinc/55/92/44/1434559244.db2.gz HHPUMPYDGOGQPD-VAMGGRTRSA-N 2 0 375.557 3.063 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805814 1434559455 /nfs/dbraw/zinc/55/94/55/1434559455.db2.gz HHPUMPYDGOGQPD-AQNXPRMDSA-N 2 0 375.557 3.063 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000268838619 1434562925 /nfs/dbraw/zinc/56/29/25/1434562925.db2.gz SYMTXWFUHHDZBO-HXUWFJFHSA-N 2 0 399.583 3.067 20 0 GGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000268861669 1434565590 /nfs/dbraw/zinc/56/55/90/1434565590.db2.gz HWMXAMCNRGBETK-GOSISDBHSA-N 2 0 397.519 3.477 20 0 GGADRP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000268865852 1434565786 /nfs/dbraw/zinc/56/57/86/1434565786.db2.gz SMYFVOAQDSPGMW-LJQANCHMSA-N 2 0 385.474 3.153 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000268872902 1434566723 /nfs/dbraw/zinc/56/67/23/1434566723.db2.gz UYJADFNKIZPPAR-SFHVURJKSA-N 2 0 391.519 3.015 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000268877741 1434567259 /nfs/dbraw/zinc/56/72/59/1434567259.db2.gz ZELPYGYSMIVVBB-OTWHNJEPSA-N 2 0 394.556 3.260 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000268901630 1434569065 /nfs/dbraw/zinc/56/90/65/1434569065.db2.gz LHYDZEQPRUQNBC-IPJJNNNSSA-N 2 0 378.557 3.499 20 0 GGADRP C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268902913 1434569342 /nfs/dbraw/zinc/56/93/42/1434569342.db2.gz OYVFFUFFTSGBBJ-SFHVURJKSA-N 2 0 383.536 3.222 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000268902642 1434569378 /nfs/dbraw/zinc/56/93/78/1434569378.db2.gz RFPGOWFAOFZHGF-QGZVFWFLSA-N 2 0 399.535 3.487 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268931956 1434572427 /nfs/dbraw/zinc/57/24/27/1434572427.db2.gz ZVOAFQLKSIEWLK-GOSISDBHSA-N 2 0 399.535 3.431 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268931959 1434572466 /nfs/dbraw/zinc/57/24/66/1434572466.db2.gz ZVOAFQLKSIEWLK-SFHVURJKSA-N 2 0 399.535 3.431 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268960706 1434575860 /nfs/dbraw/zinc/57/58/60/1434575860.db2.gz XNFBBUNRYCFPIY-OPAMFIHVSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000268972103 1434577021 /nfs/dbraw/zinc/57/70/21/1434577021.db2.gz ZPZOLTBBNIZDQF-PXNSSMCTSA-N 2 0 376.545 3.104 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000268991384 1434579043 /nfs/dbraw/zinc/57/90/43/1434579043.db2.gz GJNORKMTTGXURJ-UHFFFAOYSA-N 2 0 379.976 3.129 20 0 GGADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269055592 1434586191 /nfs/dbraw/zinc/58/61/91/1434586191.db2.gz GLRFPTMLMLERAI-XZOQPEGZSA-N 2 0 399.579 3.170 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000269070757 1434587979 /nfs/dbraw/zinc/58/79/79/1434587979.db2.gz WZOJMESDCGDFHF-MRXNPFEDSA-N 2 0 375.513 3.373 20 0 GGADRP Cc1nccn1CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000269196779 1434605385 /nfs/dbraw/zinc/60/53/85/1434605385.db2.gz GRCRQHDLZQXUID-WOJBJXKFSA-N 2 0 378.480 3.006 20 0 GGADRP [NH3+]CCCCCCC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269276476 1434616548 /nfs/dbraw/zinc/61/65/48/1434616548.db2.gz XITLJHFDYUOFEM-UHFFFAOYSA-N 2 0 375.557 3.083 20 0 GGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269277907 1434616928 /nfs/dbraw/zinc/61/69/28/1434616928.db2.gz YNLQMTCFEATEBF-WVUPVLJSSA-N 2 0 375.516 3.013 20 0 GGADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)c(C(F)(F)F)c2)CC1 ZINC000269317002 1434622355 /nfs/dbraw/zinc/62/23/55/1434622355.db2.gz ZYNNEPDBBKEYMF-UHFFFAOYSA-N 2 0 392.425 3.168 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000269482146 1434652182 /nfs/dbraw/zinc/65/21/82/1434652182.db2.gz GESFITAMOROOIS-KFKAGJAMSA-N 2 0 376.570 3.009 20 0 GGADRP [NH3+][C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000269537855 1434657580 /nfs/dbraw/zinc/65/75/80/1434657580.db2.gz ZFAAMSWLOFNXAI-QFIPXVFZSA-N 2 0 378.520 3.247 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000269626760 1434664662 /nfs/dbraw/zinc/66/46/62/1434664662.db2.gz GNQADRDIDKFUQB-UHFFFAOYSA-N 2 0 397.567 3.160 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000269641785 1434666101 /nfs/dbraw/zinc/66/61/01/1434666101.db2.gz HAZAZCCISKNUQU-LJQANCHMSA-N 2 0 399.583 3.267 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000269653609 1434666772 /nfs/dbraw/zinc/66/67/72/1434666772.db2.gz IUJVKVSVHBTNSP-LJQANCHMSA-N 2 0 389.588 3.418 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000269653607 1434666828 /nfs/dbraw/zinc/66/68/28/1434666828.db2.gz IUJVKVSVHBTNSP-IBGZPJMESA-N 2 0 389.588 3.418 20 0 GGADRP CSc1ccc(OCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270908546 1434787163 /nfs/dbraw/zinc/78/71/63/1434787163.db2.gz NQDUNKQPPVEKDK-UHFFFAOYSA-N 2 0 377.598 3.278 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000270910615 1434787392 /nfs/dbraw/zinc/78/73/92/1434787392.db2.gz NVPDFBBUWMKJOP-UHFFFAOYSA-N 2 0 397.567 3.160 20 0 GGADRP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1SC ZINC000270955571 1434790977 /nfs/dbraw/zinc/79/09/77/1434790977.db2.gz UGSWKGVTUROVLL-UHFFFAOYSA-N 2 0 377.598 3.408 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000270963995 1434791520 /nfs/dbraw/zinc/79/15/20/1434791520.db2.gz VIQUCNPIRXDZIL-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP CCOc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000271175808 1434806402 /nfs/dbraw/zinc/80/64/02/1434806402.db2.gz AZMAXEXZDXXKJG-UHFFFAOYSA-N 2 0 375.557 3.084 20 0 GGADRP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)[NH+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217735 1434808787 /nfs/dbraw/zinc/80/87/87/1434808787.db2.gz JEFXBRUQUOUFRN-FXTUREPZSA-N 2 0 384.572 3.324 20 0 GGADRP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)[NH+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217738 1434808800 /nfs/dbraw/zinc/80/88/00/1434808800.db2.gz JEFXBRUQUOUFRN-LLVBAIKDSA-N 2 0 384.572 3.324 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)CC1 ZINC000271232157 1434809641 /nfs/dbraw/zinc/80/96/41/1434809641.db2.gz UWLURBRUKUCHDE-UHFFFAOYSA-N 2 0 385.531 3.206 20 0 GGADRP COc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OC(F)F ZINC000271234252 1434809944 /nfs/dbraw/zinc/80/99/44/1434809944.db2.gz VVMLDISNAUGHIE-UHFFFAOYSA-N 2 0 397.510 3.287 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000271363229 1434819209 /nfs/dbraw/zinc/81/92/09/1434819209.db2.gz HRHHCOVFZAKKMD-UHFFFAOYSA-N 2 0 392.547 3.326 20 0 GGADRP COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000271411533 1434822811 /nfs/dbraw/zinc/82/28/11/1434822811.db2.gz AEQJKVBEFQHBQA-QGZVFWFLSA-N 2 0 386.492 3.030 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000271508067 1434830470 /nfs/dbraw/zinc/83/04/70/1434830470.db2.gz MVQMPYHSTQUEQL-KRWDZBQOSA-N 2 0 399.539 3.403 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271567304 1434835582 /nfs/dbraw/zinc/83/55/82/1434835582.db2.gz YAPROQIQYQYESE-BULFRSBZSA-N 2 0 398.551 3.028 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271567310 1434835600 /nfs/dbraw/zinc/83/56/00/1434835600.db2.gz YAPROQIQYQYESE-WTOYTKOKSA-N 2 0 398.551 3.028 20 0 GGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000271590189 1434837386 /nfs/dbraw/zinc/83/73/86/1434837386.db2.gz SWNBILZWUQXDCS-LJQANCHMSA-N 2 0 380.536 3.485 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(OCc2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000271603029 1434838536 /nfs/dbraw/zinc/83/85/36/1434838536.db2.gz AZDGIPNVQPRKMR-UHFFFAOYSA-N 2 0 382.552 3.118 20 0 GGADRP Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccc(OCC[NH+](C)C)cc3)c(C)n2n1 ZINC000271607789 1434838805 /nfs/dbraw/zinc/83/88/05/1434838805.db2.gz WOIAKMYNEATJOE-QGZVFWFLSA-N 2 0 381.524 3.180 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271729240 1434846657 /nfs/dbraw/zinc/84/66/57/1434846657.db2.gz BWDHCDQHACVUSE-MRXNPFEDSA-N 2 0 375.538 3.027 20 0 GGADRP O=C(C[NH2+][C@H](CCCO)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000271834659 1434853579 /nfs/dbraw/zinc/85/35/79/1434853579.db2.gz UXHNDDLIQFYOKN-HSZRJFAPSA-N 2 0 395.547 3.002 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271869177 1434856034 /nfs/dbraw/zinc/85/60/34/1434856034.db2.gz JRGJDCALBQMGMB-APWZRJJASA-N 2 0 394.922 3.033 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)cn2)CC1 ZINC000272201175 1434877708 /nfs/dbraw/zinc/87/77/08/1434877708.db2.gz YCKBAWNJNFMZHB-UHFFFAOYSA-N 2 0 396.535 3.079 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272207991 1434878125 /nfs/dbraw/zinc/87/81/25/1434878125.db2.gz PRRMXHIEDQYANJ-GHTZIAJQSA-N 2 0 384.568 3.071 20 0 GGADRP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000272298897 1434885412 /nfs/dbraw/zinc/88/54/12/1434885412.db2.gz GPPBKLAQZDPKKG-OAQYLSRUSA-N 2 0 398.576 3.028 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307449 1434885910 /nfs/dbraw/zinc/88/59/10/1434885910.db2.gz IBIIUPNVMYUCCE-BBTUJRGHSA-N 2 0 376.508 3.224 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272305633 1434885953 /nfs/dbraw/zinc/88/59/53/1434885953.db2.gz JTFAGWACWDNWID-ILWGZMRPSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272345897 1434889092 /nfs/dbraw/zinc/88/90/92/1434889092.db2.gz PTABIZQODKBOOA-UYAOXDASSA-N 2 0 381.520 3.384 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272345892 1434889195 /nfs/dbraw/zinc/88/91/95/1434889195.db2.gz PTABIZQODKBOOA-ICSRJNTNSA-N 2 0 381.520 3.384 20 0 GGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272449717 1434897147 /nfs/dbraw/zinc/89/71/47/1434897147.db2.gz PLOGFYPPXJBGNS-NQIIRXRSSA-N 2 0 386.540 3.109 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272468120 1434898254 /nfs/dbraw/zinc/89/82/54/1434898254.db2.gz HYGUMRCJLBXPML-WSWWRLHASA-N 2 0 384.568 3.023 20 0 GGADRP Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(OCC[NH+](C)C)c1 ZINC000272536652 1434905234 /nfs/dbraw/zinc/90/52/34/1434905234.db2.gz GILQGCCGUPLVEP-KRWDZBQOSA-N 2 0 376.545 3.129 20 0 GGADRP C[C@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000272694794 1434923547 /nfs/dbraw/zinc/92/35/47/1434923547.db2.gz DDBRVKLDSIFPQD-LMVRJCEZSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000272694792 1434923623 /nfs/dbraw/zinc/92/36/23/1434923623.db2.gz DDBRVKLDSIFPQD-FHWLQOOXSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC(=O)OC(C)(C)C ZINC000272711617 1434925137 /nfs/dbraw/zinc/92/51/37/1434925137.db2.gz BKACLGMSDYPASL-MBOZVWFJSA-N 2 0 391.556 3.035 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272889607 1434939038 /nfs/dbraw/zinc/93/90/38/1434939038.db2.gz YZWBOGPJGQKCOS-TXPKVOOTSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000272945894 1434943125 /nfs/dbraw/zinc/94/31/25/1434943125.db2.gz MJJRHMZHVPXUNE-MRXNPFEDSA-N 2 0 378.948 3.064 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000272945893 1434943151 /nfs/dbraw/zinc/94/31/51/1434943151.db2.gz MJJRHMZHVPXUNE-INIZCTEOSA-N 2 0 378.948 3.064 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272956639 1434944039 /nfs/dbraw/zinc/94/40/39/1434944039.db2.gz NAYNMSLWAPELIG-QGZVFWFLSA-N 2 0 378.586 3.252 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000272963366 1434944762 /nfs/dbraw/zinc/94/47/62/1434944762.db2.gz NRGXXKXVEKXJSB-AJSBUHFISA-N 2 0 396.579 3.333 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000272994102 1434947787 /nfs/dbraw/zinc/94/77/87/1434947787.db2.gz QKBKVZATCHXSDA-PZJWPPBQSA-N 2 0 384.568 3.190 20 0 GGADRP C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000273000289 1434948509 /nfs/dbraw/zinc/94/85/09/1434948509.db2.gz RDGMFJMIANUKDP-OXQOHEQNSA-N 2 0 395.469 3.208 20 0 GGADRP C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000273000286 1434948593 /nfs/dbraw/zinc/94/85/93/1434948593.db2.gz RDGMFJMIANUKDP-OXJNMPFZSA-N 2 0 395.469 3.208 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000273369343 1434983771 /nfs/dbraw/zinc/98/37/71/1434983771.db2.gz GNISTCNLLXUPKB-LJQANCHMSA-N 2 0 386.584 3.270 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnccc2N(C)C)cc1OC ZINC000273581213 1434998103 /nfs/dbraw/zinc/99/81/03/1434998103.db2.gz IGPGEVBGYUSJGZ-UHFFFAOYSA-N 2 0 386.540 3.167 20 0 GGADRP CCn1nc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccccc21 ZINC000274393911 1435067551 /nfs/dbraw/zinc/06/75/51/1435067551.db2.gz CZDGYWXURAIDBP-UHFFFAOYSA-N 2 0 378.520 3.303 20 0 GGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000274660353 1435083943 /nfs/dbraw/zinc/08/39/43/1435083943.db2.gz DSBGDTGPAPJVTR-OAHLLOKOSA-N 2 0 389.544 3.008 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274749791 1435089589 /nfs/dbraw/zinc/08/95/89/1435089589.db2.gz HFIDUINYCHRGCW-QUURXOELSA-N 3 0 393.575 3.253 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274749790 1435089667 /nfs/dbraw/zinc/08/96/67/1435089667.db2.gz HFIDUINYCHRGCW-OPHFCASCSA-N 3 0 393.575 3.253 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000274776952 1435091581 /nfs/dbraw/zinc/09/15/81/1435091581.db2.gz DXVXFALXHCWKMX-FQEVSTJZSA-N 2 0 399.583 3.024 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000274830421 1435096290 /nfs/dbraw/zinc/09/62/90/1435096290.db2.gz JKXQRXYUWTUIIH-QUCCMNQESA-N 2 0 386.540 3.396 20 0 GGADRP CC1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000274990467 1435108061 /nfs/dbraw/zinc/10/80/61/1435108061.db2.gz XACVSWNYKPQEIB-UHFFFAOYSA-N 2 0 399.579 3.050 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275649104 1435156320 /nfs/dbraw/zinc/15/63/20/1435156320.db2.gz MRJWHDGRCPLIEP-UHFFFAOYSA-N 2 0 398.551 3.443 20 0 GGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000275665495 1435157880 /nfs/dbraw/zinc/15/78/80/1435157880.db2.gz BUUCGQFGDDSTSX-RZUBCFFCSA-N 2 0 385.556 3.197 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000275665504 1435158018 /nfs/dbraw/zinc/15/80/18/1435158018.db2.gz BUUCGQFGDDSTSX-VWPQPMDRSA-N 2 0 385.556 3.197 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000275804091 1435171143 /nfs/dbraw/zinc/17/11/43/1435171143.db2.gz DFKIVBIOIIFIGL-ZRBLBEILSA-N 2 0 397.567 3.075 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000275879589 1435176556 /nfs/dbraw/zinc/17/65/56/1435176556.db2.gz OWXRBKZHZUMLPI-QHCPKHFHSA-N 2 0 393.535 3.448 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000275928011 1435180300 /nfs/dbraw/zinc/18/03/00/1435180300.db2.gz QZZGRNXGGRNHJN-ILWGZMRPSA-N 2 0 379.552 3.187 20 0 GGADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276110571 1435191470 /nfs/dbraw/zinc/19/14/70/1435191470.db2.gz CZGXDEOEVPAUAL-GHTZIAJQSA-N 2 0 386.584 3.243 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000276112161 1435191750 /nfs/dbraw/zinc/19/17/50/1435191750.db2.gz AYETUWBVQSZUEO-HNNXBMFYSA-N 2 0 391.537 3.154 20 0 GGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276653288 1435222875 /nfs/dbraw/zinc/22/28/75/1435222875.db2.gz QCWNYSCPXJITQE-CWAQXLGLSA-N 2 0 389.543 3.300 20 0 GGADRP COCCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000276658643 1435223092 /nfs/dbraw/zinc/22/30/92/1435223092.db2.gz VPQGOWGAYKPNEF-KNQAVFIVSA-N 2 0 382.552 3.164 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000276919673 1435243036 /nfs/dbraw/zinc/24/30/36/1435243036.db2.gz QPCQAOYLNRUVCZ-INIZCTEOSA-N 2 0 377.529 3.133 20 0 GGADRP C[C@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)[NH+]1CCCCCC1 ZINC000276925868 1435243460 /nfs/dbraw/zinc/24/34/60/1435243460.db2.gz NGZDWMBVODQFOU-QGZVFWFLSA-N 2 0 384.528 3.211 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000276946754 1435245825 /nfs/dbraw/zinc/24/58/25/1435245825.db2.gz IIWVFPZWUJVNFM-UHFFFAOYSA-N 2 0 381.520 3.057 20 0 GGADRP C[C@@H](c1nc(-c2ccc(N3CCC[NH+](C)CC3)nc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276981623 1435249384 /nfs/dbraw/zinc/24/93/84/1435249384.db2.gz WBQXWBMHBQYGFU-BBWFWOEESA-N 2 0 384.528 3.207 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277024913 1435253158 /nfs/dbraw/zinc/25/31/58/1435253158.db2.gz JNPRMUYLRXLBGS-FQEVSTJZSA-N 2 0 381.524 3.088 20 0 GGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000277032555 1435254288 /nfs/dbraw/zinc/25/42/88/1435254288.db2.gz FKSKHDDEQRLMQU-WWNPGLIZSA-N 2 0 391.563 3.336 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000277056182 1435257091 /nfs/dbraw/zinc/25/70/91/1435257091.db2.gz IZBJJPCTIYKMSC-FQEVSTJZSA-N 2 0 388.556 3.499 20 0 GGADRP CCCn1ccnc1CCC[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000277056026 1435257178 /nfs/dbraw/zinc/25/71/78/1435257178.db2.gz IZLDEBWTKPMFNF-UHFFFAOYSA-N 2 0 393.553 3.030 20 0 GGADRP CCCn1ccnc1CCCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000277114258 1435263300 /nfs/dbraw/zinc/26/33/00/1435263300.db2.gz YAMXQJIDMVQKOE-HXUWFJFHSA-N 2 0 385.556 3.040 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277145356 1435268286 /nfs/dbraw/zinc/26/82/86/1435268286.db2.gz PTRGMUPFNXWHGC-SFHVURJKSA-N 2 0 376.545 3.355 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1O ZINC000277242874 1435283784 /nfs/dbraw/zinc/28/37/84/1435283784.db2.gz ONGRNKVIRAVWHA-DBVUQKKJSA-N 2 0 376.541 3.079 20 0 GGADRP C[NH+](C)CCn1ncc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1-c1ccccc1 ZINC000277283439 1435289207 /nfs/dbraw/zinc/28/92/07/1435289207.db2.gz CIZWHTTZDVJXLT-UHFFFAOYSA-N 2 0 397.567 3.104 20 0 GGADRP CN(c1ccccc1C[NH2+]CCOCC(F)(F)C(F)F)C1CC[NH+](C)CC1 ZINC000277537266 1435311438 /nfs/dbraw/zinc/31/14/38/1435311438.db2.gz VYAVNNZTHVUCEU-UHFFFAOYSA-N 2 0 391.453 3.224 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278082080 1435357343 /nfs/dbraw/zinc/35/73/43/1435357343.db2.gz PEKPYXOYFZURCZ-RXVVDRJESA-N 2 0 384.568 3.213 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278251438 1435373480 /nfs/dbraw/zinc/37/34/80/1435373480.db2.gz VYXGONCBAHTBFL-NRFANRHFSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363135 1435384049 /nfs/dbraw/zinc/38/40/49/1435384049.db2.gz BMDUAHMERJCHLX-RTBURBONSA-N 2 0 386.540 3.151 20 0 GGADRP Cn1nccc1N1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278506203 1435395759 /nfs/dbraw/zinc/39/57/59/1435395759.db2.gz QXSGYZRRQOKWSR-KJJMTIBFSA-N 2 0 379.552 3.174 20 0 GGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279705289 1435532295 /nfs/dbraw/zinc/53/22/95/1435532295.db2.gz KEVRMIDLPAPNQS-BKSPAHHJSA-N 2 0 395.591 3.234 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279776140 1435541585 /nfs/dbraw/zinc/54/15/85/1435541585.db2.gz AORSROGKKNRGBZ-QHCPKHFHSA-N 2 0 394.494 3.258 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000279851864 1435552011 /nfs/dbraw/zinc/55/20/11/1435552011.db2.gz IKCFBNMJWPNDOY-MSOLQXFVSA-N 2 0 398.551 3.132 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000279907305 1435561444 /nfs/dbraw/zinc/56/14/44/1435561444.db2.gz LPLKNVOKYAYWTA-RBUKOAKNSA-N 2 0 377.573 3.203 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000279997037 1435574036 /nfs/dbraw/zinc/57/40/36/1435574036.db2.gz RNZKRYOTYAMBGE-GGPKGHCWSA-N 2 0 377.573 3.057 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)[C@@H](C)C1 ZINC000280125739 1435596528 /nfs/dbraw/zinc/59/65/28/1435596528.db2.gz AIJVZKBYGCBMMO-LPHOPBHVSA-N 2 0 391.947 3.147 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000280310642 1435632047 /nfs/dbraw/zinc/63/20/47/1435632047.db2.gz OSEKRDJXURBXAX-LPWQTFTOSA-N 2 0 376.541 3.163 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC000280310640 1435632398 /nfs/dbraw/zinc/63/23/98/1435632398.db2.gz OSEKRDJXURBXAX-GIYDNNGJSA-N 2 0 376.541 3.163 20 0 GGADRP CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000280510824 1435671692 /nfs/dbraw/zinc/67/16/92/1435671692.db2.gz NNWGUUQBMZMQCT-CVDCTZTESA-N 2 0 387.568 3.047 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280784375 1435719969 /nfs/dbraw/zinc/71/99/69/1435719969.db2.gz FXMWWFBXSUCGHE-QYZOEREBSA-N 2 0 377.573 3.059 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923685 1435742383 /nfs/dbraw/zinc/74/23/83/1435742383.db2.gz RFTQNJXVYLGTLR-GOTSBHOMSA-N 2 0 392.547 3.410 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000281120341 1435778888 /nfs/dbraw/zinc/77/88/88/1435778888.db2.gz DCPSAQCJXMRYOW-NHCUHLMSSA-N 2 0 379.552 3.353 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)C1 ZINC000281172535 1435789035 /nfs/dbraw/zinc/78/90/35/1435789035.db2.gz HYZKTSQETQFGID-SIKLNZKXSA-N 2 0 396.510 3.159 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000281258865 1435801198 /nfs/dbraw/zinc/80/11/98/1435801198.db2.gz OJIHORDPVKHZBI-NHCUHLMSSA-N 2 0 379.552 3.353 20 0 GGADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000281362822 1435805693 /nfs/dbraw/zinc/80/56/93/1435805693.db2.gz MDNBXZMGVHQOSI-UHFFFAOYSA-N 2 0 390.597 3.228 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCC[NH+]3CCCC3)c(C)c2)CC1 ZINC000281428773 1435808573 /nfs/dbraw/zinc/80/85/73/1435808573.db2.gz SGAOWMUFVMUEMN-UHFFFAOYSA-N 2 0 387.572 3.087 20 0 GGADRP Cn1c(Cl)cnc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000281589475 1435814907 /nfs/dbraw/zinc/81/49/07/1435814907.db2.gz DWIAGBIYHFPFRP-UHFFFAOYSA-N 2 0 376.932 3.234 20 0 GGADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000281611038 1435815556 /nfs/dbraw/zinc/81/55/56/1435815556.db2.gz BFFJHSUGVAMFHP-PKOBYXMFSA-N 2 0 383.458 3.028 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281887749 1435825536 /nfs/dbraw/zinc/82/55/36/1435825536.db2.gz ASXCFJRXDPXSCV-KNQAVFIVSA-N 2 0 399.579 3.095 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)s2)cn1 ZINC000282156131 1435836664 /nfs/dbraw/zinc/83/66/64/1435836664.db2.gz CJVAJDMQVBCFQK-FQEVSTJZSA-N 2 0 396.560 3.395 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)s2)cn1 ZINC000282270964 1435841136 /nfs/dbraw/zinc/84/11/36/1435841136.db2.gz OQNNVAHKLPDZGA-LJQANCHMSA-N 2 0 382.533 3.005 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282402234 1435845946 /nfs/dbraw/zinc/84/59/46/1435845946.db2.gz FIIFSWZVHVOZMK-HSZRJFAPSA-N 2 0 386.628 3.293 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000282685108 1435856296 /nfs/dbraw/zinc/85/62/96/1435856296.db2.gz AIOGOUSWLBKMOP-YPAWHYETSA-N 2 0 387.568 3.030 20 0 GGADRP CCc1ccc(-c2noc([C@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000283226723 1435880182 /nfs/dbraw/zinc/88/01/82/1435880182.db2.gz IIHKUYZMZOSAJX-SFHVURJKSA-N 2 0 385.556 3.366 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000283248542 1435881193 /nfs/dbraw/zinc/88/11/93/1435881193.db2.gz JSPWOJNINZTCSZ-VXKWHMMOSA-N 2 0 386.628 3.149 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320074 1435884264 /nfs/dbraw/zinc/88/42/64/1435884264.db2.gz OQRBHNNLEYGGCX-FGZHOGPDSA-N 2 0 377.548 3.394 20 0 GGADRP Cc1cc(-c2noc([C@@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)n2)ccc1F ZINC000283374354 1435886692 /nfs/dbraw/zinc/88/66/92/1435886692.db2.gz SOBAPPIHDSIKRD-QGZVFWFLSA-N 2 0 389.519 3.251 20 0 GGADRP CC(C)OC(=O)C[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000283449346 1435890289 /nfs/dbraw/zinc/89/02/89/1435890289.db2.gz YCWFPBLHGLKDDA-NRFANRHFSA-N 2 0 375.557 3.075 20 0 GGADRP C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc3c[nH+]cn3c1)c1ccccc1O2 ZINC000283952820 1435960574 /nfs/dbraw/zinc/96/05/74/1435960574.db2.gz KLGSABXGLDYLHE-IBGZPJMESA-N 2 0 376.460 3.052 20 0 GGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000284104631 1435991017 /nfs/dbraw/zinc/99/10/17/1435991017.db2.gz MSIQCXNVTXSKLY-OEMFJLHTSA-N 2 0 383.580 3.226 20 0 GGADRP c1csc(CC[NH+]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000284139324 1435997553 /nfs/dbraw/zinc/99/75/53/1435997553.db2.gz OSUWOSBBWMRSAG-JOCHJYFZSA-N 2 0 399.604 3.199 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC000284415920 1436020223 /nfs/dbraw/zinc/02/02/23/1436020223.db2.gz RXCOTUKGBIGDJS-UHFFFAOYSA-N 2 0 377.492 3.365 20 0 GGADRP FC(F)(F)[C@H]1N(c2cccc(OCC[NH+]3CCCC3)n2)CCC12CC[NH2+]CC2 ZINC001164388482 718815000 /nfs/dbraw/zinc/81/50/00/718815000.db2.gz OLJKFAPFWAARCK-SFHVURJKSA-N 2 0 398.473 3.067 20 0 GGADRP FC(F)(F)[C@@H]1N(c2cccc(OCC[NH+]3CCCC3)n2)CCC12CC[NH2+]CC2 ZINC001164388480 718815074 /nfs/dbraw/zinc/81/50/74/718815074.db2.gz OLJKFAPFWAARCK-GOSISDBHSA-N 2 0 398.473 3.067 20 0 GGADRP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)cc1 ZINC001164625970 719047285 /nfs/dbraw/zinc/04/72/85/719047285.db2.gz QAUJMWSPYDATBA-QPPBQGQZSA-N 2 0 392.547 3.140 20 0 GGADRP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nccc(C3CC[NH2+]CC3)n2)cc1 ZINC001164628800 719088832 /nfs/dbraw/zinc/08/88/32/719088832.db2.gz OIPOAXXVQQFWJO-UNMCSNQZSA-N 2 0 377.536 3.044 20 0 GGADRP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626715 719091844 /nfs/dbraw/zinc/09/18/44/719091844.db2.gz IOKXGACRBQYETL-RBBKRZOGSA-N 2 0 391.563 3.110 20 0 GGADRP [NH3+]C1([C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164627454 719117187 /nfs/dbraw/zinc/11/71/87/719117187.db2.gz KMDOKBICULVFII-VQTJNVASSA-N 2 0 380.511 3.153 20 0 GGADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(n2)CC[NH2+]C4)CC3)cs1 ZINC001164690828 719804765 /nfs/dbraw/zinc/80/47/65/719804765.db2.gz AMSNLKWDCIQGDG-UHFFFAOYSA-N 2 0 383.565 3.127 20 0 GGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164712713 720098340 /nfs/dbraw/zinc/09/83/40/720098340.db2.gz YLJQYUAMYBGTQR-LJQANCHMSA-N 2 0 391.519 3.465 20 0 GGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164711055 720099782 /nfs/dbraw/zinc/09/97/82/720099782.db2.gz NPRWTUXWNQDJLU-HXUWFJFHSA-N 2 0 395.551 3.050 20 0 GGADRP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164823294 720328464 /nfs/dbraw/zinc/32/84/64/720328464.db2.gz AIUWZEYXKLRZCT-FGZHOGPDSA-N 2 0 392.547 3.455 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1 ZINC001164735013 720532230 /nfs/dbraw/zinc/53/22/30/720532230.db2.gz MPBGMTOURNUCEH-PZJWPPBQSA-N 2 0 396.583 3.413 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1 ZINC001164736053 720532530 /nfs/dbraw/zinc/53/25/30/720532530.db2.gz UVYYNHPNKORRDZ-QUCCMNQESA-N 2 0 382.556 3.023 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1 ZINC001164736054 720532718 /nfs/dbraw/zinc/53/27/18/720532718.db2.gz UVYYNHPNKORRDZ-UYAOXDASSA-N 2 0 382.556 3.023 20 0 GGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164835516 720556098 /nfs/dbraw/zinc/55/60/98/720556098.db2.gz HQRIIIUGGKJJHI-BBTUJRGHSA-N 2 0 378.524 3.446 20 0 GGADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc2[nH]ccc21 ZINC001164841285 720587120 /nfs/dbraw/zinc/58/71/20/720587120.db2.gz RUKQFHGEMVMUAD-WAOWUJCRSA-N 2 0 378.524 3.446 20 0 GGADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)CC2)cc1 ZINC001164758787 721042430 /nfs/dbraw/zinc/04/24/30/721042430.db2.gz BKBHVKJLYQPEHZ-UHFFFAOYSA-N 2 0 391.563 3.313 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c(C)c[nH+]3)C2)C1 ZINC001164783078 721369169 /nfs/dbraw/zinc/36/91/69/721369169.db2.gz PECYRJKEFNAFCO-JOCHJYFZSA-N 2 0 384.524 3.422 20 0 GGADRP Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(N(C)C)[nH+]1 ZINC001164792742 721490622 /nfs/dbraw/zinc/49/06/22/721490622.db2.gz LFKLOVXNRNMIBC-UHFFFAOYSA-N 2 0 380.540 3.127 20 0 GGADRP Cc1cc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001164806719 721560259 /nfs/dbraw/zinc/56/02/59/721560259.db2.gz RFZJRMJEWNNNSS-HKBOAZHASA-N 2 0 377.492 3.135 20 0 GGADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906425 721565660 /nfs/dbraw/zinc/56/56/60/721565660.db2.gz IZZBNKQOBLGPQE-IRLDBZIGSA-N 2 0 396.510 3.158 20 0 GGADRP Cc1[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc2[nH]ccc21 ZINC001164805377 721572297 /nfs/dbraw/zinc/57/22/97/721572297.db2.gz NDKGDDVXSYNOCU-JAXLGGSGSA-N 2 0 377.492 3.135 20 0 GGADRP Fc1ccc(-c2nn(-c3ncccc3C[NH+]3CCCC3)c3c2CC[NH2+]CC3)cc1 ZINC001164802071 721597385 /nfs/dbraw/zinc/59/73/85/721597385.db2.gz SPSNPKKELJKTPK-UHFFFAOYSA-N 2 0 391.494 3.357 20 0 GGADRP CN(C)c1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906707 721703017 /nfs/dbraw/zinc/70/30/17/721703017.db2.gz PDZIVNWDMFJYQS-FQEVSTJZSA-N 2 0 387.478 3.280 20 0 GGADRP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020420 721798118 /nfs/dbraw/zinc/79/81/18/721798118.db2.gz FRPKDGPQBVYFMU-JBACZVJFSA-N 2 0 394.567 3.373 20 0 GGADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027568 721827408 /nfs/dbraw/zinc/82/74/08/721827408.db2.gz SQTJEPJGKZLPJF-NNWRFLSQSA-N 2 0 379.552 3.275 20 0 GGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)C[C@H]21 ZINC001165030229 721828027 /nfs/dbraw/zinc/82/80/27/721828027.db2.gz ZCABJOJTVPAOFL-STZQEDGTSA-N 2 0 388.519 3.399 20 0 GGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)C[C@@H]21 ZINC001165030457 721828150 /nfs/dbraw/zinc/82/81/50/721828150.db2.gz ZCABJOJTVPAOFL-YUXAGFNASA-N 2 0 388.519 3.399 20 0 GGADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C[NH+](C)C)ccn2)CC1 ZINC001165030244 721844149 /nfs/dbraw/zinc/84/41/49/721844149.db2.gz FWLVHTWDVZGFQD-UHFFFAOYSA-N 2 0 398.551 3.261 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)c2)CC1 ZINC001165052229 721993637 /nfs/dbraw/zinc/99/36/37/721993637.db2.gz VESXMKCQSRWQRP-MRXNPFEDSA-N 2 0 375.513 3.113 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H](C(=O)OC(C)(C)C)C3)c2)CC1 ZINC001165052228 721993729 /nfs/dbraw/zinc/99/37/29/721993729.db2.gz VESXMKCQSRWQRP-INIZCTEOSA-N 2 0 375.513 3.113 20 0 GGADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164954055 722012318 /nfs/dbraw/zinc/01/23/18/722012318.db2.gz HUMMQQWNQBZBOD-UHFFFAOYSA-N 2 0 380.540 3.129 20 0 GGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967601 722073257 /nfs/dbraw/zinc/07/32/57/722073257.db2.gz RMMNXDPBNXLRSW-OYRHEFFESA-N 2 0 388.515 3.384 20 0 GGADRP Cc1ccc(N(c2cc(C[NH+](C)C)ccn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968378 722078687 /nfs/dbraw/zinc/07/86/87/722078687.db2.gz AICMWGJGWHPUSW-UHFFFAOYSA-N 2 0 388.519 3.400 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824579460 946828285 /nfs/dbraw/zinc/82/82/85/946828285.db2.gz ZMDJQVQURABFNI-MJGOQNOKSA-N 2 0 376.508 3.430 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824579458 946829035 /nfs/dbraw/zinc/82/90/35/946829035.db2.gz ZMDJQVQURABFNI-IEBWSBKVSA-N 2 0 376.508 3.430 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825412072 947181281 /nfs/dbraw/zinc/18/12/81/947181281.db2.gz JFHNHCHMIAEROW-UHFFFAOYSA-N 2 0 386.544 3.080 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC001594426037 999591635 /nfs/dbraw/zinc/59/16/35/999591635.db2.gz GDKWHONNQXYGSQ-UHFFFAOYSA-N 2 0 387.568 3.337 20 0 GGADRP Cc1cccc(C[C@H](CO)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000189005733 1126077713 /nfs/dbraw/zinc/07/77/13/1126077713.db2.gz PBYBKSQPXZNVAC-JOCHJYFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000188920100 1126077070 /nfs/dbraw/zinc/07/70/70/1126077070.db2.gz PPVIOZYNZYRKMF-QFIPXVFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1ccc(C[C@H](CO)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000188968284 1126077403 /nfs/dbraw/zinc/07/74/03/1126077403.db2.gz OWLFUDINKHLATD-JOCHJYFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1cccc(C[C@H](CO)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000466910777 1126093860 /nfs/dbraw/zinc/09/38/60/1126093860.db2.gz YLSDEDFJCGMINR-LJQANCHMSA-N 2 0 387.955 3.093 20 0 GGADRP Cc1ccccc1C[C@@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000466917405 1126094347 /nfs/dbraw/zinc/09/43/47/1126094347.db2.gz PQBVOEDHBKNTPY-IBGZPJMESA-N 2 0 387.955 3.093 20 0 GGADRP Cc1ccc(C[C@H](CO)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000466916004 1126094493 /nfs/dbraw/zinc/09/44/93/1126094493.db2.gz DYWNLNAOVABSKV-LJQANCHMSA-N 2 0 387.955 3.093 20 0 GGADRP CN(c1ccccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000480462899 1126094708 /nfs/dbraw/zinc/09/47/08/1126094708.db2.gz AVZBHYXDIAAKEF-OAQYLSRUSA-N 2 0 385.527 3.049 20 0 GGADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H]([NH2+]Cc1cnc(-c3cccs3)s1)[C@@H](O)C2 ZINC001550421873 1126206402 /nfs/dbraw/zinc/20/64/02/1126206402.db2.gz HHTQXMAYAIPDQR-YEWFCNIMSA-N 2 0 377.579 3.441 20 0 GGADRP CC[N@@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423933 1126206761 /nfs/dbraw/zinc/20/67/61/1126206761.db2.gz URDQNMREEXZIEJ-JMVFIXPQSA-N 2 0 375.538 3.363 20 0 GGADRP c1cnc(Oc2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2)cn1 ZINC000359871619 206265370 /nfs/dbraw/zinc/26/53/70/206265370.db2.gz JSXLDGAKMIUXEP-UHFFFAOYSA-N 2 0 382.508 3.203 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@H]1CCC[NH2+]C1 ZINC000423212345 566481520 /nfs/dbraw/zinc/48/15/20/566481520.db2.gz IFIARVKJKANZCM-LOWVWBTDSA-N 2 0 376.257 3.469 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F)CN1CC[NH+](C)CC1 ZINC000121016013 564348153 /nfs/dbraw/zinc/34/81/53/564348153.db2.gz SGIFOUCADFNLCK-ZIAGYGMSSA-N 2 0 375.891 3.476 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000121139362 564354934 /nfs/dbraw/zinc/35/49/34/564354934.db2.gz GOHFYBOJWNSAGE-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000121139521 564354991 /nfs/dbraw/zinc/35/49/91/564354991.db2.gz GOHFYBOJWNSAGE-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP CCOc1c(Br)cc(C[NH2+]CCCC[NH3+])cc1Br ZINC000037715423 564422170 /nfs/dbraw/zinc/42/21/70/564422170.db2.gz CNWAXAPKRKUGMD-UHFFFAOYSA-N 2 0 380.124 3.439 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000123869216 564464611 /nfs/dbraw/zinc/46/46/11/564464611.db2.gz HOBZTNWSBXCMOM-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000124319844 564478834 /nfs/dbraw/zinc/47/88/34/564478834.db2.gz SQUKJKPALNUECH-OAHLLOKOSA-N 2 0 398.389 3.382 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000124355197 564479452 /nfs/dbraw/zinc/47/94/52/564479452.db2.gz MNIGOPICNGAJPU-LJQANCHMSA-N 2 0 398.364 3.439 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125441769 564515008 /nfs/dbraw/zinc/51/50/08/564515008.db2.gz LDKCYINNVOYMQU-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP COCCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127484945 564585514 /nfs/dbraw/zinc/58/55/14/564585514.db2.gz JSTBZHAOFXTIJT-QFBILLFUSA-N 2 0 398.389 3.142 20 0 GGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128708955 564627523 /nfs/dbraw/zinc/62/75/23/564627523.db2.gz DPNRDJCRANQZMM-HNNXBMFYSA-N 2 0 386.353 3.136 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000056522277 564649669 /nfs/dbraw/zinc/64/96/69/564649669.db2.gz BXVWHRLUJPRLOF-UHFFFAOYSA-N 2 0 382.346 3.441 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522453 564650094 /nfs/dbraw/zinc/65/00/94/564650094.db2.gz WXUBPSGZRYEHDM-CQSZACIVSA-N 2 0 382.346 3.440 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000132384607 564741623 /nfs/dbraw/zinc/74/16/23/564741623.db2.gz XQKNZVLXLMYXKQ-OALUTQOASA-N 2 0 380.374 3.298 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134316011 564800145 /nfs/dbraw/zinc/80/01/45/564800145.db2.gz OWTAZETXZCIDNV-KRWDZBQOSA-N 2 0 384.337 3.193 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134310694 564800160 /nfs/dbraw/zinc/80/01/60/564800160.db2.gz UPDXTKMBJNJFFD-KRWDZBQOSA-N 2 0 384.337 3.191 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)N1CC[NH+](C)CC1 ZINC000134308210 564800306 /nfs/dbraw/zinc/80/03/06/564800306.db2.gz NKMHTAJSNOAAJL-ROUUACIJSA-N 2 0 398.364 3.437 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134315774 564800413 /nfs/dbraw/zinc/80/04/13/564800413.db2.gz XHQVQRMPEHXUJY-QGZVFWFLSA-N 2 0 384.337 3.193 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134379050 564800967 /nfs/dbraw/zinc/80/09/67/564800967.db2.gz UQHAEEYWGAPXJS-KSSFIOAISA-N 2 0 398.364 3.439 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134379022 564801305 /nfs/dbraw/zinc/80/13/05/564801305.db2.gz UQHAEEYWGAPXJS-RDTXWAMCSA-N 2 0 398.364 3.439 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134383477 564801585 /nfs/dbraw/zinc/80/15/85/564801585.db2.gz IMUNXTQIEVHXGE-QGZVFWFLSA-N 2 0 384.337 3.193 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134429464 564802627 /nfs/dbraw/zinc/80/26/27/564802627.db2.gz SONKIIASFDGACF-QGZVFWFLSA-N 2 0 384.337 3.191 20 0 GGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000150788115 564891383 /nfs/dbraw/zinc/89/13/83/564891383.db2.gz NIPFYLYUFMSRFO-OAHLLOKOSA-N 2 0 380.330 3.195 20 0 GGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(Br)c1 ZINC000150846206 564893978 /nfs/dbraw/zinc/89/39/78/564893978.db2.gz XZPAOMYYXJMIEI-HNNXBMFYSA-N 2 0 380.330 3.195 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000150984850 564901182 /nfs/dbraw/zinc/90/11/82/564901182.db2.gz LOUDMLFKXMYXSR-MRXNPFEDSA-N 2 0 395.345 3.286 20 0 GGADRP COCCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000151827028 564938090 /nfs/dbraw/zinc/93/80/90/564938090.db2.gz BVVUQIVXTJSQHH-LJQANCHMSA-N 2 0 399.373 3.211 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151840889 564939215 /nfs/dbraw/zinc/93/92/15/564939215.db2.gz SELCTBMIOLOPJH-KGLIPLIRSA-N 2 0 375.340 3.443 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105476469 564967275 /nfs/dbraw/zinc/96/72/75/564967275.db2.gz UGZZOZDGDDLFKO-UHFFFAOYSA-N 2 0 384.351 3.386 20 0 GGADRP CCC[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000152674369 564968113 /nfs/dbraw/zinc/96/81/13/564968113.db2.gz VVRKZBZYHPQBPH-UHFFFAOYSA-N 2 0 382.346 3.033 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154216194 565030199 /nfs/dbraw/zinc/03/01/99/565030199.db2.gz DTCBQTYDDOARPF-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154237843 565031257 /nfs/dbraw/zinc/03/12/57/565031257.db2.gz KRSPBDJNFKOXGD-SFHVURJKSA-N 2 0 384.337 3.193 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154309199 565033344 /nfs/dbraw/zinc/03/33/44/565033344.db2.gz VLEJJQLZBTZAHA-SFHVURJKSA-N 2 0 396.373 3.280 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154309083 565033660 /nfs/dbraw/zinc/03/36/60/565033660.db2.gz VLEJJQLZBTZAHA-GOSISDBHSA-N 2 0 396.373 3.280 20 0 GGADRP Cc1ccc(Br)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000154612828 565046707 /nfs/dbraw/zinc/04/67/07/565046707.db2.gz VAJTVRUBLXIFQM-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155556901 565069006 /nfs/dbraw/zinc/06/90/06/565069006.db2.gz KTIUTJJCQBWVSM-GJZGRUSLSA-N 2 0 384.362 3.134 20 0 GGADRP CCC[NH+]1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000156387094 565084295 /nfs/dbraw/zinc/08/42/95/565084295.db2.gz PWMIEMLFDZERIG-UHFFFAOYSA-N 2 0 382.346 3.033 20 0 GGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000266750302 565090022 /nfs/dbraw/zinc/09/00/22/565090022.db2.gz QHGDTTMLXAJLPN-LJQANCHMSA-N 2 0 397.357 3.059 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158859882 565184793 /nfs/dbraw/zinc/18/47/93/565184793.db2.gz SXMLGPCKBIIEJE-BBRMVZONSA-N 2 0 381.314 3.136 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300534 565185988 /nfs/dbraw/zinc/18/59/88/565185988.db2.gz PKTQCYZMYOBYNS-YXJHDRRASA-N 2 0 383.330 3.141 20 0 GGADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)CC1 ZINC000371331827 565187780 /nfs/dbraw/zinc/18/77/80/565187780.db2.gz KYJRTDHTEPDABI-MRXNPFEDSA-N 2 0 376.595 3.472 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371437065 565194036 /nfs/dbraw/zinc/19/40/36/565194036.db2.gz ARODPEXNZIBZQB-XYPHTWIQSA-N 2 0 380.330 3.383 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371437055 565194128 /nfs/dbraw/zinc/19/41/28/565194128.db2.gz ARODPEXNZIBZQB-COXVUDFISA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294259592 565205660 /nfs/dbraw/zinc/20/56/60/565205660.db2.gz ZVWZACFCSXRSEQ-KSSFIOAISA-N 2 0 384.362 3.250 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000186564509 565268490 /nfs/dbraw/zinc/26/84/90/565268490.db2.gz JQYNHXVDXVHIEW-SUMWQHHRSA-N 2 0 384.337 3.191 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186598450 565271156 /nfs/dbraw/zinc/27/11/56/565271156.db2.gz VNXZSYNNTUMJAC-LSDHHAIUSA-N 2 0 384.362 3.134 20 0 GGADRP COc1c(Br)cccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000187168830 565314751 /nfs/dbraw/zinc/31/47/51/565314751.db2.gz ORAFDTXQOHUQLJ-HUUCEWRRSA-N 2 0 385.346 3.437 20 0 GGADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000274402032 565369823 /nfs/dbraw/zinc/36/98/23/565369823.db2.gz GWSIZJXRLBQVHG-UHFFFAOYSA-N 2 0 389.135 3.145 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315495 565370011 /nfs/dbraw/zinc/37/00/11/565370011.db2.gz QKOAQPCUPAATDB-FUHWJXTLSA-N 2 0 391.357 3.188 20 0 GGADRP CSc1cc(Br)ccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274630574 565375554 /nfs/dbraw/zinc/37/55/54/565375554.db2.gz ZMGJSEJLZFBYGD-AWEZNQCLSA-N 2 0 386.403 3.287 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000188115070 565380302 /nfs/dbraw/zinc/38/03/02/565380302.db2.gz VWXYPLAZHQNBFA-LPHOPBHVSA-N 2 0 382.390 3.242 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000170670483 565385417 /nfs/dbraw/zinc/38/54/17/565385417.db2.gz OZCBAJPCMVCTIW-UHFFFAOYSA-N 2 0 392.341 3.436 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276602471 565454649 /nfs/dbraw/zinc/45/46/49/565454649.db2.gz GWJHRUODYJBTDY-LLVKDONJSA-N 2 0 380.783 3.280 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000276659536 565456849 /nfs/dbraw/zinc/45/68/49/565456849.db2.gz PORNRLCAJWCLNE-CCKFTAQKSA-N 2 0 381.358 3.348 20 0 GGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)CC1 ZINC000377907855 565505665 /nfs/dbraw/zinc/50/56/65/565505665.db2.gz KKJPYRYLCUMKGX-KRWDZBQOSA-N 2 0 386.367 3.473 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)N1CC[NH+](C)CC1 ZINC000390549425 565557112 /nfs/dbraw/zinc/55/71/12/565557112.db2.gz PCJARMIXBQGRKP-HUUCEWRRSA-N 2 0 386.403 3.360 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2sc(Br)cc21)N1CC[NH+](C)CC1 ZINC000390549428 565557488 /nfs/dbraw/zinc/55/74/88/565557488.db2.gz PCJARMIXBQGRKP-LSDHHAIUSA-N 2 0 386.403 3.360 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc(Br)c(Cl)s1)CN1CC[NH+](C)CC1 ZINC000190952501 565572774 /nfs/dbraw/zinc/57/27/74/565572774.db2.gz CUOYRCMXABLTCH-NSHDSACASA-N 2 0 380.783 3.137 20 0 GGADRP Cc1nn(C)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000397546620 565574986 /nfs/dbraw/zinc/57/49/86/565574986.db2.gz ZBGRMAIOWOQMBY-UHFFFAOYSA-N 2 0 391.357 3.493 20 0 GGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000173883774 565596661 /nfs/dbraw/zinc/59/66/61/565596661.db2.gz OUWHOJUACNIJPM-ZDUSSCGKSA-N 2 0 386.309 3.190 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cc1 ZINC000173928462 565599711 /nfs/dbraw/zinc/59/97/11/565599711.db2.gz NEGKMPDJDUMAEA-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000191467519 565606692 /nfs/dbraw/zinc/60/66/92/565606692.db2.gz PVHCNHFXPPTJJV-UHFFFAOYSA-N 2 0 386.353 3.436 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000191499378 565608864 /nfs/dbraw/zinc/60/88/64/565608864.db2.gz YCBKAFKPWDXBMU-UHFFFAOYSA-N 2 0 375.401 3.219 20 0 GGADRP C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)CC1CC[NH+](C)CC1 ZINC000191649195 565619263 /nfs/dbraw/zinc/61/92/63/565619263.db2.gz OEPIIIHOVWZMHN-UHFFFAOYSA-N 2 0 396.373 3.059 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218026 565621011 /nfs/dbraw/zinc/62/10/11/565621011.db2.gz LFVFLWFPYXPZSB-HOTGVXAUSA-N 2 0 396.373 3.290 20 0 GGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279969991 565643139 /nfs/dbraw/zinc/64/31/39/565643139.db2.gz CVZVOSZHRYQULX-LLVKDONJSA-N 2 0 394.368 3.023 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000329281222 565662122 /nfs/dbraw/zinc/66/21/22/565662122.db2.gz ABEQALNCAPTJOI-QGZVFWFLSA-N 2 0 392.341 3.354 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174956765 565669503 /nfs/dbraw/zinc/66/95/03/565669503.db2.gz HZALUTDGUFYUJO-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280958423 565705776 /nfs/dbraw/zinc/70/57/76/565705776.db2.gz URMXMRBLZQXPQJ-QGZVFWFLSA-N 2 0 387.977 3.021 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1=O ZINC000331542448 565767000 /nfs/dbraw/zinc/76/70/00/565767000.db2.gz MARNBEZBODYYSV-OFLPRAFFSA-N 2 0 394.357 3.421 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974424 565787298 /nfs/dbraw/zinc/78/72/98/565787298.db2.gz CWIDICNOLAIQGF-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)CN1CC[NH+](C)CC1 ZINC000194024551 565790721 /nfs/dbraw/zinc/79/07/21/565790721.db2.gz FDHZOVSBEHFODQ-LSJNQWAISA-N 2 0 380.374 3.168 20 0 GGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000177259945 565838830 /nfs/dbraw/zinc/83/88/30/565838830.db2.gz VXECWBMJLWKVGK-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000333636408 565889824 /nfs/dbraw/zinc/88/98/24/565889824.db2.gz BOJYHZOVYNMLMO-QAPCUYQASA-N 2 0 376.298 3.330 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c2ccsc2S1 ZINC000414191340 565902758 /nfs/dbraw/zinc/90/27/58/565902758.db2.gz LJQNGDDPMUXEDI-DOTOQJQBSA-N 2 0 381.611 3.060 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000414199124 565902766 /nfs/dbraw/zinc/90/27/66/565902766.db2.gz QPDUZGHDAFJYIC-HNNXBMFYSA-N 2 0 386.367 3.441 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000414204926 565902827 /nfs/dbraw/zinc/90/28/27/565902827.db2.gz WVGLSRSPPTZSQE-OAHLLOKOSA-N 2 0 386.367 3.441 20 0 GGADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192569 565902928 /nfs/dbraw/zinc/90/29/28/565902928.db2.gz SLGRMIQANZERQR-PBHICJAKSA-N 2 0 387.977 3.021 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000178359488 565915222 /nfs/dbraw/zinc/91/52/22/565915222.db2.gz DIXPLAFGOMDGOQ-UHFFFAOYSA-N 2 0 396.373 3.422 20 0 GGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)CC1 ZINC000414556725 565948092 /nfs/dbraw/zinc/94/80/92/565948092.db2.gz OUBLCOYMNSMDBO-UHFFFAOYSA-N 2 0 377.941 3.389 20 0 GGADRP COc1ccc(Br)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237130262 565952823 /nfs/dbraw/zinc/95/28/23/565952823.db2.gz AFBLLVRUAAQYEN-HUUCEWRRSA-N 2 0 385.346 3.437 20 0 GGADRP C[C@H]1C[C@H](C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC[NH2+]1 ZINC000414728144 565957992 /nfs/dbraw/zinc/95/79/92/565957992.db2.gz CDAFNUOYNACBSF-QWHCGFSZSA-N 2 0 376.854 3.264 20 0 GGADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)ccc1Br ZINC000414755711 565958505 /nfs/dbraw/zinc/95/85/05/565958505.db2.gz PLAVOQKAVGSLDK-YJBOKZPZSA-N 2 0 394.357 3.092 20 0 GGADRP CC(C)C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414757433 565958892 /nfs/dbraw/zinc/95/88/92/565958892.db2.gz SPKFGEPRXILNOR-MRXNPFEDSA-N 2 0 396.373 3.104 20 0 GGADRP Fc1ccc(I)c(F)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414834161 565962982 /nfs/dbraw/zinc/96/29/82/565962982.db2.gz GYVFVMZGKKPXIE-JTQLQIEISA-N 2 0 380.220 3.049 20 0 GGADRP CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH3+])cc1Br ZINC000414886086 565963309 /nfs/dbraw/zinc/96/33/09/565963309.db2.gz PMDOZVPEOODILK-SECBINFHSA-N 2 0 380.124 3.295 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844389 565963891 /nfs/dbraw/zinc/96/38/91/565963891.db2.gz DQRQLWQQKIELSP-HNNXBMFYSA-N 2 0 385.346 3.344 20 0 GGADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414836993 565964080 /nfs/dbraw/zinc/96/40/80/565964080.db2.gz VHPYPUAEQYKMMG-SNVBAGLBSA-N 2 0 379.245 3.148 20 0 GGADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH2+]C)cc(Br)c1OC(F)F ZINC000414850178 565964393 /nfs/dbraw/zinc/96/43/93/565964393.db2.gz YYWXIRSHGFSTPU-SNVBAGLBSA-N 2 0 381.261 3.394 20 0 GGADRP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]C1 ZINC000414916192 565964793 /nfs/dbraw/zinc/96/47/93/565964793.db2.gz OYZIJGQXLBDQLJ-IBGZPJMESA-N 2 0 380.374 3.393 20 0 GGADRP CC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[NH2+]CC1 ZINC000414914309 565965224 /nfs/dbraw/zinc/96/52/24/565965224.db2.gz XXUDZMXGEYLWPF-UHFFFAOYSA-N 2 0 380.374 3.393 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414905431 565965283 /nfs/dbraw/zinc/96/52/83/565965283.db2.gz NTEZURBBTQEOJU-MRXNPFEDSA-N 2 0 394.357 3.094 20 0 GGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237607456 565965459 /nfs/dbraw/zinc/96/54/59/565965459.db2.gz SETJHUOHZALQOM-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929751 565965419 /nfs/dbraw/zinc/96/54/19/565965419.db2.gz RZBCDJDSNPILPQ-LSDHHAIUSA-N 2 0 399.329 3.059 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897400 565965718 /nfs/dbraw/zinc/96/57/18/565965718.db2.gz DYLODTNEGSQQSM-UHFFFAOYSA-N 2 0 385.346 3.344 20 0 GGADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC(F)F ZINC000414924750 565965806 /nfs/dbraw/zinc/96/58/06/565965806.db2.gz KOIFJEQKGAGYHV-MNOVXSKESA-N 2 0 379.245 3.419 20 0 GGADRP COCC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]CC1 ZINC000414974545 565966607 /nfs/dbraw/zinc/96/66/07/565966607.db2.gz MJJBYROJDYQFLA-UHFFFAOYSA-N 2 0 393.272 3.156 20 0 GGADRP Fc1ccc(I)c(F)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972297 565966961 /nfs/dbraw/zinc/96/69/61/565966961.db2.gz XMLWCRIUPOYZTK-SNVBAGLBSA-N 2 0 380.220 3.191 20 0 GGADRP O=C(C1CC[NH2+]CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000237669822 565967805 /nfs/dbraw/zinc/96/78/05/565967805.db2.gz VLGMTRJOMORXSD-UHFFFAOYSA-N 2 0 384.351 3.417 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414993058 565967979 /nfs/dbraw/zinc/96/79/79/565967979.db2.gz KZPZGKANUOUZEV-RHSMWYFYSA-N 2 0 385.346 3.472 20 0 GGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414990667 565968274 /nfs/dbraw/zinc/96/82/74/565968274.db2.gz AJVBLNFCFXEKRK-VHSXEESVSA-N 2 0 380.220 3.177 20 0 GGADRP FC(F)(F)c1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000414990781 565968440 /nfs/dbraw/zinc/96/84/40/565968440.db2.gz RTVXAFNXAQUARB-ZDUSSCGKSA-N 2 0 389.771 3.285 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000415013299 565970771 /nfs/dbraw/zinc/97/07/71/565970771.db2.gz KJZLFJRHHDYOQL-OAHLLOKOSA-N 2 0 396.373 3.469 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000415013298 565970824 /nfs/dbraw/zinc/97/08/24/565970824.db2.gz KJZLFJRHHDYOQL-HNNXBMFYSA-N 2 0 396.373 3.469 20 0 GGADRP Brc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000415012280 565970899 /nfs/dbraw/zinc/97/08/99/565970899.db2.gz SDBJCBDLIZTNEU-GOEBONIOSA-N 2 0 381.314 3.088 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415112497 565974545 /nfs/dbraw/zinc/97/45/45/565974545.db2.gz SGOGUJIXOAJNQL-ROUUACIJSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121559 565975024 /nfs/dbraw/zinc/97/50/24/565975024.db2.gz IPGNCZOZOKWSOZ-WMZOPIPTSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000415127248 565975493 /nfs/dbraw/zinc/97/54/93/565975493.db2.gz QPWCWBXTESIVKG-CRAIPNDOSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000415124925 565975580 /nfs/dbraw/zinc/97/55/80/565975580.db2.gz KNENDHDFSSAVMF-FUHWJXTLSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031724 565975618 /nfs/dbraw/zinc/97/56/18/565975618.db2.gz DOXRHNXGPDAQMP-GJZGRUSLSA-N 2 0 396.373 3.277 20 0 GGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000415131595 565975898 /nfs/dbraw/zinc/97/58/98/565975898.db2.gz ZRUWVIHVJGEYOW-ZWKOTPCHSA-N 2 0 395.341 3.102 20 0 GGADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415134389 565976093 /nfs/dbraw/zinc/97/60/93/565976093.db2.gz DRSDCYYVHIYHOF-HOTGVXAUSA-N 2 0 380.374 3.391 20 0 GGADRP CSc1cc(Br)ccc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415132717 565976112 /nfs/dbraw/zinc/97/61/12/565976112.db2.gz UKEBTPMXQIKJER-HNNXBMFYSA-N 2 0 396.358 3.058 20 0 GGADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415134390 565976282 /nfs/dbraw/zinc/97/62/82/565976282.db2.gz DRSDCYYVHIYHOF-HZPDHXFCSA-N 2 0 380.374 3.391 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000415124924 565976293 /nfs/dbraw/zinc/97/62/93/565976293.db2.gz KNENDHDFSSAVMF-AEFFLSMTSA-N 2 0 383.330 3.176 20 0 GGADRP C[C@@H](NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252161 566023906 /nfs/dbraw/zinc/02/39/06/566023906.db2.gz WJXFNYRHFGNOLG-CVEARBPZSA-N 2 0 394.357 3.044 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180015535 566025229 /nfs/dbraw/zinc/02/52/29/566025229.db2.gz RZMCWEFAJAHDDE-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246944343 566046866 /nfs/dbraw/zinc/04/68/66/566046866.db2.gz HAKFAFODWFRRNW-IOASZLSFSA-N 2 0 380.330 3.381 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246944361 566047214 /nfs/dbraw/zinc/04/72/14/566047214.db2.gz HAKFAFODWFRRNW-WWGRRREGSA-N 2 0 380.330 3.381 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942448 566068189 /nfs/dbraw/zinc/06/81/89/566068189.db2.gz DCNGSSMRVOXHNZ-VXGBXAGGSA-N 2 0 381.274 3.008 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000247973599 566069181 /nfs/dbraw/zinc/06/91/81/566069181.db2.gz HOBJUXYATMPNPD-MAUKXSAKSA-N 2 0 397.357 3.489 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000247973603 566069981 /nfs/dbraw/zinc/06/99/81/566069981.db2.gz HOBJUXYATMPNPD-YJBOKZPZSA-N 2 0 397.357 3.489 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165926 566073814 /nfs/dbraw/zinc/07/38/14/566073814.db2.gz SXMLGPCKBIIEJE-XJKSGUPXSA-N 2 0 381.314 3.136 20 0 GGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365096894 566082871 /nfs/dbraw/zinc/08/28/71/566082871.db2.gz WZMGISIOKFSSLE-MAUKXSAKSA-N 2 0 380.374 3.138 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000180834600 566093416 /nfs/dbraw/zinc/09/34/16/566093416.db2.gz CNDYFOTXNOXUFF-UHFFFAOYSA-N 2 0 382.346 3.031 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829893 566093450 /nfs/dbraw/zinc/09/34/50/566093450.db2.gz QRMGUPHIGVOTFX-OFQRWUPVSA-N 2 0 382.346 3.404 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccccc1Cl ZINC000416857796 566110148 /nfs/dbraw/zinc/11/01/48/566110148.db2.gz YKQFUSLBFXGPDS-CABCVRRESA-N 2 0 376.879 3.005 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261637399 566126263 /nfs/dbraw/zinc/12/62/63/566126263.db2.gz CJGRXXUKTWHSIW-SFHVURJKSA-N 2 0 376.298 3.323 20 0 GGADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261633168 566126281 /nfs/dbraw/zinc/12/62/81/566126281.db2.gz BXFKXIZNUOTMCN-HKUYNNGSSA-N 2 0 394.357 3.100 20 0 GGADRP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000261721082 566130086 /nfs/dbraw/zinc/13/00/86/566130086.db2.gz KDRDZEHMIVZIAZ-QWQRMKEZSA-N 2 0 382.346 3.002 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261722097 566130205 /nfs/dbraw/zinc/13/02/05/566130205.db2.gz NPLDENUWGIRTHL-SFHVURJKSA-N 2 0 377.330 3.422 20 0 GGADRP C[NH+](C)CCc1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261737203 566132099 /nfs/dbraw/zinc/13/20/99/566132099.db2.gz LMMZJXRUZYMUPT-LJQANCHMSA-N 2 0 390.325 3.366 20 0 GGADRP C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000261766572 566133238 /nfs/dbraw/zinc/13/32/38/566133238.db2.gz DJSAHSSAKRICSJ-QGZVFWFLSA-N 2 0 397.357 3.438 20 0 GGADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261764003 566133473 /nfs/dbraw/zinc/13/34/73/566133473.db2.gz VZXDOGGXQPCSAS-RKVPGOIHSA-N 2 0 394.357 3.090 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261793439 566135357 /nfs/dbraw/zinc/13/53/57/566135357.db2.gz QKBKEGOLXXYFOT-PKOBYXMFSA-N 2 0 390.325 3.042 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000181361897 566136333 /nfs/dbraw/zinc/13/63/33/566136333.db2.gz HQQJDUHRGPUFTQ-HNNXBMFYSA-N 2 0 385.346 3.041 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000261817867 566136452 /nfs/dbraw/zinc/13/64/52/566136452.db2.gz SLLLFBXSVLSULD-RDJZCZTQSA-N 2 0 396.354 3.104 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845756 566137753 /nfs/dbraw/zinc/13/77/53/566137753.db2.gz LYGFQDRQVTXANR-QAPCUYQASA-N 2 0 381.973 3.012 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261845752 566137920 /nfs/dbraw/zinc/13/79/20/566137920.db2.gz LYGFQDRQVTXANR-CRAIPNDOSA-N 2 0 381.973 3.012 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]21 ZINC000261969025 566141585 /nfs/dbraw/zinc/14/15/85/566141585.db2.gz YUBTZPRPTVIWQZ-AEGPPILISA-N 2 0 377.286 3.058 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000261983723 566143263 /nfs/dbraw/zinc/14/32/63/566143263.db2.gz JEZRYQDQBZERLQ-OAHLLOKOSA-N 2 0 396.373 3.118 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366262005 566144419 /nfs/dbraw/zinc/14/44/19/566144419.db2.gz XCOGLMAVDNBIRR-KBRIMQKVSA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181491317 566144358 /nfs/dbraw/zinc/14/43/58/566144358.db2.gz DTEQXBKHPOOOOT-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262148328 566147000 /nfs/dbraw/zinc/14/70/00/566147000.db2.gz ZRTTWJABSAHCKN-LJQANCHMSA-N 2 0 389.341 3.437 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262140240 566147209 /nfs/dbraw/zinc/14/72/09/566147209.db2.gz DWNADXQCZYSNCY-UHFFFAOYSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Br)c1 ZINC000181696957 566159598 /nfs/dbraw/zinc/15/95/98/566159598.db2.gz GXCPCGMZCOBLRX-OAHLLOKOSA-N 2 0 398.389 3.382 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592326 566180864 /nfs/dbraw/zinc/18/08/64/566180864.db2.gz GOGZAKTXQUNQLF-KDOFPFPSSA-N 2 0 390.325 3.262 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592338 566181073 /nfs/dbraw/zinc/18/10/73/566181073.db2.gz GOGZAKTXQUNQLF-RDTXWAMCSA-N 2 0 390.325 3.262 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417982242 566186580 /nfs/dbraw/zinc/18/65/80/566186580.db2.gz NAXXTYJQDRVTFL-UHFFFAOYSA-N 2 0 376.257 3.252 20 0 GGADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(I)c1 ZINC000418026297 566191352 /nfs/dbraw/zinc/19/13/52/566191352.db2.gz FKEWPYAUMSCUBU-UHFFFAOYSA-N 2 0 388.268 3.394 20 0 GGADRP COC1(C(F)(F)F)CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000418097223 566197244 /nfs/dbraw/zinc/19/72/44/566197244.db2.gz JTYZBNZSULMNPH-UHFFFAOYSA-N 2 0 377.476 3.453 20 0 GGADRP Brc1cncc(Br)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000290961523 566198259 /nfs/dbraw/zinc/19/82/59/566198259.db2.gz WKNDCBCGVHFRLY-SNVBAGLBSA-N 2 0 389.135 3.181 20 0 GGADRP COc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000367617139 566209259 /nfs/dbraw/zinc/20/92/59/566209259.db2.gz JNXCVDZBONVWBG-KRWDZBQOSA-N 2 0 396.373 3.058 20 0 GGADRP CCC([NH3+])(CC)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418434659 566213556 /nfs/dbraw/zinc/21/35/56/566213556.db2.gz GBPAQWKMZBFRCP-UHFFFAOYSA-N 2 0 399.377 3.040 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500526 566214220 /nfs/dbraw/zinc/21/42/20/566214220.db2.gz PYPZVOKJWQOWCQ-QGZVFWFLSA-N 2 0 387.355 3.194 20 0 GGADRP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418472663 566214428 /nfs/dbraw/zinc/21/44/28/566214428.db2.gz NQERVDMLRHOLRY-AWEZNQCLSA-N 2 0 387.355 3.196 20 0 GGADRP C[C@@H](CC[NH3+])NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418542130 566216687 /nfs/dbraw/zinc/21/66/87/566216687.db2.gz HIORNPHRMZUVDP-ZDUSSCGKSA-N 2 0 375.344 3.194 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000182639195 566218350 /nfs/dbraw/zinc/21/83/50/566218350.db2.gz LOJGASKOFBKPHE-IBGZPJMESA-N 2 0 393.325 3.425 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015210 566226787 /nfs/dbraw/zinc/22/67/87/566226787.db2.gz CBOYUADIVHLRMS-ZTFGCOKTSA-N 2 0 383.330 3.141 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000182963114 566232420 /nfs/dbraw/zinc/23/24/20/566232420.db2.gz ITUCZVZTEJGNFP-LJQANCHMSA-N 2 0 380.374 3.396 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124179 566252885 /nfs/dbraw/zinc/25/28/85/566252885.db2.gz RJVBWHWMHNRGMY-HUUCEWRRSA-N 2 0 380.330 3.018 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124180 566253542 /nfs/dbraw/zinc/25/35/42/566253542.db2.gz RJVBWHWMHNRGMY-LSDHHAIUSA-N 2 0 380.330 3.018 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534794235 566254656 /nfs/dbraw/zinc/25/46/56/566254656.db2.gz YDYJPNBXPWYYBI-SJCJKPOMSA-N 2 0 386.765 3.315 20 0 GGADRP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000534869440 566261661 /nfs/dbraw/zinc/26/16/61/566261661.db2.gz ZWIVYFNVWBQAAH-GOSISDBHSA-N 2 0 380.374 3.358 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC000556104665 566270721 /nfs/dbraw/zinc/27/07/21/566270721.db2.gz GLQFJPZYLCHRAS-UHFFFAOYSA-N 2 0 378.319 3.478 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420304495 566272188 /nfs/dbraw/zinc/27/21/88/566272188.db2.gz OPPGTFRPORLFPD-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1OC ZINC000420343078 566273090 /nfs/dbraw/zinc/27/30/90/566273090.db2.gz YOYNPXBFBYAFQH-HNNXBMFYSA-N 2 0 383.330 3.430 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344969 566273205 /nfs/dbraw/zinc/27/32/05/566273205.db2.gz VHWVDFMILUXXME-SUMWQHHRSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420330125 566273771 /nfs/dbraw/zinc/27/37/71/566273771.db2.gz ABYOXPZBEFINNH-SUMWQHHRSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344967 566274156 /nfs/dbraw/zinc/27/41/56/566274156.db2.gz VHWVDFMILUXXME-DYVFJYSZSA-N 2 0 380.330 3.240 20 0 GGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000420372308 566274639 /nfs/dbraw/zinc/27/46/39/566274639.db2.gz FARLKMSOXKSOIN-ROUUACIJSA-N 2 0 383.330 3.046 20 0 GGADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NCCc1cccc(Cl)c1Cl ZINC000420339546 566274741 /nfs/dbraw/zinc/27/47/41/566274741.db2.gz QRPIQFRYFPEYGW-QGZVFWFLSA-N 2 0 384.351 3.116 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625101118 566275334 /nfs/dbraw/zinc/27/53/34/566275334.db2.gz FYFBAUVIZMRCQE-GOSISDBHSA-N 2 0 394.357 3.366 20 0 GGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000420382688 566276821 /nfs/dbraw/zinc/27/68/21/566276821.db2.gz DZDKYHUETMEMKD-YJBOKZPZSA-N 2 0 383.330 3.046 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000625141011 566280555 /nfs/dbraw/zinc/28/05/55/566280555.db2.gz KPSJGGNBDJIDFG-NVXWUHKLSA-N 2 0 389.297 3.236 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000648416141 566281401 /nfs/dbraw/zinc/28/14/01/566281401.db2.gz WHEAQGIFOUUQIT-UHFFFAOYSA-N 2 0 398.364 3.450 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000625141012 566281514 /nfs/dbraw/zinc/28/15/14/566281514.db2.gz KPSJGGNBDJIDFG-RDJZCZTQSA-N 2 0 389.297 3.236 20 0 GGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cccc(Br)c1 ZINC000575813896 566288321 /nfs/dbraw/zinc/28/83/21/566288321.db2.gz VHQDLNIIPVWYHS-QGZVFWFLSA-N 2 0 381.358 3.064 20 0 GGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000482561768 566317274 /nfs/dbraw/zinc/31/72/74/566317274.db2.gz DORSDYZETQQNBX-NVXWUHKLSA-N 2 0 382.346 3.077 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000482553693 566318042 /nfs/dbraw/zinc/31/80/42/566318042.db2.gz JYHSYLHUEPAFBH-ZDUSSCGKSA-N 2 0 392.345 3.331 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000669690389 566320990 /nfs/dbraw/zinc/32/09/90/566320990.db2.gz SALIWEXTVRZFEI-KBPBESRZSA-N 2 0 375.401 3.075 20 0 GGADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Br ZINC000669691623 566322960 /nfs/dbraw/zinc/32/29/60/566322960.db2.gz FZJKLXWYDOHFJB-SFHVURJKSA-N 2 0 380.374 3.358 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452065 566325093 /nfs/dbraw/zinc/32/50/93/566325093.db2.gz OOWUTYMTCGMRRU-IEBWSBKVSA-N 2 0 392.341 3.120 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000556952670 566349601 /nfs/dbraw/zinc/34/96/01/566349601.db2.gz ILYLZQBRGFGWTE-GXSJLCMTSA-N 2 0 392.135 3.437 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000556952675 566349657 /nfs/dbraw/zinc/34/96/57/566349657.db2.gz ILYLZQBRGFGWTE-ONGXEEELSA-N 2 0 392.135 3.437 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536180502 566356658 /nfs/dbraw/zinc/35/66/58/566356658.db2.gz XIQSEMLLZJXIBP-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cl)c1 ZINC000649308828 566360501 /nfs/dbraw/zinc/36/05/01/566360501.db2.gz AIWWITGAYVXVAP-KBXCAEBGSA-N 2 0 377.941 3.430 20 0 GGADRP Brc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000446883001 566369060 /nfs/dbraw/zinc/36/90/60/566369060.db2.gz DJLDAQKPJCCKRN-UHFFFAOYSA-N 2 0 381.314 3.184 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000576704459 566371040 /nfs/dbraw/zinc/37/10/40/566371040.db2.gz SJPOYFKEYCAOLC-QAPCUYQASA-N 2 0 386.323 3.150 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000576837385 566383307 /nfs/dbraw/zinc/38/33/07/566383307.db2.gz JJLDZFODKCGVNC-ZACQAIPSSA-N 2 0 394.357 3.421 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626101589 566384359 /nfs/dbraw/zinc/38/43/59/566384359.db2.gz XXMOIWCCJIMPNR-LJQANCHMSA-N 2 0 388.383 3.423 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862364 566404851 /nfs/dbraw/zinc/40/48/51/566404851.db2.gz LOQBXOBMEMJLMA-KBPBESRZSA-N 2 0 379.492 3.431 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510699998 566405713 /nfs/dbraw/zinc/40/57/13/566405713.db2.gz DEGAVHBDIXJVSR-GBESFXJTSA-N 2 0 379.342 3.404 20 0 GGADRP Cc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000577147062 566409514 /nfs/dbraw/zinc/40/95/14/566409514.db2.gz YOIGZSVMEFXNCJ-UHFFFAOYSA-N 2 0 380.374 3.217 20 0 GGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000577178302 566411936 /nfs/dbraw/zinc/41/19/36/566411936.db2.gz RMXYGSGBWLXAFU-CYBMUJFWSA-N 2 0 395.370 3.128 20 0 GGADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000421883497 566413222 /nfs/dbraw/zinc/41/32/22/566413222.db2.gz SVTOAVXXWHIDEU-VOMCLLRMSA-N 2 0 394.368 3.164 20 0 GGADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000421883493 566414090 /nfs/dbraw/zinc/41/40/90/566414090.db2.gz SVTOAVXXWHIDEU-UNXYVOJBSA-N 2 0 394.368 3.164 20 0 GGADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421891844 566415386 /nfs/dbraw/zinc/41/53/86/566415386.db2.gz YWNATHMQFROFOV-VMBOVVBDSA-N 2 0 387.977 3.162 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Cl)cc1I ZINC000447566703 566415676 /nfs/dbraw/zinc/41/56/76/566415676.db2.gz VTQIEHZMPYPOLR-QMTHXVAHSA-N 2 0 378.685 3.374 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000537117224 566423192 /nfs/dbraw/zinc/42/31/92/566423192.db2.gz WQSKFHLQLGKQBW-LBTNJELSSA-N 2 0 398.414 3.458 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1I ZINC000484305772 566424984 /nfs/dbraw/zinc/42/49/84/566424984.db2.gz IUEOSAVWGWXXJN-KGLIPLIRSA-N 2 0 390.309 3.299 20 0 GGADRP C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000484389753 566428323 /nfs/dbraw/zinc/42/83/23/566428323.db2.gz QHFXONSQBXXRBG-HNAYVOBHSA-N 2 0 380.374 3.343 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000511032662 566430053 /nfs/dbraw/zinc/43/00/53/566430053.db2.gz TVAJMLUYMYRNCJ-UHFFFAOYSA-N 2 0 388.293 3.132 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)s1 ZINC000671683346 566438358 /nfs/dbraw/zinc/43/83/58/566438358.db2.gz VLQLYRJYJMHALD-ZDUSSCGKSA-N 2 0 377.476 3.255 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577482016 566439699 /nfs/dbraw/zinc/43/96/99/566439699.db2.gz PVSSWIGGNXITIH-OAUYIBNBSA-N 2 0 380.330 3.144 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000650275810 566444537 /nfs/dbraw/zinc/44/45/37/566444537.db2.gz NRAYWKCTJYFNBW-UHFFFAOYSA-N 2 0 375.891 3.447 20 0 GGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422726722 566462705 /nfs/dbraw/zinc/46/27/05/566462705.db2.gz AFZPYLGNIBAXQY-WMLDXEAASA-N 2 0 382.346 3.079 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422748360 566462796 /nfs/dbraw/zinc/46/27/96/566462796.db2.gz UFBDNXMTGXUKOU-OKZBNKHCSA-N 2 0 379.342 3.227 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422790801 566463113 /nfs/dbraw/zinc/46/31/13/566463113.db2.gz YAJFWBVSPIEOSY-UONOGXRCSA-N 2 0 383.330 3.421 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859621 566463443 /nfs/dbraw/zinc/46/34/43/566463443.db2.gz KMUJAUXHHBOEOU-KZNAEPCWSA-N 2 0 394.357 3.079 20 0 GGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422799529 566463523 /nfs/dbraw/zinc/46/35/23/566463523.db2.gz XCUKQZUAZYOVLE-YESZJQIVSA-N 2 0 377.579 3.469 20 0 GGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422799528 566463541 /nfs/dbraw/zinc/46/35/41/566463541.db2.gz XCUKQZUAZYOVLE-IXDOHACOSA-N 2 0 377.579 3.469 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422760470 566463553 /nfs/dbraw/zinc/46/35/53/566463553.db2.gz LVXBOMIDWJJYIZ-GJZGRUSLSA-N 2 0 397.357 3.291 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422914024 566464416 /nfs/dbraw/zinc/46/44/16/566464416.db2.gz ZUSHXIRMADLKGE-SJORKVTESA-N 2 0 382.346 3.047 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883861 566464695 /nfs/dbraw/zinc/46/46/95/566464695.db2.gz VTGHYAJZOREPGA-CRAIPNDOSA-N 2 0 381.358 3.475 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883862 566464829 /nfs/dbraw/zinc/46/48/29/566464829.db2.gz VTGHYAJZOREPGA-MAUKXSAKSA-N 2 0 381.358 3.475 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422900419 566464859 /nfs/dbraw/zinc/46/48/59/566464859.db2.gz JCRYMPXOCQAGEI-SMDDNHRTSA-N 2 0 384.307 3.246 20 0 GGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000422882364 566464999 /nfs/dbraw/zinc/46/49/99/566464999.db2.gz SCBLCEOFPNRYBO-ROUUACIJSA-N 2 0 388.309 3.303 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422900414 566465438 /nfs/dbraw/zinc/46/54/38/566465438.db2.gz JCRYMPXOCQAGEI-FZMZJTMJSA-N 2 0 384.307 3.246 20 0 GGADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422885622 566465631 /nfs/dbraw/zinc/46/56/31/566465631.db2.gz YZVHJOPHDKYSMB-OAHLLOKOSA-N 2 0 375.340 3.385 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875662 566465794 /nfs/dbraw/zinc/46/57/94/566465794.db2.gz FNMOBZGBVMGGMV-RCCFBDPRSA-N 2 0 381.358 3.473 20 0 GGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958617 566466497 /nfs/dbraw/zinc/46/64/97/566466497.db2.gz YMIGQZUVFMPHGK-PBHICJAKSA-N 2 0 382.346 3.079 20 0 GGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958618 566466695 /nfs/dbraw/zinc/46/66/95/566466695.db2.gz YMIGQZUVFMPHGK-RHSMWYFYSA-N 2 0 382.346 3.079 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000422961575 566467128 /nfs/dbraw/zinc/46/71/28/566467128.db2.gz ZHLUVDFLXYCVSC-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945591 566467131 /nfs/dbraw/zinc/46/71/31/566467131.db2.gz VBSRSQYLHZXQIS-JOCBIADPSA-N 2 0 397.357 3.089 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422938967 566467280 /nfs/dbraw/zinc/46/72/80/566467280.db2.gz FHSASBQEOMDNCM-NUEKZKHPSA-N 2 0 383.330 3.477 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000422960786 566467682 /nfs/dbraw/zinc/46/76/82/566467682.db2.gz XSLPANUYILTIDA-CXAGYDPISA-N 2 0 395.341 3.347 20 0 GGADRP Cc1cc(Br)cn2cc(CN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])nc12 ZINC000423031852 566468377 /nfs/dbraw/zinc/46/83/77/566468377.db2.gz DUXLNUDFDYRZDM-KDOFPFPSSA-N 2 0 387.325 3.453 20 0 GGADRP Cc1cc(Br)cn2cc(CN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])nc12 ZINC000423031857 566469933 /nfs/dbraw/zinc/46/99/33/566469933.db2.gz DUXLNUDFDYRZDM-RDTXWAMCSA-N 2 0 387.325 3.453 20 0 GGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423055182 566470871 /nfs/dbraw/zinc/47/08/71/566470871.db2.gz VUZTWBKLBVDUAY-RYQLBKOJSA-N 2 0 378.314 3.177 20 0 GGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423055180 566471177 /nfs/dbraw/zinc/47/11/77/566471177.db2.gz VUZTWBKLBVDUAY-KBAYOESNSA-N 2 0 378.314 3.177 20 0 GGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707675 566472369 /nfs/dbraw/zinc/47/23/69/566472369.db2.gz KQHRWUQUNRXYGO-YSVLISHTSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705341 566472395 /nfs/dbraw/zinc/47/23/95/566472395.db2.gz DZLGBKFEJXRSDD-XCRHUMRWSA-N 2 0 383.330 3.176 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423070328 566472527 /nfs/dbraw/zinc/47/25/27/566472527.db2.gz COVVBDLQPLPYSL-RIFZZMRRSA-N 2 0 391.353 3.148 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423075370 566472575 /nfs/dbraw/zinc/47/25/75/566472575.db2.gz OKDCYULGRVOGBO-QKYXUNIQSA-N 2 0 391.353 3.148 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423075372 566472637 /nfs/dbraw/zinc/47/26/37/566472637.db2.gz OKDCYULGRVOGBO-ZAAXVRCTSA-N 2 0 391.353 3.148 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)c2ccccc21 ZINC000423079707 566472757 /nfs/dbraw/zinc/47/27/57/566472757.db2.gz YRBTWAHQKGTAFZ-ZMYBRWDISA-N 2 0 375.310 3.335 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070694 566473202 /nfs/dbraw/zinc/47/32/02/566473202.db2.gz DFCBTOLMWOQPOZ-QNDJGXFYSA-N 2 0 381.358 3.110 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423073647 566473881 /nfs/dbraw/zinc/47/38/81/566473881.db2.gz JMXBUJMVFYSMTN-CJNGLKHVSA-N 2 0 392.341 3.113 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c2ccccc21 ZINC000423079705 566473965 /nfs/dbraw/zinc/47/39/65/566473965.db2.gz YRBTWAHQKGTAFZ-KYNGSXCRSA-N 2 0 375.310 3.335 20 0 GGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423101947 566474915 /nfs/dbraw/zinc/47/49/15/566474915.db2.gz WPXOYXGYBAPZNW-AJSFGMTHSA-N 2 0 384.305 3.485 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1=O ZINC000423102992 566475141 /nfs/dbraw/zinc/47/51/41/566475141.db2.gz FUWGYVYIICZXBS-YCPHGPKFSA-N 2 0 382.346 3.277 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000423102989 566475200 /nfs/dbraw/zinc/47/52/00/566475200.db2.gz FUWGYVYIICZXBS-DZKIICNBSA-N 2 0 382.346 3.277 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763399 566476170 /nfs/dbraw/zinc/47/61/70/566476170.db2.gz ZCBGLXHCECKZHB-UHFFFAOYSA-N 2 0 380.374 3.393 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1=O ZINC000423113275 566476344 /nfs/dbraw/zinc/47/63/44/566476344.db2.gz TUMUGVPPNANNCA-ZBFHGGJFSA-N 2 0 382.346 3.278 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1OCCCO ZINC000423136965 566478125 /nfs/dbraw/zinc/47/81/25/566478125.db2.gz VNQIOBCORROVEN-JJRVBVJISA-N 2 0 385.346 3.378 20 0 GGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145079 566478537 /nfs/dbraw/zinc/47/85/37/566478537.db2.gz IZWZSXSAUBLVJL-CEXWTWQISA-N 2 0 384.973 3.404 20 0 GGADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)cc1OCCCO ZINC000423135540 566478804 /nfs/dbraw/zinc/47/88/04/566478804.db2.gz UEVQLLXQCYPERM-VQCLRJIVSA-N 2 0 385.346 3.378 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000423152691 566479002 /nfs/dbraw/zinc/47/90/02/566479002.db2.gz GHXMCKOMONKTER-KVPLUYHFSA-N 2 0 395.385 3.419 20 0 GGADRP Brc1ccccc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423184608 566479776 /nfs/dbraw/zinc/47/97/76/566479776.db2.gz MHLNFRLGTBUINB-HXUWFJFHSA-N 2 0 388.353 3.423 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000423164515 566480574 /nfs/dbraw/zinc/48/05/74/566480574.db2.gz SSGRAQLRWZMEOU-BKTGTZMESA-N 2 0 393.300 3.474 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000423164518 566480988 /nfs/dbraw/zinc/48/09/88/566480988.db2.gz SSGRAQLRWZMEOU-ZNOIYHFQSA-N 2 0 393.300 3.474 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165704 566481088 /nfs/dbraw/zinc/48/10/88/566481088.db2.gz URIDPXQEZCOEHO-KRDRHDLTSA-N 2 0 399.348 3.250 20 0 GGADRP Fc1cc(Br)ccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423211124 566482123 /nfs/dbraw/zinc/48/21/23/566482123.db2.gz YARNSQFLCLSYPF-LJQANCHMSA-N 2 0 392.316 3.172 20 0 GGADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423191514 566482384 /nfs/dbraw/zinc/48/23/84/566482384.db2.gz UKBRLGKEJYOGCV-GFCCVEGCSA-N 2 0 394.279 3.414 20 0 GGADRP Fc1cccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000423201183 566482615 /nfs/dbraw/zinc/48/26/15/566482615.db2.gz HVVQDXVACMZYAE-LJQANCHMSA-N 2 0 392.316 3.172 20 0 GGADRP Clc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423211128 566482768 /nfs/dbraw/zinc/48/27/68/566482768.db2.gz YBOPHOGIJRJHAB-INIZCTEOSA-N 2 0 376.957 3.336 20 0 GGADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423203163 566482945 /nfs/dbraw/zinc/48/29/45/566482945.db2.gz MHHRBOQKVHYNBD-LLVKDONJSA-N 2 0 380.252 3.024 20 0 GGADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423191983 566482960 /nfs/dbraw/zinc/48/29/60/566482960.db2.gz UWYVGVCOSMUHKZ-GOSISDBHSA-N 2 0 384.362 3.040 20 0 GGADRP Fc1cc(Br)ccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423211123 566482973 /nfs/dbraw/zinc/48/29/73/566482973.db2.gz YARNSQFLCLSYPF-IBGZPJMESA-N 2 0 392.316 3.172 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000423381576 566485577 /nfs/dbraw/zinc/48/55/77/566485577.db2.gz ICESPCRMGXVRDM-IINYFYTJSA-N 2 0 398.242 3.075 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000423395039 566486159 /nfs/dbraw/zinc/48/61/59/566486159.db2.gz ROZYYRXWLWVAPT-IPYPFGDCSA-N 2 0 386.277 3.364 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423382372 566486375 /nfs/dbraw/zinc/48/63/75/566486375.db2.gz IMQCBIVBMAYIQN-RYSNWHEDSA-N 2 0 375.401 3.169 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423382370 566486588 /nfs/dbraw/zinc/48/65/88/566486588.db2.gz IMQCBIVBMAYIQN-GFJIZPEISA-N 2 0 375.401 3.169 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000423394278 566486651 /nfs/dbraw/zinc/48/66/51/566486651.db2.gz RXWMFSHXFSPXGX-QMTHXVAHSA-N 2 0 398.242 3.075 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000423395045 566486715 /nfs/dbraw/zinc/48/67/15/566486715.db2.gz ROZYYRXWLWVAPT-NFAWXSAZSA-N 2 0 386.277 3.364 20 0 GGADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423324169 566486740 /nfs/dbraw/zinc/48/67/40/566486740.db2.gz IOXSTFGZVMBISQ-LLVKDONJSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423387535 566486962 /nfs/dbraw/zinc/48/69/62/566486962.db2.gz MBXAFDUBYHONIP-CZXHOFHRSA-N 2 0 381.895 3.319 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423418519 566488532 /nfs/dbraw/zinc/48/85/32/566488532.db2.gz HNMKOKQTWZGZHJ-SRVKXCTJSA-N 2 0 394.368 3.057 20 0 GGADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403669 566488871 /nfs/dbraw/zinc/48/88/71/566488871.db2.gz ZHHVEXFYCNTUMB-ZIAGYGMSSA-N 2 0 379.879 3.303 20 0 GGADRP COCC1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423406729 566489105 /nfs/dbraw/zinc/48/91/05/566489105.db2.gz LDAWUVFYCZBJFA-MRXNPFEDSA-N 2 0 383.330 3.269 20 0 GGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000423492499 566491031 /nfs/dbraw/zinc/49/10/31/566491031.db2.gz NHBSRZMHCPSMQI-ZLDLUXBVSA-N 2 0 386.277 3.222 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000578231458 566503672 /nfs/dbraw/zinc/50/36/72/566503672.db2.gz YWQJBDINWLVCEV-OGTVAZLGSA-N 2 0 387.325 3.434 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651263860 566505759 /nfs/dbraw/zinc/50/57/59/566505759.db2.gz PEZQZDWNTCBLTD-UHFFFAOYSA-N 2 0 380.945 3.029 20 0 GGADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)sc1Br ZINC000512050877 566508644 /nfs/dbraw/zinc/50/86/44/566508644.db2.gz FGTAELLBTWPOTD-OLZOCXBDSA-N 2 0 388.375 3.057 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000538413085 566511700 /nfs/dbraw/zinc/51/17/00/566511700.db2.gz UDLLWVBKTKLFMZ-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000578324109 566512443 /nfs/dbraw/zinc/51/24/43/566512443.db2.gz RKZJRYXCHUKPAR-GJZGRUSLSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512142943 566517120 /nfs/dbraw/zinc/51/71/20/566517120.db2.gz BXDZYDIMLGTRIS-GFCCVEGCSA-N 2 0 393.338 3.349 20 0 GGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975877 566517864 /nfs/dbraw/zinc/51/78/64/566517864.db2.gz FMZXVUZYMVNULN-MSOLQXFVSA-N 2 0 394.357 3.146 20 0 GGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975878 566518321 /nfs/dbraw/zinc/51/83/21/566518321.db2.gz FMZXVUZYMVNULN-QZTJIDSGSA-N 2 0 394.357 3.146 20 0 GGADRP C[NH+](C)CC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000538622727 566523311 /nfs/dbraw/zinc/52/33/11/566523311.db2.gz QTNQOEYVDKWEHG-UHFFFAOYSA-N 2 0 383.330 3.384 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424294431 566526423 /nfs/dbraw/zinc/52/64/23/566526423.db2.gz QIOFJMMLHFUWFH-CQSZACIVSA-N 2 0 384.351 3.116 20 0 GGADRP Cc1cc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424292922 566527243 /nfs/dbraw/zinc/52/72/43/566527243.db2.gz OVJFQJWVOHHPMP-AWEZNQCLSA-N 2 0 380.330 3.160 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449078637 566527367 /nfs/dbraw/zinc/52/73/67/566527367.db2.gz MGELKBRYZNETAE-HPUBIQBYSA-N 2 0 398.364 3.450 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449078639 566527464 /nfs/dbraw/zinc/52/74/64/566527464.db2.gz MGELKBRYZNETAE-UQPPLGOBSA-N 2 0 398.364 3.450 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)CC[NH2+]CC2 ZINC000424301557 566527545 /nfs/dbraw/zinc/52/75/45/566527545.db2.gz XQCSAKADAOAZBN-CQSZACIVSA-N 2 0 384.351 3.416 20 0 GGADRP CS(=O)(=O)c1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000449107550 566529960 /nfs/dbraw/zinc/52/99/60/566529960.db2.gz QKXLXYVYNYJOEA-UHFFFAOYSA-N 2 0 378.563 3.153 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424368970 566530490 /nfs/dbraw/zinc/53/04/90/566530490.db2.gz AZBJIAANYPTJBF-ZDUSSCGKSA-N 2 0 381.314 3.184 20 0 GGADRP Cc1cc(Br)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000449132706 566531498 /nfs/dbraw/zinc/53/14/98/566531498.db2.gz VVNNJSJNKJWRJE-ZDUSSCGKSA-N 2 0 388.781 3.384 20 0 GGADRP Cc1cc(Br)c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000449132705 566531942 /nfs/dbraw/zinc/53/19/42/566531942.db2.gz VVNNJSJNKJWRJE-CYBMUJFWSA-N 2 0 388.781 3.384 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449151908 566532951 /nfs/dbraw/zinc/53/29/51/566532951.db2.gz YXPFKOXUTHXHIB-INIZCTEOSA-N 2 0 392.341 3.324 20 0 GGADRP C[C@@H](C[NH+](C)C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000512441167 566535418 /nfs/dbraw/zinc/53/54/18/566535418.db2.gz LTPPGSUBMKONFW-AWEZNQCLSA-N 2 0 389.371 3.407 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259849 566536205 /nfs/dbraw/zinc/53/62/05/566536205.db2.gz IHPOAGSCNFKHTG-FUHWJXTLSA-N 2 0 394.401 3.170 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259851 566536288 /nfs/dbraw/zinc/53/62/88/566536288.db2.gz IHPOAGSCNFKHTG-WMZOPIPTSA-N 2 0 394.401 3.170 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259850 566536455 /nfs/dbraw/zinc/53/64/55/566536455.db2.gz IHPOAGSCNFKHTG-SJLPKXTDSA-N 2 0 394.401 3.170 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449217713 566537489 /nfs/dbraw/zinc/53/74/89/566537489.db2.gz BECNRINOTQWQTP-UHFFFAOYSA-N 2 0 384.337 3.061 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449220460 566537685 /nfs/dbraw/zinc/53/76/85/566537685.db2.gz QNHHUDDZOMVWRG-UHFFFAOYSA-N 2 0 398.364 3.451 20 0 GGADRP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000559273678 566538239 /nfs/dbraw/zinc/53/82/39/566538239.db2.gz XXGWIKGMVQRGEN-QAPCUYQASA-N 2 0 393.369 3.397 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449225858 566539264 /nfs/dbraw/zinc/53/92/64/566539264.db2.gz VFJZCLKZNDDXDZ-UHFFFAOYSA-N 2 0 391.357 3.113 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695666 566541084 /nfs/dbraw/zinc/54/10/84/566541084.db2.gz ZNBKQXZBLNUUSB-HNNXBMFYSA-N 2 0 386.993 3.002 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000673599680 566545101 /nfs/dbraw/zinc/54/51/01/566545101.db2.gz CKMBYRRPBSOSIK-CQSZACIVSA-N 2 0 386.353 3.135 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1(C)C ZINC000449301661 566546342 /nfs/dbraw/zinc/54/63/42/566546342.db2.gz HUJDOTDYWLTTLU-UHFFFAOYSA-N 2 0 391.357 3.113 20 0 GGADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000449323485 566548648 /nfs/dbraw/zinc/54/86/48/566548648.db2.gz VPDUNJKEEAKSRQ-INIZCTEOSA-N 2 0 391.357 3.331 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000539058042 566556091 /nfs/dbraw/zinc/55/60/91/566556091.db2.gz HXWQLWVYYDXBIT-RHSMWYFYSA-N 2 0 390.355 3.494 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449603368 566582494 /nfs/dbraw/zinc/58/24/94/566582494.db2.gz VYSVVDMPOQOGAP-QGZVFWFLSA-N 2 0 383.374 3.373 20 0 GGADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507297 566585475 /nfs/dbraw/zinc/58/54/75/566585475.db2.gz LDIVRUGUKGDDSM-INIZCTEOSA-N 2 0 398.288 3.356 20 0 GGADRP COc1cc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1Br ZINC000579229950 566591360 /nfs/dbraw/zinc/59/13/60/566591360.db2.gz LPTASSRWBNXUNG-LBPRGKRZSA-N 2 0 376.298 3.324 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000449686739 566592656 /nfs/dbraw/zinc/59/26/56/566592656.db2.gz XZXVMODQRFUWTL-GMBSWORKSA-N 2 0 383.374 3.228 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000652346159 566603465 /nfs/dbraw/zinc/60/34/65/566603465.db2.gz UYOJLRQIGSEZRG-SUYBPPKGSA-N 2 0 386.323 3.150 20 0 GGADRP COc1cc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1Br ZINC000425268885 566625860 /nfs/dbraw/zinc/62/58/60/566625860.db2.gz QAECSRNOAAFGHY-YHWZYXNKSA-N 2 0 376.298 3.465 20 0 GGADRP Brc1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000560580582 566638812 /nfs/dbraw/zinc/63/88/12/566638812.db2.gz KVUIMZZSTNZZAT-BHIYHBOVSA-N 2 0 389.341 3.146 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540416454 566650217 /nfs/dbraw/zinc/65/02/17/566650217.db2.gz NLZOOPRKHBPEGK-LRDDRELGSA-N 2 0 385.371 3.278 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C)N1CC[NH+](C)CC1 ZINC000540416823 566650875 /nfs/dbraw/zinc/65/08/75/566650875.db2.gz GEULJEIORJNDJB-GLJUWKHASA-N 2 0 398.414 3.458 20 0 GGADRP Cc1ncc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)n1C ZINC000514615749 566657342 /nfs/dbraw/zinc/65/73/42/566657342.db2.gz DSHHJTCHBORYEK-CQSZACIVSA-N 2 0 392.219 3.333 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2cc(Br)ccc21 ZINC000450362215 566661896 /nfs/dbraw/zinc/66/18/96/566661896.db2.gz FKXQHUXPDOTRPC-UHFFFAOYSA-N 2 0 394.361 3.102 20 0 GGADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514563 566662174 /nfs/dbraw/zinc/66/21/74/566662174.db2.gz RPEYJXPDIVBJPB-QGZVFWFLSA-N 2 0 380.330 3.024 20 0 GGADRP CC[NH2+]CC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514562 566662674 /nfs/dbraw/zinc/66/26/74/566662674.db2.gz RPEYJXPDIVBJPB-KRWDZBQOSA-N 2 0 380.330 3.024 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000629532326 566664646 /nfs/dbraw/zinc/66/46/46/566664646.db2.gz VNTGJTCAZRURAL-MAUKXSAKSA-N 2 0 392.341 3.024 20 0 GGADRP O[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629561343 566665477 /nfs/dbraw/zinc/66/54/77/566665477.db2.gz HTXCXMCFNMLSNS-QGZVFWFLSA-N 2 0 386.367 3.004 20 0 GGADRP O[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629561335 566666189 /nfs/dbraw/zinc/66/61/89/566666189.db2.gz HTXCXMCFNMLSNS-KRWDZBQOSA-N 2 0 386.367 3.004 20 0 GGADRP O[C@@H](C[NH2+]CCCCSc1ccccc1Br)C[NH+]1CCCC1 ZINC000629564961 566666417 /nfs/dbraw/zinc/66/64/17/566666417.db2.gz MTXNGPJKXVEHDO-HNNXBMFYSA-N 2 0 387.387 3.368 20 0 GGADRP O[C@@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629574371 566667719 /nfs/dbraw/zinc/66/77/19/566667719.db2.gz NHIXZHHGCWUTNA-IBGZPJMESA-N 2 0 386.367 3.004 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2)CC1 ZINC000675872250 566668578 /nfs/dbraw/zinc/66/85/78/566668578.db2.gz IRBJSSBWRYHBCW-KUHUBIRLSA-N 2 0 396.348 3.334 20 0 GGADRP O[C@H]1CCCC[C@@H]1C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000580198021 566673313 /nfs/dbraw/zinc/67/33/13/566673313.db2.gz OBMMKGMXPJOJHH-ZBFHGGJFSA-N 2 0 382.302 3.292 20 0 GGADRP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629665723 566677260 /nfs/dbraw/zinc/67/72/60/566677260.db2.gz OKQLNPCOTXETQV-UHFFFAOYSA-N 2 0 395.345 3.165 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@@H](C)O1 ZINC000581053817 566746574 /nfs/dbraw/zinc/74/65/74/566746574.db2.gz NLUSKVMNASCYCN-HUUCEWRRSA-N 2 0 395.345 3.076 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654490 566758660 /nfs/dbraw/zinc/75/86/60/566758660.db2.gz PTUHNGNJZVXTKR-FZKQIMNGSA-N 2 0 396.348 3.334 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000677652629 566758735 /nfs/dbraw/zinc/75/87/35/566758735.db2.gz PHLKPPGQIORDIU-INIZCTEOSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000516567241 566769435 /nfs/dbraw/zinc/76/94/35/566769435.db2.gz VDLHVDLCAYRXDM-CLCXKQKWSA-N 2 0 396.373 3.107 20 0 GGADRP CN1CCN(c2cc[nH+]cc2NC(=O)CSc2ccccc2Cl)CC1 ZINC000516624406 566774015 /nfs/dbraw/zinc/77/40/15/566774015.db2.gz XUTALADFJHGJRZ-UHFFFAOYSA-N 2 0 376.913 3.218 20 0 GGADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000581416829 566775775 /nfs/dbraw/zinc/77/57/75/566775775.db2.gz LXTYDKLJNLUGIB-SECBINFHSA-N 2 0 380.124 3.165 20 0 GGADRP Brc1cnccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000631173050 566786691 /nfs/dbraw/zinc/78/66/91/566786691.db2.gz ZFXWVUKTNJNCAR-UHFFFAOYSA-N 2 0 375.314 3.241 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000581695138 566799869 /nfs/dbraw/zinc/79/98/69/566799869.db2.gz VBVSTIVCOUTQOW-UHFFFAOYSA-N 2 0 382.346 3.488 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000678598202 566806990 /nfs/dbraw/zinc/80/69/90/566806990.db2.gz DKALEBYMXJJMQQ-CEXWTWQISA-N 2 0 379.342 3.404 20 0 GGADRP CSC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542843862 566830631 /nfs/dbraw/zinc/83/06/31/566830631.db2.gz JLBPQIWNBIMZAE-KRWDZBQOSA-N 2 0 375.504 3.337 20 0 GGADRP CSC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542843863 566830738 /nfs/dbraw/zinc/83/07/38/566830738.db2.gz JLBPQIWNBIMZAE-QGZVFWFLSA-N 2 0 375.504 3.337 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCCO2 ZINC000469994993 566834516 /nfs/dbraw/zinc/83/45/16/566834516.db2.gz ZASGKGZFNVXDNP-MRXNPFEDSA-N 2 0 381.314 3.184 20 0 GGADRP COCC[N@H+](C)CCCNCc1cn(-c2ccccc2Br)nc1C ZINC000655712442 566837801 /nfs/dbraw/zinc/83/78/01/566837801.db2.gz NPIJHWVHIFJYKW-UHFFFAOYSA-N 2 0 395.345 3.001 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655717146 566838065 /nfs/dbraw/zinc/83/80/65/566838065.db2.gz VPBMAMVAKGDXKT-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000679202193 566840829 /nfs/dbraw/zinc/84/08/29/566840829.db2.gz AGAGFKZCIMYOFZ-UHFFFAOYSA-N 2 0 391.357 3.115 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000562986959 566841531 /nfs/dbraw/zinc/84/15/31/566841531.db2.gz DYFBMXVKLLTGJY-SJLPKXTDSA-N 2 0 399.373 3.433 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000562986958 566841969 /nfs/dbraw/zinc/84/19/69/566841969.db2.gz DYFBMXVKLLTGJY-FUHWJXTLSA-N 2 0 399.373 3.433 20 0 GGADRP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000655756797 566844715 /nfs/dbraw/zinc/84/47/15/566844715.db2.gz YMPDJLWDRRKVGL-UHFFFAOYSA-N 2 0 375.314 3.295 20 0 GGADRP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000655755667 566845844 /nfs/dbraw/zinc/84/58/44/566845844.db2.gz HUDJWEPNNIDNOB-UHFFFAOYSA-N 2 0 375.314 3.295 20 0 GGADRP Clc1cccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nn2)c1Cl ZINC000563136289 566857686 /nfs/dbraw/zinc/85/76/86/566857686.db2.gz XEBGOCLXIYUVTO-ZIAGYGMSSA-N 2 0 380.323 3.396 20 0 GGADRP Clc1cccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nn2)c1Cl ZINC000563136288 566858186 /nfs/dbraw/zinc/85/81/86/566858186.db2.gz XEBGOCLXIYUVTO-UONOGXRCSA-N 2 0 380.323 3.396 20 0 GGADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000563154562 566859869 /nfs/dbraw/zinc/85/98/69/566859869.db2.gz PSGZTOHEUFCGME-ZDUSSCGKSA-N 2 0 386.323 3.009 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000451900460 566904006 /nfs/dbraw/zinc/90/40/06/566904006.db2.gz ALXIRYTUYNLBFD-IBGZPJMESA-N 2 0 388.383 3.207 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000680479009 566911283 /nfs/dbraw/zinc/91/12/83/566911283.db2.gz RBWGMAUVHYGINY-CVEARBPZSA-N 2 0 380.330 3.303 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000470961755 566918434 /nfs/dbraw/zinc/91/84/34/566918434.db2.gz YNKBHAJIDQRUOE-INIZCTEOSA-N 2 0 394.357 3.441 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429083 566930670 /nfs/dbraw/zinc/93/06/70/566930670.db2.gz SDAWGMSNZCLEAK-MRXNPFEDSA-N 2 0 383.374 3.453 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429451373 566931625 /nfs/dbraw/zinc/93/16/25/566931625.db2.gz MMZXTTPZOJNTDJ-OAHLLOKOSA-N 2 0 383.374 3.453 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437524 566931906 /nfs/dbraw/zinc/93/19/06/566931906.db2.gz NZMDEMYWGBYYKA-MRXNPFEDSA-N 2 0 383.374 3.453 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437522 566932268 /nfs/dbraw/zinc/93/22/68/566932268.db2.gz NZMDEMYWGBYYKA-INIZCTEOSA-N 2 0 383.374 3.453 20 0 GGADRP C[N@@H+](CC/C=C\c1ccc(Br)cc1)CCCN1CC[NH+](C)CC1 ZINC000492987569 566940997 /nfs/dbraw/zinc/94/09/97/566940997.db2.gz AAYKKRPTGAGKIL-UTCJRWHESA-N 2 0 380.374 3.422 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564078552 566943593 /nfs/dbraw/zinc/94/35/93/566943593.db2.gz SSKXILIFPSBFAQ-GOEBONIOSA-N 2 0 375.340 3.301 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000656788756 566950467 /nfs/dbraw/zinc/95/04/67/566950467.db2.gz CAMJEUCWMQIEFE-UHFFFAOYSA-N 2 0 394.357 3.223 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2 ZINC000493905939 566960706 /nfs/dbraw/zinc/96/07/06/566960706.db2.gz JPADVFUONOKNHU-GOSISDBHSA-N 2 0 380.374 3.360 20 0 GGADRP Cc1c(Br)cc(C[NH2+]CCOCC[NH+](C)C)cc1Br ZINC000564311562 566963730 /nfs/dbraw/zinc/96/37/30/566963730.db2.gz DCEVBUYEDNLTGZ-UHFFFAOYSA-N 2 0 394.151 3.188 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000471604675 566964018 /nfs/dbraw/zinc/96/40/18/566964018.db2.gz JXRYYPDHDSNZMB-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000493959636 566964522 /nfs/dbraw/zinc/96/45/22/566964522.db2.gz FJCMNGCDWAPABT-GOSISDBHSA-N 2 0 380.374 3.360 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000471604672 566964660 /nfs/dbraw/zinc/96/46/60/566964660.db2.gz JXRYYPDHDSNZMB-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000471623064 566966182 /nfs/dbraw/zinc/96/61/82/566966182.db2.gz ZXWQLXGYOUQLIB-GJZGRUSLSA-N 2 0 386.353 3.135 20 0 GGADRP Fc1cc(Br)cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000681384312 566971846 /nfs/dbraw/zinc/97/18/46/566971846.db2.gz MPBGELJOCRRDCS-UHFFFAOYSA-N 2 0 394.292 3.002 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1Br ZINC000583681260 566972453 /nfs/dbraw/zinc/97/24/53/566972453.db2.gz PTPDGBWISMUSNH-VIFPVBQESA-N 2 0 380.124 3.437 20 0 GGADRP CSc1cc(Br)ccc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000583693288 566974198 /nfs/dbraw/zinc/97/41/98/566974198.db2.gz JHQMPJJRWMWDHH-AWEZNQCLSA-N 2 0 385.371 3.358 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000564489244 566980270 /nfs/dbraw/zinc/98/02/70/566980270.db2.gz WGOHXZVOLNDFKL-HUUCEWRRSA-N 2 0 386.353 3.135 20 0 GGADRP Brc1ccc([C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@H]2CCCO2)cc1 ZINC000681743990 567003079 /nfs/dbraw/zinc/00/30/79/567003079.db2.gz ZBKBVMZWBKCZNE-NUJGCVRESA-N 2 0 376.298 3.470 20 0 GGADRP C[NH+](C)Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000564915403 567019836 /nfs/dbraw/zinc/01/98/36/567019836.db2.gz MMQRYLZVCCSVCG-SFHVURJKSA-N 2 0 376.298 3.323 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000494763270 567020578 /nfs/dbraw/zinc/02/05/78/567020578.db2.gz QIGOCLQDALHRNL-CRAIPNDOSA-N 2 0 380.374 3.360 20 0 GGADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000545161392 567024306 /nfs/dbraw/zinc/02/43/06/567024306.db2.gz UHGOQFZFVQEEIC-IFXJQAMLSA-N 2 0 393.325 3.026 20 0 GGADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000545161393 567024445 /nfs/dbraw/zinc/02/44/45/567024445.db2.gz UHGOQFZFVQEEIC-KUHUBIRLSA-N 2 0 393.325 3.026 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000521030870 567036148 /nfs/dbraw/zinc/03/61/48/567036148.db2.gz FYLFVBWGARKPIG-INIZCTEOSA-N 2 0 375.340 3.445 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000521226007 567050698 /nfs/dbraw/zinc/05/06/98/567050698.db2.gz YPXQSTDCHZWFMW-CYBMUJFWSA-N 2 0 390.329 3.299 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000521226008 567050932 /nfs/dbraw/zinc/05/09/32/567050932.db2.gz YPXQSTDCHZWFMW-ZDUSSCGKSA-N 2 0 390.329 3.299 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453073509 567050988 /nfs/dbraw/zinc/05/09/88/567050988.db2.gz GRMNJVCQSZACJN-HXUWFJFHSA-N 2 0 394.401 3.386 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453081845 567051262 /nfs/dbraw/zinc/05/12/62/567051262.db2.gz MHDNFOZDQIYLGK-FQEVSTJZSA-N 2 0 394.401 3.387 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4cc(Br)ccc4o3)C2)CC1 ZINC000657359786 567052308 /nfs/dbraw/zinc/05/23/08/567052308.db2.gz OZBPQVDDFJWACJ-MRXNPFEDSA-N 2 0 392.341 3.453 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453111376 567054597 /nfs/dbraw/zinc/05/45/97/567054597.db2.gz RNTFUFXESJPQRL-NSHDSACASA-N 2 0 376.257 3.423 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453106250 567055065 /nfs/dbraw/zinc/05/50/65/567055065.db2.gz YKIIIFQMEGEDGL-FQEVSTJZSA-N 2 0 394.401 3.387 20 0 GGADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Br)c1O ZINC000584687564 567061580 /nfs/dbraw/zinc/06/15/80/567061580.db2.gz CZKYRQVXHRNWEH-CQSZACIVSA-N 2 0 383.330 3.327 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1(C)C ZINC000453226432 567065782 /nfs/dbraw/zinc/06/57/82/567065782.db2.gz VHARDIUNPNGPIG-IBGZPJMESA-N 2 0 394.401 3.386 20 0 GGADRP Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)c1 ZINC000521583208 567067733 /nfs/dbraw/zinc/06/77/33/567067733.db2.gz MUBQFTNPSFKOBS-JKSUJKDBSA-N 2 0 375.314 3.317 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453336296 567076670 /nfs/dbraw/zinc/07/66/70/567076670.db2.gz ALTICLYBEBGOCY-ACXGAUJLSA-N 2 0 387.337 3.058 20 0 GGADRP Brc1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613912 567076867 /nfs/dbraw/zinc/07/68/67/567076867.db2.gz WQXWYLQPBJBCEW-UHFFFAOYSA-N 2 0 381.343 3.302 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000453345320 567078444 /nfs/dbraw/zinc/07/84/44/567078444.db2.gz FFJWOQRCWBNISJ-GTACMHHNSA-N 2 0 383.374 3.227 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000453370231 567082065 /nfs/dbraw/zinc/08/20/65/567082065.db2.gz NEIWSEXNFMERCB-UHQDVWGKSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404738 567087206 /nfs/dbraw/zinc/08/72/06/567087206.db2.gz PPWYOOCVYDVBLK-NSHDSACASA-N 2 0 394.368 3.166 20 0 GGADRP Brc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000657813120 567097811 /nfs/dbraw/zinc/09/78/11/567097811.db2.gz ZPLCAYXGFGFNJN-UHFFFAOYSA-N 2 0 395.341 3.432 20 0 GGADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Br)c1O ZINC000657812485 567097916 /nfs/dbraw/zinc/09/79/16/567097916.db2.gz DNOWHZIDVVXILY-UHFFFAOYSA-N 2 0 383.330 3.375 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837026 567099888 /nfs/dbraw/zinc/09/98/88/567099888.db2.gz XGGLKXGJDPYMPN-LJQANCHMSA-N 2 0 382.390 3.387 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657836860 567099999 /nfs/dbraw/zinc/09/99/99/567099999.db2.gz PJLQYUVWDKSYEM-APWZRJJASA-N 2 0 382.390 3.386 20 0 GGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657882606 567102274 /nfs/dbraw/zinc/10/22/74/567102274.db2.gz SODFESPAKDHEPS-VQIMIIECSA-N 2 0 382.390 3.242 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565834279 567104811 /nfs/dbraw/zinc/10/48/11/567104811.db2.gz DTYKUCAZSXKNHS-JKSUJKDBSA-N 2 0 384.351 3.273 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976825 567110214 /nfs/dbraw/zinc/11/02/14/567110214.db2.gz SVDULWOIWSTPJX-LPHOPBHVSA-N 2 0 382.390 3.386 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000473998171 567124936 /nfs/dbraw/zinc/12/49/36/567124936.db2.gz BLKGCSCAYVQDIV-UHFFFAOYSA-N 2 0 396.373 3.107 20 0 GGADRP O=C(CC[NH2+]Cc1csc(Cl)c1Cl)N1CCN(c2ccccn2)CC1 ZINC000432238424 567139490 /nfs/dbraw/zinc/13/94/90/567139490.db2.gz QNTKDFANFBOQFD-UHFFFAOYSA-N 2 0 399.347 3.278 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245415 567141985 /nfs/dbraw/zinc/14/19/85/567141985.db2.gz QSOWUFCSBDIARL-IMJJTQAJSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH+](C)CC1 ZINC000683694628 567144522 /nfs/dbraw/zinc/14/45/22/567144522.db2.gz ZJMHPMNKZDBPNX-CQSZACIVSA-N 2 0 377.330 3.455 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)nc12 ZINC000546931405 567172073 /nfs/dbraw/zinc/17/20/73/567172073.db2.gz XGNUTGBZWJGOFN-UHFFFAOYSA-N 2 0 391.357 3.412 20 0 GGADRP CSC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC[NH+](C)CC1 ZINC000589325398 567175668 /nfs/dbraw/zinc/17/56/68/567175668.db2.gz IXBUGSAEAOZOLY-UHFFFAOYSA-N 2 0 387.343 3.095 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738879 567184657 /nfs/dbraw/zinc/18/46/57/567184657.db2.gz ZERAIMANZFWIMQ-AYDFFVQHSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524627728 567205808 /nfs/dbraw/zinc/20/58/08/567205808.db2.gz DPTHSNDYCXULNB-AWEZNQCLSA-N 2 0 389.371 3.059 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159502 567223812 /nfs/dbraw/zinc/22/38/12/567223812.db2.gz OYCJUUDAWXBUES-FGTMMUONSA-N 2 0 394.357 3.079 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000433127454 567225749 /nfs/dbraw/zinc/22/57/49/567225749.db2.gz HTVHBTUKSXUYJI-GOSISDBHSA-N 2 0 394.357 3.316 20 0 GGADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000433142686 567227812 /nfs/dbraw/zinc/22/78/12/567227812.db2.gz VCNLUFFAPIVBHZ-UHFFFAOYSA-N 2 0 396.373 3.046 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000547616487 567233519 /nfs/dbraw/zinc/23/35/19/567233519.db2.gz BPGVTMSNVSMNRY-UHFFFAOYSA-N 2 0 385.350 3.186 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Cl)cc(Cl)c3N)ccn2)CC1 ZINC000638369796 567246110 /nfs/dbraw/zinc/24/61/10/567246110.db2.gz FYYANHZHSDJAPE-UHFFFAOYSA-N 2 0 380.323 3.012 20 0 GGADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(Cl)cccc1Cl ZINC000525447307 567250355 /nfs/dbraw/zinc/25/03/55/567250355.db2.gz ZERWBAXSIOJAOK-CQSZACIVSA-N 2 0 389.371 3.232 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000567678076 567266509 /nfs/dbraw/zinc/26/65/09/567266509.db2.gz JJTHFIRGTOIYSK-FUHWJXTLSA-N 2 0 399.373 3.291 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000567688811 567266856 /nfs/dbraw/zinc/26/68/56/567266856.db2.gz ZSRZVURPJKLFIA-FUHWJXTLSA-N 2 0 399.373 3.146 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000567688812 567267839 /nfs/dbraw/zinc/26/78/39/567267839.db2.gz ZSRZVURPJKLFIA-SJLPKXTDSA-N 2 0 399.373 3.146 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC000567681094 567267935 /nfs/dbraw/zinc/26/79/35/567267935.db2.gz NRTRLJXSEUYTJJ-SFHVURJKSA-N 2 0 395.385 3.373 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681649 567267976 /nfs/dbraw/zinc/26/79/76/567267976.db2.gz XWIXNWSGYYWQSJ-ZBFHGGJFSA-N 2 0 375.340 3.443 20 0 GGADRP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000685457891 567275864 /nfs/dbraw/zinc/27/58/64/567275864.db2.gz RORNBAKDACJFOQ-QGZVFWFLSA-N 2 0 396.373 3.058 20 0 GGADRP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000685457875 567275977 /nfs/dbraw/zinc/27/59/77/567275977.db2.gz RCMGGDJGLJFJAP-SFHVURJKSA-N 2 0 380.374 3.358 20 0 GGADRP C[C@H]1C[C@H]1C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000685469247 567278509 /nfs/dbraw/zinc/27/85/09/567278509.db2.gz UBQVVNFLLKIONF-RDJZCZTQSA-N 2 0 398.364 3.294 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000591578343 567286580 /nfs/dbraw/zinc/28/65/80/567286580.db2.gz SOXCSAKNBMSMNX-DZGCQCFKSA-N 2 0 386.277 3.237 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000567870905 567286399 /nfs/dbraw/zinc/28/63/99/567286399.db2.gz WWSIEVJMUIEIGS-MJGOQNOKSA-N 2 0 390.325 3.326 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000526172428 567294178 /nfs/dbraw/zinc/29/41/78/567294178.db2.gz RCHOQCYBRKRGTP-UHFFFAOYSA-N 2 0 380.842 3.316 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1Cl ZINC000526134707 567294256 /nfs/dbraw/zinc/29/42/56/567294256.db2.gz LQOQHFLWESVWKX-UHFFFAOYSA-N 2 0 391.741 3.060 20 0 GGADRP C[C@]([NH3+])(C(=O)NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000567968201 567294798 /nfs/dbraw/zinc/29/47/98/567294798.db2.gz NGWFKNCPUJIEJF-GOSISDBHSA-N 2 0 382.346 3.005 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568406546 567327749 /nfs/dbraw/zinc/32/77/49/567327749.db2.gz OLJPDDUTXNZHOB-XJIUQZFPSA-N 2 0 380.330 3.144 20 0 GGADRP COc1ccc(Br)cc1CNCc1ccncc1OCC[NH+](C)C ZINC000568437166 567329021 /nfs/dbraw/zinc/32/90/21/567329021.db2.gz RTVNPZZNAZDIMY-UHFFFAOYSA-N 2 0 394.313 3.083 20 0 GGADRP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Br ZINC000527381535 567335394 /nfs/dbraw/zinc/33/53/94/567335394.db2.gz HWUXWYRXEOYJEW-UHFFFAOYSA-N 2 0 385.350 3.023 20 0 GGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nn2)cc1Cl ZINC000568628683 567344852 /nfs/dbraw/zinc/34/48/52/567344852.db2.gz VFKLXGDSIFVCPG-UONOGXRCSA-N 2 0 380.323 3.396 20 0 GGADRP COc1ccc(Br)cc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500979147 567357685 /nfs/dbraw/zinc/35/76/85/567357685.db2.gz BBDUHNWSZQSKST-UHFFFAOYSA-N 2 0 398.389 3.306 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435377935 567357994 /nfs/dbraw/zinc/35/79/94/567357994.db2.gz BHZDBUYBKXHPEO-DOMZBBRYSA-N 2 0 377.330 3.421 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000501019353 567358307 /nfs/dbraw/zinc/35/83/07/567358307.db2.gz CIDVWGYGCBOOIZ-UHFFFAOYSA-N 2 0 378.508 3.403 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527844581 567378123 /nfs/dbraw/zinc/37/81/23/567378123.db2.gz BNMXRKYMWZTOBV-CHWSQXEVSA-N 2 0 390.316 3.404 20 0 GGADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527853271 567380612 /nfs/dbraw/zinc/38/06/12/567380612.db2.gz TYZLZYYDMJYEBL-GFCCVEGCSA-N 2 0 390.316 3.404 20 0 GGADRP O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662290118 567423684 /nfs/dbraw/zinc/42/36/84/567423684.db2.gz KJGHVYQLCZMCKN-HNNXBMFYSA-N 2 0 380.330 3.099 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1cccs1 ZINC000662474177 567439743 /nfs/dbraw/zinc/43/97/43/567439743.db2.gz UBOUFBWPEBGTDC-UGSOOPFHSA-N 2 0 375.563 3.268 20 0 GGADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000569971859 567447613 /nfs/dbraw/zinc/44/76/13/567447613.db2.gz JAMZPLWIBQSPTC-MRXNPFEDSA-N 2 0 384.387 3.213 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000570037151 567454321 /nfs/dbraw/zinc/45/43/21/567454321.db2.gz OPRACTDWSJYHTB-WMZOPIPTSA-N 2 0 399.373 3.433 20 0 GGADRP C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000502842381 567457498 /nfs/dbraw/zinc/45/74/98/567457498.db2.gz MWLGUPHDNIPEFD-MRXNPFEDSA-N 2 0 379.595 3.001 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000570152184 567461434 /nfs/dbraw/zinc/46/14/34/567461434.db2.gz NYQGRLNXVLRGHU-LBPRGKRZSA-N 2 0 394.279 3.193 20 0 GGADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCSc3cc(Cl)ccc3Cl)C2)nn1 ZINC000570383779 567480399 /nfs/dbraw/zinc/48/03/99/567480399.db2.gz DAHASOHKBVSXND-AWEZNQCLSA-N 2 0 386.352 3.473 20 0 GGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000457700117 567483705 /nfs/dbraw/zinc/48/37/05/567483705.db2.gz HCPFFLLXYVHWDW-KRWDZBQOSA-N 2 0 380.583 3.186 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479061471 567499048 /nfs/dbraw/zinc/49/90/48/567499048.db2.gz NTLUCUHDBMJBTB-MAUKXSAKSA-N 2 0 394.357 3.004 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479067888 567500349 /nfs/dbraw/zinc/50/03/49/567500349.db2.gz WTSGWCFMDMYNKE-RDTXWAMCSA-N 2 0 380.374 3.397 20 0 GGADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cc(Br)ccc21 ZINC000479073620 567500928 /nfs/dbraw/zinc/50/09/28/567500928.db2.gz DWDUCGYVKXVAFD-GOSISDBHSA-N 2 0 381.358 3.465 20 0 GGADRP [NH3+]Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)co1 ZINC000570681432 567504749 /nfs/dbraw/zinc/50/47/49/567504749.db2.gz VZRNNVFPOUPLCX-UHFFFAOYSA-N 2 0 382.291 3.440 20 0 GGADRP COCC1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000643531115 567512079 /nfs/dbraw/zinc/51/20/79/567512079.db2.gz UKKILQNFITUPGJ-ZWKOTPCHSA-N 2 0 397.357 3.275 20 0 GGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570787884 567513422 /nfs/dbraw/zinc/51/34/22/567513422.db2.gz ACDSFGLGPHOQGP-QGZVFWFLSA-N 2 0 395.385 3.373 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479333307 567524682 /nfs/dbraw/zinc/52/46/82/567524682.db2.gz WNYUUUZUADLOSD-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008521 567534433 /nfs/dbraw/zinc/53/44/33/567534433.db2.gz UTWRFRZZEJBLGD-SJKOYZFVSA-N 2 0 382.289 3.352 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000571275867 567550280 /nfs/dbraw/zinc/55/02/80/567550280.db2.gz WHWBTTKEYZYJNW-BKTGTZMESA-N 2 0 393.325 3.323 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000571275868 567550409 /nfs/dbraw/zinc/55/04/09/567550409.db2.gz WHWBTTKEYZYJNW-FASAQXTFSA-N 2 0 393.325 3.323 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000644522512 567554973 /nfs/dbraw/zinc/55/49/73/567554973.db2.gz LBWAWRPCYKTWNL-GOSISDBHSA-N 2 0 399.373 3.291 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644576640 567560984 /nfs/dbraw/zinc/56/09/84/567560984.db2.gz NRQZQOMQTHVBSA-HNNXBMFYSA-N 2 0 375.340 3.445 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644588777 567561202 /nfs/dbraw/zinc/56/12/02/567561202.db2.gz UBQNWKYCSQRVAV-GJZGRUSLSA-N 2 0 375.340 3.301 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000644576626 567561271 /nfs/dbraw/zinc/56/12/71/567561271.db2.gz MMSQLYLMGOIEKU-INIZCTEOSA-N 2 0 375.340 3.445 20 0 GGADRP COC(=O)c1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000595505024 567567535 /nfs/dbraw/zinc/56/75/35/567567535.db2.gz PLHXJUDQSVULBQ-GOSISDBHSA-N 2 0 381.314 3.153 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571514453 567569395 /nfs/dbraw/zinc/56/93/95/567569395.db2.gz ITRMKHUDKLSKLH-VWPFQQQWSA-N 2 0 380.330 3.144 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000439182259 567570016 /nfs/dbraw/zinc/57/00/16/567570016.db2.gz HXYDHIHJLIRIIP-QGZVFWFLSA-N 2 0 380.583 3.186 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000571558707 567572366 /nfs/dbraw/zinc/57/23/66/567572366.db2.gz JRMHEDLAJIFHQU-AWEZNQCLSA-N 2 0 387.337 3.344 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789904 567597239 /nfs/dbraw/zinc/59/72/39/567597239.db2.gz NOKDDQXBTLHXSN-QGZVFWFLSA-N 2 0 386.367 3.410 20 0 GGADRP CSc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000572085300 567612937 /nfs/dbraw/zinc/61/29/37/567612937.db2.gz KWCITGJJBYKWQG-UHFFFAOYSA-N 2 0 381.611 3.284 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000572112169 567614248 /nfs/dbraw/zinc/61/42/48/567614248.db2.gz MXJDMLCXUPXNCD-LVHQOGBASA-N 2 0 381.973 3.130 20 0 GGADRP Oc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1Br ZINC000459472792 567627125 /nfs/dbraw/zinc/62/71/25/567627125.db2.gz WIDNNPBKIIXTGA-QGZVFWFLSA-N 2 0 391.309 3.011 20 0 GGADRP Oc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Br ZINC000459472789 567627645 /nfs/dbraw/zinc/62/76/45/567627645.db2.gz WIDNNPBKIIXTGA-KRWDZBQOSA-N 2 0 391.309 3.011 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645515965 567637003 /nfs/dbraw/zinc/63/70/03/567637003.db2.gz GCRHQBUYYJJYDH-KXBFYZLASA-N 2 0 396.373 3.251 20 0 GGADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000459561161 567638086 /nfs/dbraw/zinc/63/80/86/567638086.db2.gz QYEQSVIMXUQDSZ-SFHVURJKSA-N 2 0 394.288 3.275 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459691564 567651851 /nfs/dbraw/zinc/65/18/51/567651851.db2.gz GDZFXODXVZEUQK-OAHLLOKOSA-N 2 0 387.337 3.203 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728089 567655294 /nfs/dbraw/zinc/65/52/94/567655294.db2.gz CRIAUANOSYYGJG-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728091 567655308 /nfs/dbraw/zinc/65/53/08/567655308.db2.gz CRIAUANOSYYGJG-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481069575 567655401 /nfs/dbraw/zinc/65/54/01/567655401.db2.gz FTKZOIYSSXRQIE-OAHLLOKOSA-N 2 0 396.373 3.070 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459777239 567658070 /nfs/dbraw/zinc/65/80/70/567658070.db2.gz KIVPULNNHNFDLD-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763217 567662420 /nfs/dbraw/zinc/66/24/20/567662420.db2.gz TXEHPXYAUJTQPP-UONOGXRCSA-N 2 0 383.330 3.288 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763218 567663374 /nfs/dbraw/zinc/66/33/74/567663374.db2.gz TXEHPXYAUJTQPP-ZIAGYGMSSA-N 2 0 383.330 3.288 20 0 GGADRP COc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000572768400 567664568 /nfs/dbraw/zinc/66/45/68/567664568.db2.gz JCTKLPMDHNJXEO-HNAYVOBHSA-N 2 0 398.389 3.380 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000531937206 567690018 /nfs/dbraw/zinc/69/00/18/567690018.db2.gz MFEUFGBWQFWYPI-COXVUDFISA-N 2 0 380.330 3.383 20 0 GGADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CCO2 ZINC000646104902 567695332 /nfs/dbraw/zinc/69/53/32/567695332.db2.gz VAOIUKYYLYFJFF-UHFFFAOYSA-N 2 0 386.323 3.119 20 0 GGADRP Brc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)s1 ZINC000573207340 567696394 /nfs/dbraw/zinc/69/63/94/567696394.db2.gz NQVJDVHDXVPOGD-NEPJUHHUSA-N 2 0 397.342 3.382 20 0 GGADRP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ncc1Br ZINC000623361473 567705185 /nfs/dbraw/zinc/70/51/85/567705185.db2.gz FCVCZZMBSKJMEN-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623412662 567707171 /nfs/dbraw/zinc/70/71/71/567707171.db2.gz UWNQMJAEEDWVPU-ZDUSSCGKSA-N 2 0 377.273 3.054 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623412661 567707456 /nfs/dbraw/zinc/70/74/56/567707456.db2.gz UWNQMJAEEDWVPU-CYBMUJFWSA-N 2 0 377.273 3.054 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856549 567707936 /nfs/dbraw/zinc/70/79/36/567707936.db2.gz OZWXOXFCNIACQZ-MRXNPFEDSA-N 2 0 377.330 3.483 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1(C)C ZINC000442866626 567713929 /nfs/dbraw/zinc/71/39/29/567713929.db2.gz ITJUMNIAWWOZLW-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1(C)C ZINC000442871140 567714553 /nfs/dbraw/zinc/71/45/53/567714553.db2.gz HFEZKNLHIITNMQ-QGZVFWFLSA-N 2 0 384.337 3.191 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1(C)C ZINC000442872538 567714666 /nfs/dbraw/zinc/71/46/66/567714666.db2.gz JRZNMYMEUDFZFG-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1(C)C ZINC000442866625 567714745 /nfs/dbraw/zinc/71/47/45/567714745.db2.gz ITJUMNIAWWOZLW-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000442925340 567717412 /nfs/dbraw/zinc/71/74/12/567717412.db2.gz VABDUGKASGAYET-AWEZNQCLSA-N 2 0 388.293 3.121 20 0 GGADRP O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000573906596 567743502 /nfs/dbraw/zinc/74/35/02/567743502.db2.gz FUYZYNRZULFGTC-SJORKVTESA-N 2 0 380.330 3.384 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121224 567760549 /nfs/dbraw/zinc/76/05/49/567760549.db2.gz QFPJQJPQYNMWFY-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000555226290 567775114 /nfs/dbraw/zinc/77/51/14/567775114.db2.gz BQEWNVSBYGSDQA-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000555226291 567775167 /nfs/dbraw/zinc/77/51/67/567775167.db2.gz BQEWNVSBYGSDQA-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000555226293 567775416 /nfs/dbraw/zinc/77/54/16/567775416.db2.gz BQEWNVSBYGSDQA-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555563574 567788944 /nfs/dbraw/zinc/78/89/44/567788944.db2.gz LZBQNMGYQFMPAV-MRXNPFEDSA-N 2 0 381.358 3.131 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1O ZINC000647542929 567790548 /nfs/dbraw/zinc/79/05/48/567790548.db2.gz DVAKNXYJTWAICI-KBPBESRZSA-N 2 0 383.330 3.375 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000574845291 567800432 /nfs/dbraw/zinc/80/04/32/567800432.db2.gz SOJUCKMPAFYHEB-NEPJUHHUSA-N 2 0 376.257 3.423 20 0 GGADRP Brc1cncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798836 567801730 /nfs/dbraw/zinc/80/17/30/567801730.db2.gz XZSURWKBYADAND-GMTAPVOTSA-N 2 0 389.135 3.084 20 0 GGADRP C[NH2+]CC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000647837695 567803426 /nfs/dbraw/zinc/80/34/26/567803426.db2.gz MOIUGRWXTGSHHE-UHFFFAOYSA-N 2 0 375.314 3.338 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872244 567804155 /nfs/dbraw/zinc/80/41/55/567804155.db2.gz LUQIDKGDELCWCA-UHFFFAOYSA-N 2 0 382.346 3.408 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647977053 567808909 /nfs/dbraw/zinc/80/89/09/567808909.db2.gz XKZQEXUXKJUDGC-HZPDHXFCSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647977052 567809054 /nfs/dbraw/zinc/80/90/54/567809054.db2.gz XKZQEXUXKJUDGC-HOTGVXAUSA-N 2 0 394.357 3.489 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975756 567809070 /nfs/dbraw/zinc/80/90/70/567809070.db2.gz FOPWBBSQPRAVPY-JKSUJKDBSA-N 2 0 394.357 3.408 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000575058004 567811256 /nfs/dbraw/zinc/81/12/56/567811256.db2.gz FSDVBTLZJSUIIK-LLVKDONJSA-N 2 0 394.368 3.023 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237517914 570374609 /nfs/dbraw/zinc/37/46/09/570374609.db2.gz ILVBVSUANKHZRT-SFTDATJTSA-N 2 0 383.580 3.421 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237683513 570390418 /nfs/dbraw/zinc/39/04/18/570390418.db2.gz ILVBVSUANKHZRT-RTWAWAEBSA-N 2 0 383.580 3.421 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223736 570721430 /nfs/dbraw/zinc/72/14/30/570721430.db2.gz ZVZDMWIYLJOOKM-KRWDZBQOSA-N 2 0 388.581 3.103 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000299738916 570823552 /nfs/dbraw/zinc/82/35/52/570823552.db2.gz ILVBVSUANKHZRT-LEWJYISDSA-N 2 0 383.580 3.421 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000736827447 598509868 /nfs/dbraw/zinc/50/98/68/598509868.db2.gz DFNLDJIDKWRNKI-UHFFFAOYSA-N 2 0 394.498 3.350 20 0 GGADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821160020 599643747 /nfs/dbraw/zinc/64/37/47/599643747.db2.gz FYBFNVHLXCQNPI-SFHVURJKSA-N 2 0 376.508 3.307 20 0 GGADRP C[N@@H+]1CCC[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623803 607483326 /nfs/dbraw/zinc/48/33/26/607483326.db2.gz SVYJIFVIJJUBAB-CRAIPNDOSA-N 2 0 386.500 3.240 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833614399 605219090 /nfs/dbraw/zinc/21/90/90/605219090.db2.gz LZAODAYSCDQJME-LJQANCHMSA-N 2 0 387.568 3.337 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833614335 605219823 /nfs/dbraw/zinc/21/98/23/605219823.db2.gz GHKIILOAAFWDEK-LJQANCHMSA-N 2 0 387.568 3.480 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820709311 606211507 /nfs/dbraw/zinc/21/15/07/606211507.db2.gz HEAWMVUWHJJGEA-OAHLLOKOSA-N 2 0 382.537 3.450 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000820727405 606409320 /nfs/dbraw/zinc/40/93/20/606409320.db2.gz LLZAAYBEGDTEHL-UHFFFAOYSA-N 2 0 382.537 3.450 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821189602 606489022 /nfs/dbraw/zinc/48/90/22/606489022.db2.gz QBAJACNEKWLKNV-UHFFFAOYSA-N 2 0 394.470 3.022 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000820413635 607084495 /nfs/dbraw/zinc/08/44/95/607084495.db2.gz SVLICARZOXATRM-CVEARBPZSA-N 2 0 380.496 3.219 20 0 GGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824884308 607812358 /nfs/dbraw/zinc/81/23/58/607812358.db2.gz NFGBXCHMEJPFIX-RDJZCZTQSA-N 2 0 382.537 3.319 20 0 GGADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882897 607812560 /nfs/dbraw/zinc/81/25/60/607812560.db2.gz DFQBDKJKLAEPIT-PXNSSMCTSA-N 2 0 376.508 3.257 20 0 GGADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882896 607812569 /nfs/dbraw/zinc/81/25/69/607812569.db2.gz DFQBDKJKLAEPIT-FXAWDEMLSA-N 2 0 376.508 3.257 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824936744 608400845 /nfs/dbraw/zinc/40/08/45/608400845.db2.gz LTAZPQGIRPBKKA-INIZCTEOSA-N 2 0 386.519 3.482 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825918453 608420386 /nfs/dbraw/zinc/42/03/86/608420386.db2.gz FKNXSMICKRGMJJ-UHFFFAOYSA-N 2 0 395.486 3.139 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612287 609323359 /nfs/dbraw/zinc/32/33/59/609323359.db2.gz MCJCTDSUTXGOOK-OAHLLOKOSA-N 2 0 380.471 3.452 20 0 GGADRP COc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000053250494 1406343733 /nfs/dbraw/zinc/34/37/33/1406343733.db2.gz UFNWLTUOPZPGHG-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054029931 1406592177 /nfs/dbraw/zinc/59/21/77/1406592177.db2.gz UPIMPNSEXJECDA-OAQYLSRUSA-N 2 0 396.535 3.380 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 ZINC000054037576 1406598006 /nfs/dbraw/zinc/59/80/06/1406598006.db2.gz JMUOSDIJNXMKTR-IRXDYDNUSA-N 2 0 390.553 3.470 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000054039773 1406600288 /nfs/dbraw/zinc/60/02/88/1406600288.db2.gz DJRWZPPHCMYLEN-JKSUJKDBSA-N 2 0 376.526 3.080 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000054042491 1406601591 /nfs/dbraw/zinc/60/15/91/1406601591.db2.gz ORTTWYASUBXHSH-QHCPKHFHSA-N 2 0 394.563 3.123 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000054042494 1406601737 /nfs/dbraw/zinc/60/17/37/1406601737.db2.gz ORTTWYASUBXHSH-HSZRJFAPSA-N 2 0 394.563 3.123 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000054042802 1406602027 /nfs/dbraw/zinc/60/20/27/1406602027.db2.gz OAJFMZUYXNGGQB-QFIPXVFZSA-N 2 0 398.526 3.392 20 0 GGADRP O=C(NCCC[NH+]1CCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000054045740 1406603784 /nfs/dbraw/zinc/60/37/84/1406603784.db2.gz NHEQZEPKCMTKAK-LJQANCHMSA-N 2 0 378.948 3.262 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000054385508 1406711095 /nfs/dbraw/zinc/71/10/95/1406711095.db2.gz CLIPTLKWWSOWDN-GOSISDBHSA-N 2 0 387.572 3.070 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000054509944 1406756333 /nfs/dbraw/zinc/75/63/33/1406756333.db2.gz YUJKMRRDCJTYIZ-GOSISDBHSA-N 2 0 392.975 3.336 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000054509497 1406756215 /nfs/dbraw/zinc/75/62/15/1406756215.db2.gz GKEMVIVKCDMEDV-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000054509496 1406756467 /nfs/dbraw/zinc/75/64/67/1406756467.db2.gz GKEMVIVKCDMEDV-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000054511627 1406757943 /nfs/dbraw/zinc/75/79/43/1406757943.db2.gz FDVKPBHNBSJPIA-HXUWFJFHSA-N 2 0 386.584 3.450 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054761336 1406820033 /nfs/dbraw/zinc/82/00/33/1406820033.db2.gz YIKWKSGQBPMMKJ-UHFFFAOYSA-N 2 0 386.515 3.031 20 0 GGADRP C(CN1CCC([NH+]2CCCCC2)CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000005841317 1398482556 /nfs/dbraw/zinc/48/25/56/1398482556.db2.gz OSYJPZZXFMVTKI-UHFFFAOYSA-N 2 0 376.633 3.277 20 0 GGADRP CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000015402963 1399161555 /nfs/dbraw/zinc/16/15/55/1399161555.db2.gz FNYPCFLLIVIKAK-UHFFFAOYSA-N 2 0 380.536 3.289 20 0 GGADRP CC1(C)CC(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000056441279 1407331370 /nfs/dbraw/zinc/33/13/70/1407331370.db2.gz NERYPEBEPSFSBI-UHFFFAOYSA-N 2 0 390.547 3.399 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000042910927 1403672625 /nfs/dbraw/zinc/67/26/25/1403672625.db2.gz FMWURNAKJQEFDG-MRXNPFEDSA-N 2 0 378.586 3.493 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000042929667 1403674829 /nfs/dbraw/zinc/67/48/29/1403674829.db2.gz KSNBWCXLZLCGCG-UHFFFAOYSA-N 2 0 386.584 3.462 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043038010 1403694892 /nfs/dbraw/zinc/69/48/92/1403694892.db2.gz HBIBSQUESBCQQN-SFHVURJKSA-N 2 0 378.586 3.497 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167311 1403723406 /nfs/dbraw/zinc/72/34/06/1403723406.db2.gz LNENELBPFACLRM-LJQANCHMSA-N 2 0 376.545 3.228 20 0 GGADRP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000056523060 1407352384 /nfs/dbraw/zinc/35/23/84/1407352384.db2.gz CGBMZKISWQZQTA-XJDXJNMNSA-N 2 0 376.541 3.132 20 0 GGADRP CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523238 1407352398 /nfs/dbraw/zinc/35/23/98/1407352398.db2.gz ASYCMJAUCCBLHL-QGZVFWFLSA-N 2 0 389.540 3.243 20 0 GGADRP CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000043454756 1403764594 /nfs/dbraw/zinc/76/45/94/1403764594.db2.gz FPYHHDWXQCCAPV-UHFFFAOYSA-N 2 0 393.963 3.088 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000043491157 1403773630 /nfs/dbraw/zinc/77/36/30/1403773630.db2.gz QPNNAMSLAIZNIP-UHFFFAOYSA-N 2 0 387.572 3.133 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043564693 1403785043 /nfs/dbraw/zinc/78/50/43/1403785043.db2.gz FQKKTEVXUXGHLL-IBGZPJMESA-N 2 0 395.016 3.253 20 0 GGADRP C[NH+](C)CCCNC(=S)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043580362 1403787847 /nfs/dbraw/zinc/78/78/47/1403787847.db2.gz PTYXAAJKPJVBOS-UHFFFAOYSA-N 2 0 384.593 3.331 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043993575 1403857399 /nfs/dbraw/zinc/85/73/99/1403857399.db2.gz FYOCMTPURRCJKC-UHFFFAOYSA-N 2 0 397.523 3.156 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000044104749 1403876330 /nfs/dbraw/zinc/87/63/30/1403876330.db2.gz RPPMNTXHGKRNAW-GOSISDBHSA-N 2 0 378.586 3.178 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000044104752 1403876416 /nfs/dbraw/zinc/87/64/16/1403876416.db2.gz RPPMNTXHGKRNAW-SFHVURJKSA-N 2 0 378.586 3.178 20 0 GGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000044277284 1403911502 /nfs/dbraw/zinc/91/15/02/1403911502.db2.gz LPUHJFRJPOOINP-UHFFFAOYSA-N 2 0 396.535 3.497 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000045462776 1404127102 /nfs/dbraw/zinc/12/71/02/1404127102.db2.gz JTPJIRCRFKMQGE-UHFFFAOYSA-N 2 0 386.584 3.379 20 0 GGADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045550091 1404144984 /nfs/dbraw/zinc/14/49/84/1404144984.db2.gz QEKFCIGTAPOMFH-UHFFFAOYSA-N 2 0 380.964 3.336 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000045776860 1404201484 /nfs/dbraw/zinc/20/14/84/1404201484.db2.gz CGUIRKIBSXERNE-FCHUYYIVSA-N 2 0 384.568 3.345 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047777402 1404938768 /nfs/dbraw/zinc/93/87/68/1404938768.db2.gz IHOFJVZONURYCP-SFTDATJTSA-N 2 0 396.535 3.380 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000047776695 1404938887 /nfs/dbraw/zinc/93/88/87/1404938887.db2.gz JACAMMOHKQRCOH-UHFFFAOYSA-N 2 0 380.536 3.072 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047871728 1404979198 /nfs/dbraw/zinc/97/91/98/1404979198.db2.gz CFGVSPKELVLMHZ-NRFANRHFSA-N 2 0 396.535 3.164 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000047882914 1404982516 /nfs/dbraw/zinc/98/25/16/1404982516.db2.gz AROLMOBYAYORHM-NQIIRXRSSA-N 2 0 396.535 3.163 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000047884951 1404983709 /nfs/dbraw/zinc/98/37/09/1404983709.db2.gz OHUPCSYEWNNTPY-OAQYLSRUSA-N 2 0 390.572 3.250 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000047978240 1405014477 /nfs/dbraw/zinc/01/44/77/1405014477.db2.gz QCIFWCLJSXWWNP-UHFFFAOYSA-N 2 0 377.598 3.421 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000048059287 1405037282 /nfs/dbraw/zinc/03/72/82/1405037282.db2.gz KQJZBRYOLVLEJS-OAQYLSRUSA-N 2 0 399.514 3.002 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000048394995 1405177186 /nfs/dbraw/zinc/17/71/86/1405177186.db2.gz IRAFVQIHSOVHCA-GOSISDBHSA-N 2 0 384.568 3.345 20 0 GGADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048564790 1405226697 /nfs/dbraw/zinc/22/66/97/1405226697.db2.gz PSIHLMVLYXNPAH-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000048779449 1405290411 /nfs/dbraw/zinc/29/04/11/1405290411.db2.gz NIBITDGYGMZBGT-GOSISDBHSA-N 2 0 398.551 3.460 20 0 GGADRP CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048785047 1405291617 /nfs/dbraw/zinc/29/16/17/1405291617.db2.gz NSJVCHJKEZRXKQ-UHFFFAOYSA-N 2 0 384.524 3.447 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000048828832 1405301806 /nfs/dbraw/zinc/30/18/06/1405301806.db2.gz FWEMRPCBAPIIHZ-UHFFFAOYSA-N 2 0 394.563 3.384 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000049795164 1405418253 /nfs/dbraw/zinc/41/82/53/1405418253.db2.gz OJLWYWCGYXBTNI-HSZRJFAPSA-N 2 0 394.563 3.077 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000049795163 1405418426 /nfs/dbraw/zinc/41/84/26/1405418426.db2.gz OJLWYWCGYXBTNI-QHCPKHFHSA-N 2 0 394.563 3.077 20 0 GGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189707 1405740722 /nfs/dbraw/zinc/74/07/22/1405740722.db2.gz SDSNEDYMWUVLBD-UHFFFAOYSA-N 2 0 395.595 3.196 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(OCc4ccccn4)c3)CC2)CC1 ZINC000051189683 1405740905 /nfs/dbraw/zinc/74/09/05/1405740905.db2.gz XIOKZTJQGLWEEZ-UHFFFAOYSA-N 2 0 394.563 3.309 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000056780764 1407430763 /nfs/dbraw/zinc/43/07/63/1407430763.db2.gz ZSOIPXMULOBJLQ-UHFFFAOYSA-N 2 0 378.536 3.208 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)o1 ZINC000056793118 1407434714 /nfs/dbraw/zinc/43/47/14/1407434714.db2.gz ZRXCDDPIJAAEHQ-QGZVFWFLSA-N 2 0 378.542 3.026 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000056793115 1407434829 /nfs/dbraw/zinc/43/48/29/1407434829.db2.gz ABZDKVWAHFTLNK-SFHVURJKSA-N 2 0 392.544 3.263 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056796626 1407435556 /nfs/dbraw/zinc/43/55/56/1407435556.db2.gz LKECMLMQBJMVBP-JOCHJYFZSA-N 2 0 398.526 3.173 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000056937858 1407479027 /nfs/dbraw/zinc/47/90/27/1407479027.db2.gz UQFDKUUADKYHKC-MOPGFXCFSA-N 2 0 388.487 3.158 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000057039137 1407506600 /nfs/dbraw/zinc/50/66/00/1407506600.db2.gz JKPGMBZDHLOLBV-SFHVURJKSA-N 2 0 390.547 3.211 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057123972 1407527969 /nfs/dbraw/zinc/52/79/69/1407527969.db2.gz LREGFCSPOAFMCE-RTWAWAEBSA-N 2 0 381.520 3.445 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057138945 1407534359 /nfs/dbraw/zinc/53/43/59/1407534359.db2.gz STYWVELYGBGJEE-QHCPKHFHSA-N 2 0 377.532 3.432 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057155250 1407538275 /nfs/dbraw/zinc/53/82/75/1407538275.db2.gz WDSUXUTXRDDXKP-UHFFFAOYSA-N 2 0 377.532 3.073 20 0 GGADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000057166098 1407540301 /nfs/dbraw/zinc/54/03/01/1407540301.db2.gz DPZKGLDZBIGCKH-NQIIRXRSSA-N 2 0 388.556 3.006 20 0 GGADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000057168956 1407542169 /nfs/dbraw/zinc/54/21/69/1407542169.db2.gz XYJACDUIWWXIPG-FQEVSTJZSA-N 2 0 391.559 3.462 20 0 GGADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057174564 1407546066 /nfs/dbraw/zinc/54/60/66/1407546066.db2.gz KFIJHXNOYOFZSB-JOCHJYFZSA-N 2 0 395.547 3.155 20 0 GGADRP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000057705817 1407694829 /nfs/dbraw/zinc/69/48/29/1407694829.db2.gz BYLCPESWLKLWGG-KXBFYZLASA-N 2 0 383.458 3.040 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000057844088 1407736415 /nfs/dbraw/zinc/73/64/15/1407736415.db2.gz OFASGSUIYKDQRB-UHFFFAOYSA-N 2 0 397.588 3.477 20 0 GGADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889780 1407747449 /nfs/dbraw/zinc/74/74/49/1407747449.db2.gz WJVITHJGDSDZQR-IBGZPJMESA-N 2 0 389.559 3.461 20 0 GGADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889781 1407748124 /nfs/dbraw/zinc/74/81/24/1407748124.db2.gz WJVITHJGDSDZQR-LJQANCHMSA-N 2 0 389.559 3.461 20 0 GGADRP NC(=O)COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000057970645 1407763411 /nfs/dbraw/zinc/76/34/11/1407763411.db2.gz VKNYSABURQRFSN-UHFFFAOYSA-N 2 0 381.520 3.217 20 0 GGADRP Cc1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1N1CC[NH+](C)CC1 ZINC000058418765 1407825404 /nfs/dbraw/zinc/82/54/04/1407825404.db2.gz GICQEHYYVHJBJT-UHFFFAOYSA-N 2 0 387.572 3.085 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000060551533 1408000637 /nfs/dbraw/zinc/00/06/37/1408000637.db2.gz XGASGWXUGFDQNO-UHFFFAOYSA-N 2 0 378.520 3.287 20 0 GGADRP FC(F)Oc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000060927177 1408052859 /nfs/dbraw/zinc/05/28/59/1408052859.db2.gz APKXMWLOJNVWHW-UHFFFAOYSA-N 2 0 375.463 3.195 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000060955157 1408056441 /nfs/dbraw/zinc/05/64/41/1408056441.db2.gz JDMSBDPBGSMIJY-GCJKJVERSA-N 2 0 380.536 3.035 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000061000085 1408062665 /nfs/dbraw/zinc/06/26/65/1408062665.db2.gz RLRSMUCYKPESAW-OALUTQOASA-N 2 0 395.547 3.318 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(OC)c3OC)cc2)CC1 ZINC000061070124 1408074069 /nfs/dbraw/zinc/07/40/69/1408074069.db2.gz VDSYGXRXHZPBGU-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000061070271 1408074097 /nfs/dbraw/zinc/07/40/97/1408074097.db2.gz SCXHKYCLCSFNIN-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000061795588 1408178898 /nfs/dbraw/zinc/17/88/98/1408178898.db2.gz WFOCWNKPDNXAKF-NRFANRHFSA-N 2 0 386.515 3.380 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000061795633 1408178979 /nfs/dbraw/zinc/17/89/79/1408178979.db2.gz YLZXYQKZBHRICW-QFIPXVFZSA-N 2 0 398.551 3.249 20 0 GGADRP CC1CC[NH+](CCNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000061867036 1408185727 /nfs/dbraw/zinc/18/57/27/1408185727.db2.gz LEKSYYNOPZSFPT-UHFFFAOYSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000061960069 1408192844 /nfs/dbraw/zinc/19/28/44/1408192844.db2.gz OUKUIVOJLAKVTM-ZCNNSNEGSA-N 2 0 386.584 3.100 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062009155 1408202362 /nfs/dbraw/zinc/20/23/62/1408202362.db2.gz HUWSYMKMYSXKPZ-QFIPXVFZSA-N 2 0 380.536 3.212 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000062473189 1408262850 /nfs/dbraw/zinc/26/28/50/1408262850.db2.gz UXKYWXADXYKBIZ-FQEVSTJZSA-N 2 0 384.524 3.368 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063146953 1408307140 /nfs/dbraw/zinc/30/71/40/1408307140.db2.gz JTTZFVIDDZLGSH-UHFFFAOYSA-N 2 0 388.625 3.236 20 0 GGADRP C[NH+](C)C1(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000063143785 1408307515 /nfs/dbraw/zinc/30/75/15/1408307515.db2.gz QQJWHEWLSKWBQY-UHFFFAOYSA-N 2 0 388.625 3.380 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332521 1408338840 /nfs/dbraw/zinc/33/88/40/1408338840.db2.gz YWYWENZKNDEQHC-UHFFFAOYSA-N 2 0 398.595 3.389 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000063407930 1408349892 /nfs/dbraw/zinc/34/98/92/1408349892.db2.gz HQCLWLDLNXPMHG-QFIPXVFZSA-N 2 0 386.584 3.113 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000176415142 1428311284 /nfs/dbraw/zinc/31/12/84/1428311284.db2.gz PXCYVAQFCSWHSC-RTWAWAEBSA-N 2 0 384.568 3.092 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063464579 1408358960 /nfs/dbraw/zinc/35/89/60/1408358960.db2.gz ZKLVWWWCNGDMDU-QFIPXVFZSA-N 2 0 386.584 3.320 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000063727547 1408397717 /nfs/dbraw/zinc/39/77/17/1408397717.db2.gz DEKAPLITTMRABB-LJQANCHMSA-N 2 0 375.532 3.371 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000176432372 1428318062 /nfs/dbraw/zinc/31/80/62/1428318062.db2.gz IQQFLFDFFVOQGN-LJQANCHMSA-N 2 0 392.544 3.263 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000064225201 1408514437 /nfs/dbraw/zinc/51/44/37/1408514437.db2.gz LIYZMNLWDIQAFA-NRFANRHFSA-N 2 0 386.515 3.380 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064244615 1408520649 /nfs/dbraw/zinc/52/06/49/1408520649.db2.gz CGPKCVVNPCRRRM-UHFFFAOYSA-N 2 0 392.613 3.476 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000064346652 1408537387 /nfs/dbraw/zinc/53/73/87/1408537387.db2.gz DOTHMFUEANXVBV-UHFFFAOYSA-N 2 0 387.568 3.103 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000064754530 1408608388 /nfs/dbraw/zinc/60/83/88/1408608388.db2.gz QDMRZPHMYJAPCX-OALUTQOASA-N 2 0 390.597 3.230 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176478493 1428333800 /nfs/dbraw/zinc/33/38/00/1428333800.db2.gz JZFQNKHQIKXZGS-OAQYLSRUSA-N 2 0 386.584 3.414 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)[NH+](C)C)cc1 ZINC000065469628 1408674037 /nfs/dbraw/zinc/67/40/37/1408674037.db2.gz YKRZQEVOKFZONW-QHCPKHFHSA-N 2 0 396.579 3.414 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000065481968 1408676638 /nfs/dbraw/zinc/67/66/38/1408676638.db2.gz LMODFVYSIUIQIY-HXUWFJFHSA-N 2 0 399.539 3.021 20 0 GGADRP C[N@H+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)Cc1ccccc1 ZINC000065542210 1408686428 /nfs/dbraw/zinc/68/64/28/1408686428.db2.gz POCZAJWKKGFQKR-UHFFFAOYSA-N 2 0 386.584 3.416 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000176508501 1428344136 /nfs/dbraw/zinc/34/41/36/1428344136.db2.gz GTQSJXFAHBCPHG-QFIPXVFZSA-N 2 0 386.584 3.176 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000066047523 1408778874 /nfs/dbraw/zinc/77/88/74/1408778874.db2.gz FCROMFRWIJPQQS-UHFFFAOYSA-N 2 0 381.520 3.153 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176347 1408787229 /nfs/dbraw/zinc/78/72/29/1408787229.db2.gz HFZPUJAELOQWLO-HXUWFJFHSA-N 2 0 390.959 3.184 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000066189851 1408789012 /nfs/dbraw/zinc/78/90/12/1408789012.db2.gz DGLJWCUKVCUXOD-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000066192029 1408789485 /nfs/dbraw/zinc/78/94/85/1408789485.db2.gz FCNWGHFHRVVFMY-SFHVURJKSA-N 2 0 392.613 3.476 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000066394907 1408829646 /nfs/dbraw/zinc/82/96/46/1408829646.db2.gz DVHMHGSHPXPGGZ-IBGZPJMESA-N 2 0 375.532 3.371 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1 ZINC000066622330 1408871014 /nfs/dbraw/zinc/87/10/14/1408871014.db2.gz AXRWIQRVDDLDHR-JOCHJYFZSA-N 2 0 380.536 3.378 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000066960901 1408963830 /nfs/dbraw/zinc/96/38/30/1408963830.db2.gz QUBLUQSYATVKPN-KRWDZBQOSA-N 2 0 389.540 3.229 20 0 GGADRP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000066994787 1408974765 /nfs/dbraw/zinc/97/47/65/1408974765.db2.gz UFHPTOBJBLXCTL-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000066994735 1408974794 /nfs/dbraw/zinc/97/47/94/1408974794.db2.gz MISDXOJTSFKUIK-UHFFFAOYSA-N 2 0 390.325 3.030 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000067003306 1408977835 /nfs/dbraw/zinc/97/78/35/1408977835.db2.gz SJBDAOBNXAEFDX-PMACEKPBSA-N 2 0 384.524 3.327 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccco1 ZINC000067003494 1408977845 /nfs/dbraw/zinc/97/78/45/1408977845.db2.gz SJBPPXSKEMDALY-MSOLQXFVSA-N 2 0 388.512 3.392 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000067041836 1408990332 /nfs/dbraw/zinc/99/03/32/1408990332.db2.gz YCAAMUYDOXZPLM-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000067120844 1409013146 /nfs/dbraw/zinc/01/31/46/1409013146.db2.gz MUQWBHJHKNUXQU-SFHVURJKSA-N 2 0 381.520 3.072 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120733 1409013526 /nfs/dbraw/zinc/01/35/26/1409013526.db2.gz UJPNIILPVQASEK-SFHVURJKSA-N 2 0 381.520 3.072 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000067189306 1409036743 /nfs/dbraw/zinc/03/67/43/1409036743.db2.gz XTIOPUHBOWJPSL-ROUUACIJSA-N 2 0 384.568 3.260 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067280785 1409063082 /nfs/dbraw/zinc/06/30/82/1409063082.db2.gz CYDIJFPZWVRDCI-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000067391757 1409098758 /nfs/dbraw/zinc/09/87/58/1409098758.db2.gz NXDAKQCSBNQPOI-FCHUYYIVSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@@H](C)O1 ZINC000067453139 1409122541 /nfs/dbraw/zinc/12/25/41/1409122541.db2.gz QMBJASMWAPHQNQ-ZIAGYGMSSA-N 2 0 399.329 3.157 20 0 GGADRP Cc1ccc([C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000067507478 1409139832 /nfs/dbraw/zinc/13/98/32/1409139832.db2.gz GXKHPIREEFHPEJ-QFIPXVFZSA-N 2 0 395.551 3.171 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067570093 1409169253 /nfs/dbraw/zinc/16/92/53/1409169253.db2.gz XRUDRHKJFCACGN-NRFANRHFSA-N 2 0 386.584 3.318 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176637049 1428387128 /nfs/dbraw/zinc/38/71/28/1428387128.db2.gz PCYYDRHNEDIREJ-ROUUACIJSA-N 2 0 380.602 3.474 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000067671643 1409203862 /nfs/dbraw/zinc/20/38/62/1409203862.db2.gz YLOAVMCBPLJLOA-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000067671584 1409204128 /nfs/dbraw/zinc/20/41/28/1409204128.db2.gz QUYKMGSXUJRTPO-MRXNPFEDSA-N 2 0 398.389 3.354 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000067671619 1409204220 /nfs/dbraw/zinc/20/42/20/1409204220.db2.gz BLFIXAPWRKUVRA-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000067684858 1409206943 /nfs/dbraw/zinc/20/69/43/1409206943.db2.gz LRYLRDQEMQMVLP-UNMCSNQZSA-N 2 0 386.584 3.489 20 0 GGADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]Cc3ncc[nH]3)CC2)c1 ZINC000067693732 1409207641 /nfs/dbraw/zinc/20/76/41/1409207641.db2.gz RAACRYJGDVJECE-UHFFFAOYSA-N 2 0 381.446 3.121 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000067707617 1409211005 /nfs/dbraw/zinc/21/10/05/1409211005.db2.gz XUVKJPZLKCYMHW-FQEVSTJZSA-N 2 0 386.584 3.113 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccco1 ZINC000067709124 1409212476 /nfs/dbraw/zinc/21/24/76/1409212476.db2.gz FVHPSMYBNJEURX-DLBZAZTESA-N 2 0 378.542 3.326 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccco1 ZINC000067709122 1409212703 /nfs/dbraw/zinc/21/27/03/1409212703.db2.gz FVHPSMYBNJEURX-IRXDYDNUSA-N 2 0 378.542 3.326 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067771929 1409226619 /nfs/dbraw/zinc/22/66/19/1409226619.db2.gz IXWPUDHOYSTORZ-UHFFFAOYSA-N 2 0 386.584 3.318 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067773153 1409227012 /nfs/dbraw/zinc/22/70/12/1409227012.db2.gz YXUDPXKNWYTUKN-UHFFFAOYSA-N 2 0 394.563 3.460 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000067976080 1409267537 /nfs/dbraw/zinc/26/75/37/1409267537.db2.gz XQOROFWKZZUCSD-QFIPXVFZSA-N 2 0 397.519 3.034 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132430 1409310422 /nfs/dbraw/zinc/31/04/22/1409310422.db2.gz WOAOMWQAQQQIGO-NRFANRHFSA-N 2 0 387.593 3.326 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000176658600 1428394658 /nfs/dbraw/zinc/39/46/58/1428394658.db2.gz RBZHXRRRLMQNIW-URVUXULASA-N 2 0 386.584 3.270 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000068546748 1409434778 /nfs/dbraw/zinc/43/47/78/1409434778.db2.gz SDXDFQAMSWYSMP-SFHVURJKSA-N 2 0 380.964 3.145 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584946 1409445511 /nfs/dbraw/zinc/44/55/11/1409445511.db2.gz ZSLYOZZIYCUYAE-RTBURBONSA-N 2 0 378.948 3.040 20 0 GGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068843797 1409506646 /nfs/dbraw/zinc/50/66/46/1409506646.db2.gz XSQBZRURORCWQA-QFIPXVFZSA-N 2 0 384.568 3.215 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068843798 1409506733 /nfs/dbraw/zinc/50/67/33/1409506733.db2.gz XSQBZRURORCWQA-JOCHJYFZSA-N 2 0 384.568 3.215 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccccc1F ZINC000068861195 1409509731 /nfs/dbraw/zinc/50/97/31/1409509731.db2.gz KRAIMTBQGHDZPH-LJQANCHMSA-N 2 0 397.538 3.469 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000068887039 1409516194 /nfs/dbraw/zinc/51/61/94/1409516194.db2.gz MACOVGHGUOPLJG-IBGZPJMESA-N 2 0 378.605 3.452 20 0 GGADRP CN(CCC#N)c1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000069171455 1409580233 /nfs/dbraw/zinc/58/02/33/1409580233.db2.gz UFFRIYJNUZJZFU-DEOSSOPVSA-N 2 0 391.563 3.115 20 0 GGADRP C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000069383618 1409625826 /nfs/dbraw/zinc/62/58/26/1409625826.db2.gz XHQXHHNNMOIBOT-UHFFFAOYSA-N 2 0 386.584 3.115 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000176704478 1428421151 /nfs/dbraw/zinc/42/11/51/1428421151.db2.gz MIDOPEJJQFYKOS-GOSISDBHSA-N 2 0 390.553 3.251 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000069679676 1409673747 /nfs/dbraw/zinc/67/37/47/1409673747.db2.gz UXVMVEIJGUAKCH-UHFFFAOYSA-N 2 0 381.520 3.039 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000069680639 1409674133 /nfs/dbraw/zinc/67/41/33/1409674133.db2.gz SYPSYMQSKQARJM-UHFFFAOYSA-N 2 0 383.414 3.253 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069681333 1409674479 /nfs/dbraw/zinc/67/44/79/1409674479.db2.gz CZFWYWUJSLFMHL-INIZCTEOSA-N 2 0 389.975 3.258 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1)C(C)C ZINC000069743623 1409687209 /nfs/dbraw/zinc/68/72/09/1409687209.db2.gz SJPNLXHYCYLKJZ-NRFANRHFSA-N 2 0 387.568 3.101 20 0 GGADRP CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000069756562 1409692429 /nfs/dbraw/zinc/69/24/29/1409692429.db2.gz QLGLGHNXZYBSER-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000069822447 1409708797 /nfs/dbraw/zinc/70/87/97/1409708797.db2.gz UTUPRXYHSCBDLJ-SFHVURJKSA-N 2 0 378.586 3.086 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)CC1 ZINC000071027705 1409814193 /nfs/dbraw/zinc/81/41/93/1409814193.db2.gz PQIJHTNGSFGHFV-UHFFFAOYSA-N 2 0 390.491 3.050 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071913289 1409830088 /nfs/dbraw/zinc/83/00/88/1409830088.db2.gz YEPGFFYLKQXKCR-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071913290 1409830105 /nfs/dbraw/zinc/83/01/05/1409830105.db2.gz YEPGFFYLKQXKCR-JOCHJYFZSA-N 2 0 380.536 3.385 20 0 GGADRP C[NH+](C)CCn1cc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cn1 ZINC000072064496 1409843781 /nfs/dbraw/zinc/84/37/81/1409843781.db2.gz GSZGDVDBWJESHE-UHFFFAOYSA-N 2 0 391.519 3.329 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CC1 ZINC000072859295 1409854525 /nfs/dbraw/zinc/85/45/25/1409854525.db2.gz DRXYFMCLQVSSAV-UHFFFAOYSA-N 2 0 378.948 3.151 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000072973635 1409856395 /nfs/dbraw/zinc/85/63/95/1409856395.db2.gz UKGGVFCKHNDJMP-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000073442811 1409861089 /nfs/dbraw/zinc/86/10/89/1409861089.db2.gz MRWSXPFZJGPUJI-MOPGFXCFSA-N 2 0 376.545 3.322 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](CC)[NH+]2CCc3ccccc3C2)C1 ZINC000073657210 1409863747 /nfs/dbraw/zinc/86/37/47/1409863747.db2.gz VJBHQWUIMVESCW-DENIHFKCSA-N 2 0 386.584 3.197 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000073677224 1409864019 /nfs/dbraw/zinc/86/40/19/1409864019.db2.gz PKBKRSOMYIZXOM-IRLDBZIGSA-N 2 0 386.584 3.414 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000073722100 1409864830 /nfs/dbraw/zinc/86/48/30/1409864830.db2.gz IFLDEXKAFDSPLK-IBGZPJMESA-N 2 0 386.584 3.197 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000073981033 1409868048 /nfs/dbraw/zinc/86/80/48/1409868048.db2.gz DVPYZLUPUNHYJL-RBUKOAKNSA-N 2 0 376.545 3.241 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000074272947 1409870680 /nfs/dbraw/zinc/87/06/80/1409870680.db2.gz GAXZXSRVWDEXOE-UHFFFAOYSA-N 2 0 380.536 3.212 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000074678862 1409875360 /nfs/dbraw/zinc/87/53/60/1409875360.db2.gz FESPYMPDNBEJKB-GOSISDBHSA-N 2 0 377.598 3.403 20 0 GGADRP Cc1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c(C[NH+](C)C)c1 ZINC000074677817 1409875424 /nfs/dbraw/zinc/87/54/24/1409875424.db2.gz RYMMIHMHKGKKLQ-UHFFFAOYSA-N 2 0 380.536 3.056 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074847149 1409877137 /nfs/dbraw/zinc/87/71/37/1409877137.db2.gz DAAQYQYPDPWZJE-QFIPXVFZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074891287 1409878730 /nfs/dbraw/zinc/87/87/30/1409878730.db2.gz JEPAYFNYGPWJCX-ICSRJNTNSA-N 2 0 386.584 3.489 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)N1CC[NH+](C)CC1 ZINC000075762929 1409883357 /nfs/dbraw/zinc/88/33/57/1409883357.db2.gz SRGMULYBSSTJCM-QFIPXVFZSA-N 2 0 382.552 3.022 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000076019887 1409884352 /nfs/dbraw/zinc/88/43/52/1409884352.db2.gz PSPDBBHEQYCKTN-UHFFFAOYSA-N 2 0 377.532 3.461 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000076776446 1409891390 /nfs/dbraw/zinc/89/13/90/1409891390.db2.gz JZAAJULZJFGHMD-GOSISDBHSA-N 2 0 375.557 3.316 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(C)C ZINC000077201849 1409894453 /nfs/dbraw/zinc/89/44/53/1409894453.db2.gz PZPABRJMSZDVFU-SFHVURJKSA-N 2 0 376.545 3.354 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(C)C ZINC000077201848 1409894556 /nfs/dbraw/zinc/89/45/56/1409894556.db2.gz PZPABRJMSZDVFU-GOSISDBHSA-N 2 0 376.545 3.354 20 0 GGADRP CCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000077202169 1409894676 /nfs/dbraw/zinc/89/46/76/1409894676.db2.gz LEBQFWLSNSJJLB-SFHVURJKSA-N 2 0 376.545 3.274 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000077201979 1409894741 /nfs/dbraw/zinc/89/47/41/1409894741.db2.gz AAYIGTREDTWOSV-IBGZPJMESA-N 2 0 376.545 3.354 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000077753515 1409899335 /nfs/dbraw/zinc/89/93/35/1409899335.db2.gz IJBLTGYMBUQGKY-ZDUSSCGKSA-N 2 0 375.344 3.189 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000077763930 1409899876 /nfs/dbraw/zinc/89/98/76/1409899876.db2.gz ZSAZQKXPCPYVFB-QFIPXVFZSA-N 2 0 384.568 3.298 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077827841 1409903045 /nfs/dbraw/zinc/90/30/45/1409903045.db2.gz GZDMFWJAHPZMKR-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP COc1ccc2ccccc2c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000078459652 1409919002 /nfs/dbraw/zinc/91/90/02/1409919002.db2.gz QMFKPULUYNEVFQ-UHFFFAOYSA-N 2 0 376.504 3.285 20 0 GGADRP CC(C)(CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000078535820 1409923577 /nfs/dbraw/zinc/92/35/77/1409923577.db2.gz MESCUOBJSXKFSZ-UHFFFAOYSA-N 2 0 386.584 3.257 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000078545990 1409925025 /nfs/dbraw/zinc/92/50/25/1409925025.db2.gz LYHYMSABSVGOSM-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000078611481 1409929936 /nfs/dbraw/zinc/92/99/36/1409929936.db2.gz FCODQFQJESUMSZ-GOSISDBHSA-N 2 0 376.545 3.131 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000078668233 1409932130 /nfs/dbraw/zinc/93/21/30/1409932130.db2.gz MWVWRDDXABDLKU-PMACEKPBSA-N 2 0 386.584 3.256 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000078714509 1409933112 /nfs/dbraw/zinc/93/31/12/1409933112.db2.gz QEKKYRFRHFWYEB-RXVVDRJESA-N 2 0 375.557 3.459 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079168969 1409961383 /nfs/dbraw/zinc/96/13/83/1409961383.db2.gz PTLQFRRAPKZUFZ-IBGZPJMESA-N 2 0 384.568 3.202 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000079204569 1409962584 /nfs/dbraw/zinc/96/25/84/1409962584.db2.gz JUSCBGLZEUGMNO-OALUTQOASA-N 2 0 376.545 3.370 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000079227904 1409963281 /nfs/dbraw/zinc/96/32/81/1409963281.db2.gz CFCPBEQFBOSDLA-HXUWFJFHSA-N 2 0 378.536 3.240 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000079224304 1409963516 /nfs/dbraw/zinc/96/35/16/1409963516.db2.gz RDDGTIOGSQJXHD-ROUUACIJSA-N 2 0 378.586 3.449 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079256948 1409963729 /nfs/dbraw/zinc/96/37/29/1409963729.db2.gz PAAHGOOYIYTLNS-VXKWHMMOSA-N 2 0 384.568 3.093 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000079227901 1409964281 /nfs/dbraw/zinc/96/42/81/1409964281.db2.gz CFCPBEQFBOSDLA-FQEVSTJZSA-N 2 0 378.536 3.240 20 0 GGADRP C[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000079309568 1409967676 /nfs/dbraw/zinc/96/76/76/1409967676.db2.gz QCGUNWHEIJZREE-ZWKOTPCHSA-N 2 0 390.547 3.019 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000079653472 1409985795 /nfs/dbraw/zinc/98/57/95/1409985795.db2.gz ACWSIEGMYOSOAJ-PXNSSMCTSA-N 2 0 378.536 3.240 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080057102 1409999797 /nfs/dbraw/zinc/99/97/97/1409999797.db2.gz FQRYZYBTJVEZAW-ATKRNPRHSA-N 2 0 384.568 3.357 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000080073007 1410000205 /nfs/dbraw/zinc/00/02/05/1410000205.db2.gz BYPKTMQDZLOLPV-CTWPCTMYSA-N 2 0 378.586 3.447 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000080073034 1410000620 /nfs/dbraw/zinc/00/06/20/1410000620.db2.gz YGKNGYFZTGYPMD-LJQANCHMSA-N 2 0 380.602 3.408 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080146311 1410001224 /nfs/dbraw/zinc/00/12/24/1410001224.db2.gz NFKMYZMIYGFJQG-HMXCVIKNSA-N 2 0 384.568 3.356 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080164733 1410001666 /nfs/dbraw/zinc/00/16/66/1410001666.db2.gz JUFRSZWTPYNDDX-UGKGYDQZSA-N 2 0 386.584 3.413 20 0 GGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000080204805 1410003448 /nfs/dbraw/zinc/00/34/48/1410003448.db2.gz DAUJQAORAUTHDB-CBNMVNINSA-N 2 0 376.589 3.443 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000080645684 1410008857 /nfs/dbraw/zinc/00/88/57/1410008857.db2.gz SUUHKEKPJNSDMB-MOPGFXCFSA-N 2 0 375.557 3.075 20 0 GGADRP C[N@H+](CCNC(=O)C1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000081156140 1410015348 /nfs/dbraw/zinc/01/53/48/1410015348.db2.gz HNFVPMDUKFGLLM-UHFFFAOYSA-N 2 0 379.548 3.189 20 0 GGADRP CCC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000081288193 1410016924 /nfs/dbraw/zinc/01/69/24/1410016924.db2.gz LRCFJSDFYPMGKP-UHFFFAOYSA-N 2 0 378.948 3.152 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000081331642 1410017634 /nfs/dbraw/zinc/01/76/34/1410017634.db2.gz KKTHQIRFUUTJSM-IBGZPJMESA-N 2 0 375.582 3.039 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000081333733 1410017970 /nfs/dbraw/zinc/01/79/70/1410017970.db2.gz AHSHVLMUEYJLDV-VQTJNVASSA-N 2 0 375.532 3.228 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000081361706 1410018230 /nfs/dbraw/zinc/01/82/30/1410018230.db2.gz URGGJSWYLZYNIF-HXUWFJFHSA-N 2 0 386.584 3.021 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000081444251 1410019693 /nfs/dbraw/zinc/01/96/93/1410019693.db2.gz ARATVGKYVHIBIH-LJQANCHMSA-N 2 0 377.598 3.184 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000081995897 1410026460 /nfs/dbraw/zinc/02/64/60/1410026460.db2.gz UYVBRJOJXFWJCP-UHFFFAOYSA-N 2 0 375.557 3.148 20 0 GGADRP CC[NH+](CC)CCS[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000083092931 1410027395 /nfs/dbraw/zinc/02/73/95/1410027395.db2.gz MNZPRKRSJFIQFX-GOSISDBHSA-N 2 0 377.598 3.231 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000085359189 1410039690 /nfs/dbraw/zinc/03/96/90/1410039690.db2.gz MDTKCECJKUJWSC-INIZCTEOSA-N 2 0 378.536 3.066 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085389934 1410040927 /nfs/dbraw/zinc/04/09/27/1410040927.db2.gz ZTVFPEXFNHJMDL-SIKLNZKXSA-N 2 0 386.584 3.400 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000089139719 1410052281 /nfs/dbraw/zinc/05/22/81/1410052281.db2.gz OFEKQSRZRNSZFE-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2ccccc2n1 ZINC000090038637 1410061245 /nfs/dbraw/zinc/06/12/45/1410061245.db2.gz QIXRERHKSOSHNO-QGZVFWFLSA-N 2 0 376.504 3.377 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000090028545 1410061386 /nfs/dbraw/zinc/06/13/86/1410061386.db2.gz WWNOQTXQTKJUKU-QHCPKHFHSA-N 2 0 377.532 3.159 20 0 GGADRP Cc1cccc(C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CC2)c1 ZINC000090038866 1410061454 /nfs/dbraw/zinc/06/14/54/1410061454.db2.gz VANKBVMJUGPNDN-QHCPKHFHSA-N 2 0 379.548 3.397 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000090234074 1410063750 /nfs/dbraw/zinc/06/37/50/1410063750.db2.gz LWLNBCJXNNEANW-LVCYWYKZSA-N 2 0 375.557 3.363 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090234229 1410064148 /nfs/dbraw/zinc/06/41/48/1410064148.db2.gz RKRIUWUNYRGNGY-ROUUACIJSA-N 2 0 375.557 3.363 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)N1CC[NH+](C)CC1 ZINC000091283346 1410072501 /nfs/dbraw/zinc/07/25/01/1410072501.db2.gz RRKMZQQHAQPHEJ-DNVCBOLYSA-N 2 0 377.964 3.149 20 0 GGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(OC)cc3)C3CC3)cn2)CC1 ZINC000091286987 1410072537 /nfs/dbraw/zinc/07/25/37/1410072537.db2.gz QMRBWCJCNXPXOV-HSZRJFAPSA-N 2 0 380.536 3.473 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091320762 1410072813 /nfs/dbraw/zinc/07/28/13/1410072813.db2.gz UMFBMKOCBCJCNJ-HOTGVXAUSA-N 2 0 377.964 3.151 20 0 GGADRP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)nc3ccccc32)C1 ZINC000091482888 1410074349 /nfs/dbraw/zinc/07/43/49/1410074349.db2.gz ZJPSHKASOFWFHJ-ROUUACIJSA-N 2 0 382.556 3.137 20 0 GGADRP Cc1cc(C)n(CCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000092355359 1410142419 /nfs/dbraw/zinc/14/24/19/1410142419.db2.gz PRBKPHOOGNPGMZ-UHFFFAOYSA-N 2 0 375.948 3.085 20 0 GGADRP Cc1nccn1CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092396587 1410149540 /nfs/dbraw/zinc/14/95/40/1410149540.db2.gz VDDBKRCFVLDXLU-UHFFFAOYSA-N 2 0 375.948 3.167 20 0 GGADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416309 1410155438 /nfs/dbraw/zinc/15/54/38/1410155438.db2.gz KFVZMQRHIXBYHE-DNVCBOLYSA-N 2 0 377.916 3.287 20 0 GGADRP COc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426412 1410156774 /nfs/dbraw/zinc/15/67/74/1410156774.db2.gz OIXHXTRKQXUZRX-UHFFFAOYSA-N 2 0 395.975 3.265 20 0 GGADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000092426767 1410157098 /nfs/dbraw/zinc/15/70/98/1410157098.db2.gz BWUZLOJYHRFESW-QFBILLFUSA-N 2 0 375.557 3.319 20 0 GGADRP CC[N@H+](CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000092488870 1410162540 /nfs/dbraw/zinc/16/25/40/1410162540.db2.gz DAFDASSHYXMSQA-UHFFFAOYSA-N 2 0 375.561 3.060 20 0 GGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587316 1410176277 /nfs/dbraw/zinc/17/62/77/1410176277.db2.gz XCQACOQSEWLDCH-IAGOWNOFSA-N 2 0 392.540 3.034 20 0 GGADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1OC ZINC000092587441 1410176324 /nfs/dbraw/zinc/17/63/24/1410176324.db2.gz OSOSSDGQKRQWKN-IAGOWNOFSA-N 2 0 392.540 3.034 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000092587577 1410176695 /nfs/dbraw/zinc/17/66/95/1410176695.db2.gz PAHHBNJSLBLVBT-HDICACEKSA-N 2 0 386.515 3.333 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1OC ZINC000092587135 1410176979 /nfs/dbraw/zinc/17/69/79/1410176979.db2.gz PKSYCKCNXPPZTF-CALCHBBNSA-N 2 0 392.540 3.034 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587565 1410177180 /nfs/dbraw/zinc/17/71/80/1410177180.db2.gz PDGCIOQZTQECJA-HDICACEKSA-N 2 0 398.551 3.407 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000092615788 1410180027 /nfs/dbraw/zinc/18/00/27/1410180027.db2.gz SRJVRZRRNQUXDX-UHFFFAOYSA-N 2 0 389.927 3.490 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645160 1410181910 /nfs/dbraw/zinc/18/19/10/1410181910.db2.gz XDWMNNGHTPFKDJ-UHFFFAOYSA-N 2 0 396.579 3.161 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092662624 1410183900 /nfs/dbraw/zinc/18/39/00/1410183900.db2.gz HPTLHLMRQKAPPR-QHCPKHFHSA-N 2 0 388.552 3.321 20 0 GGADRP CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092708037 1410191332 /nfs/dbraw/zinc/19/13/32/1410191332.db2.gz LFJRYGWAYNMIQC-OAQYLSRUSA-N 2 0 387.568 3.290 20 0 GGADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092730421 1410193927 /nfs/dbraw/zinc/19/39/27/1410193927.db2.gz GGASRRNYCJHPCS-ICSRJNTNSA-N 2 0 375.557 3.144 20 0 GGADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092730419 1410193952 /nfs/dbraw/zinc/19/39/52/1410193952.db2.gz GGASRRNYCJHPCS-QUCCMNQESA-N 2 0 375.557 3.144 20 0 GGADRP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820876 1410203401 /nfs/dbraw/zinc/20/34/01/1410203401.db2.gz VTVFJLMLRLKOTJ-QFIPXVFZSA-N 2 0 380.536 3.449 20 0 GGADRP Cc1cccc(CNC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821368 1410204039 /nfs/dbraw/zinc/20/40/39/1410204039.db2.gz ZHQBNKKOIFGGSX-UHFFFAOYSA-N 2 0 380.536 3.245 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Oc4cccnc4)c(C)c3)C2)CC1 ZINC000093133107 1410224033 /nfs/dbraw/zinc/22/40/33/1410224033.db2.gz FDWYTKLUZCJUDR-NRFANRHFSA-N 2 0 380.536 3.394 20 0 GGADRP CCCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093132967 1410224101 /nfs/dbraw/zinc/22/41/01/1410224101.db2.gz DUMIUOFLTIWBRS-HXUWFJFHSA-N 2 0 375.557 3.086 20 0 GGADRP O=C1CCCCN1CC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093532328 1410250158 /nfs/dbraw/zinc/25/01/58/1410250158.db2.gz RSGYDHNFIOAULZ-UHFFFAOYSA-N 2 0 399.579 3.386 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000093688661 1410259850 /nfs/dbraw/zinc/25/98/50/1410259850.db2.gz UMOWLWUMARUGLU-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093769422 1410265474 /nfs/dbraw/zinc/26/54/74/1410265474.db2.gz KPNWPDBJPRXLOD-UHFFFAOYSA-N 2 0 385.556 3.053 20 0 GGADRP CN(c1ccccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000093766564 1410265637 /nfs/dbraw/zinc/26/56/37/1410265637.db2.gz TUKJKPZDBPIHKY-HXUWFJFHSA-N 2 0 399.501 3.352 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@@H](C)O1 ZINC000093844420 1410274472 /nfs/dbraw/zinc/27/44/72/1410274472.db2.gz XEFANQODLGVPBT-RTBURBONSA-N 2 0 397.567 3.193 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844269 1410274547 /nfs/dbraw/zinc/27/45/47/1410274547.db2.gz OLQLCEKPLRIFNF-OALUTQOASA-N 2 0 397.567 3.193 20 0 GGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844371 1410275058 /nfs/dbraw/zinc/27/50/58/1410275058.db2.gz SFGFWESNXLPDJP-ROUUACIJSA-N 2 0 376.541 3.415 20 0 GGADRP Cc1cc(C)n2c(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cnc2n1 ZINC000093844324 1410275306 /nfs/dbraw/zinc/27/53/06/1410275306.db2.gz LOQMEXAYWLZGNG-OALUTQOASA-N 2 0 385.556 3.057 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1N(C)C ZINC000093944915 1410288937 /nfs/dbraw/zinc/28/89/37/1410288937.db2.gz IUSGZDIQJOFJTQ-NQIIRXRSSA-N 2 0 394.563 3.301 20 0 GGADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627909 1410335122 /nfs/dbraw/zinc/33/51/22/1410335122.db2.gz KPLQFZSDJZBFLF-OAQYLSRUSA-N 2 0 392.547 3.289 20 0 GGADRP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC(C)(C)[NH2+]1 ZINC000096626718 1410335247 /nfs/dbraw/zinc/33/52/47/1410335247.db2.gz AILCVMKVUDUFOE-QGZVFWFLSA-N 2 0 375.532 3.463 20 0 GGADRP Cc1cnc(NC[C@H](c2ccco2)[NH+](C)C)nc1NC[C@H](c1ccco1)[NH+](C)C ZINC000176813033 1428476218 /nfs/dbraw/zinc/47/62/18/1428476218.db2.gz VIAACACQJGCTDN-IAGOWNOFSA-N 2 0 398.511 3.401 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000097357167 1410366019 /nfs/dbraw/zinc/36/60/19/1410366019.db2.gz RCHJRBHKETWSBC-WIYYLYMNSA-N 2 0 388.556 3.006 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000097357748 1410366221 /nfs/dbraw/zinc/36/62/21/1410366221.db2.gz KEQDYZGGIQGCEU-XZOQPEGZSA-N 2 0 394.563 3.296 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337198 1410366288 /nfs/dbraw/zinc/36/62/88/1410366288.db2.gz VJONCTFWQRWGNJ-YADHBBJMSA-N 2 0 380.536 3.426 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000097395156 1410368688 /nfs/dbraw/zinc/36/86/88/1410368688.db2.gz AQZSZWMHTZMWCK-KCZVDYSFSA-N 2 0 388.600 3.217 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000098030333 1410397795 /nfs/dbraw/zinc/39/77/95/1410397795.db2.gz CTBOBKKOLOMHEL-QZTJIDSGSA-N 2 0 376.545 3.006 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000101661380 1410487626 /nfs/dbraw/zinc/48/76/26/1410487626.db2.gz IWRQDYHMZQEHMP-OTWHNJEPSA-N 2 0 387.568 3.285 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000101749207 1410498584 /nfs/dbraw/zinc/49/85/84/1410498584.db2.gz KDJMICAOQHGAOK-JOCHJYFZSA-N 2 0 386.584 3.068 20 0 GGADRP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000101977032 1410534798 /nfs/dbraw/zinc/53/47/98/1410534798.db2.gz BFWVNURIUXEMSL-UHFFFAOYSA-N 2 0 378.948 3.088 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+]2CCCC2)o1 ZINC000102037199 1410548326 /nfs/dbraw/zinc/54/83/26/1410548326.db2.gz NYMWNUHVTKTOAL-IBGZPJMESA-N 2 0 376.545 3.098 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176848616 1428499541 /nfs/dbraw/zinc/49/95/41/1428499541.db2.gz NQQUOHDYKFKVIF-JOCHJYFZSA-N 2 0 387.568 3.048 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000102542342 1410647229 /nfs/dbraw/zinc/64/72/29/1410647229.db2.gz VJQBVAMOZCQMGP-UHFFFAOYSA-N 2 0 392.887 3.235 20 0 GGADRP COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000102541805 1410648379 /nfs/dbraw/zinc/64/83/79/1410648379.db2.gz GOSPLQZKPQOOFS-UHFFFAOYSA-N 2 0 383.536 3.001 20 0 GGADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000102542953 1410648411 /nfs/dbraw/zinc/64/84/11/1410648411.db2.gz IBBURQLIKYAKCQ-UHFFFAOYSA-N 2 0 389.975 3.178 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176884357 1428511525 /nfs/dbraw/zinc/51/15/25/1428511525.db2.gz FDQGWRQAWCWCDX-UHFFFAOYSA-N 2 0 398.551 3.060 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000103126121 1410829796 /nfs/dbraw/zinc/82/97/96/1410829796.db2.gz FSUIFHSYVFEYBC-UHFFFAOYSA-N 2 0 392.503 3.192 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000103143178 1410831513 /nfs/dbraw/zinc/83/15/13/1410831513.db2.gz YKOWOATVZYCHEL-UHFFFAOYSA-N 2 0 383.511 3.286 20 0 GGADRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000103173658 1410834090 /nfs/dbraw/zinc/83/40/90/1410834090.db2.gz JQRNKRCQQNCFAN-FQEVSTJZSA-N 2 0 375.520 3.136 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000103246719 1410840354 /nfs/dbraw/zinc/84/03/54/1410840354.db2.gz LNNIVBHAPHZZSI-OAQYLSRUSA-N 2 0 398.551 3.498 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000103291048 1410842921 /nfs/dbraw/zinc/84/29/21/1410842921.db2.gz DVXKLQSLDRZQDD-LJQANCHMSA-N 2 0 390.597 3.131 20 0 GGADRP CC(C)(CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000103298454 1410843855 /nfs/dbraw/zinc/84/38/55/1410843855.db2.gz GAUAQTMSXURMML-OAQYLSRUSA-N 2 0 386.584 3.115 20 0 GGADRP C[NH+]1CCC(CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000103300667 1410844451 /nfs/dbraw/zinc/84/44/51/1410844451.db2.gz BTTDYWHGZKCELN-UHFFFAOYSA-N 2 0 392.975 3.336 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000103303353 1410844736 /nfs/dbraw/zinc/84/47/36/1410844736.db2.gz BTIDFWBSHDPNCK-IBGZPJMESA-N 2 0 386.584 3.450 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103312831 1410846191 /nfs/dbraw/zinc/84/61/91/1410846191.db2.gz ACUMWFCIWCCOOZ-OAQYLSRUSA-N 2 0 386.584 3.115 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000103312852 1410846227 /nfs/dbraw/zinc/84/62/27/1410846227.db2.gz WWZALAPIFWFERU-HXUWFJFHSA-N 2 0 378.605 3.404 20 0 GGADRP CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000103462099 1410859912 /nfs/dbraw/zinc/85/99/12/1410859912.db2.gz JGYXEACGNJXJAK-SFHVURJKSA-N 2 0 396.649 3.458 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103508418 1410864846 /nfs/dbraw/zinc/86/48/46/1410864846.db2.gz XELRBGSTUHJYBX-OAQYLSRUSA-N 2 0 390.572 3.061 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103510132 1410865169 /nfs/dbraw/zinc/86/51/69/1410865169.db2.gz RCWWNGZBUXTUIQ-UHFFFAOYSA-N 2 0 386.584 3.402 20 0 GGADRP COCCN(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000104978675 1411007498 /nfs/dbraw/zinc/00/74/98/1411007498.db2.gz MVMKGXZUUJDVSL-UHFFFAOYSA-N 2 0 390.572 3.493 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000105083023 1411025954 /nfs/dbraw/zinc/02/59/54/1411025954.db2.gz MOCVYDMZNVDLIA-PMACEKPBSA-N 2 0 376.520 3.088 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000105093658 1411027692 /nfs/dbraw/zinc/02/76/92/1411027692.db2.gz LPYYALMGBXXEFG-LJQANCHMSA-N 2 0 378.948 3.040 20 0 GGADRP C[NH+]1CCC(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000105123418 1411031411 /nfs/dbraw/zinc/03/14/11/1411031411.db2.gz YUWUOKNYFPLKLY-LJQANCHMSA-N 2 0 378.948 3.118 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105121836 1411031652 /nfs/dbraw/zinc/03/16/52/1411031652.db2.gz LJLBGCQIXDHSEZ-RTBURBONSA-N 2 0 386.584 3.306 20 0 GGADRP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000105131628 1411032466 /nfs/dbraw/zinc/03/24/66/1411032466.db2.gz BWOQFEUDCGEUSS-OAHLLOKOSA-N 2 0 398.498 3.016 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105135211 1411033357 /nfs/dbraw/zinc/03/33/57/1411033357.db2.gz VARPKKFCXRSMPM-QHAWAJNXSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000105161611 1411037143 /nfs/dbraw/zinc/03/71/43/1411037143.db2.gz GOYSCXLBTHKHCH-NRFANRHFSA-N 2 0 390.547 3.210 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000105165730 1411037969 /nfs/dbraw/zinc/03/79/69/1411037969.db2.gz PGPDXNQSVYDVJJ-PXNSSMCTSA-N 2 0 388.556 3.004 20 0 GGADRP CC(C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000105208260 1411042128 /nfs/dbraw/zinc/04/21/28/1411042128.db2.gz WUMIABVSTDEEPE-HXUWFJFHSA-N 2 0 392.613 3.380 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCC2)o1 ZINC000105222169 1411043794 /nfs/dbraw/zinc/04/37/94/1411043794.db2.gz INGFAFUYOPSFIR-RBUKOAKNSA-N 2 0 376.545 3.145 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273543 1411048746 /nfs/dbraw/zinc/04/87/46/1411048746.db2.gz RKEZGPVOZBSJII-SFHVURJKSA-N 2 0 396.526 3.158 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000105275683 1411049408 /nfs/dbraw/zinc/04/94/08/1411049408.db2.gz AYHNTBISZODVRZ-GOSISDBHSA-N 2 0 376.545 3.006 20 0 GGADRP CCOc1cc2[nH+]ccc(NC[C@H](C)N3CC[NH+](CC)CC3)c2cc1OCC ZINC000105340572 1411056103 /nfs/dbraw/zinc/05/61/03/1411056103.db2.gz ZFAMAXRZMYHEDS-KRWDZBQOSA-N 2 0 386.540 3.470 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105441781 1411066405 /nfs/dbraw/zinc/06/64/05/1411066405.db2.gz UPEXISLEIPCTEW-FQEVSTJZSA-N 2 0 382.552 3.024 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000105440754 1411066728 /nfs/dbraw/zinc/06/67/28/1411066728.db2.gz MTVYFFSMBQXRRA-INIZCTEOSA-N 2 0 383.964 3.111 20 0 GGADRP COc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000105439821 1411066860 /nfs/dbraw/zinc/06/68/60/1411066860.db2.gz ZZIUODRYSQVTKS-LJQANCHMSA-N 2 0 397.563 3.344 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000105439856 1411066873 /nfs/dbraw/zinc/06/68/73/1411066873.db2.gz MJKCPSVHGODELE-MRXNPFEDSA-N 2 0 389.975 3.116 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000105440751 1411066907 /nfs/dbraw/zinc/06/69/07/1411066907.db2.gz MTVYFFSMBQXRRA-MRXNPFEDSA-N 2 0 383.964 3.111 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000105442102 1411067720 /nfs/dbraw/zinc/06/77/20/1411067720.db2.gz IRQXXKCTIJPRDH-KRWDZBQOSA-N 2 0 389.975 3.197 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000105457282 1411068110 /nfs/dbraw/zinc/06/81/10/1411068110.db2.gz CQIUUHUUZHSSND-SFHVURJKSA-N 2 0 398.551 3.458 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000105457279 1411068395 /nfs/dbraw/zinc/06/83/95/1411068395.db2.gz CQIUUHUUZHSSND-GOSISDBHSA-N 2 0 398.551 3.458 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cc2)c1 ZINC000105464932 1411068565 /nfs/dbraw/zinc/06/85/65/1411068565.db2.gz QIBHEJOBNNVPEB-GOSISDBHSA-N 2 0 399.535 3.222 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000105465851 1411068585 /nfs/dbraw/zinc/06/85/85/1411068585.db2.gz RPEXQSVKUVBSOR-KRWDZBQOSA-N 2 0 388.943 3.040 20 0 GGADRP COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000105463069 1411068705 /nfs/dbraw/zinc/06/87/05/1411068705.db2.gz QUKIPUQGWJLISB-INIZCTEOSA-N 2 0 387.499 3.446 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2)c1 ZINC000105464931 1411068842 /nfs/dbraw/zinc/06/88/42/1411068842.db2.gz QIBHEJOBNNVPEB-SFHVURJKSA-N 2 0 399.535 3.222 20 0 GGADRP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000105465984 1411069044 /nfs/dbraw/zinc/06/90/44/1411069044.db2.gz SSOLRKSQKXWSLE-FQEVSTJZSA-N 2 0 382.552 3.003 20 0 GGADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000105466844 1411069593 /nfs/dbraw/zinc/06/95/93/1411069593.db2.gz YQOVJWFZRNBAEQ-KRWDZBQOSA-N 2 0 389.975 3.176 20 0 GGADRP CCOc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000105467624 1411070045 /nfs/dbraw/zinc/07/00/45/1411070045.db2.gz YKMVJDHTEGPWGQ-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000105476538 1411070695 /nfs/dbraw/zinc/07/06/95/1411070695.db2.gz ZITUPOOXXOUMCY-UHFFFAOYSA-N 2 0 395.473 3.008 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000105476747 1411070921 /nfs/dbraw/zinc/07/09/21/1411070921.db2.gz MTFGNYUGTHVHCB-UHFFFAOYSA-N 2 0 377.536 3.143 20 0 GGADRP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)c1)O[C@H](C)C2 ZINC000105495340 1411072052 /nfs/dbraw/zinc/07/20/52/1411072052.db2.gz JPBPKPVJOQNTBA-QGZVFWFLSA-N 2 0 396.531 3.265 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccs3)cc2)CC1 ZINC000105495565 1411072206 /nfs/dbraw/zinc/07/22/06/1411072206.db2.gz PSBJANAZDXMZIO-UHFFFAOYSA-N 2 0 382.533 3.385 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000176989106 1428542825 /nfs/dbraw/zinc/54/28/25/1428542825.db2.gz ASPWKCLLRDKUNJ-UHFFFAOYSA-N 2 0 393.938 3.089 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000176989696 1428543050 /nfs/dbraw/zinc/54/30/50/1428543050.db2.gz QOQDRNCPLQQGGV-UHFFFAOYSA-N 2 0 389.975 3.258 20 0 GGADRP COc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000106485586 1411224640 /nfs/dbraw/zinc/22/46/40/1411224640.db2.gz POLYHJSIASAXGD-SFHVURJKSA-N 2 0 383.536 3.096 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518948 1411229497 /nfs/dbraw/zinc/22/94/97/1411229497.db2.gz NHRPCOJZAOJGLB-AEFFLSMTSA-N 2 0 376.570 3.201 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106526881 1411233684 /nfs/dbraw/zinc/23/36/84/1411233684.db2.gz ZADCXGQHDDVRBX-NRFANRHFSA-N 2 0 384.568 3.276 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000106584686 1411256833 /nfs/dbraw/zinc/25/68/33/1411256833.db2.gz ZQZBMLWINBTCFF-LJQANCHMSA-N 2 0 392.975 3.288 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177026430 1428559215 /nfs/dbraw/zinc/55/92/15/1428559215.db2.gz PZKKCJATWDZVKA-HXUWFJFHSA-N 2 0 375.532 3.229 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000107327625 1411360433 /nfs/dbraw/zinc/36/04/33/1411360433.db2.gz RLLSHNZTKDCDBB-NRFANRHFSA-N 2 0 390.572 3.252 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000107327626 1411360582 /nfs/dbraw/zinc/36/05/82/1411360582.db2.gz RLLSHNZTKDCDBB-OAQYLSRUSA-N 2 0 390.572 3.252 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000107385125 1411369514 /nfs/dbraw/zinc/36/95/14/1411369514.db2.gz PHCNQJMXJPDTMV-SFHVURJKSA-N 2 0 376.545 3.261 20 0 GGADRP CC(C)(CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000107696140 1411399353 /nfs/dbraw/zinc/39/93/53/1411399353.db2.gz YECJTFTUTKJYKF-QGZVFWFLSA-N 2 0 378.586 3.449 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700444 1411399725 /nfs/dbraw/zinc/39/97/25/1411399725.db2.gz AIGHAROAJWYMFN-YADHBBJMSA-N 2 0 380.536 3.426 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000108412509 1411494604 /nfs/dbraw/zinc/49/46/04/1411494604.db2.gz GVVCCONSDIDFIE-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP CCCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420691 1411495734 /nfs/dbraw/zinc/49/57/34/1411495734.db2.gz OHVXMUTZMFGNPY-JOCHJYFZSA-N 2 0 395.547 3.463 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cccnc43)c2)C1 ZINC000108420956 1411495796 /nfs/dbraw/zinc/49/57/96/1411495796.db2.gz PPNZRYVODLVIKN-QFIPXVFZSA-N 2 0 388.515 3.222 20 0 GGADRP CCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108421047 1411497245 /nfs/dbraw/zinc/49/72/45/1411497245.db2.gz OJVFOOVUPWQKGS-NRFANRHFSA-N 2 0 381.520 3.072 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000108444400 1411503505 /nfs/dbraw/zinc/50/35/05/1411503505.db2.gz VOGLLKNVTLAHEO-UHFFFAOYSA-N 2 0 378.536 3.021 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000108484854 1411516633 /nfs/dbraw/zinc/51/66/33/1411516633.db2.gz UNIFRGXXGNPGGL-ROUUACIJSA-N 2 0 378.586 3.306 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000108541072 1411533459 /nfs/dbraw/zinc/53/34/59/1411533459.db2.gz FOTUHLZTWYQUPG-VQIMIIECSA-N 2 0 380.964 3.364 20 0 GGADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000108996158 1411657503 /nfs/dbraw/zinc/65/75/03/1411657503.db2.gz MCCHYGSQIDMQNW-FQEVSTJZSA-N 2 0 386.540 3.314 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000109444046 1411765125 /nfs/dbraw/zinc/76/51/25/1411765125.db2.gz XTEZLAOGMPMVBA-SFTDATJTSA-N 2 0 375.557 3.459 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000109900219 1411817245 /nfs/dbraw/zinc/81/72/45/1411817245.db2.gz JZELJPSKTFBSNX-UHFFFAOYSA-N 2 0 394.563 3.079 20 0 GGADRP Cc1ccccc1CNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110909017 1411876475 /nfs/dbraw/zinc/87/64/75/1411876475.db2.gz KHCYRZMLCCTTMT-UHFFFAOYSA-N 2 0 379.548 3.455 20 0 GGADRP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111067398 1411885646 /nfs/dbraw/zinc/88/56/46/1411885646.db2.gz RMBCPAHBAJZFBP-FQEVSTJZSA-N 2 0 375.532 3.420 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000111386839 1411937176 /nfs/dbraw/zinc/93/71/76/1411937176.db2.gz LPETXIZZVHSGQJ-SFHVURJKSA-N 2 0 396.457 3.218 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000111386805 1411938297 /nfs/dbraw/zinc/93/82/97/1411938297.db2.gz KVJNUIQAGFEODU-GOSISDBHSA-N 2 0 394.922 3.300 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000111385208 1411938360 /nfs/dbraw/zinc/93/83/60/1411938360.db2.gz JUUHMSDIDQQZEN-NRFANRHFSA-N 2 0 381.564 3.424 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000111433705 1411952084 /nfs/dbraw/zinc/95/20/84/1411952084.db2.gz SWWGBCYUNHUWNJ-LJQANCHMSA-N 2 0 376.545 3.372 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000111458684 1411963816 /nfs/dbraw/zinc/96/38/16/1411963816.db2.gz SKMJIOUSSUSBOL-UHFFFAOYSA-N 2 0 387.572 3.001 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC000111799699 1412030789 /nfs/dbraw/zinc/03/07/89/1412030789.db2.gz MJLHDGZBVJSWMX-FQEVSTJZSA-N 2 0 388.556 3.004 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000111846016 1412037340 /nfs/dbraw/zinc/03/73/40/1412037340.db2.gz QTSXGNRGFPVAQG-KRWDZBQOSA-N 2 0 378.586 3.132 20 0 GGADRP C[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875336 1412041590 /nfs/dbraw/zinc/04/15/90/1412041590.db2.gz LBCKIIBYOZDJQG-IBGZPJMESA-N 2 0 398.551 3.406 20 0 GGADRP C[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875338 1412041647 /nfs/dbraw/zinc/04/16/47/1412041647.db2.gz LBCKIIBYOZDJQG-LJQANCHMSA-N 2 0 398.551 3.406 20 0 GGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000111881846 1412043134 /nfs/dbraw/zinc/04/31/34/1412043134.db2.gz ONWAVPVXZWPLPR-IWTWPRECSA-N 2 0 396.579 3.498 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112217054 1412094964 /nfs/dbraw/zinc/09/49/64/1412094964.db2.gz IUXXKNXXCVZBPT-UHFFFAOYSA-N 2 0 396.645 3.254 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1Cl ZINC000112542267 1412166111 /nfs/dbraw/zinc/16/61/11/1412166111.db2.gz QMUKCZHXCIBGDJ-OAHLLOKOSA-N 2 0 389.927 3.491 20 0 GGADRP CC(C)OC(=O)N1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000112711465 1412201019 /nfs/dbraw/zinc/20/10/19/1412201019.db2.gz JNMQVRWMPFFLQE-UHFFFAOYSA-N 2 0 389.540 3.260 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000112742908 1412208406 /nfs/dbraw/zinc/20/84/06/1412208406.db2.gz IGEXYISBVSYSRB-IBGZPJMESA-N 2 0 378.948 3.214 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000112751047 1412210806 /nfs/dbraw/zinc/21/08/06/1412210806.db2.gz DXFBZDNSKSCXSM-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220605 1428638151 /nfs/dbraw/zinc/63/81/51/1428638151.db2.gz QFRRFQLFUUEDHE-ROUUACIJSA-N 2 0 381.586 3.100 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113234737 1412279381 /nfs/dbraw/zinc/27/93/81/1412279381.db2.gz CJWLPPUXFXYUNM-FPOVZHCZSA-N 2 0 387.568 3.267 20 0 GGADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000113599507 1412320289 /nfs/dbraw/zinc/32/02/89/1412320289.db2.gz XTPLGMQUFYATJC-HXUWFJFHSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000113997601 1412365469 /nfs/dbraw/zinc/36/54/69/1412365469.db2.gz NSWQNNSXMHFIQH-GOSISDBHSA-N 2 0 399.457 3.354 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000114455484 1412436249 /nfs/dbraw/zinc/43/62/49/1412436249.db2.gz ZGJBONNTDHDLLT-UHFFFAOYSA-N 2 0 381.948 3.030 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000114475570 1412441390 /nfs/dbraw/zinc/44/13/90/1412441390.db2.gz DZCXSPCVEPFPAC-INIZCTEOSA-N 2 0 392.519 3.306 20 0 GGADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000114506458 1412447983 /nfs/dbraw/zinc/44/79/83/1412447983.db2.gz RWTZMZSRRQVEBX-UHFFFAOYSA-N 2 0 391.943 3.080 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604127 1412473266 /nfs/dbraw/zinc/47/32/66/1412473266.db2.gz WPLNQHBZOHTOFG-MSOLQXFVSA-N 2 0 398.473 3.015 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114781905 1412522777 /nfs/dbraw/zinc/52/27/77/1412522777.db2.gz PTZPUIREIMEVLH-QFIPXVFZSA-N 2 0 380.536 3.212 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000114931835 1412551009 /nfs/dbraw/zinc/55/10/09/1412551009.db2.gz RSUDVQOEBFCUCK-UHFFFAOYSA-N 2 0 382.552 3.330 20 0 GGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000115789733 1412789787 /nfs/dbraw/zinc/78/97/87/1412789787.db2.gz MPCSFYSVEUNJAH-SFHVURJKSA-N 2 0 392.975 3.288 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000115790473 1412789956 /nfs/dbraw/zinc/78/99/56/1412789956.db2.gz KJAJVPCMJUDMAU-WIYYLYMNSA-N 2 0 390.572 3.061 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000115819928 1412797892 /nfs/dbraw/zinc/79/78/92/1412797892.db2.gz NKAQROOPDOQBLW-JOCHJYFZSA-N 2 0 386.584 3.402 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2CC1 ZINC000116299227 1412848000 /nfs/dbraw/zinc/84/80/00/1412848000.db2.gz RLKOXORIAMXZPV-HXUWFJFHSA-N 2 0 391.559 3.257 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385495 1412853829 /nfs/dbraw/zinc/85/38/29/1412853829.db2.gz HNTNYJMNLZCZHU-RDPSFJRHSA-N 2 0 396.579 3.412 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116410481 1412856435 /nfs/dbraw/zinc/85/64/35/1412856435.db2.gz GJEWADYHYDGASZ-FQEVSTJZSA-N 2 0 389.588 3.235 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000116434583 1412859603 /nfs/dbraw/zinc/85/96/03/1412859603.db2.gz PRQQROKNYRHBQV-IBGZPJMESA-N 2 0 393.535 3.139 20 0 GGADRP C[N@H+](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)Cc1ccccc1 ZINC000116575893 1412880490 /nfs/dbraw/zinc/88/04/90/1412880490.db2.gz KDHGCDLGLDJERG-UHFFFAOYSA-N 2 0 383.561 3.097 20 0 GGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000177334453 1428695654 /nfs/dbraw/zinc/69/56/54/1428695654.db2.gz WGZCXRWTDSOPQL-UHFFFAOYSA-N 2 0 380.536 3.056 20 0 GGADRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000177351273 1428702004 /nfs/dbraw/zinc/70/20/04/1428702004.db2.gz HWDBQESTTVUASQ-GOSISDBHSA-N 2 0 381.520 3.372 20 0 GGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118759554 1413216448 /nfs/dbraw/zinc/21/64/48/1413216448.db2.gz WQHQZQQIDJUYEG-UHFFFAOYSA-N 2 0 387.568 3.180 20 0 GGADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000118775781 1413218134 /nfs/dbraw/zinc/21/81/34/1413218134.db2.gz UAKFJEUGQMMBJF-UHFFFAOYSA-N 2 0 387.568 3.180 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118798829 1413222905 /nfs/dbraw/zinc/22/29/05/1413222905.db2.gz DGICAEGJGGALMS-SFHVURJKSA-N 2 0 376.545 3.213 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841299 1413242150 /nfs/dbraw/zinc/24/21/50/1413242150.db2.gz WVEDFAOCVIGKNZ-IBGZPJMESA-N 2 0 383.540 3.091 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000119191148 1413371226 /nfs/dbraw/zinc/37/12/26/1413371226.db2.gz LQPLMDLISNSCBR-DJPFJPOOSA-N 2 0 388.556 3.003 20 0 GGADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)CN1CC[NH+](C)CC1 ZINC000119226859 1413381669 /nfs/dbraw/zinc/38/16/69/1413381669.db2.gz WKHJCFIWHKBIEC-LJQANCHMSA-N 2 0 385.527 3.378 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000119290622 1413400680 /nfs/dbraw/zinc/40/06/80/1413400680.db2.gz CGGQWZUJKJJIFU-VQTJNVASSA-N 2 0 375.532 3.132 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000119423645 1413442949 /nfs/dbraw/zinc/44/29/49/1413442949.db2.gz ZDPIYJXBQXIXBA-FCHUYYIVSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C[NH+](C)C ZINC000119424272 1413443039 /nfs/dbraw/zinc/44/30/39/1413443039.db2.gz KJQIWPJSARIZHE-IAGOWNOFSA-N 2 0 380.602 3.236 20 0 GGADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1Br ZINC000119451437 1413451483 /nfs/dbraw/zinc/45/14/83/1413451483.db2.gz OHJVZFJRVIHBSH-UHFFFAOYSA-N 2 0 380.374 3.406 20 0 GGADRP C[C@]1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000119632729 1413509816 /nfs/dbraw/zinc/50/98/16/1413509816.db2.gz BYHVQVWJRFTNLZ-HSZRJFAPSA-N 2 0 384.568 3.311 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000119665974 1413522878 /nfs/dbraw/zinc/52/28/78/1413522878.db2.gz MVPKCFUNKJDGEU-HZPDHXFCSA-N 2 0 380.554 3.246 20 0 GGADRP CNC(=O)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000119797402 1413572779 /nfs/dbraw/zinc/57/27/79/1413572779.db2.gz VZTKVHFVASXCKS-UHFFFAOYSA-N 2 0 381.520 3.057 20 0 GGADRP C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC[NH2+]C1 ZINC000119900020 1413609987 /nfs/dbraw/zinc/60/99/87/1413609987.db2.gz MZIGDHJLMYRUMS-IBGZPJMESA-N 2 0 383.458 3.129 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000119997674 1413647756 /nfs/dbraw/zinc/64/77/56/1413647756.db2.gz JYBNYDUPTFWNBI-UHFFFAOYSA-N 2 0 390.572 3.493 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120024121 1413657783 /nfs/dbraw/zinc/65/77/83/1413657783.db2.gz HUEQEIJAEIFWOR-AWEZNQCLSA-N 2 0 377.529 3.320 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000120025064 1413658007 /nfs/dbraw/zinc/65/80/07/1413658007.db2.gz CHYHDAVQRHSXFQ-AWEZNQCLSA-N 2 0 377.529 3.320 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000120025172 1413658428 /nfs/dbraw/zinc/65/84/28/1413658428.db2.gz CHYHDAVQRHSXFQ-CQSZACIVSA-N 2 0 377.529 3.320 20 0 GGADRP COc1cccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)c1 ZINC000120123032 1413696192 /nfs/dbraw/zinc/69/61/92/1413696192.db2.gz WGGJUHZLQBBYLK-PXNSSMCTSA-N 2 0 390.572 3.108 20 0 GGADRP COc1cccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)c1 ZINC000120123188 1413696351 /nfs/dbraw/zinc/69/63/51/1413696351.db2.gz WGGJUHZLQBBYLK-XLIONFOSSA-N 2 0 390.572 3.108 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000120163359 1413713268 /nfs/dbraw/zinc/71/32/68/1413713268.db2.gz CURWIULCKXINEG-IBGZPJMESA-N 2 0 388.556 3.275 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000120240077 1413746915 /nfs/dbraw/zinc/74/69/15/1413746915.db2.gz MMHWELLBUMCRHV-GHTZIAJQSA-N 2 0 387.568 3.459 20 0 GGADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120301148 1413774554 /nfs/dbraw/zinc/77/45/54/1413774554.db2.gz JTMWAGJYAOHYEP-IFMALSPDSA-N 2 0 393.616 3.286 20 0 GGADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120301006 1413774788 /nfs/dbraw/zinc/77/47/88/1413774788.db2.gz JTMWAGJYAOHYEP-UNMCSNQZSA-N 2 0 393.616 3.286 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120388059 1413807295 /nfs/dbraw/zinc/80/72/95/1413807295.db2.gz QDMRZPHMYJAPCX-MOPGFXCFSA-N 2 0 390.597 3.230 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000120591440 1413850524 /nfs/dbraw/zinc/85/05/24/1413850524.db2.gz DINFTTZEGCPFPO-UHFFFAOYSA-N 2 0 389.975 3.258 20 0 GGADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120602279 1413852658 /nfs/dbraw/zinc/85/26/58/1413852658.db2.gz RYUUVFZBYDLXGF-RDPSFJRHSA-N 2 0 397.563 3.351 20 0 GGADRP CCc1noc(C2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)CC2)n1 ZINC000120639060 1413862699 /nfs/dbraw/zinc/86/26/99/1413862699.db2.gz LCMNLIKXIGFITI-FBPXKMNZSA-N 2 0 398.551 3.405 20 0 GGADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120648891 1413865692 /nfs/dbraw/zinc/86/56/92/1413865692.db2.gz OHVFHYPXGBZEHD-YADHBBJMSA-N 2 0 398.547 3.381 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000120677300 1413872937 /nfs/dbraw/zinc/87/29/37/1413872937.db2.gz CXGVBMDFZZUHSW-UHFFFAOYSA-N 2 0 381.511 3.226 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000120688695 1413875543 /nfs/dbraw/zinc/87/55/43/1413875543.db2.gz WSXXYRULCDAPHU-UHFFFAOYSA-N 2 0 398.526 3.351 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120793744 1413904807 /nfs/dbraw/zinc/90/48/07/1413904807.db2.gz UMNSOZZBGQUBAX-RBUKOAKNSA-N 2 0 389.588 3.094 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000120805295 1413908568 /nfs/dbraw/zinc/90/85/68/1413908568.db2.gz UXNKGGULTDLDCP-UYAOXDASSA-N 2 0 383.584 3.332 20 0 GGADRP Fc1ccc([C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000120834136 1413919806 /nfs/dbraw/zinc/91/98/06/1413919806.db2.gz WBQZRBDSGDQWTF-DEOSSOPVSA-N 2 0 397.538 3.453 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)C[C@H](C)O1 ZINC000177491180 1428766879 /nfs/dbraw/zinc/76/68/79/1428766879.db2.gz LZLRXCRFPUYNDB-KDURUIRLSA-N 2 0 391.600 3.131 20 0 GGADRP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000120953883 1413958564 /nfs/dbraw/zinc/95/85/64/1413958564.db2.gz MIYLQTFXRRUPMI-UHFFFAOYSA-N 2 0 375.520 3.330 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177499343 1428770600 /nfs/dbraw/zinc/77/06/00/1428770600.db2.gz AAKCRAFNEABPKE-KDURUIRLSA-N 2 0 398.551 3.490 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000177503852 1428772634 /nfs/dbraw/zinc/77/26/34/1428772634.db2.gz SDLBTVBRLIURFW-AQNXPRMDSA-N 2 0 387.568 3.075 20 0 GGADRP COC(=O)c1oc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000177504994 1428773919 /nfs/dbraw/zinc/77/39/19/1428773919.db2.gz KBRJUARYWIIMDZ-CALCHBBNSA-N 2 0 378.513 3.086 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121108441 1414010738 /nfs/dbraw/zinc/01/07/38/1414010738.db2.gz LQEDFDYMVNKBBO-IAGOWNOFSA-N 2 0 377.529 3.133 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109836 1414011128 /nfs/dbraw/zinc/01/11/28/1414011128.db2.gz CGBZBNXGCONCCI-IRXDYDNUSA-N 2 0 377.529 3.133 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000121109979 1414011178 /nfs/dbraw/zinc/01/11/78/1414011178.db2.gz FQGHVZHYYVYGKS-ZLNRFVROSA-N 2 0 383.580 3.444 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109507 1414011305 /nfs/dbraw/zinc/01/13/05/1414011305.db2.gz CGBZBNXGCONCCI-SJORKVTESA-N 2 0 377.529 3.133 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000121218656 1414047519 /nfs/dbraw/zinc/04/75/19/1414047519.db2.gz CMDNPSZLKBVAMY-UHFFFAOYSA-N 2 0 387.549 3.032 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)C(C)(C)C[NH+](C)C ZINC000121245553 1414057119 /nfs/dbraw/zinc/05/71/19/1414057119.db2.gz ULEIIMAXIXTQEM-HNNXBMFYSA-N 2 0 384.515 3.014 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000121273090 1414066914 /nfs/dbraw/zinc/06/69/14/1414066914.db2.gz PKKLYIVIOZLJBG-DLBZAZTESA-N 2 0 387.597 3.438 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000121273263 1414066977 /nfs/dbraw/zinc/06/69/77/1414066977.db2.gz PKKLYIVIOZLJBG-IAGOWNOFSA-N 2 0 387.597 3.438 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000121272706 1414067074 /nfs/dbraw/zinc/06/70/74/1414067074.db2.gz PKKLYIVIOZLJBG-IRXDYDNUSA-N 2 0 387.597 3.438 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121273646 1414067755 /nfs/dbraw/zinc/06/77/55/1414067755.db2.gz KINDOYBVZPKCPI-JOCHJYFZSA-N 2 0 384.568 3.311 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280252 1414069541 /nfs/dbraw/zinc/06/95/41/1414069541.db2.gz IGTBFJPPADIKJA-LPHOPBHVSA-N 2 0 387.490 3.256 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280720 1414069879 /nfs/dbraw/zinc/06/98/79/1414069879.db2.gz IGTBFJPPADIKJA-VQIMIIECSA-N 2 0 387.490 3.256 20 0 GGADRP COC(=O)c1oc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000177505018 1428773471 /nfs/dbraw/zinc/77/34/71/1428773471.db2.gz KBRJUARYWIIMDZ-IAGOWNOFSA-N 2 0 378.513 3.086 20 0 GGADRP COC(=O)c1oc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000177505029 1428773599 /nfs/dbraw/zinc/77/35/99/1428773599.db2.gz KBRJUARYWIIMDZ-IRXDYDNUSA-N 2 0 378.513 3.086 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121351829 1414092062 /nfs/dbraw/zinc/09/20/62/1414092062.db2.gz RPMUDZQXNMLXFR-HOTGVXAUSA-N 2 0 383.964 3.281 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000121490447 1414146958 /nfs/dbraw/zinc/14/69/58/1414146958.db2.gz UNXWURKLKFXLSZ-KGLIPLIRSA-N 2 0 378.904 3.497 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121518190 1414159919 /nfs/dbraw/zinc/15/99/19/1414159919.db2.gz KFSMXHAOULZOSV-IBGZPJMESA-N 2 0 379.495 3.168 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121831156 1414271774 /nfs/dbraw/zinc/27/17/74/1414271774.db2.gz ZHOLWKXXMCKVNG-KCZVDYSFSA-N 2 0 398.595 3.270 20 0 GGADRP CN(c1ccccc1C[NH2+]CCOc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000177565316 1428796162 /nfs/dbraw/zinc/79/61/62/1428796162.db2.gz LZPUFWGZWCJQNC-UHFFFAOYSA-N 2 0 397.519 3.114 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)ccn2)CC1 ZINC000121936347 1414313942 /nfs/dbraw/zinc/31/39/42/1414313942.db2.gz MSCAEFKNGGKAPY-QFIPXVFZSA-N 2 0 392.547 3.326 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCc1cc(F)cc(F)c1 ZINC000122039857 1414346120 /nfs/dbraw/zinc/34/61/20/1414346120.db2.gz XTYPISFVOIJAKJ-UHFFFAOYSA-N 2 0 379.495 3.169 20 0 GGADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000122058748 1414351696 /nfs/dbraw/zinc/35/16/96/1414351696.db2.gz LQHYFITUVJUWKE-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000122071878 1414354696 /nfs/dbraw/zinc/35/46/96/1414354696.db2.gz OIQDUGKCINNBCR-QGZVFWFLSA-N 2 0 387.528 3.263 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000122071705 1414355119 /nfs/dbraw/zinc/35/51/19/1414355119.db2.gz OIQDUGKCINNBCR-KRWDZBQOSA-N 2 0 387.528 3.263 20 0 GGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122081541 1414357719 /nfs/dbraw/zinc/35/77/19/1414357719.db2.gz KDSGJSOISNDDKW-JOCHJYFZSA-N 2 0 392.547 3.326 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000122154231 1414375836 /nfs/dbraw/zinc/37/58/36/1414375836.db2.gz PZBYQQYTRDNWRP-RTBURBONSA-N 2 0 377.529 3.162 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000122154418 1414375878 /nfs/dbraw/zinc/37/58/78/1414375878.db2.gz PZBYQQYTRDNWRP-MOPGFXCFSA-N 2 0 377.529 3.162 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000122159293 1414376212 /nfs/dbraw/zinc/37/62/12/1414376212.db2.gz YNAHOCJNOBRTTE-UHFFFAOYSA-N 2 0 387.568 3.036 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000122163364 1414376933 /nfs/dbraw/zinc/37/69/33/1414376933.db2.gz VLKATONIOFRQSZ-VAMGGRTRSA-N 2 0 381.605 3.235 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122253669 1414402077 /nfs/dbraw/zinc/40/20/77/1414402077.db2.gz PXZFTFXGSICZHR-MSOLQXFVSA-N 2 0 377.529 3.162 20 0 GGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000122262127 1414404898 /nfs/dbraw/zinc/40/48/98/1414404898.db2.gz ZYRHZLSYIXWQFX-KRWDZBQOSA-N 2 0 392.590 3.412 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000122336199 1414427041 /nfs/dbraw/zinc/42/70/41/1414427041.db2.gz WZSWHOMWWUPFIX-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000122336391 1414427248 /nfs/dbraw/zinc/42/72/48/1414427248.db2.gz WZSWHOMWWUPFIX-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000122359499 1414433709 /nfs/dbraw/zinc/43/37/09/1414433709.db2.gz HFFNGQWVGQBPJH-HYBUGGRVSA-N 2 0 397.563 3.006 20 0 GGADRP CN(C)c1ccc(N2CCC([NH2+]Cc3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC000122359927 1414434483 /nfs/dbraw/zinc/43/44/83/1414434483.db2.gz JNBSPSNCDUZSFM-UHFFFAOYSA-N 2 0 396.579 3.452 20 0 GGADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000122367611 1414436839 /nfs/dbraw/zinc/43/68/39/1414436839.db2.gz MXXSHUHGECBWNG-QFIPXVFZSA-N 2 0 389.584 3.003 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122876704 1414586977 /nfs/dbraw/zinc/58/69/77/1414586977.db2.gz CFWSCTJTOYKLOX-QUCCMNQESA-N 2 0 390.568 3.462 20 0 GGADRP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122923943 1414598355 /nfs/dbraw/zinc/59/83/55/1414598355.db2.gz UYEHFISFWXFKAE-PXNSSMCTSA-N 2 0 395.588 3.398 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122923714 1414598531 /nfs/dbraw/zinc/59/85/31/1414598531.db2.gz UYEHFISFWXFKAE-YLJYHZDGSA-N 2 0 395.588 3.398 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000122954786 1414604635 /nfs/dbraw/zinc/60/46/35/1414604635.db2.gz LJKDNXMNIAFQAD-MRXNPFEDSA-N 2 0 385.508 3.272 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000123039940 1414625751 /nfs/dbraw/zinc/62/57/51/1414625751.db2.gz GKLKRIJGFPDOIO-KRWDZBQOSA-N 2 0 387.549 3.041 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000123106081 1414642954 /nfs/dbraw/zinc/64/29/54/1414642954.db2.gz KQNRUCVHVVSPPA-OAQYLSRUSA-N 2 0 388.531 3.060 20 0 GGADRP CN(c1ccccc1C[NH2+]CCC(=O)NCc1ccccc1)C1CC[NH+](C)CC1 ZINC000123144551 1414652977 /nfs/dbraw/zinc/65/29/77/1414652977.db2.gz FIKKYAAJXFERAJ-UHFFFAOYSA-N 2 0 394.563 3.013 20 0 GGADRP COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000123164346 1414657681 /nfs/dbraw/zinc/65/76/81/1414657681.db2.gz XTOSCIIUIZORIT-HXUWFJFHSA-N 2 0 395.547 3.319 20 0 GGADRP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000123165355 1414658487 /nfs/dbraw/zinc/65/84/87/1414658487.db2.gz HFUCOPKVBZRBEC-MRXNPFEDSA-N 2 0 377.529 3.085 20 0 GGADRP C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCc2sccc2C1 ZINC000123191188 1414664730 /nfs/dbraw/zinc/66/47/30/1414664730.db2.gz HVVSRUJQTLDFPY-MRXNPFEDSA-N 2 0 386.565 3.056 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123256706 1414680354 /nfs/dbraw/zinc/68/03/54/1414680354.db2.gz PNWVKMXBLRKMQY-HXUWFJFHSA-N 2 0 397.611 3.345 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC3 ZINC000123274486 1414684690 /nfs/dbraw/zinc/68/46/90/1414684690.db2.gz NJRXWDIFKVXFPF-AEFFLSMTSA-N 2 0 383.536 3.124 20 0 GGADRP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000123343221 1414700802 /nfs/dbraw/zinc/70/08/02/1414700802.db2.gz ZXXXOWXDHXRVRD-QHCPKHFHSA-N 2 0 387.568 3.316 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123476384 1414745652 /nfs/dbraw/zinc/74/56/52/1414745652.db2.gz QMMFIIQZDOJIMS-ZWKOTPCHSA-N 2 0 375.557 3.315 20 0 GGADRP CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123504217 1414754985 /nfs/dbraw/zinc/75/49/85/1414754985.db2.gz KSGUUNSJKAPFRL-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000123809152 1414827571 /nfs/dbraw/zinc/82/75/71/1414827571.db2.gz BTHGHZLZGIBUKO-GHTZIAJQSA-N 2 0 387.568 3.459 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940602 1414853796 /nfs/dbraw/zinc/85/37/96/1414853796.db2.gz JJTKFJSRXOWWPR-INIZCTEOSA-N 2 0 375.538 3.361 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000123941335 1414854159 /nfs/dbraw/zinc/85/41/59/1414854159.db2.gz FMNKWZRMHHLURJ-MRXNPFEDSA-N 2 0 390.549 3.401 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000123941121 1414854310 /nfs/dbraw/zinc/85/43/10/1414854310.db2.gz FMNKWZRMHHLURJ-INIZCTEOSA-N 2 0 390.549 3.401 20 0 GGADRP C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000123947444 1414855469 /nfs/dbraw/zinc/85/54/69/1414855469.db2.gz IECCMWUWXQFGSU-PXNSSMCTSA-N 2 0 381.520 3.363 20 0 GGADRP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000123985546 1414863003 /nfs/dbraw/zinc/86/30/03/1414863003.db2.gz WFJSZBAFSUWPBH-FQEVSTJZSA-N 2 0 376.447 3.263 20 0 GGADRP C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000124005045 1414867526 /nfs/dbraw/zinc/86/75/26/1414867526.db2.gz NWIPYOVXDMKQOP-FXAWDEMLSA-N 2 0 381.520 3.363 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000124180743 1414901570 /nfs/dbraw/zinc/90/15/70/1414901570.db2.gz RWCUJGDPGNZQIP-FQEVSTJZSA-N 2 0 389.609 3.333 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124465852 1414974968 /nfs/dbraw/zinc/97/49/68/1414974968.db2.gz UEWXCJKTNUXLEZ-MRXNPFEDSA-N 2 0 387.597 3.438 20 0 GGADRP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000124484234 1414978944 /nfs/dbraw/zinc/97/89/44/1414978944.db2.gz AEZMNIAWQAIABI-GOSISDBHSA-N 2 0 376.545 3.035 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000177769414 1428854162 /nfs/dbraw/zinc/85/41/62/1428854162.db2.gz RIGHSDBBRIGTDI-UHFFFAOYSA-N 2 0 391.519 3.388 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000124610522 1415005644 /nfs/dbraw/zinc/00/56/44/1415005644.db2.gz OPFILKHKEHTSIO-IAGOWNOFSA-N 2 0 381.511 3.115 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000177773163 1428855299 /nfs/dbraw/zinc/85/52/99/1428855299.db2.gz NBWQGUGGWYCYCB-GOSISDBHSA-N 2 0 379.508 3.118 20 0 GGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124643585 1415011833 /nfs/dbraw/zinc/01/18/33/1415011833.db2.gz OLUQCBHVTJUUDP-GBESFXJTSA-N 2 0 375.557 3.032 20 0 GGADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000124682166 1415020501 /nfs/dbraw/zinc/02/05/01/1415020501.db2.gz TZJCDBYLBMRCMS-QRVBRYPASA-N 2 0 390.535 3.470 20 0 GGADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000124724023 1415029638 /nfs/dbraw/zinc/02/96/38/1415029638.db2.gz HFTALSJBELZLOW-FHWLQOOXSA-N 2 0 390.535 3.470 20 0 GGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000125058146 1415101288 /nfs/dbraw/zinc/10/12/88/1415101288.db2.gz QMAAMBFUHSOYEN-UHFFFAOYSA-N 2 0 381.520 3.105 20 0 GGADRP OC[C@H]1c2ccccc2CC[NH+]1CCCCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000177827361 1428866089 /nfs/dbraw/zinc/86/60/89/1428866089.db2.gz JRWCHDQKZBQBPI-DQEYMECFSA-N 2 0 394.559 3.340 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000177849175 1428872143 /nfs/dbraw/zinc/87/21/43/1428872143.db2.gz NJXIMTSLKPHUBB-HXUWFJFHSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000177849327 1428872163 /nfs/dbraw/zinc/87/21/63/1428872163.db2.gz XRZDMVAXRDFOIE-VQTJNVASSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000177849121 1428872254 /nfs/dbraw/zinc/87/22/54/1428872254.db2.gz PXCKYPJOVIDHLP-QFIPXVFZSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000177851108 1428872548 /nfs/dbraw/zinc/87/25/48/1428872548.db2.gz REKAXZCUNUNWDA-XLIONFOSSA-N 2 0 392.975 3.460 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000177871272 1428878748 /nfs/dbraw/zinc/87/87/48/1428878748.db2.gz ZJAFRTJRZMJZHB-JOCHJYFZSA-N 2 0 386.584 3.402 20 0 GGADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000125648179 1415245672 /nfs/dbraw/zinc/24/56/72/1415245672.db2.gz XFEUFJLXPODGHY-UHFFFAOYSA-N 2 0 396.620 3.076 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177888918 1428884364 /nfs/dbraw/zinc/88/43/64/1428884364.db2.gz COSVPOYCSYQBMS-CALCHBBNSA-N 2 0 399.501 3.412 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000125719002 1415261768 /nfs/dbraw/zinc/26/17/68/1415261768.db2.gz VWIAFBFLERIMOY-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753617 1415270911 /nfs/dbraw/zinc/27/09/11/1415270911.db2.gz KLMBXHUBIFCSSX-GOEBONIOSA-N 2 0 381.446 3.412 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)C1 ZINC000125782547 1415279776 /nfs/dbraw/zinc/27/97/76/1415279776.db2.gz QRIPAIRCOJBWFG-KNKQGSTJSA-N 2 0 398.595 3.448 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125791303 1415281447 /nfs/dbraw/zinc/28/14/47/1415281447.db2.gz PNMOXHKRGRJNBY-MOPGFXCFSA-N 2 0 395.613 3.488 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125791916 1415282137 /nfs/dbraw/zinc/28/21/37/1415282137.db2.gz PNMOXHKRGRJNBY-RBUKOAKNSA-N 2 0 395.613 3.488 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000125846543 1415295725 /nfs/dbraw/zinc/29/57/25/1415295725.db2.gz KAFLYWYJTWHSBJ-OAQYLSRUSA-N 2 0 384.524 3.188 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000125898930 1415307739 /nfs/dbraw/zinc/30/77/39/1415307739.db2.gz OPTFKUXWUNTXJW-KURKYZTESA-N 2 0 391.556 3.379 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000125923992 1415314158 /nfs/dbraw/zinc/31/41/58/1415314158.db2.gz AVTWQJBQXNQMQW-JOCHJYFZSA-N 2 0 384.568 3.024 20 0 GGADRP CCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OCC ZINC000126028142 1415339684 /nfs/dbraw/zinc/33/96/84/1415339684.db2.gz OGGGEKOQLLAQIX-UHFFFAOYSA-N 2 0 375.557 3.132 20 0 GGADRP CCOc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC(F)F ZINC000126054543 1415345838 /nfs/dbraw/zinc/34/58/38/1415345838.db2.gz WZBBVANUYZSWBD-UHFFFAOYSA-N 2 0 397.510 3.335 20 0 GGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305146 1415412916 /nfs/dbraw/zinc/41/29/16/1415412916.db2.gz LHPSPELWFKMUPM-KRWDZBQOSA-N 2 0 379.508 3.367 20 0 GGADRP C[N@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCSC1 ZINC000126330423 1415419183 /nfs/dbraw/zinc/41/91/83/1415419183.db2.gz QISSRZXAPBQRSN-FQEVSTJZSA-N 2 0 375.582 3.116 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000126353746 1415424947 /nfs/dbraw/zinc/42/49/47/1415424947.db2.gz SGNKKURIYAXBQM-UHFFFAOYSA-N 2 0 389.547 3.300 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000126359694 1415426749 /nfs/dbraw/zinc/42/67/49/1415426749.db2.gz XZMQJDLWRJZUDO-FQEVSTJZSA-N 2 0 394.563 3.331 20 0 GGADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126394035 1415436155 /nfs/dbraw/zinc/43/61/55/1415436155.db2.gz SUSFOXIJPZUCLH-UHFFFAOYSA-N 2 0 381.520 3.499 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006255 1428930024 /nfs/dbraw/zinc/93/00/24/1428930024.db2.gz NBYBKNZAFUFXNJ-JTSKRJEESA-N 2 0 393.531 3.170 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000126542630 1415484263 /nfs/dbraw/zinc/48/42/63/1415484263.db2.gz OZSYQTVWDPCHOG-QFIPXVFZSA-N 2 0 386.584 3.209 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126678884 1415524500 /nfs/dbraw/zinc/52/45/00/1415524500.db2.gz OWHNETZZGJJUFK-FQEVSTJZSA-N 2 0 397.563 3.310 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000126685812 1415526476 /nfs/dbraw/zinc/52/64/76/1415526476.db2.gz JZILQKCZPBNQQW-SYYKKAFVSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000126692165 1415527912 /nfs/dbraw/zinc/52/79/12/1415527912.db2.gz GWPMCXITKHQIDI-LJQANCHMSA-N 2 0 395.547 3.446 20 0 GGADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CCCO2 ZINC000126692754 1415528263 /nfs/dbraw/zinc/52/82/63/1415528263.db2.gz LMYSXKKUEJJISW-QFIPXVFZSA-N 2 0 389.584 3.003 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000126727543 1415541143 /nfs/dbraw/zinc/54/11/43/1415541143.db2.gz XIVNMNNVGPBXGZ-SFHVURJKSA-N 2 0 384.543 3.490 20 0 GGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036990 1428949530 /nfs/dbraw/zinc/94/95/30/1428949530.db2.gz YDUPXLACUVUTEW-GBESFXJTSA-N 2 0 375.557 3.445 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037185 1428949592 /nfs/dbraw/zinc/94/95/92/1428949592.db2.gz MXFOBEDRJACXNK-KURKYZTESA-N 2 0 375.513 3.183 20 0 GGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126848983 1415583815 /nfs/dbraw/zinc/58/38/15/1415583815.db2.gz JXSCVAJKBJFJQT-MQSCRBSSSA-N 2 0 381.564 3.374 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000127161024 1415675669 /nfs/dbraw/zinc/67/56/69/1415675669.db2.gz WASXMARGVJVSSX-HMXCVIKNSA-N 2 0 376.589 3.155 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000127261974 1415707293 /nfs/dbraw/zinc/70/72/93/1415707293.db2.gz CJFQDKRZTCWAHT-OALUTQOASA-N 2 0 390.572 3.253 20 0 GGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127279836 1415716458 /nfs/dbraw/zinc/71/64/58/1415716458.db2.gz GNSKXLMGGKQJOA-ROUUACIJSA-N 2 0 392.563 3.265 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000127294726 1415723725 /nfs/dbraw/zinc/72/37/25/1415723725.db2.gz JAACZZAIXBEHBS-ZWKOTPCHSA-N 3 0 376.564 3.349 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000127333746 1415741031 /nfs/dbraw/zinc/74/10/31/1415741031.db2.gz RSRPFSYLYDJCGF-JKSUJKDBSA-N 2 0 375.948 3.121 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000127333335 1415741554 /nfs/dbraw/zinc/74/15/54/1415741554.db2.gz RSRPFSYLYDJCGF-HZPDHXFCSA-N 2 0 375.948 3.121 20 0 GGADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000178113072 1428987631 /nfs/dbraw/zinc/98/76/31/1428987631.db2.gz CFBJRTWUOZHBIA-LJQANCHMSA-N 2 0 391.462 3.139 20 0 GGADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000127377764 1415758340 /nfs/dbraw/zinc/75/83/40/1415758340.db2.gz SHHDCWKZOZBBAO-WOJBJXKFSA-N 2 0 379.589 3.035 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178121868 1428990414 /nfs/dbraw/zinc/99/04/14/1428990414.db2.gz BYJOKLXHUVTQCT-OAQYLSRUSA-N 2 0 383.580 3.464 20 0 GGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127413596 1415770606 /nfs/dbraw/zinc/77/06/06/1415770606.db2.gz OYZJLYALJKUNLP-LJQANCHMSA-N 2 0 388.556 3.357 20 0 GGADRP COc1ccc(C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000127478721 1415795268 /nfs/dbraw/zinc/79/52/68/1415795268.db2.gz DQJCVRIWHRNEIE-DVECYGJZSA-N 2 0 397.563 3.213 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000127650946 1415826295 /nfs/dbraw/zinc/82/62/95/1415826295.db2.gz ITYVRFJVFHCNJT-KXBFYZLASA-N 2 0 390.959 3.229 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC000127654095 1415827033 /nfs/dbraw/zinc/82/70/33/1415827033.db2.gz LLKVSTKMEJZPSC-SCCNAQOGSA-N 2 0 376.589 3.346 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178162534 1429003667 /nfs/dbraw/zinc/00/36/67/1429003667.db2.gz XBDYTGQOYDVECR-KRWDZBQOSA-N 2 0 386.540 3.170 20 0 GGADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000178169765 1429005450 /nfs/dbraw/zinc/00/54/50/1429005450.db2.gz RTFFDODIETYZEO-INIZCTEOSA-N 2 0 389.927 3.361 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000127730088 1415840084 /nfs/dbraw/zinc/84/00/84/1415840084.db2.gz ZMFSNGOAQHAKNF-CHWSQXEVSA-N 2 0 393.425 3.176 20 0 GGADRP COc1cc(C[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000127938184 1415878727 /nfs/dbraw/zinc/87/87/27/1415878727.db2.gz HBKKYCDYRUWSLM-OALUTQOASA-N 2 0 399.535 3.258 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127969064 1415885356 /nfs/dbraw/zinc/88/53/56/1415885356.db2.gz CDZYEZWESHVYKM-WIYYLYMNSA-N 2 0 384.568 3.165 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000128005426 1415891640 /nfs/dbraw/zinc/89/16/40/1415891640.db2.gz MFPBNNPFNIAUPN-NQIIRXRSSA-N 2 0 390.572 3.443 20 0 GGADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044778 1415899813 /nfs/dbraw/zinc/89/98/13/1415899813.db2.gz CTLOYWLGTQGYNG-UNMCSNQZSA-N 2 0 383.536 3.477 20 0 GGADRP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000178200423 1429016803 /nfs/dbraw/zinc/01/68/03/1429016803.db2.gz HJWUDVCAJWBRMV-ZDUSSCGKSA-N 2 0 395.425 3.334 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178203035 1429017533 /nfs/dbraw/zinc/01/75/33/1429017533.db2.gz ZQOLETMTJQPWRX-HXUWFJFHSA-N 2 0 387.568 3.288 20 0 GGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(c1ccccc1)c1ccccc1 ZINC000128118208 1415916761 /nfs/dbraw/zinc/91/67/61/1415916761.db2.gz YDAOTJHWJYHDOK-UGKGYDQZSA-N 2 0 379.548 3.384 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCc2ccc(F)cc2)C2CCCC2)CC1 ZINC000128316191 1415961351 /nfs/dbraw/zinc/96/13/51/1415961351.db2.gz WPZOZPFAWTVVSC-UHFFFAOYSA-N 2 0 375.532 3.213 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178230480 1429024472 /nfs/dbraw/zinc/02/44/72/1429024472.db2.gz LPDKZLOEVVUFNB-LJQANCHMSA-N 2 0 382.552 3.337 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)C[C@@H](C)O1 ZINC000178259207 1429035612 /nfs/dbraw/zinc/03/56/12/1429035612.db2.gz SQDXTQVDGRSFTN-RTBURBONSA-N 2 0 387.568 3.100 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCCC1 ZINC000128550506 1416011427 /nfs/dbraw/zinc/01/14/27/1416011427.db2.gz PJUZBQKXDWFXHQ-NRFANRHFSA-N 2 0 381.520 3.324 20 0 GGADRP CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1OC(F)F ZINC000128589140 1416020230 /nfs/dbraw/zinc/02/02/30/1416020230.db2.gz RJILCEBPHYPVQZ-KRWDZBQOSA-N 2 0 385.499 3.048 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](C)CC1 ZINC000128603437 1416023299 /nfs/dbraw/zinc/02/32/99/1416023299.db2.gz JSYSRGHUHYJZAZ-XMMPIXPASA-N 2 0 391.563 3.387 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128694177 1416045115 /nfs/dbraw/zinc/04/51/15/1416045115.db2.gz RTLLHLVBIVLYIU-UHFFFAOYSA-N 2 0 394.563 3.465 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)CC1 ZINC000128932074 1416106769 /nfs/dbraw/zinc/10/67/69/1416106769.db2.gz WGCYOFORJYNPDH-UHFFFAOYSA-N 2 0 391.600 3.181 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccs1 ZINC000129329065 1416191857 /nfs/dbraw/zinc/19/18/57/1416191857.db2.gz YGEIHFFLDPBATJ-MOPGFXCFSA-N 2 0 386.565 3.487 20 0 GGADRP C[NH+]1CCC(NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000178444295 1429078648 /nfs/dbraw/zinc/07/86/48/1429078648.db2.gz CKUPKYOWHOOMPY-UHFFFAOYSA-N 2 0 394.563 3.472 20 0 GGADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1SC(F)(F)F ZINC000129801380 1416265733 /nfs/dbraw/zinc/26/57/33/1416265733.db2.gz IBGHSXWSOCQGKE-UHFFFAOYSA-N 2 0 391.503 3.376 20 0 GGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129957336 1416290844 /nfs/dbraw/zinc/29/08/44/1416290844.db2.gz KZNYZCCDXMKZKU-BDXSIMOUSA-N 2 0 390.547 3.016 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000130011961 1416302147 /nfs/dbraw/zinc/30/21/47/1416302147.db2.gz SCNZYSJAXVXHRC-WIYYLYMNSA-N 2 0 386.584 3.053 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000130012152 1416302383 /nfs/dbraw/zinc/30/23/83/1416302383.db2.gz SCNZYSJAXVXHRC-NQIIRXRSSA-N 2 0 386.584 3.053 20 0 GGADRP C[NH+](C)CC1CCC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000130036273 1416306382 /nfs/dbraw/zinc/30/63/82/1416306382.db2.gz HKKJIXAEPJKZOV-UHFFFAOYSA-N 2 0 375.582 3.086 20 0 GGADRP O=C1C[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000130059908 1416310234 /nfs/dbraw/zinc/31/02/34/1416310234.db2.gz JGULNDGISQLAAY-HXUWFJFHSA-N 2 0 387.499 3.046 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000130100124 1416317903 /nfs/dbraw/zinc/31/79/03/1416317903.db2.gz UAGPMPAUDJHMIR-WRHDZBKDSA-N 2 0 396.579 3.308 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130150222 1416328102 /nfs/dbraw/zinc/32/81/02/1416328102.db2.gz GKOKPPBLNRQMRJ-CVEARBPZSA-N 2 0 377.495 3.324 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000130181330 1416334335 /nfs/dbraw/zinc/33/43/35/1416334335.db2.gz HWGHWQBSEUGJOQ-UHFFFAOYSA-N 2 0 381.520 3.201 20 0 GGADRP CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130197934 1416337762 /nfs/dbraw/zinc/33/77/62/1416337762.db2.gz UELOGCSEKXFTDC-UHFFFAOYSA-N 2 0 381.520 3.201 20 0 GGADRP CCCOc1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC000130387294 1416369061 /nfs/dbraw/zinc/36/90/61/1416369061.db2.gz QUWRKROJSTWANJ-LJQANCHMSA-N 2 0 376.541 3.465 20 0 GGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130499769 1416389019 /nfs/dbraw/zinc/38/90/19/1416389019.db2.gz WVEURYIEUDFGLU-SFHVURJKSA-N 2 0 390.535 3.178 20 0 GGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000130522853 1416393600 /nfs/dbraw/zinc/39/36/00/1416393600.db2.gz SBQAGZWHNPWAMM-OAQYLSRUSA-N 2 0 380.536 3.454 20 0 GGADRP CCc1cccc(OCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130655819 1416418647 /nfs/dbraw/zinc/41/86/47/1416418647.db2.gz KHGQQKADLUWUCZ-UHFFFAOYSA-N 2 0 389.584 3.044 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000130665495 1416421061 /nfs/dbraw/zinc/42/10/61/1416421061.db2.gz SFALOZQCHSIUKL-UHFFFAOYSA-N 2 0 397.510 3.204 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000130667055 1416421444 /nfs/dbraw/zinc/42/14/44/1416421444.db2.gz NUEJIXQMODHJLZ-UHFFFAOYSA-N 2 0 395.975 3.135 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(Cl)c4cccnc34)ccn2)CC1 ZINC000130671903 1416422077 /nfs/dbraw/zinc/42/20/77/1416422077.db2.gz XWYAYRBQSDNWCK-UHFFFAOYSA-N 2 0 381.911 3.325 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000130671185 1416422308 /nfs/dbraw/zinc/42/23/08/1416422308.db2.gz HTIWUONXXOOQDU-UHFFFAOYSA-N 2 0 395.588 3.334 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000130725582 1416435765 /nfs/dbraw/zinc/43/57/65/1416435765.db2.gz YQOXDZKQOQYNBD-IBGZPJMESA-N 2 0 390.572 3.253 20 0 GGADRP C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000178525609 1429096501 /nfs/dbraw/zinc/09/65/01/1429096501.db2.gz PWKQHNIZDZOKMY-GOSISDBHSA-N 2 0 385.556 3.228 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000130745814 1416440816 /nfs/dbraw/zinc/44/08/16/1416440816.db2.gz YLZXYQKZBHRICW-JOCHJYFZSA-N 2 0 398.551 3.249 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000178531536 1429098371 /nfs/dbraw/zinc/09/83/71/1429098371.db2.gz LRFOJADEPBNELQ-LJQANCHMSA-N 2 0 387.524 3.444 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000130845789 1416466289 /nfs/dbraw/zinc/46/62/89/1416466289.db2.gz SBKIWTRLESAKFL-FQEVSTJZSA-N 2 0 392.563 3.267 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000130845570 1416466384 /nfs/dbraw/zinc/46/63/84/1416466384.db2.gz SBKIWTRLESAKFL-HXUWFJFHSA-N 2 0 392.563 3.267 20 0 GGADRP Cc1cc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC000130906775 1416478969 /nfs/dbraw/zinc/47/89/69/1416478969.db2.gz ZDOAZCSSFSOWNF-UHFFFAOYSA-N 2 0 383.536 3.357 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539264 1429101700 /nfs/dbraw/zinc/10/17/00/1429101700.db2.gz KPPXXVCEEKANDV-UGKGYDQZSA-N 2 0 399.583 3.085 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000131060553 1416503085 /nfs/dbraw/zinc/50/30/85/1416503085.db2.gz ZZMBYYVGPTYTEO-PMACEKPBSA-N 2 0 382.552 3.253 20 0 GGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000131085765 1416506551 /nfs/dbraw/zinc/50/65/51/1416506551.db2.gz ATVIBNQMBQSTQK-UHFFFAOYSA-N 2 0 389.975 3.376 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131103354 1416508917 /nfs/dbraw/zinc/50/89/17/1416508917.db2.gz UZXNJRXXAKNDLW-LJQANCHMSA-N 2 0 383.584 3.285 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000131279733 1416534273 /nfs/dbraw/zinc/53/42/73/1416534273.db2.gz WSWUPBXIHRTHNZ-ZWKOTPCHSA-N 2 0 381.586 3.388 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000131750412 1416611241 /nfs/dbraw/zinc/61/12/41/1416611241.db2.gz HQMUZSATZDJGQL-SFHVURJKSA-N 2 0 395.551 3.168 20 0 GGADRP COc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1NC(C)=O ZINC000131932004 1416654505 /nfs/dbraw/zinc/65/45/05/1416654505.db2.gz VNQIADXMGGSJTF-MRXNPFEDSA-N 2 0 385.508 3.445 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000131941923 1416656362 /nfs/dbraw/zinc/65/63/62/1416656362.db2.gz HWGRIBIQKDYBLH-SFHVURJKSA-N 2 0 387.572 3.027 20 0 GGADRP CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000178600729 1429118729 /nfs/dbraw/zinc/11/87/29/1429118729.db2.gz BUUCQPBDRCNMCE-GOSISDBHSA-N 2 0 385.474 3.468 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000132129237 1416703209 /nfs/dbraw/zinc/70/32/09/1416703209.db2.gz IMMWRSXNXNTPDF-SFHVURJKSA-N 2 0 397.542 3.424 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132232203 1416721238 /nfs/dbraw/zinc/72/12/38/1416721238.db2.gz VCVSXMRZZGCROC-ABSDTBQOSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178635712 1429126218 /nfs/dbraw/zinc/12/62/18/1429126218.db2.gz MKTQOJRLUJHTDP-GOSISDBHSA-N 2 0 376.508 3.225 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132500257 1416773797 /nfs/dbraw/zinc/77/37/97/1416773797.db2.gz JBWPRUDLPFZXER-LPHOPBHVSA-N 2 0 387.597 3.436 20 0 GGADRP COC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000132504504 1416775069 /nfs/dbraw/zinc/77/50/69/1416775069.db2.gz QCDNLIFTCMAHAD-OALUTQOASA-N 2 0 387.490 3.255 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000132568512 1416786085 /nfs/dbraw/zinc/78/60/85/1416786085.db2.gz IALUXVYWVMQTFP-VGOFRKELSA-N 2 0 387.547 3.242 20 0 GGADRP CN(C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000132677465 1416802804 /nfs/dbraw/zinc/80/28/04/1416802804.db2.gz BNCPSLQAKUGOLP-XMMPIXPASA-N 2 0 394.607 3.480 20 0 GGADRP COc1ccc(OCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000132800098 1416816502 /nfs/dbraw/zinc/81/65/02/1416816502.db2.gz JWVCZPUBSZSOLG-UHFFFAOYSA-N 2 0 383.536 3.394 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000132881540 1416826653 /nfs/dbraw/zinc/82/66/53/1416826653.db2.gz FZUDDQWBKFRRJG-GHTZIAJQSA-N 2 0 387.572 3.171 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882125 1416826686 /nfs/dbraw/zinc/82/66/86/1416826686.db2.gz SCOFXRYFAZLNQF-MOPGFXCFSA-N 2 0 398.551 3.151 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000132890953 1416827774 /nfs/dbraw/zinc/82/77/74/1416827774.db2.gz YRMBASWRSRNMGH-UHFFFAOYSA-N 2 0 388.515 3.330 20 0 GGADRP CN(c1ccccc1C[NH2+]Cc1cccnc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000132937178 1416833532 /nfs/dbraw/zinc/83/35/32/1416833532.db2.gz HWXJYGBFHXYRMD-UHFFFAOYSA-N 2 0 390.535 3.088 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000178666215 1429133620 /nfs/dbraw/zinc/13/36/20/1429133620.db2.gz YODSOSJLOPAVAQ-KRWDZBQOSA-N 2 0 388.943 3.376 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074433 1416849130 /nfs/dbraw/zinc/84/91/30/1416849130.db2.gz AMDLSXHYMGHPJZ-RTBURBONSA-N 2 0 398.551 3.092 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074242 1416849146 /nfs/dbraw/zinc/84/91/46/1416849146.db2.gz AMDLSXHYMGHPJZ-RBUKOAKNSA-N 2 0 398.551 3.092 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC[N@@H+]1C ZINC000133077232 1416849560 /nfs/dbraw/zinc/84/95/60/1416849560.db2.gz KTPOXKYPUBTGRO-SNRMKQJTSA-N 2 0 385.474 3.151 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000133101843 1416852389 /nfs/dbraw/zinc/85/23/89/1416852389.db2.gz OLYJOQIWZQBVFM-SMOSDQRPSA-N 2 0 399.501 3.397 20 0 GGADRP O=C1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CN1c1c(F)cccc1F ZINC000133340201 1416880503 /nfs/dbraw/zinc/88/05/03/1416880503.db2.gz ZAFXCBSGXCLMEU-IBGZPJMESA-N 2 0 399.485 3.367 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133422915 1416888261 /nfs/dbraw/zinc/88/82/61/1416888261.db2.gz ZFMQNMWOPPYGFW-XMSQKQJNSA-N 2 0 399.583 3.171 20 0 GGADRP Cc1nc(-c2ccccc2)sc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133579851 1416909941 /nfs/dbraw/zinc/90/99/41/1416909941.db2.gz MPKQMUBZEFOSBW-UHFFFAOYSA-N 2 0 375.542 3.076 20 0 GGADRP C[C@H](Oc1cccnc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000133646364 1416929317 /nfs/dbraw/zinc/92/93/17/1416929317.db2.gz FJDDMQXOBDPGMK-SFHVURJKSA-N 2 0 399.539 3.179 20 0 GGADRP CN(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000133662861 1416934066 /nfs/dbraw/zinc/93/40/66/1416934066.db2.gz ATFDNGAUNFTTHF-UHFFFAOYSA-N 2 0 390.572 3.174 20 0 GGADRP FC(F)(F)CN1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000178698433 1429144902 /nfs/dbraw/zinc/14/49/02/1429144902.db2.gz DDJYWYVJCHGOAJ-UHFFFAOYSA-N 2 0 398.517 3.205 20 0 GGADRP CCc1nccn1[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000133785409 1416963047 /nfs/dbraw/zinc/96/30/47/1416963047.db2.gz VEMLTMXVFHBQHW-GOSISDBHSA-N 2 0 387.503 3.193 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000133834618 1416972903 /nfs/dbraw/zinc/97/29/03/1416972903.db2.gz ZHBRPRWXHFPQSG-UNMCSNQZSA-N 2 0 386.584 3.270 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133887329 1416988559 /nfs/dbraw/zinc/98/85/59/1416988559.db2.gz QSWCYVSBJIUYGQ-SFHVURJKSA-N 2 0 399.535 3.096 20 0 GGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000133958144 1417001822 /nfs/dbraw/zinc/00/18/22/1417001822.db2.gz JEZXQIDJPFWNSL-SFHVURJKSA-N 2 0 399.583 3.039 20 0 GGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000133986279 1417005606 /nfs/dbraw/zinc/00/56/06/1417005606.db2.gz CRWAOUQPBPJFLX-IBGZPJMESA-N 2 0 389.588 3.415 20 0 GGADRP C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133998915 1417007716 /nfs/dbraw/zinc/00/77/16/1417007716.db2.gz URNOUGREASSBSL-VGSWGCGISA-N 2 0 386.561 3.499 20 0 GGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000134036515 1417012863 /nfs/dbraw/zinc/01/28/63/1417012863.db2.gz LATWWSDRKZVOAP-SFHVURJKSA-N 2 0 399.583 3.039 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000134481716 1417074892 /nfs/dbraw/zinc/07/48/92/1417074892.db2.gz NDRCQCHRBKLXAC-IBGZPJMESA-N 2 0 388.487 3.117 20 0 GGADRP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134867592 1417136624 /nfs/dbraw/zinc/13/66/24/1417136624.db2.gz PPZBNFRBEUYFCP-DENIHFKCSA-N 2 0 380.536 3.448 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000134888190 1417140191 /nfs/dbraw/zinc/14/01/91/1417140191.db2.gz ROPOQHLCYGKNRD-OAHLLOKOSA-N 2 0 376.545 3.407 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000134888209 1417140301 /nfs/dbraw/zinc/14/03/01/1417140301.db2.gz ROPOQHLCYGKNRD-HNNXBMFYSA-N 2 0 376.545 3.407 20 0 GGADRP COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134904048 1417142377 /nfs/dbraw/zinc/14/23/77/1417142377.db2.gz SDANBPULHZFYJX-WAOWUJCRSA-N 2 0 385.552 3.163 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000134914584 1417144169 /nfs/dbraw/zinc/14/41/69/1417144169.db2.gz ZJBJIUGEIKSXGV-NVXWUHKLSA-N 2 0 376.545 3.407 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134946380 1417150391 /nfs/dbraw/zinc/15/03/91/1417150391.db2.gz DGAGIQABMHPXAM-IFMALSPDSA-N 2 0 394.567 3.459 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1F ZINC000134993324 1417157785 /nfs/dbraw/zinc/15/77/85/1417157785.db2.gz JVCNMYMVDHEQGJ-UHFFFAOYSA-N 2 0 378.536 3.341 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135131030 1417175987 /nfs/dbraw/zinc/17/59/87/1417175987.db2.gz UONBXVQKJSDTHF-BGYRXZFFSA-N 2 0 387.568 3.251 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135140709 1417176797 /nfs/dbraw/zinc/17/67/97/1417176797.db2.gz QOYHWAVDTAALHG-HDICACEKSA-N 2 0 392.563 3.445 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000135139360 1417176825 /nfs/dbraw/zinc/17/68/25/1417176825.db2.gz LHENERPRMMBRRI-QGZVFWFLSA-N 2 0 378.536 3.341 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000135161480 1417179538 /nfs/dbraw/zinc/17/95/38/1417179538.db2.gz IWXCGYZLQJUQKT-OAQYLSRUSA-N 2 0 398.526 3.351 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135195969 1417185341 /nfs/dbraw/zinc/18/53/41/1417185341.db2.gz CHTCCSWZZZDARB-MRXNPFEDSA-N 2 0 378.536 3.197 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135273508 1417200347 /nfs/dbraw/zinc/20/03/47/1417200347.db2.gz KASGPOZHLAPXPH-FXAWDEMLSA-N 2 0 394.531 3.129 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135273488 1417200426 /nfs/dbraw/zinc/20/04/26/1417200426.db2.gz KASGPOZHLAPXPH-XLIONFOSSA-N 2 0 394.531 3.129 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135274300 1417200512 /nfs/dbraw/zinc/20/05/12/1417200512.db2.gz XLOKBXITFPBQSO-HBFSDRIKSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000135272579 1417200778 /nfs/dbraw/zinc/20/07/78/1417200778.db2.gz MRSYQHMVMFALQR-HBFSDRIKSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000135385190 1417213482 /nfs/dbraw/zinc/21/34/82/1417213482.db2.gz MQVNSDCGLNFAHJ-QGZVFWFLSA-N 2 0 386.515 3.207 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000135459974 1417223118 /nfs/dbraw/zinc/22/31/18/1417223118.db2.gz KNIHAYPFGQIGRW-FQEVSTJZSA-N 2 0 390.478 3.129 20 0 GGADRP CC1CC[NH+](CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000135580317 1417239984 /nfs/dbraw/zinc/23/99/84/1417239984.db2.gz OINXNAJLIYYUQD-UHFFFAOYSA-N 2 0 386.540 3.172 20 0 GGADRP COc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000136001442 1417285184 /nfs/dbraw/zinc/28/51/84/1417285184.db2.gz YQNLFGHXVQUCOV-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP Cc1cc(Br)ccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136228737 1417303416 /nfs/dbraw/zinc/30/34/16/1417303416.db2.gz LQLOFUFZZBRNOC-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000136242756 1417304612 /nfs/dbraw/zinc/30/46/12/1417304612.db2.gz ZXBOWWNMUICKFC-GHTZIAJQSA-N 2 0 388.531 3.046 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000136580523 1417328904 /nfs/dbraw/zinc/32/89/04/1417328904.db2.gz BJIDCKCODHBNPU-VXKWHMMOSA-N 2 0 384.568 3.298 20 0 GGADRP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000136607118 1417332069 /nfs/dbraw/zinc/33/20/69/1417332069.db2.gz UTAKKVRFGRNLMB-MSOLQXFVSA-N 2 0 397.357 3.315 20 0 GGADRP Cn1ncc2c1CCC[C@H]2[NH+](C)C/C=C/C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000136824219 1417347759 /nfs/dbraw/zinc/34/77/59/1417347759.db2.gz WGQRGNZXPRNQHK-BGEOSOQGSA-N 2 0 382.556 3.028 20 0 GGADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000138070077 1417404502 /nfs/dbraw/zinc/40/45/02/1417404502.db2.gz VSUUQVXVDLCCOD-OAQYLSRUSA-N 2 0 389.547 3.384 20 0 GGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000139508894 1417462207 /nfs/dbraw/zinc/46/22/07/1417462207.db2.gz XVNZGRVCEYCARW-OAQYLSRUSA-N 2 0 380.536 3.309 20 0 GGADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c1 ZINC000141848101 1417559660 /nfs/dbraw/zinc/55/96/60/1417559660.db2.gz MCCUGRZXODNRPA-UHFFFAOYSA-N 2 0 390.572 3.095 20 0 GGADRP C(=C/CN1CC[NH+](C2CCCCC2)CC1)\CN1CC[NH+](C2CCCCC2)CC1 ZINC000141876849 1417563630 /nfs/dbraw/zinc/56/36/30/1417563630.db2.gz WDCITAGTVIOKHZ-BQYQJAHWSA-N 2 0 388.644 3.443 20 0 GGADRP C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000145588704 1417692553 /nfs/dbraw/zinc/69/25/53/1417692553.db2.gz MOZNFDIAPMOSDD-MOPGFXCFSA-N 2 0 388.625 3.378 20 0 GGADRP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000178875956 1429206891 /nfs/dbraw/zinc/20/68/91/1429206891.db2.gz FFRMPLNPAYGYON-HSZRJFAPSA-N 2 0 392.547 3.085 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000149004755 1417770708 /nfs/dbraw/zinc/77/07/08/1417770708.db2.gz IQBKTVPQDMVCER-KRWDZBQOSA-N 2 0 378.586 3.132 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000178879064 1429208980 /nfs/dbraw/zinc/20/89/80/1429208980.db2.gz WIUOVVDZZUVZDN-AZUAARDMSA-N 2 0 384.568 3.183 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000150756889 1417800649 /nfs/dbraw/zinc/80/06/49/1417800649.db2.gz AMCGHSIBOGLFTQ-OAQYLSRUSA-N 2 0 386.584 3.270 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178883023 1429210538 /nfs/dbraw/zinc/21/05/38/1429210538.db2.gz KQCUQLBSQJIHPO-UGKGYDQZSA-N 2 0 388.600 3.299 20 0 GGADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150781444 1417805613 /nfs/dbraw/zinc/80/56/13/1417805613.db2.gz CTHYGIHRRIGVQW-QHCPKHFHSA-N 2 0 398.595 3.066 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150804209 1417809997 /nfs/dbraw/zinc/80/99/97/1417809997.db2.gz SKZGOGKEBXABCG-FQEVSTJZSA-N 2 0 395.551 3.235 20 0 GGADRP CN(c1ccccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1)C1CC[NH+](C)CC1 ZINC000151414629 1417957875 /nfs/dbraw/zinc/95/78/75/1417957875.db2.gz UXPIZLXSZMQBEP-SIKLNZKXSA-N 2 0 389.609 3.361 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000151504432 1418006522 /nfs/dbraw/zinc/00/65/22/1418006522.db2.gz OWUPRJLWGSVILJ-FUDKSRODSA-N 2 0 396.579 3.167 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000151713784 1418070062 /nfs/dbraw/zinc/07/00/62/1418070062.db2.gz BWBZWDGXLVGXRQ-YPAWHYETSA-N 2 0 384.568 3.024 20 0 GGADRP COc1ccc(C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(OC)cc2)cc1 ZINC000151825185 1418095298 /nfs/dbraw/zinc/09/52/98/1418095298.db2.gz WKKWCCOSOAVRDX-DEOSSOPVSA-N 2 0 398.547 3.282 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1F ZINC000152024036 1418123050 /nfs/dbraw/zinc/12/30/50/1418123050.db2.gz USUJSVXFRUETPS-IAGOWNOFSA-N 2 0 392.515 3.324 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000152023958 1418123087 /nfs/dbraw/zinc/12/30/87/1418123087.db2.gz USUJSVXFRUETPS-IRXDYDNUSA-N 2 0 392.515 3.324 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000152090465 1418142540 /nfs/dbraw/zinc/14/25/40/1418142540.db2.gz VFPRCLDTJJNWJK-SFHVURJKSA-N 2 0 387.572 3.171 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)CC1 ZINC000179179367 1429287161 /nfs/dbraw/zinc/28/71/61/1429287161.db2.gz QNONUDZVPYGYQJ-CBNMVNINSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391740 1429356163 /nfs/dbraw/zinc/35/61/63/1429356163.db2.gz RWDNENSKUNTWOU-SFHVURJKSA-N 2 0 398.526 3.464 20 0 GGADRP C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392962 1429356739 /nfs/dbraw/zinc/35/67/39/1429356739.db2.gz ZAVYJGZYJZNRLE-UHFFFAOYSA-N 2 0 391.519 3.099 20 0 GGADRP CN(Cc1cccs1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393033 1429356829 /nfs/dbraw/zinc/35/68/29/1429356829.db2.gz REABRNHJVOBGFW-UHFFFAOYSA-N 2 0 386.565 3.340 20 0 GGADRP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393232 1429356950 /nfs/dbraw/zinc/35/69/50/1429356950.db2.gz YZJXIBQACGNLFF-GOSISDBHSA-N 2 0 398.555 3.425 20 0 GGADRP C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394346 1429357449 /nfs/dbraw/zinc/35/74/49/1429357449.db2.gz QFPAZDGDKRCACI-KRWDZBQOSA-N 2 0 386.565 3.386 20 0 GGADRP Cc1csc2nc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cc(=O)n12 ZINC000179397619 1429359235 /nfs/dbraw/zinc/35/92/35/1429359235.db2.gz CUJHIJHVFKMENR-UHFFFAOYSA-N 2 0 397.548 3.198 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc3nccn32)CC1 ZINC000179423736 1429369632 /nfs/dbraw/zinc/36/96/32/1429369632.db2.gz XOWJQRJLONWMEH-KRWDZBQOSA-N 2 0 381.499 3.466 20 0 GGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179468425 1429385710 /nfs/dbraw/zinc/38/57/10/1429385710.db2.gz PLKHOJSRAZMLPF-OAHLLOKOSA-N 2 0 391.512 3.191 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496149 1429394825 /nfs/dbraw/zinc/39/48/25/1429394825.db2.gz LKZXQRITJCZYSQ-WMZHIEFXSA-N 2 0 395.547 3.469 20 0 GGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000179509921 1429402381 /nfs/dbraw/zinc/40/23/81/1429402381.db2.gz ZURWFJYSONCPPZ-QGZVFWFLSA-N 2 0 379.508 3.367 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679383 1429503764 /nfs/dbraw/zinc/50/37/64/1429503764.db2.gz LJKJEOZWXGNFNP-OAQYLSRUSA-N 2 0 389.540 3.082 20 0 GGADRP Cc1cc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccccc3F)CC2)nc(C)n1 ZINC000152464579 1422110706 /nfs/dbraw/zinc/11/07/06/1422110706.db2.gz OLFATIXCBSHBAJ-UHFFFAOYSA-N 2 0 380.471 3.381 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152464636 1422110813 /nfs/dbraw/zinc/11/08/13/1422110813.db2.gz HYVRSGAJKXTAGW-KGLIPLIRSA-N 2 0 385.430 3.376 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152464736 1422110906 /nfs/dbraw/zinc/11/09/06/1422110906.db2.gz HYVRSGAJKXTAGW-UONOGXRCSA-N 2 0 385.430 3.376 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC2)CC1 ZINC000152682758 1422207431 /nfs/dbraw/zinc/20/74/31/1422207431.db2.gz ULBIFNXPOLGGGN-QNGMFEMESA-N 2 0 376.589 3.157 20 0 GGADRP CCN(CC)C(=O)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755002 1429541264 /nfs/dbraw/zinc/54/12/64/1429541264.db2.gz BOACAZIEKMLTIG-JOCHJYFZSA-N 2 0 380.536 3.497 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000153094408 1422354390 /nfs/dbraw/zinc/35/43/90/1422354390.db2.gz ZWJXNHBDEYVJOF-GHTZIAJQSA-N 2 0 384.568 3.356 20 0 GGADRP Cc1c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cnn1-c1ccncc1 ZINC000153426777 1422529661 /nfs/dbraw/zinc/52/96/61/1422529661.db2.gz QGWUBJRNOJWNPO-HKUYNNGSSA-N 2 0 381.524 3.302 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc([S@](C)=O)cc1 ZINC000153487049 1422564250 /nfs/dbraw/zinc/56/42/50/1422564250.db2.gz QESQADOWLYQQCG-DLEQGYHRSA-N 2 0 386.561 3.496 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153572395 1422626111 /nfs/dbraw/zinc/62/61/11/1422626111.db2.gz UITJMLDYJFXBPJ-QFBILLFUSA-N 2 0 398.954 3.454 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C2)CC1 ZINC000153616015 1422650354 /nfs/dbraw/zinc/65/03/54/1422650354.db2.gz GVYRJHCIJREZMV-HXUWFJFHSA-N 2 0 388.556 3.245 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000153652090 1422679663 /nfs/dbraw/zinc/67/96/63/1422679663.db2.gz VDUZJUOONSDVCT-NRFANRHFSA-N 2 0 395.551 3.389 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153652771 1422680036 /nfs/dbraw/zinc/68/00/36/1422680036.db2.gz BIBZJXKEEMLWCL-IFMALSPDSA-N 2 0 399.604 3.324 20 0 GGADRP c1csc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000153663082 1422688822 /nfs/dbraw/zinc/68/88/22/1422688822.db2.gz KPILBUUYOIKORW-JOCHJYFZSA-N 2 0 399.604 3.418 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000153739612 1422731596 /nfs/dbraw/zinc/73/15/96/1422731596.db2.gz MGSVNSXKXURADJ-GOSISDBHSA-N 2 0 390.553 3.251 20 0 GGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000153927493 1422812566 /nfs/dbraw/zinc/81/25/66/1422812566.db2.gz VSFFBIRYUPCHMB-QZTJIDSGSA-N 2 0 392.975 3.159 20 0 GGADRP Fc1cccnc1N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000153994280 1422822445 /nfs/dbraw/zinc/82/24/45/1422822445.db2.gz RZLXKEIZWKPHIG-IBGZPJMESA-N 2 0 384.499 3.064 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154223523 1422857884 /nfs/dbraw/zinc/85/78/84/1422857884.db2.gz BIMCJZQJAVNIAC-FQEVSTJZSA-N 2 0 383.584 3.476 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000154381869 1422881630 /nfs/dbraw/zinc/88/16/30/1422881630.db2.gz DVRRYKYDTFFJKM-HSZRJFAPSA-N 2 0 392.547 3.421 20 0 GGADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000154548742 1422920282 /nfs/dbraw/zinc/92/02/82/1422920282.db2.gz MSDIMSMIHRVVDI-UHFFFAOYSA-N 2 0 376.545 3.274 20 0 GGADRP Cc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(OCC[NH+](C)C)c1 ZINC000154610316 1422960805 /nfs/dbraw/zinc/96/08/05/1422960805.db2.gz JSMLGOBYNKBXAJ-UHFFFAOYSA-N 2 0 384.524 3.319 20 0 GGADRP Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(OCC[NH+](C)C)c1 ZINC000154645350 1422981616 /nfs/dbraw/zinc/98/16/16/1422981616.db2.gz XQNZIUPCASOJRE-UHFFFAOYSA-N 2 0 384.524 3.319 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000154660612 1422989481 /nfs/dbraw/zinc/98/94/81/1422989481.db2.gz XXMPOCQDWVNRLT-GGPKGHCWSA-N 2 0 378.992 3.170 20 0 GGADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154736704 1423016419 /nfs/dbraw/zinc/01/64/19/1423016419.db2.gz KZJOGOLZKWKSDQ-VXKWHMMOSA-N 2 0 390.568 3.017 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000154841505 1423051711 /nfs/dbraw/zinc/05/17/11/1423051711.db2.gz KRCPDKQYNDRQTF-MRXNPFEDSA-N 2 0 389.569 3.006 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000154899588 1423072753 /nfs/dbraw/zinc/07/27/53/1423072753.db2.gz PPYRCNMYPODOER-CVEARBPZSA-N 2 0 375.948 3.121 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155014965 1423116044 /nfs/dbraw/zinc/11/60/44/1423116044.db2.gz YOOBYWYGWZYFPH-MBSDFSHPSA-N 2 0 385.527 3.344 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000155092519 1423157030 /nfs/dbraw/zinc/15/70/30/1423157030.db2.gz CJHGFZBZMDYFBS-QWHCGFSZSA-N 2 0 393.425 3.176 20 0 GGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)ccc1O ZINC000155123923 1423182499 /nfs/dbraw/zinc/18/24/99/1423182499.db2.gz YRAAQOAWYLTSSX-KRWDZBQOSA-N 2 0 384.362 3.223 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155149904 1423197672 /nfs/dbraw/zinc/19/76/72/1423197672.db2.gz XJSWSMMUAIHTIN-PMACEKPBSA-N 2 0 388.556 3.467 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000155307531 1423310646 /nfs/dbraw/zinc/31/06/46/1423310646.db2.gz LBFSWFXXYGJCDK-PMACEKPBSA-N 2 0 376.520 3.088 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000155456005 1423371593 /nfs/dbraw/zinc/37/15/93/1423371593.db2.gz AFOYTBWJRBNSMN-SFHVURJKSA-N 2 0 389.503 3.282 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155561200 1423419632 /nfs/dbraw/zinc/41/96/32/1423419632.db2.gz CROWTQVMTAOMAQ-RBUKOAKNSA-N 2 0 389.588 3.237 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155569136 1423423092 /nfs/dbraw/zinc/42/30/92/1423423092.db2.gz DBNWHGCDERBGOV-WOJBJXKFSA-N 2 0 383.584 3.474 20 0 GGADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000155614804 1423447031 /nfs/dbraw/zinc/44/70/31/1423447031.db2.gz MAAWKGKYAOIQNI-OXQOHEQNSA-N 2 0 381.923 3.320 20 0 GGADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000155614704 1423447501 /nfs/dbraw/zinc/44/75/01/1423447501.db2.gz MAAWKGKYAOIQNI-OXJNMPFZSA-N 2 0 381.923 3.320 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155662939 1423474975 /nfs/dbraw/zinc/47/49/75/1423474975.db2.gz RQNRNHAGHOFOMC-WMZHIEFXSA-N 2 0 392.547 3.388 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155663056 1423475370 /nfs/dbraw/zinc/47/53/70/1423475370.db2.gz RQNRNHAGHOFOMC-AUSIDOKSSA-N 2 0 392.547 3.388 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCC(=O)Nc3c(C)cc(C)cc3C)C2)CC1 ZINC000155684408 1423486127 /nfs/dbraw/zinc/48/61/27/1423486127.db2.gz VWTWFRJXDKRPAD-NRFANRHFSA-N 2 0 386.584 3.042 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@@H](C)O1 ZINC000155725640 1423505343 /nfs/dbraw/zinc/50/53/43/1423505343.db2.gz QQAAKGYOJFRMLP-RTBURBONSA-N 2 0 395.547 3.287 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)cn2)CC1 ZINC000155797359 1423539348 /nfs/dbraw/zinc/53/93/48/1423539348.db2.gz VNXGWSMILOGEMA-UHFFFAOYSA-N 2 0 381.911 3.325 20 0 GGADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC000155860343 1423565701 /nfs/dbraw/zinc/56/57/01/1423565701.db2.gz VVXZJIPKKWDUQH-HXUWFJFHSA-N 2 0 375.582 3.116 20 0 GGADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000156090848 1423667831 /nfs/dbraw/zinc/66/78/31/1423667831.db2.gz JIQQPMLOSQCRRP-KRWDZBQOSA-N 2 0 398.526 3.130 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156151042 1423696653 /nfs/dbraw/zinc/69/66/53/1423696653.db2.gz KNPUBNHXFGAZGL-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156353880 1423793862 /nfs/dbraw/zinc/79/38/62/1423793862.db2.gz ALWNCDVVRNANMZ-QFIPXVFZSA-N 2 0 384.568 3.095 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156385800 1423803105 /nfs/dbraw/zinc/80/31/05/1423803105.db2.gz GAVMUZJQZNRMLV-GOSISDBHSA-N 2 0 377.529 3.116 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1)c1ccccc1 ZINC000156442819 1423810894 /nfs/dbraw/zinc/81/08/94/1423810894.db2.gz FQAGIPIIBPMYPR-IBGZPJMESA-N 2 0 395.547 3.378 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000156447464 1423811625 /nfs/dbraw/zinc/81/16/25/1423811625.db2.gz JWBFSFYJSFMQJA-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000156540954 1423825021 /nfs/dbraw/zinc/82/50/21/1423825021.db2.gz ZOMVEFQARUBZQB-GFCCVEGCSA-N 2 0 383.380 3.450 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887725 1423881010 /nfs/dbraw/zinc/88/10/10/1423881010.db2.gz ZTMLOSRVPVDAGI-SIKLNZKXSA-N 2 0 381.495 3.300 20 0 GGADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156893732 1423881906 /nfs/dbraw/zinc/88/19/06/1423881906.db2.gz CRXNRVSKESCNMP-GCJKJVERSA-N 2 0 395.547 3.113 20 0 GGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156912549 1423884752 /nfs/dbraw/zinc/88/47/52/1423884752.db2.gz QYARVZZTFRQYJO-XLIONFOSSA-N 2 0 381.520 3.243 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccccc43)c2)C1 ZINC000156932063 1423888447 /nfs/dbraw/zinc/88/84/47/1423888447.db2.gz ZFZWHEXJTSKSBC-RBBKRZOGSA-N 2 0 393.531 3.387 20 0 GGADRP CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156936238 1423889735 /nfs/dbraw/zinc/88/97/35/1423889735.db2.gz NQPSGAFHRKGXFV-XZOQPEGZSA-N 2 0 379.548 3.495 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000157068729 1423916955 /nfs/dbraw/zinc/91/69/55/1423916955.db2.gz KGUVXRBTUVCOAH-KRWDZBQOSA-N 2 0 393.959 3.031 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000157157294 1423940439 /nfs/dbraw/zinc/94/04/39/1423940439.db2.gz IOXGOEZBWULHQI-FQEVSTJZSA-N 2 0 398.555 3.061 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157264021 1423969253 /nfs/dbraw/zinc/96/92/53/1423969253.db2.gz PYFGZILLVMIYHF-MOPGFXCFSA-N 2 0 381.586 3.040 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157263826 1423969278 /nfs/dbraw/zinc/96/92/78/1423969278.db2.gz PYFGZILLVMIYHF-RTBURBONSA-N 2 0 381.586 3.040 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000157334174 1423987044 /nfs/dbraw/zinc/98/70/44/1423987044.db2.gz DHLNHZPEZMSWNO-UHFFFAOYSA-N 2 0 380.964 3.286 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157375551 1423997040 /nfs/dbraw/zinc/99/70/40/1423997040.db2.gz FPZRXXOUTBARIE-NRFANRHFSA-N 2 0 382.556 3.461 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000157379188 1423998564 /nfs/dbraw/zinc/99/85/64/1423998564.db2.gz KAXYPRMVACOSBC-LJQANCHMSA-N 2 0 389.588 3.249 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000157497870 1424023916 /nfs/dbraw/zinc/02/39/16/1424023916.db2.gz ZLUROJRZGXLEKV-UHFFFAOYSA-N 2 0 393.547 3.011 20 0 GGADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000180015455 1429692736 /nfs/dbraw/zinc/69/27/36/1429692736.db2.gz ZAPBXPWBZGDIFG-RXVVDRJESA-N 2 0 399.645 3.069 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1N1CCCC1 ZINC000157754595 1424080910 /nfs/dbraw/zinc/08/09/10/1424080910.db2.gz RRIUAIQGWKIQPH-LJQANCHMSA-N 2 0 387.572 3.167 20 0 GGADRP CCCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000157857991 1424105368 /nfs/dbraw/zinc/10/53/68/1424105368.db2.gz IVKOEKFLEKXHRC-LJQANCHMSA-N 2 0 376.545 3.355 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCCCC1 ZINC000157887511 1424112832 /nfs/dbraw/zinc/11/28/32/1424112832.db2.gz LOSNAIGONNQNPK-HXUWFJFHSA-N 2 0 390.572 3.204 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCCCC1 ZINC000157887363 1424112961 /nfs/dbraw/zinc/11/29/61/1424112961.db2.gz LOSNAIGONNQNPK-FQEVSTJZSA-N 2 0 390.572 3.204 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccco1 ZINC000157928437 1424122298 /nfs/dbraw/zinc/12/22/98/1424122298.db2.gz GLGNHNWOOLCIET-OALUTQOASA-N 2 0 376.545 3.322 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158143079 1424177706 /nfs/dbraw/zinc/17/77/06/1424177706.db2.gz NKNTVYUTAUOOGC-MISYRCLQSA-N 2 0 386.540 3.075 20 0 GGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000158518558 1424277381 /nfs/dbraw/zinc/27/73/81/1424277381.db2.gz DHZGHZFOCDTGIH-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000158583387 1424295712 /nfs/dbraw/zinc/29/57/12/1424295712.db2.gz QJSOEIYZKJHNNV-BZSNNMDCSA-N 2 0 381.586 3.003 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000158689519 1424320511 /nfs/dbraw/zinc/32/05/11/1424320511.db2.gz ZTOTWVKNPGOBIR-GBXCKJPGSA-N 2 0 397.563 3.179 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000158689949 1424320524 /nfs/dbraw/zinc/32/05/24/1424320524.db2.gz ZTOTWVKNPGOBIR-YKSBVNFPSA-N 2 0 397.563 3.179 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000158703087 1424323026 /nfs/dbraw/zinc/32/30/26/1424323026.db2.gz VHDCGPAWIZPRSX-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)CC3 ZINC000180060991 1429718816 /nfs/dbraw/zinc/71/88/16/1429718816.db2.gz FCPLWLKYZZKYNJ-IBGZPJMESA-N 2 0 389.547 3.270 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000158978760 1424385947 /nfs/dbraw/zinc/38/59/47/1424385947.db2.gz RYWVAAJLHVOEGI-DENIHFKCSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000159031106 1424400302 /nfs/dbraw/zinc/40/03/02/1424400302.db2.gz YCPCLEGYMGDLSD-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP COCCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000159049459 1424405285 /nfs/dbraw/zinc/40/52/85/1424405285.db2.gz JBQNADPSAYRBHR-UHFFFAOYSA-N 2 0 393.959 3.035 20 0 GGADRP CCOC(=O)CC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000159082205 1424412761 /nfs/dbraw/zinc/41/27/61/1424412761.db2.gz UZSVTPHXQZTESA-UHFFFAOYSA-N 2 0 387.568 3.382 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)ccn2)CC1 ZINC000159142409 1424426739 /nfs/dbraw/zinc/42/67/39/1424426739.db2.gz XRTVKOJGDBVBAW-IBGZPJMESA-N 2 0 386.927 3.490 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)ccn2)CC1 ZINC000159142283 1424426992 /nfs/dbraw/zinc/42/69/92/1424426992.db2.gz XRTVKOJGDBVBAW-LJQANCHMSA-N 2 0 386.927 3.490 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1OC(F)F ZINC000159156573 1424429748 /nfs/dbraw/zinc/42/97/48/1424429748.db2.gz KNBQFOIEFHNZSY-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC000159156294 1424430150 /nfs/dbraw/zinc/43/01/50/1424430150.db2.gz QLPKPZFGMOHRBH-LJQANCHMSA-N 2 0 384.524 3.092 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000159170945 1424434645 /nfs/dbraw/zinc/43/46/45/1424434645.db2.gz MEECKZLBCUGBSA-HNNXBMFYSA-N 2 0 397.947 3.156 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000159188853 1424439349 /nfs/dbraw/zinc/43/93/49/1424439349.db2.gz JNOLCVOOPTUQFM-GOSISDBHSA-N 2 0 386.540 3.092 20 0 GGADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000159192701 1424439415 /nfs/dbraw/zinc/43/94/15/1424439415.db2.gz HITQAVHTRVGCLV-OAQYLSRUSA-N 2 0 380.536 3.454 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159204045 1424442169 /nfs/dbraw/zinc/44/21/69/1424442169.db2.gz XZSYDDUNWLOZGJ-CQSZACIVSA-N 2 0 394.441 3.425 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000180092210 1429733925 /nfs/dbraw/zinc/73/39/25/1429733925.db2.gz POSKNYLHSZWTOF-HXUWFJFHSA-N 2 0 377.891 3.054 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000180096595 1429736073 /nfs/dbraw/zinc/73/60/73/1429736073.db2.gz CWDARZMOEFGRLI-HXUWFJFHSA-N 2 0 377.891 3.054 20 0 GGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000160506975 1424609440 /nfs/dbraw/zinc/60/94/40/1424609440.db2.gz UOCNSLZNMRXETB-HSALFYBXSA-N 2 0 396.620 3.170 20 0 GGADRP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000160609588 1424618692 /nfs/dbraw/zinc/61/86/92/1424618692.db2.gz ZZNGRJBUCASNLX-RTBURBONSA-N 2 0 398.661 3.497 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)CC3 ZINC000180138651 1429754109 /nfs/dbraw/zinc/75/41/09/1429754109.db2.gz QGHZLDFCCMIFGF-IBGZPJMESA-N 2 0 389.547 3.270 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000161987647 1424806566 /nfs/dbraw/zinc/80/65/66/1424806566.db2.gz RQWQERIFQFRYOF-KRWDZBQOSA-N 2 0 385.531 3.279 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000162389308 1424845240 /nfs/dbraw/zinc/84/52/40/1424845240.db2.gz YXGITBDHGOGWFR-HXUWFJFHSA-N 2 0 387.572 3.204 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000162389448 1424845264 /nfs/dbraw/zinc/84/52/64/1424845264.db2.gz YXGITBDHGOGWFR-FQEVSTJZSA-N 2 0 387.572 3.204 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000162485464 1424858111 /nfs/dbraw/zinc/85/81/11/1424858111.db2.gz HYHXCVOIYOAOJX-MRXNPFEDSA-N 2 0 375.948 3.122 20 0 GGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162531243 1424862782 /nfs/dbraw/zinc/86/27/82/1424862782.db2.gz HUYJLZKHFCPYAJ-HNNXBMFYSA-N 2 0 390.915 3.182 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000162550235 1424865159 /nfs/dbraw/zinc/86/51/59/1424865159.db2.gz NBHLRTDYINDGCR-MRXNPFEDSA-N 2 0 388.581 3.415 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591847 1424869772 /nfs/dbraw/zinc/86/97/72/1424869772.db2.gz UNWZMWDXGBZRLZ-XXBNENTESA-N 2 0 382.552 3.022 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC)cc1Cl ZINC000162796325 1424891070 /nfs/dbraw/zinc/89/10/70/1424891070.db2.gz RRAGEPQVVZUHRG-YOEHRIQHSA-N 2 0 395.931 3.102 20 0 GGADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000163086115 1424937152 /nfs/dbraw/zinc/93/71/52/1424937152.db2.gz SAGOWWDUFHKFSW-UHFFFAOYSA-N 2 0 395.547 3.247 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000180155151 1429766429 /nfs/dbraw/zinc/76/64/29/1429766429.db2.gz IDXWZKKLKWYOMY-UHFFFAOYSA-N 2 0 379.335 3.473 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163239762 1424965104 /nfs/dbraw/zinc/96/51/04/1424965104.db2.gz UZJIGKBXDRRZIT-NFBKMPQASA-N 2 0 396.579 3.309 20 0 GGADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000163413812 1424994091 /nfs/dbraw/zinc/99/40/91/1424994091.db2.gz KUZRRBMZKKAOHV-GOSISDBHSA-N 2 0 375.557 3.315 20 0 GGADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000163493997 1425007262 /nfs/dbraw/zinc/00/72/62/1425007262.db2.gz IBMRLRQAXHOPTQ-AWEZNQCLSA-N 2 0 380.602 3.291 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC)cc1 ZINC000163515012 1425010882 /nfs/dbraw/zinc/01/08/82/1425010882.db2.gz DPYXJRJYRJJHLN-FQEVSTJZSA-N 2 0 375.557 3.363 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC ZINC000163541525 1425014426 /nfs/dbraw/zinc/01/44/26/1425014426.db2.gz JSFLRBSCHYJBJR-LJQANCHMSA-N 2 0 375.557 3.363 20 0 GGADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163550829 1425015537 /nfs/dbraw/zinc/01/55/37/1425015537.db2.gz HZFIYRLFGOGEMW-VFNWGFHPSA-N 2 0 375.532 3.275 20 0 GGADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163550720 1425016097 /nfs/dbraw/zinc/01/60/97/1425016097.db2.gz HZFIYRLFGOGEMW-YCRPNKLZSA-N 2 0 375.532 3.275 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000163555776 1425016719 /nfs/dbraw/zinc/01/67/19/1425016719.db2.gz IOYNTGZSFDPAGE-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000163570684 1425019185 /nfs/dbraw/zinc/01/91/85/1425019185.db2.gz JZMVXTCJTGCYPL-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000163570571 1425019423 /nfs/dbraw/zinc/01/94/23/1425019423.db2.gz JZMVXTCJTGCYPL-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000163575273 1425020082 /nfs/dbraw/zinc/02/00/82/1425020082.db2.gz GLMZJTJPIGWDTK-SFHVURJKSA-N 2 0 395.613 3.346 20 0 GGADRP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671029 1425031616 /nfs/dbraw/zinc/03/16/16/1425031616.db2.gz DFRWSBCLDBRZQZ-RDPSFJRHSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694893 1425034422 /nfs/dbraw/zinc/03/44/22/1425034422.db2.gz WIPFCARUUGYCHT-YKSBVNFPSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694994 1425035279 /nfs/dbraw/zinc/03/52/79/1425035279.db2.gz WIPFCARUUGYCHT-GBXCKJPGSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163703753 1425036165 /nfs/dbraw/zinc/03/61/65/1425036165.db2.gz RRKNXVKVVRJLHT-QGZVFWFLSA-N 2 0 381.524 3.490 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163703637 1425036281 /nfs/dbraw/zinc/03/62/81/1425036281.db2.gz RRKNXVKVVRJLHT-KRWDZBQOSA-N 2 0 381.524 3.490 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000163789276 1425044082 /nfs/dbraw/zinc/04/40/82/1425044082.db2.gz ZQQYLMHBGMTIJM-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000163920299 1425057594 /nfs/dbraw/zinc/05/75/94/1425057594.db2.gz KQHGKHIZUZPCDS-SFHVURJKSA-N 2 0 376.508 3.499 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163950196 1425061363 /nfs/dbraw/zinc/06/13/63/1425061363.db2.gz SUXHVEFWERFHAJ-GOSISDBHSA-N 2 0 376.508 3.499 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CCOCC1 ZINC000163975789 1425064792 /nfs/dbraw/zinc/06/47/92/1425064792.db2.gz FCRPTHDUSAYJEA-SFHVURJKSA-N 2 0 376.541 3.081 20 0 GGADRP C[C@H](CC1CCOCC1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163975667 1425064890 /nfs/dbraw/zinc/06/48/90/1425064890.db2.gz UIDQUXFAUZVISL-LJQANCHMSA-N 2 0 390.568 3.471 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000164258278 1425093003 /nfs/dbraw/zinc/09/30/03/1425093003.db2.gz AHXOVWLFGNDWDL-FGTMMUONSA-N 2 0 388.556 3.037 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164520660 1425120336 /nfs/dbraw/zinc/12/03/36/1425120336.db2.gz JUVNTTUFSGOHEW-AEFFLSMTSA-N 2 0 377.529 3.287 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000164733271 1425137914 /nfs/dbraw/zinc/13/79/14/1425137914.db2.gz BFOPHWPJQURSEA-UHFFFAOYSA-N 2 0 377.532 3.220 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1OC ZINC000164938527 1425152514 /nfs/dbraw/zinc/15/25/14/1425152514.db2.gz ICQAKRATSCDQOA-LJQANCHMSA-N 2 0 386.540 3.317 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000165326217 1425175444 /nfs/dbraw/zinc/17/54/44/1425175444.db2.gz BOALGSGHIJINPO-OALUTQOASA-N 2 0 393.597 3.244 20 0 GGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000165601432 1425187806 /nfs/dbraw/zinc/18/78/06/1425187806.db2.gz ABQRSLOZCOKIBN-OAHLLOKOSA-N 2 0 385.474 3.362 20 0 GGADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165667575 1425191581 /nfs/dbraw/zinc/19/15/81/1425191581.db2.gz FFBKSUZSQDJAOV-NQIIRXRSSA-N 2 0 387.568 3.459 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000166220219 1425208475 /nfs/dbraw/zinc/20/84/75/1425208475.db2.gz DMMCZMUYHWEPMT-WOJBJXKFSA-N 2 0 375.557 3.132 20 0 GGADRP FC(F)(F)c1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCOCC2)cc1 ZINC000166419698 1425213055 /nfs/dbraw/zinc/21/30/55/1425213055.db2.gz UCKDBRBPRAYJIE-AQNXPRMDSA-N 2 0 397.485 3.295 20 0 GGADRP CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166553286 1425214381 /nfs/dbraw/zinc/21/43/81/1425214381.db2.gz MCARPKYVMSLKKP-JOCHJYFZSA-N 2 0 380.536 3.027 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000166706480 1425216337 /nfs/dbraw/zinc/21/63/37/1425216337.db2.gz JBWRCKJUWAWZIS-NRFANRHFSA-N 2 0 381.545 3.103 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C1CC[NH2+]CC1 ZINC000167432958 1425225530 /nfs/dbraw/zinc/22/55/30/1425225530.db2.gz SKUIKMVMYJICLU-INIZCTEOSA-N 2 0 390.547 3.320 20 0 GGADRP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000167907259 1425233900 /nfs/dbraw/zinc/23/39/00/1425233900.db2.gz CQAJMUXEZYPCEZ-FQEVSTJZSA-N 2 0 377.960 3.474 20 0 GGADRP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000168963921 1425241128 /nfs/dbraw/zinc/24/11/28/1425241128.db2.gz QMISFNUOYRAQMN-SVFBPWRDSA-N 2 0 387.568 3.028 20 0 GGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000168952677 1425241455 /nfs/dbraw/zinc/24/14/55/1425241455.db2.gz ICRQSLNIWHNTGA-SUMDDJOVSA-N 2 0 397.485 3.422 20 0 GGADRP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000168963825 1425241606 /nfs/dbraw/zinc/24/16/06/1425241606.db2.gz QMISFNUOYRAQMN-IRFCIJBXSA-N 2 0 387.568 3.028 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c(C)c2)CC1 ZINC000170703929 1425307850 /nfs/dbraw/zinc/30/78/50/1425307850.db2.gz GNVQKWQLAXAYJW-UHFFFAOYSA-N 2 0 389.588 3.188 20 0 GGADRP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000170716078 1425314329 /nfs/dbraw/zinc/31/43/29/1425314329.db2.gz GJQOAHUGFJLFMM-UHFFFAOYSA-N 2 0 395.551 3.314 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000170715883 1425314419 /nfs/dbraw/zinc/31/44/19/1425314419.db2.gz TWAVOWMCJIPKBK-UHFFFAOYSA-N 2 0 387.572 3.085 20 0 GGADRP c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170739847 1425323858 /nfs/dbraw/zinc/32/38/58/1425323858.db2.gz MOGIAZNYITZSGC-ZEQRLZLVSA-N 2 0 382.596 3.027 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756291 1425329390 /nfs/dbraw/zinc/32/93/90/1425329390.db2.gz BRPGWDWQFWKDAC-MOPGFXCFSA-N 2 0 390.597 3.401 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000170899525 1425385152 /nfs/dbraw/zinc/38/51/52/1425385152.db2.gz KGCFXKYMVXZDOU-FQEVSTJZSA-N 2 0 376.589 3.014 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000170903119 1425385531 /nfs/dbraw/zinc/38/55/31/1425385531.db2.gz DRGRJXUNCVUQHZ-QFIPXVFZSA-N 2 0 380.536 3.245 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000171131594 1425497588 /nfs/dbraw/zinc/49/75/88/1425497588.db2.gz KSCPKHJBZPSHJL-QGZVFWFLSA-N 2 0 390.549 3.271 20 0 GGADRP Cc1nccn1C[C@@H](C)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171215741 1425544203 /nfs/dbraw/zinc/54/42/03/1425544203.db2.gz CRBRHCOJJBSXAG-FQEVSTJZSA-N 2 0 397.567 3.178 20 0 GGADRP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000171303921 1425605537 /nfs/dbraw/zinc/60/55/37/1425605537.db2.gz BBMFBOAEBZUQJF-ROUUACIJSA-N 2 0 385.556 3.333 20 0 GGADRP C[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000171313699 1425612770 /nfs/dbraw/zinc/61/27/70/1425612770.db2.gz XQQAIYNAZFOSEQ-HXUWFJFHSA-N 2 0 386.584 3.272 20 0 GGADRP c1c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)nc2ccccn12 ZINC000171379580 1425649839 /nfs/dbraw/zinc/64/98/39/1425649839.db2.gz SBEXWVOWVYEIQU-UHFFFAOYSA-N 2 0 377.536 3.022 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171598085 1425753999 /nfs/dbraw/zinc/75/39/99/1425753999.db2.gz GRCVYTZMIZYNEE-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171598463 1425754040 /nfs/dbraw/zinc/75/40/40/1425754040.db2.gz DBNRYYKQAXHYSP-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620340 1425760203 /nfs/dbraw/zinc/76/02/03/1425760203.db2.gz HJLYNEHWQLBVGU-RBUKOAKNSA-N 2 0 378.586 3.401 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000171633261 1425766468 /nfs/dbraw/zinc/76/64/68/1425766468.db2.gz VEBTWXMQKYBQBS-OAQYLSRUSA-N 2 0 384.568 3.093 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171662238 1425780457 /nfs/dbraw/zinc/78/04/57/1425780457.db2.gz VMXDKVUANLVJHK-JOCHJYFZSA-N 2 0 386.584 3.318 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)CC1 ZINC000171767455 1425815341 /nfs/dbraw/zinc/81/53/41/1425815341.db2.gz ZWBCYWMHOWAQLI-INIZCTEOSA-N 2 0 394.535 3.143 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000172245109 1425963524 /nfs/dbraw/zinc/96/35/24/1425963524.db2.gz HXDNNKCBPHVISJ-JOCHJYFZSA-N 2 0 380.536 3.245 20 0 GGADRP CSCC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000172432933 1426042122 /nfs/dbraw/zinc/04/21/22/1426042122.db2.gz OIZNAOZRSKXUJL-GOSISDBHSA-N 2 0 377.598 3.149 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000172517809 1426068227 /nfs/dbraw/zinc/06/82/27/1426068227.db2.gz MUFZQUHCYOUWOA-FQEVSTJZSA-N 2 0 376.520 3.088 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000172549388 1426083046 /nfs/dbraw/zinc/08/30/46/1426083046.db2.gz AIJQEDCDDDNDKZ-JOCHJYFZSA-N 2 0 398.595 3.483 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000172556842 1426085682 /nfs/dbraw/zinc/08/56/82/1426085682.db2.gz JOKAFAQNGCWCAK-FQEVSTJZSA-N 2 0 376.520 3.088 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172652082 1426128106 /nfs/dbraw/zinc/12/81/06/1426128106.db2.gz GCXWACZKQGUIFB-UHFFFAOYSA-N 2 0 399.583 3.229 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000172655035 1426129268 /nfs/dbraw/zinc/12/92/68/1426129268.db2.gz WGBRITPOJCVMPH-MRXNPFEDSA-N 2 0 384.471 3.168 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000173323607 1426505864 /nfs/dbraw/zinc/50/58/64/1426505864.db2.gz GZKORVOZBUCXRA-FYYLOGMGSA-N 2 0 394.563 3.453 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325677 1426507423 /nfs/dbraw/zinc/50/74/23/1426507423.db2.gz MQZBDORQPDUTDS-OTWHNJEPSA-N 2 0 395.613 3.346 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000173335304 1426516506 /nfs/dbraw/zinc/51/65/06/1426516506.db2.gz QGLKAVQHKPHRCU-GOSISDBHSA-N 2 0 383.536 3.302 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000173349491 1426527296 /nfs/dbraw/zinc/52/72/96/1426527296.db2.gz NUZOLTJLQHXJII-MOPGFXCFSA-N 2 0 376.545 3.180 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000173402395 1426585498 /nfs/dbraw/zinc/58/54/98/1426585498.db2.gz FLJQJWAVCJWNCY-CEXWTWQISA-N 2 0 390.597 3.399 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)cc1Cl ZINC000173494863 1426666510 /nfs/dbraw/zinc/66/65/10/1426666510.db2.gz QNRIYNHHRLVXEU-HNNXBMFYSA-N 2 0 395.931 3.104 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173503645 1426672344 /nfs/dbraw/zinc/67/23/44/1426672344.db2.gz GFQDLIDRHVHZGW-UHFFFAOYSA-N 2 0 399.535 3.211 20 0 GGADRP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC1CC[NH+](Cc3ccc(Cl)cc3)CC1)C2 ZINC000173558310 1426729563 /nfs/dbraw/zinc/72/95/63/1426729563.db2.gz UPVHKJNVCONNCT-VQTJNVASSA-N 2 0 390.959 3.183 20 0 GGADRP C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[NH+]1CCCCCC1 ZINC000173570763 1426737751 /nfs/dbraw/zinc/73/77/51/1426737751.db2.gz VLWMVKSIKDOLFV-VQTJNVASSA-N 2 0 387.568 3.267 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570831 1426738549 /nfs/dbraw/zinc/73/85/49/1426738549.db2.gz VLWMVKSIKDOLFV-WOJBJXKFSA-N 2 0 387.568 3.267 20 0 GGADRP C(=C/CN1CC[C@H](C[NH+]2CCCCC2)C1)\CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173602973 1426774251 /nfs/dbraw/zinc/77/42/51/1426774251.db2.gz IDIBDCILPUSWHZ-XMUPPXAMSA-N 2 0 388.644 3.158 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000173643461 1426807969 /nfs/dbraw/zinc/80/79/69/1426807969.db2.gz UBDYOSQVBBWBDJ-JOCHJYFZSA-N 2 0 387.568 3.459 20 0 GGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000173792891 1426852679 /nfs/dbraw/zinc/85/26/79/1426852679.db2.gz GPBZNZGYJKQCKR-OAHLLOKOSA-N 2 0 397.947 3.350 20 0 GGADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000173895413 1426883653 /nfs/dbraw/zinc/88/36/53/1426883653.db2.gz HOJWOZCGAZUHSP-IBGZPJMESA-N 2 0 383.540 3.091 20 0 GGADRP CC[NH+](C)C[C@H]1CCN(Cc2ccc(CN3CC[C@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000173921875 1426892736 /nfs/dbraw/zinc/89/27/36/1426892736.db2.gz HJADEWMYNFNGKX-DNQXCXABSA-N 2 0 386.628 3.234 20 0 GGADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000173942921 1426902217 /nfs/dbraw/zinc/90/22/17/1426902217.db2.gz CRAHTOOPQUOMOR-UHFFFAOYSA-N 2 0 398.555 3.142 20 0 GGADRP CN(C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000173952932 1426906769 /nfs/dbraw/zinc/90/67/69/1426906769.db2.gz GIOSFQMVQJWRDC-HSZRJFAPSA-N 2 0 399.579 3.099 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000173953050 1426907379 /nfs/dbraw/zinc/90/73/79/1426907379.db2.gz RQFGVKHQADNZRP-QGZVFWFLSA-N 2 0 393.959 3.094 20 0 GGADRP O=C(c1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1)N1CCCCC1 ZINC000173960359 1426911116 /nfs/dbraw/zinc/91/11/16/1426911116.db2.gz DZMZUPZWKGMEGW-UHFFFAOYSA-N 2 0 399.579 3.390 20 0 GGADRP O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961900 1426911962 /nfs/dbraw/zinc/91/19/62/1426911962.db2.gz ZSRMGISZSHMRBA-JOCHJYFZSA-N 2 0 398.547 3.156 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000173964254 1426912985 /nfs/dbraw/zinc/91/29/85/1426912985.db2.gz QYSWTEDGNFFEOF-SFTDATJTSA-N 2 0 384.568 3.024 20 0 GGADRP COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000173976995 1426921886 /nfs/dbraw/zinc/92/18/86/1426921886.db2.gz FALRUHRPWHKSCY-HXUWFJFHSA-N 2 0 381.520 3.478 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174148119 1427021184 /nfs/dbraw/zinc/02/11/84/1427021184.db2.gz LEIVRLHGHRSNDO-HXUWFJFHSA-N 2 0 384.568 3.087 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174148133 1427021595 /nfs/dbraw/zinc/02/15/95/1427021595.db2.gz LEIVRLHGHRSNDO-FQEVSTJZSA-N 2 0 384.568 3.087 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157045 1427024700 /nfs/dbraw/zinc/02/47/00/1427024700.db2.gz PPVQWHYHNHNDER-MJGOQNOKSA-N 2 0 378.586 3.258 20 0 GGADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)on1 ZINC000174156354 1427024902 /nfs/dbraw/zinc/02/49/02/1427024902.db2.gz JFTRPZJPUBVNJI-MRXNPFEDSA-N 2 0 382.464 3.325 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000174216756 1427055126 /nfs/dbraw/zinc/05/51/26/1427055126.db2.gz FUBBZPPSZJIICQ-IRLDBZIGSA-N 2 0 384.568 3.259 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174217672 1427055758 /nfs/dbraw/zinc/05/57/58/1427055758.db2.gz IFBKMLUDAIFCEG-RBUKOAKNSA-N 2 0 390.597 3.087 20 0 GGADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174238111 1427064444 /nfs/dbraw/zinc/06/44/44/1427064444.db2.gz QKYLQQJXSQKTPD-UHFFFAOYSA-N 2 0 391.581 3.314 20 0 GGADRP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCCCC1CCCCC1 ZINC000174238414 1427064997 /nfs/dbraw/zinc/06/49/97/1427064997.db2.gz WDPGNXQNQMKKRQ-UHFFFAOYSA-N 2 0 379.589 3.040 20 0 GGADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000174240465 1427065183 /nfs/dbraw/zinc/06/51/83/1427065183.db2.gz TVVOYFMPXKRVLY-UHFFFAOYSA-N 2 0 399.579 3.063 20 0 GGADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241763 1427065497 /nfs/dbraw/zinc/06/54/97/1427065497.db2.gz SQWPATRNPQQUJC-SFHVURJKSA-N 2 0 396.535 3.139 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000174345237 1427111993 /nfs/dbraw/zinc/11/19/93/1427111993.db2.gz DXWDFQQIKPBDGL-JOCHJYFZSA-N 2 0 386.584 3.414 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400596 1427140029 /nfs/dbraw/zinc/14/00/29/1427140029.db2.gz XJIOVRWWIXCLCG-IBGZPJMESA-N 2 0 395.503 3.198 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401404 1427140338 /nfs/dbraw/zinc/14/03/38/1427140338.db2.gz XRVLCCXOJXCFMJ-HXUWFJFHSA-N 2 0 397.588 3.477 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401386 1427140616 /nfs/dbraw/zinc/14/06/16/1427140616.db2.gz XRVLCCXOJXCFMJ-FQEVSTJZSA-N 2 0 397.588 3.477 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000174455575 1427163531 /nfs/dbraw/zinc/16/35/31/1427163531.db2.gz KWOCVVQUDZGGAV-IBGZPJMESA-N 2 0 392.613 3.476 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174455356 1427163813 /nfs/dbraw/zinc/16/38/13/1427163813.db2.gz SYIAUBJSGROVKA-IBGZPJMESA-N 2 0 392.613 3.333 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(-c2ccccc2)nc1C ZINC000174458156 1427165363 /nfs/dbraw/zinc/16/53/63/1427165363.db2.gz ZFVDOFKHTPEHFW-LJQANCHMSA-N 2 0 384.524 3.138 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000174460124 1427165991 /nfs/dbraw/zinc/16/59/91/1427165991.db2.gz AONJKVFGYXACIR-OALUTQOASA-N 2 0 392.613 3.333 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000174485383 1427177028 /nfs/dbraw/zinc/17/70/28/1427177028.db2.gz RAAXCUOCKOKDEZ-QFIPXVFZSA-N 2 0 384.568 3.215 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174525123 1427203748 /nfs/dbraw/zinc/20/37/48/1427203748.db2.gz WJJYFYGOTJDBTQ-OAQYLSRUSA-N 2 0 386.584 3.414 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)CC1 ZINC000174545373 1427215847 /nfs/dbraw/zinc/21/58/47/1427215847.db2.gz OLCWNIBGKMITPH-HNNXBMFYSA-N 2 0 399.366 3.034 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000174568198 1427228531 /nfs/dbraw/zinc/22/85/31/1427228531.db2.gz HXFMMUOFAYEEQR-MOPGFXCFSA-N 2 0 376.545 3.098 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000174680429 1427305926 /nfs/dbraw/zinc/30/59/26/1427305926.db2.gz SXJPZVXPVRMPKC-YADHBBJMSA-N 2 0 384.568 3.297 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000174689435 1427310862 /nfs/dbraw/zinc/31/08/62/1427310862.db2.gz WMFFRIPTVICOCC-NRFANRHFSA-N 2 0 386.584 3.413 20 0 GGADRP Cc1cc2oc(=O)cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)c2cc1C(C)C ZINC000174713563 1427325241 /nfs/dbraw/zinc/32/52/41/1427325241.db2.gz QRSAWSFEWSOMPA-UHFFFAOYSA-N 2 0 385.552 3.294 20 0 GGADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715888 1427327454 /nfs/dbraw/zinc/32/74/54/1427327454.db2.gz SUXKLQJLQSXIFB-HXUWFJFHSA-N 2 0 394.563 3.250 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000174729747 1427335358 /nfs/dbraw/zinc/33/53/58/1427335358.db2.gz WXQGQAIYLGIINB-UHFFFAOYSA-N 2 0 380.536 3.008 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174803768 1427378400 /nfs/dbraw/zinc/37/84/00/1427378400.db2.gz PFHGHKRQAXGNAB-LJQANCHMSA-N 2 0 386.584 3.459 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000174850491 1427405553 /nfs/dbraw/zinc/40/55/53/1427405553.db2.gz VMMPVFIYGDQRQM-LJQANCHMSA-N 2 0 387.568 3.123 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000174960150 1427467556 /nfs/dbraw/zinc/46/75/56/1427467556.db2.gz USFUKVLTOMXWEN-HXUWFJFHSA-N 2 0 397.567 3.481 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ncsc2c1 ZINC000174963211 1427469091 /nfs/dbraw/zinc/46/90/91/1427469091.db2.gz UICGNDRDYATQJV-MRXNPFEDSA-N 2 0 375.542 3.176 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000175038686 1427513321 /nfs/dbraw/zinc/51/33/21/1427513321.db2.gz NLYWNUONGBCRAZ-JOCHJYFZSA-N 2 0 387.568 3.082 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000175264927 1427633792 /nfs/dbraw/zinc/63/37/92/1427633792.db2.gz XELJZQZVTCUIPF-OAQYLSRUSA-N 2 0 391.556 3.139 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175515524 1427800484 /nfs/dbraw/zinc/80/04/84/1427800484.db2.gz BEBMQAHPMMBXLC-UHFFFAOYSA-N 2 0 384.568 3.357 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000175537622 1427807782 /nfs/dbraw/zinc/80/77/82/1427807782.db2.gz BESKRZXIEUYIKY-FQEVSTJZSA-N 2 0 376.520 3.135 20 0 GGADRP COc1cccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC000175537803 1427808120 /nfs/dbraw/zinc/80/81/20/1427808120.db2.gz TXAWBJHCVWCNJO-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000175539960 1427808631 /nfs/dbraw/zinc/80/86/31/1427808631.db2.gz FBXVYSJUJMSQEL-DYXWJJEUSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175629389 1427837914 /nfs/dbraw/zinc/83/79/14/1427837914.db2.gz LAWZJARWWBXULQ-BAGYTPMASA-N 2 0 384.568 3.309 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175632477 1427838267 /nfs/dbraw/zinc/83/82/67/1427838267.db2.gz STNZSXQEGHTJMS-FCEUIQTBSA-N 2 0 384.568 3.167 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000175634297 1427838723 /nfs/dbraw/zinc/83/87/23/1427838723.db2.gz SXAJUAGIMYUQSR-NRFANRHFSA-N 2 0 390.572 3.491 20 0 GGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000175636668 1427839806 /nfs/dbraw/zinc/83/98/06/1427839806.db2.gz JFDNXYGTVJCDLU-NRFANRHFSA-N 2 0 384.568 3.357 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000175658964 1427847438 /nfs/dbraw/zinc/84/74/38/1427847438.db2.gz HVRILFLYNYDBTC-HXUWFJFHSA-N 2 0 376.520 3.135 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000175712481 1427867320 /nfs/dbraw/zinc/86/73/20/1427867320.db2.gz FGJYJWBHPOPAIF-FQEVSTJZSA-N 2 0 388.556 3.431 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175761669 1427882582 /nfs/dbraw/zinc/88/25/82/1427882582.db2.gz AWFDXQCWVUAEDB-UXHICEINSA-N 2 0 390.572 3.079 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000175770930 1427887072 /nfs/dbraw/zinc/88/70/72/1427887072.db2.gz CFPLMSZMDICGKT-HXUWFJFHSA-N 2 0 390.597 3.226 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176015781 1428028505 /nfs/dbraw/zinc/02/85/05/1428028505.db2.gz HMQOTIMDUSEVBO-NRFANRHFSA-N 2 0 376.589 3.205 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176019528 1428030069 /nfs/dbraw/zinc/03/00/69/1428030069.db2.gz ZIGRQQAJZORKSE-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176044471 1428046972 /nfs/dbraw/zinc/04/69/72/1428046972.db2.gz PGXHMZVIDYDFBQ-OKZBNKHCSA-N 2 0 378.586 3.132 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176129106 1428101961 /nfs/dbraw/zinc/10/19/61/1428101961.db2.gz UZJMZEBCIXYLID-QZTJIDSGSA-N 2 0 378.586 3.086 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176139986 1428113357 /nfs/dbraw/zinc/11/33/57/1428113357.db2.gz ZMYITHFYAXNLRT-OAQYLSRUSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180242236 1429813002 /nfs/dbraw/zinc/81/30/02/1429813002.db2.gz RJRFJYLRKPTFBE-UHFFFAOYSA-N 2 0 387.572 3.202 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180293578 1429827233 /nfs/dbraw/zinc/82/72/33/1429827233.db2.gz SBBXCTJRMCGYQC-QHCPKHFHSA-N 2 0 392.547 3.469 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180308372 1429832234 /nfs/dbraw/zinc/83/22/34/1429832234.db2.gz KMRMJXRORFABQE-UHFFFAOYSA-N 2 0 387.572 3.109 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000180312671 1429833392 /nfs/dbraw/zinc/83/33/92/1429833392.db2.gz DBMGERDWVRDHNH-NCXUSEDFSA-N 2 0 383.577 3.159 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000180312260 1429833426 /nfs/dbraw/zinc/83/34/26/1429833426.db2.gz XKOCSEAXMFSBFJ-YXWAVELNSA-N 2 0 383.577 3.301 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000180312271 1429833592 /nfs/dbraw/zinc/83/35/92/1429833592.db2.gz XKOCSEAXMFSBFJ-YYZRRKBYSA-N 2 0 383.577 3.301 20 0 GGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180313225 1429833822 /nfs/dbraw/zinc/83/38/22/1429833822.db2.gz CQWCOOUQIHPWML-SFHVURJKSA-N 2 0 387.572 3.108 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000180320857 1429835446 /nfs/dbraw/zinc/83/54/46/1429835446.db2.gz CODJSUONUPOQQM-UHFFFAOYSA-N 2 0 399.583 3.252 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)CC3 ZINC000180342199 1429840430 /nfs/dbraw/zinc/84/04/30/1429840430.db2.gz OUMIBOCUGNSJII-LJQANCHMSA-N 2 0 380.580 3.482 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)CC3 ZINC000180342180 1429840450 /nfs/dbraw/zinc/84/04/50/1429840450.db2.gz OUMIBOCUGNSJII-IBGZPJMESA-N 2 0 380.580 3.482 20 0 GGADRP CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000180449175 1429871695 /nfs/dbraw/zinc/87/16/95/1429871695.db2.gz DCHYEPZDMFRUMQ-QGZVFWFLSA-N 2 0 385.508 3.315 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633466 1429945090 /nfs/dbraw/zinc/94/50/90/1429945090.db2.gz CNBAEKGGFYSOPR-ROUUACIJSA-N 2 0 376.589 3.429 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000180708426 1429990981 /nfs/dbraw/zinc/99/09/81/1429990981.db2.gz NFSYDHHQQQYBLI-QFIPXVFZSA-N 2 0 396.535 3.027 20 0 GGADRP O=C(NCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C(F)(F)F ZINC000180723121 1430000963 /nfs/dbraw/zinc/00/09/63/1430000963.db2.gz YSSZNDGMILAXEO-ROUUACIJSA-N 2 0 383.458 3.042 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000180739150 1430009900 /nfs/dbraw/zinc/00/99/00/1430009900.db2.gz VTRHGOLCIIBOFF-FQEVSTJZSA-N 2 0 389.584 3.313 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180738988 1430009911 /nfs/dbraw/zinc/00/99/11/1430009911.db2.gz LVDCTXTUASHKDE-HXUWFJFHSA-N 2 0 389.584 3.313 20 0 GGADRP CCC[C@H](C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000180765450 1430027399 /nfs/dbraw/zinc/02/73/99/1430027399.db2.gz OYAQFSCOZVRNOV-AHRSYUTCSA-N 2 0 390.572 3.263 20 0 GGADRP CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)ncn1 ZINC000180776644 1430032871 /nfs/dbraw/zinc/03/28/71/1430032871.db2.gz KLGSREARLREJOQ-GHTZIAJQSA-N 2 0 397.567 3.299 20 0 GGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000180837792 1430064202 /nfs/dbraw/zinc/06/42/02/1430064202.db2.gz ZTQVCTODZXLDPH-ZYKFHVCXSA-N 2 0 395.588 3.180 20 0 GGADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)n2)ccc1O ZINC000180865355 1430076302 /nfs/dbraw/zinc/07/63/02/1430076302.db2.gz FBXKTNYYVGZLGL-NVXWUHKLSA-N 2 0 388.512 3.236 20 0 GGADRP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180974451 1430145668 /nfs/dbraw/zinc/14/56/68/1430145668.db2.gz KIUOJUHGFCGITO-SFHVURJKSA-N 2 0 381.520 3.372 20 0 GGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000180975224 1430146011 /nfs/dbraw/zinc/14/60/11/1430146011.db2.gz UBMMXGRMNBAXAO-HNNXBMFYSA-N 2 0 386.565 3.436 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000180975161 1430146216 /nfs/dbraw/zinc/14/62/16/1430146216.db2.gz PSKUDSJHNNXXKW-GOSISDBHSA-N 2 0 393.531 3.298 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)CCO2 ZINC000180996337 1430158077 /nfs/dbraw/zinc/15/80/77/1430158077.db2.gz BHQOYAHHJWEFLL-OAQYLSRUSA-N 2 0 381.520 3.154 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1N(C)C ZINC000180998175 1430159259 /nfs/dbraw/zinc/15/92/59/1430159259.db2.gz SXEIGSAZNHQBGE-INIZCTEOSA-N 2 0 386.515 3.034 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC3 ZINC000181034898 1430178494 /nfs/dbraw/zinc/17/84/94/1430178494.db2.gz OCGGAVNNMXRQQE-SFHVURJKSA-N 2 0 378.520 3.459 20 0 GGADRP C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181151867 1430228919 /nfs/dbraw/zinc/22/89/19/1430228919.db2.gz QXOLVLABQUEFMP-SFHVURJKSA-N 2 0 397.519 3.093 20 0 GGADRP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000181288118 1430263281 /nfs/dbraw/zinc/26/32/81/1430263281.db2.gz MIHYFWXEMVZHRQ-FXAWDEMLSA-N 2 0 397.519 3.092 20 0 GGADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000181288161 1430263395 /nfs/dbraw/zinc/26/33/95/1430263395.db2.gz MIHYFWXEMVZHRQ-PXNSSMCTSA-N 2 0 397.519 3.092 20 0 GGADRP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000181288177 1430263458 /nfs/dbraw/zinc/26/34/58/1430263458.db2.gz MIHYFWXEMVZHRQ-XLIONFOSSA-N 2 0 397.519 3.092 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181410989 1430291062 /nfs/dbraw/zinc/29/10/62/1430291062.db2.gz ANWHWFBBCHEZRV-WTOYTKOKSA-N 2 0 385.552 3.232 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414421 1430291944 /nfs/dbraw/zinc/29/19/44/1430291944.db2.gz VIXWHEDKERUVPB-YSZBQJHXSA-N 3 0 389.584 3.046 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181414025 1430292147 /nfs/dbraw/zinc/29/21/47/1430292147.db2.gz DTPOUCLTEWPRBV-LEOXJPRUSA-N 3 0 389.584 3.046 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000181431379 1430297183 /nfs/dbraw/zinc/29/71/83/1430297183.db2.gz NMIIGCHMYOJYOV-NQIIRXRSSA-N 2 0 383.536 3.259 20 0 GGADRP CC(C)[NH+](CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000181494428 1430310505 /nfs/dbraw/zinc/31/05/05/1430310505.db2.gz LALJHAPSVHAIMI-UHFFFAOYSA-N 2 0 389.588 3.448 20 0 GGADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)oc21 ZINC000181516522 1430313856 /nfs/dbraw/zinc/31/38/56/1430313856.db2.gz OIKIDIXSBZMKMC-INIZCTEOSA-N 2 0 380.492 3.439 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000181518901 1430314150 /nfs/dbraw/zinc/31/41/50/1430314150.db2.gz QBPCILDHEGQLQQ-ROUUACIJSA-N 2 0 391.556 3.379 20 0 GGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181531814 1430316392 /nfs/dbraw/zinc/31/63/92/1430316392.db2.gz GIQIUUCGNQRQRJ-ZRBLBEILSA-N 2 0 385.596 3.378 20 0 GGADRP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1 ZINC000181536925 1430317109 /nfs/dbraw/zinc/31/71/09/1430317109.db2.gz JKLDKRXSNXRFGT-INIZCTEOSA-N 2 0 385.533 3.230 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C)c2ccccc2)CC1 ZINC000181626710 1430330135 /nfs/dbraw/zinc/33/01/35/1430330135.db2.gz SELFAEWMAJPXDU-GOSISDBHSA-N 2 0 398.526 3.281 20 0 GGADRP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181627253 1430330171 /nfs/dbraw/zinc/33/01/71/1430330171.db2.gz IEDNIPBCBUKKJL-SJORKVTESA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000181629510 1430330998 /nfs/dbraw/zinc/33/09/98/1430330998.db2.gz BISGLTHZITUBBB-IAGOWNOFSA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCC2)CC1 ZINC000181631682 1430331181 /nfs/dbraw/zinc/33/11/81/1430331181.db2.gz RBTBQPKIUKMXBF-IAGOWNOFSA-N 2 0 390.547 3.066 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000181631653 1430331199 /nfs/dbraw/zinc/33/11/99/1430331199.db2.gz RBTBQPKIUKMXBF-SJORKVTESA-N 2 0 390.547 3.066 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000181634722 1430331966 /nfs/dbraw/zinc/33/19/66/1430331966.db2.gz GUQFQBZQLKVNCO-PXNSSMCTSA-N 2 0 390.547 3.018 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000181643865 1430333792 /nfs/dbraw/zinc/33/37/92/1430333792.db2.gz FHMYZQUUBQUGMK-SBUREZEXSA-N 2 0 396.510 3.223 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000181664175 1430337860 /nfs/dbraw/zinc/33/78/60/1430337860.db2.gz VTIQHAVEOBVALL-KKXNLOMOSA-N 2 0 393.597 3.288 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000181675783 1430339835 /nfs/dbraw/zinc/33/98/35/1430339835.db2.gz PYTWQHZOZVWVBQ-OALUTQOASA-N 2 0 393.616 3.092 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000181813231 1430365709 /nfs/dbraw/zinc/36/57/09/1430365709.db2.gz KPIVHVMIOZVKCD-FPOVZHCZSA-N 2 0 395.547 3.326 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000181813294 1430365855 /nfs/dbraw/zinc/36/58/55/1430365855.db2.gz KPIVHVMIOZVKCD-TZIWHRDSSA-N 2 0 395.547 3.326 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000181920248 1430383653 /nfs/dbraw/zinc/38/36/53/1430383653.db2.gz RLGJDZHUVTXMDM-IBGZPJMESA-N 2 0 380.536 3.113 20 0 GGADRP CN(c1ccccc1C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000181959560 1430388384 /nfs/dbraw/zinc/38/83/84/1430388384.db2.gz AAPGIQQWBRXHQP-FQEVSTJZSA-N 2 0 392.547 3.112 20 0 GGADRP CN(c1ccccc1C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000181959442 1430388490 /nfs/dbraw/zinc/38/84/90/1430388490.db2.gz AAPGIQQWBRXHQP-HXUWFJFHSA-N 2 0 392.547 3.112 20 0 GGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C12CCCCC2 ZINC000181975772 1430390917 /nfs/dbraw/zinc/39/09/17/1430390917.db2.gz OMYIWXMXTPXUGM-RTWAWAEBSA-N 2 0 387.568 3.196 20 0 GGADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000181990207 1430392552 /nfs/dbraw/zinc/39/25/52/1430392552.db2.gz SULMOWCMOINXEK-LJQANCHMSA-N 2 0 397.542 3.120 20 0 GGADRP CCC[NH+](CCC)CCCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182060587 1430404083 /nfs/dbraw/zinc/40/40/83/1430404083.db2.gz HAOWPEGIGACIBF-UHFFFAOYSA-N 2 0 375.557 3.484 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)C1CC[NH+](C)CC1 ZINC000182088994 1430409836 /nfs/dbraw/zinc/40/98/36/1430409836.db2.gz UIVDXCACFURKDC-FQEVSTJZSA-N 2 0 395.595 3.405 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182187074 1430426707 /nfs/dbraw/zinc/42/67/07/1430426707.db2.gz FSAYZIZHUNLNGV-IBGZPJMESA-N 2 0 375.557 3.054 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182242882 1430435860 /nfs/dbraw/zinc/43/58/60/1430435860.db2.gz SKJFNDSGNOFIDQ-GAJHUEQPSA-N 2 0 381.520 3.453 20 0 GGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c(C)n2n1 ZINC000182244582 1430436215 /nfs/dbraw/zinc/43/62/15/1430436215.db2.gz YJXJGXLQASWXJB-LAUBAEHRSA-N 2 0 393.535 3.154 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247137 1430436565 /nfs/dbraw/zinc/43/65/65/1430436565.db2.gz UVYNAUBBVGZJNP-DYESRHJHSA-N 2 0 382.504 3.265 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000182255440 1430437999 /nfs/dbraw/zinc/43/79/99/1430437999.db2.gz ZFMKMLBDZIHRQH-FGZHOGPDSA-N 2 0 384.568 3.298 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259085 1430438707 /nfs/dbraw/zinc/43/87/07/1430438707.db2.gz RNVLDLPOAWARMS-LEWJYISDSA-N 2 0 382.504 3.265 20 0 GGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266470 1430439636 /nfs/dbraw/zinc/43/96/36/1430439636.db2.gz CQDCPMVHNKRJOE-LEWJYISDSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182272002 1430440741 /nfs/dbraw/zinc/44/07/41/1430440741.db2.gz KULAYPASGQARJV-VGSWGCGISA-N 2 0 395.503 3.061 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272413 1430440771 /nfs/dbraw/zinc/44/07/71/1430440771.db2.gz BNJZKCNXLAWCRQ-UWJYYQICSA-N 2 0 382.504 3.265 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273095 1430441256 /nfs/dbraw/zinc/44/12/56/1430441256.db2.gz BBXPEYAVORSISE-SIKLNZKXSA-N 2 0 382.504 3.265 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182302317 1430445161 /nfs/dbraw/zinc/44/51/61/1430445161.db2.gz SGUIEGBXNZQKMC-UNMCSNQZSA-N 2 0 384.568 3.085 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182376142 1430455416 /nfs/dbraw/zinc/45/54/16/1430455416.db2.gz AYSAREHKFUXIAH-TZIWHRDSSA-N 2 0 386.584 3.461 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182376184 1430455469 /nfs/dbraw/zinc/45/54/69/1430455469.db2.gz AYSAREHKFUXIAH-CTNGQTDRSA-N 2 0 386.584 3.461 20 0 GGADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182409034 1430462318 /nfs/dbraw/zinc/46/23/18/1430462318.db2.gz IAAHUWHAGNLQBV-HSALFYBXSA-N 2 0 378.605 3.451 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000182430186 1430466366 /nfs/dbraw/zinc/46/63/66/1430466366.db2.gz LBKBJDCSOYJVDL-UIFIKXQLSA-N 2 0 378.582 3.364 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182442430 1430468414 /nfs/dbraw/zinc/46/84/14/1430468414.db2.gz QVWUTAMIELMHFK-UHFFFAOYSA-N 2 0 392.613 3.231 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182440246 1430468424 /nfs/dbraw/zinc/46/84/24/1430468424.db2.gz MRLOXZCZVKQNOF-RTBURBONSA-N 2 0 375.557 3.052 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182471968 1430473554 /nfs/dbraw/zinc/47/35/54/1430473554.db2.gz ASJKDXKRYWIISZ-YADHBBJMSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182546800 1430487986 /nfs/dbraw/zinc/48/79/86/1430487986.db2.gz PORBOAVREVCTPW-MDKPJZGXSA-N 2 0 390.547 3.381 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182631685 1430505594 /nfs/dbraw/zinc/50/55/94/1430505594.db2.gz OPXWRVSHHLIMLG-AABGKKOBSA-N 2 0 396.620 3.028 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182631705 1430505652 /nfs/dbraw/zinc/50/56/52/1430505652.db2.gz OPXWRVSHHLIMLG-ZCNNSNEGSA-N 2 0 396.620 3.028 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182630752 1430505781 /nfs/dbraw/zinc/50/57/81/1430505781.db2.gz CJJIAWSQBKJLNQ-HSZRJFAPSA-N 2 0 392.547 3.217 20 0 GGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182678906 1430515985 /nfs/dbraw/zinc/51/59/85/1430515985.db2.gz JUXWGAOLWHMVRL-DFQSSKMNSA-N 2 0 376.589 3.203 20 0 GGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182689878 1430518049 /nfs/dbraw/zinc/51/80/49/1430518049.db2.gz GIRVAHAKTUDLJP-MJGOQNOKSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@H](CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000182694247 1430519418 /nfs/dbraw/zinc/51/94/18/1430519418.db2.gz BSLATBVMHZURBK-RTWAWAEBSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182777873 1430538039 /nfs/dbraw/zinc/53/80/39/1430538039.db2.gz WCTDINLBYCMRQT-QUCCMNQESA-N 2 0 399.583 3.250 20 0 GGADRP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182777854 1430538254 /nfs/dbraw/zinc/53/82/54/1430538254.db2.gz WCTDINLBYCMRQT-ICSRJNTNSA-N 2 0 399.583 3.250 20 0 GGADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182850027 1430553678 /nfs/dbraw/zinc/55/36/78/1430553678.db2.gz XAYQVUGHZKWCMO-JOCHJYFZSA-N 2 0 390.474 3.399 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)ccc1OC ZINC000182856527 1430554594 /nfs/dbraw/zinc/55/45/94/1430554594.db2.gz WCNLFCDQOZWNOM-QGZVFWFLSA-N 2 0 375.557 3.446 20 0 GGADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000182884773 1430561899 /nfs/dbraw/zinc/56/18/99/1430561899.db2.gz ROIHWAOJMNLHLO-WOJBJXKFSA-N 2 0 399.000 3.497 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914049 1430570036 /nfs/dbraw/zinc/57/00/36/1430570036.db2.gz TUBUGNKQHRJHOS-MSOLQXFVSA-N 2 0 392.613 3.474 20 0 GGADRP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182951626 1430579441 /nfs/dbraw/zinc/57/94/41/1430579441.db2.gz XGUFRQSXJWUFNH-LJQANCHMSA-N 2 0 387.568 3.400 20 0 GGADRP Clc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cn2c1 ZINC000182952585 1430579673 /nfs/dbraw/zinc/57/96/73/1430579673.db2.gz RCYKNRYHPRCYTK-UHFFFAOYSA-N 2 0 376.932 3.312 20 0 GGADRP c1ccc(-c2noc(CC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000182965281 1430582011 /nfs/dbraw/zinc/58/20/11/1430582011.db2.gz DUVLJSCFLCDHFI-UHFFFAOYSA-N 2 0 384.524 3.104 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000182967575 1430582124 /nfs/dbraw/zinc/58/21/24/1430582124.db2.gz NEVKJZWETUNBTH-UHFFFAOYSA-N 2 0 392.632 3.050 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)ccc1OC ZINC000182967504 1430582303 /nfs/dbraw/zinc/58/23/03/1430582303.db2.gz IEIWQMZOWMIHIT-GOSISDBHSA-N 2 0 377.573 3.298 20 0 GGADRP c1ccc(-c2noc(CCC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000182967655 1430582638 /nfs/dbraw/zinc/58/26/38/1430582638.db2.gz RUWICNPTORRRFB-UHFFFAOYSA-N 2 0 398.551 3.494 20 0 GGADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182967824 1430582669 /nfs/dbraw/zinc/58/26/69/1430582669.db2.gz OWDOOOWDVYFIQB-HXUWFJFHSA-N 2 0 387.568 3.455 20 0 GGADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975072 1430583559 /nfs/dbraw/zinc/58/35/59/1430583559.db2.gz QJXUDURPRVNGIQ-SFHVURJKSA-N 2 0 391.531 3.286 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000182983810 1430585352 /nfs/dbraw/zinc/58/53/52/1430585352.db2.gz ISMBCHJVLISKIC-DEOSSOPVSA-N 2 0 399.579 3.078 20 0 GGADRP COCCC[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135906 1430625549 /nfs/dbraw/zinc/62/55/49/1430625549.db2.gz FZZGPPMUTWQUDF-OEMFJLHTSA-N 2 0 385.596 3.378 20 0 GGADRP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183214737 1430650181 /nfs/dbraw/zinc/65/01/81/1430650181.db2.gz PHVDWQUBQHBVFT-KRWDZBQOSA-N 2 0 375.557 3.494 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226488 1430652848 /nfs/dbraw/zinc/65/28/48/1430652848.db2.gz SUVKOIXCISOPSO-SJORKVTESA-N 2 0 377.529 3.275 20 0 GGADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000183326800 1430680380 /nfs/dbraw/zinc/68/03/80/1430680380.db2.gz FQZKRXBVISGCOG-XMMPIXPASA-N 2 0 381.564 3.474 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000183385894 1430697184 /nfs/dbraw/zinc/69/71/84/1430697184.db2.gz WRFYBGATXYHFOC-CQSZACIVSA-N 2 0 375.513 3.089 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000183396627 1430700920 /nfs/dbraw/zinc/70/09/20/1430700920.db2.gz BVQHXMXFQOWEQB-INIZCTEOSA-N 2 0 382.570 3.012 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1C[NH+]1CCCCC1 ZINC000183396708 1430701003 /nfs/dbraw/zinc/70/10/03/1430701003.db2.gz DLZLHGSTKANNAA-QGZVFWFLSA-N 2 0 394.581 3.157 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000183398696 1430701955 /nfs/dbraw/zinc/70/19/55/1430701955.db2.gz XYHKVLGQWCYJAE-INIZCTEOSA-N 2 0 383.492 3.042 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000183714448 1430779411 /nfs/dbraw/zinc/77/94/11/1430779411.db2.gz CVCVFSYZTOVMAY-UHFFFAOYSA-N 2 0 385.474 3.436 20 0 GGADRP Cc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000183739845 1430784770 /nfs/dbraw/zinc/78/47/70/1430784770.db2.gz ZTPXUWDUYLPWLP-GOSISDBHSA-N 2 0 376.545 3.321 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183819900 1430800907 /nfs/dbraw/zinc/80/09/07/1430800907.db2.gz XOAMDMSSESIUKL-WSTZPKSXSA-N 2 0 395.588 3.255 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000183952207 1430817578 /nfs/dbraw/zinc/81/75/78/1430817578.db2.gz FTLFZZSSTDIXIV-MRXNPFEDSA-N 2 0 377.529 3.133 20 0 GGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000184553410 1430903304 /nfs/dbraw/zinc/90/33/04/1430903304.db2.gz LNGRUKOGRFAZFZ-JOCHJYFZSA-N 2 0 386.584 3.317 20 0 GGADRP COc1ccc([C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000184628109 1430923304 /nfs/dbraw/zinc/92/33/04/1430923304.db2.gz SGKRDELRPQSXSQ-GGAORHGYSA-N 2 0 381.520 3.155 20 0 GGADRP CC1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184636399 1430925771 /nfs/dbraw/zinc/92/57/71/1430925771.db2.gz BYKDYZMVVYRDNJ-UHFFFAOYSA-N 2 0 391.559 3.463 20 0 GGADRP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000184670706 1430937515 /nfs/dbraw/zinc/93/75/15/1430937515.db2.gz YKSNBGJCLBUYRV-IXDOHACOSA-N 2 0 381.442 3.023 20 0 GGADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184671177 1430938048 /nfs/dbraw/zinc/93/80/48/1430938048.db2.gz FJNWQMUITADFHA-KRWDZBQOSA-N 2 0 383.458 3.269 20 0 GGADRP C[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184717620 1430951352 /nfs/dbraw/zinc/95/13/52/1430951352.db2.gz GGJRHNFYZYYRNM-QZTJIDSGSA-N 2 0 378.586 3.449 20 0 GGADRP C[C@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184717579 1430951501 /nfs/dbraw/zinc/95/15/01/1430951501.db2.gz GGJRHNFYZYYRNM-MSOLQXFVSA-N 2 0 378.586 3.449 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1 ZINC000184901408 1431017082 /nfs/dbraw/zinc/01/70/82/1431017082.db2.gz ARBKMRRWHHTGQO-IBGZPJMESA-N 2 0 387.572 3.024 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000184903581 1431017685 /nfs/dbraw/zinc/01/76/85/1431017685.db2.gz CVZRVBTTZGMFMO-LJQANCHMSA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2)CC1 ZINC000184914772 1431020103 /nfs/dbraw/zinc/02/01/03/1431020103.db2.gz PSJVJYGAGHKBTN-HXUWFJFHSA-N 2 0 389.588 3.316 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c2)CC1 ZINC000184914754 1431020123 /nfs/dbraw/zinc/02/01/23/1431020123.db2.gz PSJVJYGAGHKBTN-FQEVSTJZSA-N 2 0 389.588 3.316 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)CC1 ZINC000184915822 1431020158 /nfs/dbraw/zinc/02/01/58/1431020158.db2.gz YYOWMIJXLIZBIA-UHFFFAOYSA-N 2 0 399.583 3.357 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921253 1431021938 /nfs/dbraw/zinc/02/19/38/1431021938.db2.gz XFMUKDRCZJLAOF-OAQYLSRUSA-N 2 0 399.583 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)c2)CC1 ZINC000184922151 1431022099 /nfs/dbraw/zinc/02/20/99/1431022099.db2.gz NUKOAYOUWCBZOU-UHFFFAOYSA-N 2 0 387.572 3.070 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000184923706 1431022397 /nfs/dbraw/zinc/02/23/97/1431022397.db2.gz OCFSSZLJAJZZLC-UHFFFAOYSA-N 2 0 395.551 3.082 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c2)CC1 ZINC000184925153 1431022883 /nfs/dbraw/zinc/02/28/83/1431022883.db2.gz ZLXXUGYAWZSJEU-UHFFFAOYSA-N 2 0 389.588 3.459 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccco3)c2)CC1 ZINC000184926433 1431023271 /nfs/dbraw/zinc/02/32/71/1431023271.db2.gz VWCOYIUAZQEWMW-UHFFFAOYSA-N 2 0 399.539 3.017 20 0 GGADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184927926 1431023390 /nfs/dbraw/zinc/02/33/90/1431023390.db2.gz MUBLBTDBCXZQTF-UHFFFAOYSA-N 2 0 389.588 3.414 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000185026515 1431044367 /nfs/dbraw/zinc/04/43/67/1431044367.db2.gz XXDGQIACONIPNJ-PKOBYXMFSA-N 2 0 376.545 3.289 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000185136374 1431070026 /nfs/dbraw/zinc/07/00/26/1431070026.db2.gz HOXHTAKZVZQFED-LJQANCHMSA-N 2 0 378.948 3.213 20 0 GGADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)ccc1O ZINC000185210487 1431085604 /nfs/dbraw/zinc/08/56/04/1431085604.db2.gz QVMRJEKZDIYCHS-QGZVFWFLSA-N 2 0 384.362 3.223 20 0 GGADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1(C)C ZINC000185242788 1431092335 /nfs/dbraw/zinc/09/23/35/1431092335.db2.gz SHEZUKZECIFXMQ-RTWAWAEBSA-N 2 0 387.568 3.194 20 0 GGADRP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000185291535 1431101378 /nfs/dbraw/zinc/10/13/78/1431101378.db2.gz PTDSZMDPWHMDLT-UHFFFAOYSA-N 2 0 398.551 3.460 20 0 GGADRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000185322104 1431113385 /nfs/dbraw/zinc/11/33/85/1431113385.db2.gz XTJLOLGGTHXZRS-SFHVURJKSA-N 2 0 389.883 3.495 20 0 GGADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000185322149 1431113656 /nfs/dbraw/zinc/11/36/56/1431113656.db2.gz VKMHNCGGWSUGEH-UTKZUKDTSA-N 2 0 386.511 3.369 20 0 GGADRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000185322178 1431113877 /nfs/dbraw/zinc/11/38/77/1431113877.db2.gz YWCWNPYUSFMYID-KRWDZBQOSA-N 2 0 375.856 3.105 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1O ZINC000185352801 1431123277 /nfs/dbraw/zinc/12/32/77/1431123277.db2.gz IKKABTSCECRCOF-CQSZACIVSA-N 2 0 384.362 3.079 20 0 GGADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000185467876 1431151877 /nfs/dbraw/zinc/15/18/77/1431151877.db2.gz GROVCANPHKPBOB-UHFFFAOYSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000185545209 1431168132 /nfs/dbraw/zinc/16/81/32/1431168132.db2.gz ZZXBNQKJYXHVMI-PGRDOPGGSA-N 2 0 393.531 3.053 20 0 GGADRP C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185723991 1431216046 /nfs/dbraw/zinc/21/60/46/1431216046.db2.gz CBFYSAHZDCWYIS-ZWKOTPCHSA-N 2 0 394.581 3.102 20 0 GGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761144 1431227251 /nfs/dbraw/zinc/22/72/51/1431227251.db2.gz FYDFOTOHFTWOOG-QKNQBKEWSA-N 2 0 384.568 3.257 20 0 GGADRP COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000185880715 1431261634 /nfs/dbraw/zinc/26/16/34/1431261634.db2.gz WFJCDDKEYUROAN-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000185888843 1431264246 /nfs/dbraw/zinc/26/42/46/1431264246.db2.gz GHLYMCCUDRIIEX-UHFFFAOYSA-N 2 0 376.545 3.455 20 0 GGADRP CCOc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000185894867 1431267765 /nfs/dbraw/zinc/26/77/65/1431267765.db2.gz VJJUYLYMKBIWGU-UHFFFAOYSA-N 2 0 383.964 3.253 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000185896975 1431268811 /nfs/dbraw/zinc/26/88/11/1431268811.db2.gz NVXIVGOULDMZJR-UHFFFAOYSA-N 2 0 391.453 3.273 20 0 GGADRP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000185904850 1431272746 /nfs/dbraw/zinc/27/27/46/1431272746.db2.gz CWPVBYBSTNTYOV-OAQYLSRUSA-N 2 0 385.939 3.238 20 0 GGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186108504 1431332085 /nfs/dbraw/zinc/33/20/85/1431332085.db2.gz JPNAFTKIUYNLGJ-UNMCSNQZSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Br)ccc1O ZINC000186197128 1431350343 /nfs/dbraw/zinc/35/03/43/1431350343.db2.gz XSXJOMMRWYOJEJ-CYBMUJFWSA-N 2 0 394.313 3.341 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000186579588 1431459525 /nfs/dbraw/zinc/45/95/25/1431459525.db2.gz AHHUBELFMKTOQA-WOJBJXKFSA-N 2 0 383.584 3.474 20 0 GGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000186751751 1431508164 /nfs/dbraw/zinc/50/81/64/1431508164.db2.gz VIHICFDCEBKXSF-SJORKVTESA-N 2 0 377.529 3.145 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000187010054 1431588925 /nfs/dbraw/zinc/58/89/25/1431588925.db2.gz VGESIBAHMISDCQ-MSOLQXFVSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187116851 1431620234 /nfs/dbraw/zinc/62/02/34/1431620234.db2.gz OSXONHTXHJKYOY-GOSISDBHSA-N 2 0 378.582 3.366 20 0 GGADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC000187464356 1431739221 /nfs/dbraw/zinc/73/92/21/1431739221.db2.gz BYCOVLVAMHXPNS-FQEVSTJZSA-N 2 0 384.923 3.337 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187956715 1431831029 /nfs/dbraw/zinc/83/10/29/1431831029.db2.gz KBZOXEIUEVAGOJ-PXNSSMCTSA-N 2 0 377.598 3.485 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188521277 1431891409 /nfs/dbraw/zinc/89/14/09/1431891409.db2.gz KYENEZBSKVERLM-UHFFFAOYSA-N 2 0 380.964 3.288 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000189236910 1432068975 /nfs/dbraw/zinc/06/89/75/1432068975.db2.gz LSBYEEGPJBBCAG-FQEVSTJZSA-N 2 0 387.568 3.011 20 0 GGADRP C[NH+](C)CC1(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCCC1 ZINC000189405602 1432099751 /nfs/dbraw/zinc/09/97/51/1432099751.db2.gz HMVCAHHNGKEVJF-UHFFFAOYSA-N 2 0 383.536 3.305 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000189681652 1432202034 /nfs/dbraw/zinc/20/20/34/1432202034.db2.gz QERNLMSISGYRBU-UHFFFAOYSA-N 2 0 376.545 3.275 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000189998222 1432301628 /nfs/dbraw/zinc/30/16/28/1432301628.db2.gz SKXVMCUTQCSJMB-VQIMIIECSA-N 2 0 388.508 3.446 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190071923 1432314400 /nfs/dbraw/zinc/31/44/00/1432314400.db2.gz CKFHPULDSZDPJH-VQIMIIECSA-N 2 0 398.954 3.455 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000190098153 1432319117 /nfs/dbraw/zinc/31/91/17/1432319117.db2.gz PIZIZCHZCWIOMF-IBGZPJMESA-N 2 0 376.545 3.324 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000190152970 1432329117 /nfs/dbraw/zinc/32/91/17/1432329117.db2.gz HGQLELFWNBAORV-IBGZPJMESA-N 2 0 376.545 3.242 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190937872 1432533498 /nfs/dbraw/zinc/53/34/98/1432533498.db2.gz ANLUVJNZCVZYRT-NRFANRHFSA-N 2 0 393.616 3.428 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000191007811 1432548605 /nfs/dbraw/zinc/54/86/05/1432548605.db2.gz HVCIDHITWDEUAV-UHFFFAOYSA-N 2 0 395.979 3.287 20 0 GGADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000191128982 1432573117 /nfs/dbraw/zinc/57/31/17/1432573117.db2.gz OKPVCEJPTGGXSJ-UHFFFAOYSA-N 2 0 390.572 3.031 20 0 GGADRP CC(C)(C)n1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000191283143 1432620199 /nfs/dbraw/zinc/62/01/99/1432620199.db2.gz PCIQRCCWCVCHPM-UHFFFAOYSA-N 2 0 385.556 3.194 20 0 GGADRP CN(c1ccccc1CN1CCSC[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000191745268 1432716371 /nfs/dbraw/zinc/71/63/71/1432716371.db2.gz LSKHHVUKRHGVKV-JOCHJYFZSA-N 2 0 399.608 3.241 20 0 GGADRP COc1ccc(Cl)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000192033725 1432783128 /nfs/dbraw/zinc/78/31/28/1432783128.db2.gz SIHGSFTWRDNZEX-UHFFFAOYSA-N 2 0 395.975 3.265 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192155044 1432808946 /nfs/dbraw/zinc/80/89/46/1432808946.db2.gz BQLILKXXYYRMJP-WMZOPIPTSA-N 2 0 389.515 3.104 20 0 GGADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000192232417 1432820356 /nfs/dbraw/zinc/82/03/56/1432820356.db2.gz VWCHSXOCSAJOQX-FYYLOGMGSA-N 2 0 399.579 3.048 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192441938 1432845285 /nfs/dbraw/zinc/84/52/85/1432845285.db2.gz GRVSWNVGRUNVBG-LRYGQEGESA-N 2 0 391.531 3.350 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192597938 1432864325 /nfs/dbraw/zinc/86/43/25/1432864325.db2.gz ARSGWMIWOUWGGC-UHFFFAOYSA-N 2 0 391.625 3.336 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1OC ZINC000192682486 1432874995 /nfs/dbraw/zinc/87/49/95/1432874995.db2.gz WMRGEZOUBVNLRB-INIZCTEOSA-N 2 0 394.585 3.297 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000192694533 1432876202 /nfs/dbraw/zinc/87/62/02/1432876202.db2.gz KNAYSSMGIZGQIU-QFIPXVFZSA-N 2 0 395.551 3.171 20 0 GGADRP CC(C)c1ccc(CN2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192715527 1432879286 /nfs/dbraw/zinc/87/92/86/1432879286.db2.gz VSBGYXVHLFEKNE-UHFFFAOYSA-N 2 0 386.628 3.344 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000192747598 1432884124 /nfs/dbraw/zinc/88/41/24/1432884124.db2.gz OKVMVQXKSQSNNL-HXUWFJFHSA-N 2 0 393.019 3.435 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751925 1432884577 /nfs/dbraw/zinc/88/45/77/1432884577.db2.gz KMQOOOVKJGHXHB-WOJBJXKFSA-N 2 0 396.620 3.028 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751937 1432884687 /nfs/dbraw/zinc/88/46/87/1432884687.db2.gz KMQOOOVKJGHXHB-VQTJNVASSA-N 2 0 396.620 3.028 20 0 GGADRP O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192763059 1432886531 /nfs/dbraw/zinc/88/65/31/1432886531.db2.gz UHKNUBMGDPMUDF-NRFANRHFSA-N 2 0 393.535 3.143 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775118 1432888832 /nfs/dbraw/zinc/88/88/32/1432888832.db2.gz DVUUXOWOZICFRI-YADHBBJMSA-N 2 0 377.548 3.130 20 0 GGADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192775039 1432888875 /nfs/dbraw/zinc/88/88/75/1432888875.db2.gz KJIMRXCDHZLOAK-HXUWFJFHSA-N 2 0 382.980 3.288 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000192776843 1432889153 /nfs/dbraw/zinc/88/91/53/1432889153.db2.gz GIDAIEGAJQQVKO-UHFFFAOYSA-N 2 0 398.517 3.244 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192792237 1432891477 /nfs/dbraw/zinc/89/14/77/1432891477.db2.gz HCSQGYIUKUSGMD-UZLBHIALSA-N 2 0 393.934 3.463 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCC2 ZINC000192829193 1432895965 /nfs/dbraw/zinc/89/59/65/1432895965.db2.gz GFSUWUYKAPHBDT-SFHVURJKSA-N 2 0 391.556 3.005 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848551 1432898561 /nfs/dbraw/zinc/89/85/61/1432898561.db2.gz SDZVIQXPFAZPKT-PMACEKPBSA-N 2 0 383.939 3.315 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000192914217 1432906685 /nfs/dbraw/zinc/90/66/85/1432906685.db2.gz DPYNFWCIMCITAJ-UHFFFAOYSA-N 2 0 376.545 3.402 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000193005057 1432920922 /nfs/dbraw/zinc/92/09/22/1432920922.db2.gz LJJVMICXIKWMJG-UHFFFAOYSA-N 2 0 395.551 3.082 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000193052869 1432928550 /nfs/dbraw/zinc/92/85/50/1432928550.db2.gz LCXRMECABFDVBC-HXUWFJFHSA-N 2 0 388.556 3.007 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000193052886 1432928683 /nfs/dbraw/zinc/92/86/83/1432928683.db2.gz LCXRMECABFDVBC-FQEVSTJZSA-N 2 0 388.556 3.007 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000193088052 1432934480 /nfs/dbraw/zinc/93/44/80/1432934480.db2.gz SZSWOWPLCRWAJR-UTKZUKDTSA-N 2 0 379.520 3.161 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000193121038 1432939867 /nfs/dbraw/zinc/93/98/67/1432939867.db2.gz XLYVAQNOCPBXQZ-UHFFFAOYSA-N 2 0 386.584 3.113 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000193131494 1432941589 /nfs/dbraw/zinc/94/15/89/1432941589.db2.gz MRNBZYRTGVSOFZ-FQEVSTJZSA-N 2 0 384.524 3.190 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]CCCc3ccc4c(c3)CCO4)cc2)CC1 ZINC000193264115 1432970805 /nfs/dbraw/zinc/97/08/05/1432970805.db2.gz ILHDMNSDFAMHMO-UHFFFAOYSA-N 2 0 380.532 3.301 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193608796 1433028329 /nfs/dbraw/zinc/02/83/29/1433028329.db2.gz NAVKCDYFQYNWAJ-UHFFFAOYSA-N 2 0 376.589 3.349 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000193619494 1433030102 /nfs/dbraw/zinc/03/01/02/1433030102.db2.gz BJDWYLMOMYGUJK-UHFFFAOYSA-N 2 0 376.932 3.234 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193844748 1433071589 /nfs/dbraw/zinc/07/15/89/1433071589.db2.gz NKWYECAPOALVLM-UHFFFAOYSA-N 2 0 376.545 3.148 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193933116 1433087832 /nfs/dbraw/zinc/08/78/32/1433087832.db2.gz ZOXKOTTYIUSUNS-JOCHJYFZSA-N 2 0 380.536 3.070 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194031748 1433104523 /nfs/dbraw/zinc/10/45/23/1433104523.db2.gz YTLXICJRXLXUQE-JOCHJYFZSA-N 2 0 380.536 3.070 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194111425 1433119416 /nfs/dbraw/zinc/11/94/16/1433119416.db2.gz YVCYBIPNSHOACY-JOCHJYFZSA-N 2 0 398.595 3.462 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000194116198 1433120385 /nfs/dbraw/zinc/12/03/85/1433120385.db2.gz AQVXAFAXSVKMQG-QHCPKHFHSA-N 2 0 394.563 3.460 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000194225646 1433142834 /nfs/dbraw/zinc/14/28/34/1433142834.db2.gz CJSDJNZHQBVDAY-OAQYLSRUSA-N 2 0 398.526 3.079 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194265148 1433152016 /nfs/dbraw/zinc/15/20/16/1433152016.db2.gz SLLXNPMJJQPPQC-VXKWHMMOSA-N 2 0 386.584 3.176 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000194414482 1433174383 /nfs/dbraw/zinc/17/43/83/1433174383.db2.gz OKDKZKJFRLAZDV-YADHBBJMSA-N 2 0 384.568 3.168 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000194481264 1433185087 /nfs/dbraw/zinc/18/50/87/1433185087.db2.gz LMODFVYSIUIQIY-FQEVSTJZSA-N 2 0 399.539 3.021 20 0 GGADRP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194643344 1433210241 /nfs/dbraw/zinc/21/02/41/1433210241.db2.gz NNBQXYCIGOXOSM-QHCPKHFHSA-N 2 0 377.532 3.388 20 0 GGADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000194725143 1433220206 /nfs/dbraw/zinc/22/02/06/1433220206.db2.gz OFMGOCLOLJXNGW-UHFFFAOYSA-N 2 0 399.579 3.048 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000194870084 1433253487 /nfs/dbraw/zinc/25/34/87/1433253487.db2.gz CYNNZAFJOSIFMX-GOSISDBHSA-N 2 0 383.458 3.299 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136972 1433297614 /nfs/dbraw/zinc/29/76/14/1433297614.db2.gz SAKUSQFROFNARG-PKOBYXMFSA-N 2 0 387.549 3.231 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+]2CCCCC2)cc1 ZINC000195297696 1433316418 /nfs/dbraw/zinc/31/64/18/1433316418.db2.gz HTBNISKZUWNWRB-JOCHJYFZSA-N 2 0 385.552 3.213 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000195379829 1433324153 /nfs/dbraw/zinc/32/41/53/1433324153.db2.gz WTRVTYNRSOWIFB-UHFFFAOYSA-N 2 0 382.552 3.032 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)N1CC[NH+](C)CC1 ZINC000236699394 1433376532 /nfs/dbraw/zinc/37/65/32/1433376532.db2.gz VOOPOLYZIVJPGJ-PMACEKPBSA-N 2 0 394.401 3.168 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236718842 1433377027 /nfs/dbraw/zinc/37/70/27/1433377027.db2.gz MBJWKJHKAGSBQU-HSZRJFAPSA-N 2 0 377.532 3.249 20 0 GGADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000236819053 1433379925 /nfs/dbraw/zinc/37/99/25/1433379925.db2.gz FDHCIHYAXUKFRJ-QHCPKHFHSA-N 2 0 394.563 3.143 20 0 GGADRP CC(C)Oc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000236830564 1433380487 /nfs/dbraw/zinc/38/04/87/1433380487.db2.gz KSSCJCFBKQNOFA-JOCHJYFZSA-N 2 0 395.547 3.461 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000236843023 1433380703 /nfs/dbraw/zinc/38/07/03/1433380703.db2.gz VKFSLYUALSHXLO-UHFFFAOYSA-N 2 0 389.547 3.300 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000236874265 1433381445 /nfs/dbraw/zinc/38/14/45/1433381445.db2.gz DPIWVNXZLYBJLT-QHCPKHFHSA-N 2 0 393.575 3.377 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)C[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000236877389 1433381703 /nfs/dbraw/zinc/38/17/03/1433381703.db2.gz HDIFHKUJYAWUEL-LJQANCHMSA-N 2 0 385.508 3.444 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236877535 1433381740 /nfs/dbraw/zinc/38/17/40/1433381740.db2.gz ABIGKGYUEKFVFF-LAUBAEHRSA-N 2 0 375.557 3.220 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000236891640 1433382214 /nfs/dbraw/zinc/38/22/14/1433382214.db2.gz XTWIGRYXJAGMGD-UHFFFAOYSA-N 2 0 381.524 3.287 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236898030 1433382685 /nfs/dbraw/zinc/38/26/85/1433382685.db2.gz PXWWZYIGQWHQFE-QGZVFWFLSA-N 2 0 385.556 3.342 20 0 GGADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236936865 1433383421 /nfs/dbraw/zinc/38/34/21/1433383421.db2.gz DTVCOZAHSREGST-CVDCTZTESA-N 2 0 394.563 3.316 20 0 GGADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000236936558 1433383517 /nfs/dbraw/zinc/38/35/17/1433383517.db2.gz HCUNLGZHZKTDFY-UHFFFAOYSA-N 2 0 379.548 3.466 20 0 GGADRP CCCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OCC ZINC000236952892 1433383819 /nfs/dbraw/zinc/38/38/19/1433383819.db2.gz IVRPGEKMOONCBG-UHFFFAOYSA-N 2 0 398.551 3.311 20 0 GGADRP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237005085 1433385737 /nfs/dbraw/zinc/38/57/37/1433385737.db2.gz WPZWLBBIIAKIPV-ZDUSSCGKSA-N 2 0 383.330 3.430 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2F)CC1 ZINC000237090248 1433388651 /nfs/dbraw/zinc/38/86/51/1433388651.db2.gz LUQJBXNYJXRYHM-NRFANRHFSA-N 2 0 396.510 3.009 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc2F)CC1 ZINC000237090274 1433388675 /nfs/dbraw/zinc/38/86/75/1433388675.db2.gz LRSUYIQLYIJJQY-QFIPXVFZSA-N 2 0 396.510 3.182 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000237095500 1433388729 /nfs/dbraw/zinc/38/87/29/1433388729.db2.gz IBRIYSNEAVHYKU-QFIPXVFZSA-N 2 0 380.536 3.146 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc2F)CC1 ZINC000237090205 1433388745 /nfs/dbraw/zinc/38/87/45/1433388745.db2.gz LRSUYIQLYIJJQY-JOCHJYFZSA-N 2 0 396.510 3.182 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000237096902 1433388985 /nfs/dbraw/zinc/38/89/85/1433388985.db2.gz REXRGHWHJUUMRX-COPCDDAFSA-N 2 0 384.568 3.324 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124788 1433390025 /nfs/dbraw/zinc/39/00/25/1433390025.db2.gz KTIVVKVJDUFFCX-NXHRZFHOSA-N 2 0 383.458 3.347 20 0 GGADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000237131219 1433390284 /nfs/dbraw/zinc/39/02/84/1433390284.db2.gz GGHNUCITGZUJPK-XMMPIXPASA-N 2 0 395.591 3.153 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237198443 1433392109 /nfs/dbraw/zinc/39/21/09/1433392109.db2.gz KUQFZYGHXYBQDY-LEWJYISDSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237199140 1433392264 /nfs/dbraw/zinc/39/22/64/1433392264.db2.gz IIDZNIQLJFKQJV-WIYYLYMNSA-N 2 0 387.568 3.364 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000237208231 1433392563 /nfs/dbraw/zinc/39/25/63/1433392563.db2.gz JUFXOALOZRMCSR-UHFFFAOYSA-N 2 0 392.341 3.436 20 0 GGADRP COCCC[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000237208399 1433392674 /nfs/dbraw/zinc/39/26/74/1433392674.db2.gz VZPXJQCNYGVUHC-UHFFFAOYSA-N 2 0 396.457 3.482 20 0 GGADRP COc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000237256621 1433394478 /nfs/dbraw/zinc/39/44/78/1433394478.db2.gz QGPCSARKXSDSFK-FQEVSTJZSA-N 2 0 397.563 3.247 20 0 GGADRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(OC)c1O ZINC000237257419 1433394553 /nfs/dbraw/zinc/39/45/53/1433394553.db2.gz KUJISRCCKTZWDS-UHFFFAOYSA-N 2 0 386.492 3.174 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237286767 1433395796 /nfs/dbraw/zinc/39/57/96/1433395796.db2.gz XISDMAPRYWCUQS-NQIIRXRSSA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237327527 1433397395 /nfs/dbraw/zinc/39/73/95/1433397395.db2.gz KBYXQGHZJGYMCF-YADHBBJMSA-N 2 0 381.520 3.081 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237352684 1433398799 /nfs/dbraw/zinc/39/87/99/1433398799.db2.gz MNKOOSGNLRIZQG-JPYJTQIMSA-N 2 0 377.532 3.392 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237364318 1433399226 /nfs/dbraw/zinc/39/92/26/1433399226.db2.gz QDDLQFLSMKAFQJ-HKUYNNGSSA-N 2 0 375.582 3.242 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000237480164 1433405600 /nfs/dbraw/zinc/40/56/00/1433405600.db2.gz WIFKORJLFWQQCJ-DENIHFKCSA-N 2 0 377.532 3.087 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237555036 1433409226 /nfs/dbraw/zinc/40/92/26/1433409226.db2.gz IZYRCRCPCPVNEO-GOSISDBHSA-N 2 0 386.584 3.429 20 0 GGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237591809 1433411351 /nfs/dbraw/zinc/41/13/51/1433411351.db2.gz ASGRBKYOGNTTBI-OAQYLSRUSA-N 2 0 381.545 3.369 20 0 GGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237591947 1433411447 /nfs/dbraw/zinc/41/14/47/1433411447.db2.gz QEMKEAVNWHPNBW-NRFANRHFSA-N 2 0 381.545 3.197 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1CC[NH2+]CC1 ZINC000237598271 1433411883 /nfs/dbraw/zinc/41/18/83/1433411883.db2.gz QFRSTQLYHHFDQH-GOSISDBHSA-N 2 0 384.568 3.183 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237605465 1433412356 /nfs/dbraw/zinc/41/23/56/1433412356.db2.gz QANBHYUXEUHQPK-XQBPLPMBSA-N 2 0 387.568 3.205 20 0 GGADRP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC[NH2+]CC1 ZINC000237610163 1433412799 /nfs/dbraw/zinc/41/27/99/1433412799.db2.gz HDAGCQBPSFKLGQ-MOPGFXCFSA-N 2 0 387.568 3.028 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237717819 1433418721 /nfs/dbraw/zinc/41/87/21/1433418721.db2.gz DIBWTKDAURQULH-ZCTYVAAUSA-N 2 0 395.469 3.317 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237720085 1433419149 /nfs/dbraw/zinc/41/91/49/1433419149.db2.gz HEOOCVJLLBHHJE-FQEVSTJZSA-N 2 0 390.959 3.469 20 0 GGADRP Cc1cccn2c(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)cnc12 ZINC000237844239 1433428174 /nfs/dbraw/zinc/42/81/74/1433428174.db2.gz WNFDFCNTFQSVGL-UHFFFAOYSA-N 2 0 391.563 3.330 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000237880033 1433431118 /nfs/dbraw/zinc/43/11/18/1433431118.db2.gz CXNJEKZTMHDNOK-CZAFVFSZSA-N 2 0 377.532 3.405 20 0 GGADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237934486 1433435590 /nfs/dbraw/zinc/43/55/90/1433435590.db2.gz YVWWOJLGXHPNPC-NRFANRHFSA-N 2 0 381.564 3.423 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)C1 ZINC000237939382 1433435977 /nfs/dbraw/zinc/43/59/77/1433435977.db2.gz DLRJMEXXDQGKCG-FQEVSTJZSA-N 2 0 376.504 3.155 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000237944436 1433436156 /nfs/dbraw/zinc/43/61/56/1433436156.db2.gz ONFPQJDOIWSOFF-IEBWSBKVSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000237944360 1433436190 /nfs/dbraw/zinc/43/61/90/1433436190.db2.gz JMVNTOTXUPSFOJ-LJQANCHMSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000237970430 1433437448 /nfs/dbraw/zinc/43/74/48/1433437448.db2.gz HJMVLRIAWYUOIQ-UHFFFAOYSA-N 2 0 386.540 3.219 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000237968454 1433437479 /nfs/dbraw/zinc/43/74/79/1433437479.db2.gz ZMDFCBRHHLPUEN-HXUWFJFHSA-N 2 0 381.520 3.163 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238030366 1433440170 /nfs/dbraw/zinc/44/01/70/1433440170.db2.gz DDIYVYJABGRHQR-QHCPKHFHSA-N 2 0 377.532 3.393 20 0 GGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238062854 1433441422 /nfs/dbraw/zinc/44/14/22/1433441422.db2.gz QHACJJVDOKDEBW-UHFFFAOYSA-N 2 0 395.572 3.495 20 0 GGADRP [NH3+]Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000238063564 1433441497 /nfs/dbraw/zinc/44/14/97/1433441497.db2.gz LYORWRHSDWZKDW-UHFFFAOYSA-N 2 0 375.472 3.286 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000238075791 1433442093 /nfs/dbraw/zinc/44/20/93/1433442093.db2.gz LJTFUBWLKCARTG-UHFFFAOYSA-N 2 0 376.504 3.283 20 0 GGADRP Cc1cccc(NC(=O)[C@H](C)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000245386629 1433457012 /nfs/dbraw/zinc/45/70/12/1433457012.db2.gz PGSYYZILSXQECF-BJLQDIEVSA-N 2 0 387.568 3.452 20 0 GGADRP c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000245396404 1433460023 /nfs/dbraw/zinc/46/00/23/1433460023.db2.gz LDQPEVQVAWSPRE-DNQXCXABSA-N 2 0 382.596 3.027 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245432781 1433466486 /nfs/dbraw/zinc/46/64/86/1433466486.db2.gz BLWQDOYZYAEDTB-DLBZAZTESA-N 2 0 388.581 3.449 20 0 GGADRP C[C@@H](C(=O)NCCc1cccs1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439877 1433467918 /nfs/dbraw/zinc/46/79/18/1433467918.db2.gz GCUVSCVQJVDQNF-AZUAARDMSA-N 2 0 385.577 3.249 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245455441 1433471354 /nfs/dbraw/zinc/47/13/54/1433471354.db2.gz IBSBIEDMYHNRCT-ZWKOTPCHSA-N 2 0 381.586 3.100 20 0 GGADRP CC[NH+]1CCN([C@@H]2CCN([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000245495564 1433477320 /nfs/dbraw/zinc/47/73/20/1433477320.db2.gz PSVDFLSTRJTVJU-CRAIPNDOSA-N 2 0 389.931 3.163 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245552671 1433483966 /nfs/dbraw/zinc/48/39/66/1433483966.db2.gz QOWZBZNXQLLMIG-XIBWBMNSSA-N 2 0 395.588 3.396 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000245587289 1433488285 /nfs/dbraw/zinc/48/82/85/1433488285.db2.gz AONJKVFGYXACIR-MOPGFXCFSA-N 2 0 392.613 3.333 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644870 1433495000 /nfs/dbraw/zinc/49/50/00/1433495000.db2.gz AZKLBUCFSAIZEZ-IPELMVKDSA-N 2 0 381.923 3.463 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245645942 1433495012 /nfs/dbraw/zinc/49/50/12/1433495012.db2.gz BHRKNKINWGAQJT-QFBILLFUSA-N 2 0 396.938 3.257 20 0 GGADRP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)o1 ZINC000245702398 1433502500 /nfs/dbraw/zinc/50/25/00/1433502500.db2.gz LPDINCGVLANNMZ-DLBZAZTESA-N 2 0 379.570 3.411 20 0 GGADRP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)o1 ZINC000245702404 1433502621 /nfs/dbraw/zinc/50/26/21/1433502621.db2.gz LPDINCGVLANNMZ-IAGOWNOFSA-N 2 0 379.570 3.411 20 0 GGADRP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245702408 1433502757 /nfs/dbraw/zinc/50/27/57/1433502757.db2.gz LPQPHHXOKKXAOW-LEWJYISDSA-N 2 0 391.531 3.000 20 0 GGADRP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245721793 1433505957 /nfs/dbraw/zinc/50/59/57/1433505957.db2.gz UVBIXZFDCQENJX-IRFCIJBXSA-N 2 0 384.524 3.050 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245733926 1433507854 /nfs/dbraw/zinc/50/78/54/1433507854.db2.gz UITJMLDYJFXBPJ-APWZRJJASA-N 2 0 398.954 3.454 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245763109 1433513766 /nfs/dbraw/zinc/51/37/66/1433513766.db2.gz ZVVQVQJJUPMXMU-GPMSIDNRSA-N 2 0 396.938 3.255 20 0 GGADRP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805690 1433520760 /nfs/dbraw/zinc/52/07/60/1433520760.db2.gz BJMDDSTWCNRBOO-AEFFLSMTSA-N 2 0 381.442 3.297 20 0 GGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245850900 1433525976 /nfs/dbraw/zinc/52/59/76/1433525976.db2.gz GIQIUUCGNQRQRJ-YTFSRNRJSA-N 2 0 385.596 3.378 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000245863418 1433529544 /nfs/dbraw/zinc/52/95/44/1433529544.db2.gz DCCGONBAFWBEHS-FGTMMUONSA-N 2 0 376.570 3.153 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000245877754 1433532272 /nfs/dbraw/zinc/53/22/72/1433532272.db2.gz ASJKDXKRYWIISZ-FCHUYYIVSA-N 2 0 384.568 3.024 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245914610 1433541156 /nfs/dbraw/zinc/54/11/56/1433541156.db2.gz XRSGBDKVIJUHTN-QRVBRYPASA-N 2 0 390.597 3.228 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245918082 1433542343 /nfs/dbraw/zinc/54/23/43/1433542343.db2.gz FZUDDQWBKFRRJG-WIYYLYMNSA-N 2 0 387.572 3.171 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245945958 1433548993 /nfs/dbraw/zinc/54/89/93/1433548993.db2.gz NVEFXRXRTFUFDA-CEXWTWQISA-N 2 0 387.572 3.027 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000245960780 1433550974 /nfs/dbraw/zinc/55/09/74/1433550974.db2.gz MPCRDZLYZVQIAG-ZHHKINOHSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000245960765 1433551277 /nfs/dbraw/zinc/55/12/77/1433551277.db2.gz MPCRDZLYZVQIAG-FVTFTPSCSA-N 2 0 384.568 3.165 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000245972612 1433552207 /nfs/dbraw/zinc/55/22/07/1433552207.db2.gz OGFJMDJXDLQUSU-RCCFBDPRSA-N 2 0 376.570 3.011 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000245972595 1433552377 /nfs/dbraw/zinc/55/23/77/1433552377.db2.gz OGFJMDJXDLQUSU-KSZLIROESA-N 2 0 376.570 3.011 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000245975996 1433552540 /nfs/dbraw/zinc/55/25/40/1433552540.db2.gz OPXWRVSHHLIMLG-HSALFYBXSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000245993663 1433554773 /nfs/dbraw/zinc/55/47/73/1433554773.db2.gz MRSYQHMVMFALQR-CMKODMSKSA-N 2 0 393.547 3.060 20 0 GGADRP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010864 1433557528 /nfs/dbraw/zinc/55/75/28/1433557528.db2.gz ZNIMYNAQALHKHH-GDBMZVCRSA-N 2 0 398.334 3.421 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000246012391 1433557947 /nfs/dbraw/zinc/55/79/47/1433557947.db2.gz TZMMTPJVQLDYJM-AQNXPRMDSA-N 2 0 396.620 3.026 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)ccc1OC ZINC000246028032 1433559354 /nfs/dbraw/zinc/55/93/54/1433559354.db2.gz LKGDUAZHFBTCQC-FHWLQOOXSA-N 2 0 377.573 3.297 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246027850 1433559454 /nfs/dbraw/zinc/55/94/54/1433559454.db2.gz XLOKBXITFPBQSO-QWFCFKBJSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000246042840 1433560767 /nfs/dbraw/zinc/56/07/67/1433560767.db2.gz NZUMESYTYITNCV-QMMLZNLJSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246045194 1433561077 /nfs/dbraw/zinc/56/10/77/1433561077.db2.gz XOAMDMSSESIUKL-NLWGTHIKSA-N 2 0 395.588 3.255 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000246061618 1433562831 /nfs/dbraw/zinc/56/28/31/1433562831.db2.gz ZFMKMLBDZIHRQH-FCHUYYIVSA-N 2 0 384.568 3.298 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000246107743 1433570029 /nfs/dbraw/zinc/57/00/29/1433570029.db2.gz ZHICILWTXKTICF-AABGKKOBSA-N 2 0 389.584 3.441 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000246113476 1433570781 /nfs/dbraw/zinc/57/07/81/1433570781.db2.gz HXFMMUOFAYEEQR-RTBURBONSA-N 2 0 376.545 3.098 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246149026 1433574943 /nfs/dbraw/zinc/57/49/43/1433574943.db2.gz CPIMOPPGYCCBMB-UYAOXDASSA-N 2 0 389.588 3.054 20 0 GGADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246160629 1433576522 /nfs/dbraw/zinc/57/65/22/1433576522.db2.gz IPVBLJQOWQKTQS-GUDVDZBRSA-N 2 0 379.589 3.035 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163607 1433576729 /nfs/dbraw/zinc/57/67/29/1433576729.db2.gz IIIZMNPSKMQUIN-UGKGYDQZSA-N 2 0 387.568 3.413 20 0 GGADRP O=C(NCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C(F)(F)F ZINC000246211494 1433582304 /nfs/dbraw/zinc/58/23/04/1433582304.db2.gz YSSZNDGMILAXEO-ZWKOTPCHSA-N 2 0 383.458 3.042 20 0 GGADRP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246219075 1433583065 /nfs/dbraw/zinc/58/30/65/1433583065.db2.gz ZIOKKECBHSEBPG-RTWAWAEBSA-N 2 0 387.593 3.259 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246226258 1433584109 /nfs/dbraw/zinc/58/41/09/1433584109.db2.gz BUJFUTWKIZUDRR-SVFBPWRDSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246287817 1433590276 /nfs/dbraw/zinc/59/02/76/1433590276.db2.gz IGKFRACJKLMUDI-HBFSDRIKSA-N 2 0 376.589 3.155 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246297355 1433591742 /nfs/dbraw/zinc/59/17/42/1433591742.db2.gz IXKRDIQKOGWCSO-MDNUFGMLSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000246313209 1433593517 /nfs/dbraw/zinc/59/35/17/1433593517.db2.gz JZILQKCZPBNQQW-KAGYGMCKSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000246317072 1433593758 /nfs/dbraw/zinc/59/37/58/1433593758.db2.gz GLRWYKGFNZIYHT-MSOLQXFVSA-N 2 0 387.524 3.330 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246323787 1433595022 /nfs/dbraw/zinc/59/50/22/1433595022.db2.gz HFCYWTSWALHWAU-NJYVYQBISA-N 2 0 378.605 3.403 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000246324741 1433595325 /nfs/dbraw/zinc/59/53/25/1433595325.db2.gz NFKOUIQCZAEYKK-DXIQSLLYSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246334117 1433596254 /nfs/dbraw/zinc/59/62/54/1433596254.db2.gz HHRGRYUZTGWMQJ-RXRQOCSWSA-N 2 0 386.584 3.315 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000246333712 1433596262 /nfs/dbraw/zinc/59/62/62/1433596262.db2.gz HDBACHLKCZTNDG-NPHXMPSESA-N 2 0 398.595 3.413 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246334153 1433596418 /nfs/dbraw/zinc/59/64/18/1433596418.db2.gz HHRGRYUZTGWMQJ-ZQONDGBOSA-N 2 0 386.584 3.315 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246348031 1433598686 /nfs/dbraw/zinc/59/86/86/1433598686.db2.gz HKNCVUGNSMDVBV-MSOLQXFVSA-N 2 0 391.556 3.379 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246348045 1433598767 /nfs/dbraw/zinc/59/87/67/1433598767.db2.gz HKNCVUGNSMDVBV-QZTJIDSGSA-N 2 0 391.556 3.379 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246362564 1433600444 /nfs/dbraw/zinc/60/04/44/1433600444.db2.gz NKNTVYUTAUOOGC-YSIASYRMSA-N 2 0 386.540 3.075 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000246363143 1433601146 /nfs/dbraw/zinc/60/11/46/1433601146.db2.gz QGWSNBMTUZPNMS-DUXKGJEZSA-N 2 0 390.572 3.060 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000246363150 1433601205 /nfs/dbraw/zinc/60/12/05/1433601205.db2.gz QGWSNBMTUZPNMS-JRGCBEDISA-N 2 0 390.572 3.060 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000246372194 1433602465 /nfs/dbraw/zinc/60/24/65/1433602465.db2.gz OAXCMKBXDGOBTG-WOIUINJBSA-N 2 0 387.568 3.027 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246389476 1433605349 /nfs/dbraw/zinc/60/53/49/1433605349.db2.gz OFTKXUMMCGMRBK-XZAAFUHCSA-N 2 0 386.584 3.125 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246389456 1433605543 /nfs/dbraw/zinc/60/55/43/1433605543.db2.gz OFTKXUMMCGMRBK-WJJPVSRMSA-N 2 0 386.584 3.125 20 0 GGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246398621 1433607043 /nfs/dbraw/zinc/60/70/43/1433607043.db2.gz JXSCVAJKBJFJQT-XPNTWCBSSA-N 2 0 381.564 3.374 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246400268 1433607681 /nfs/dbraw/zinc/60/76/81/1433607681.db2.gz PXXJQCUFDSKHGW-SBHAEUEKSA-N 2 0 376.589 3.157 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246403813 1433608087 /nfs/dbraw/zinc/60/80/87/1433608087.db2.gz LMZNQBXFSGYLTO-NJYVYQBISA-N 2 0 378.605 3.260 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000246415253 1433609577 /nfs/dbraw/zinc/60/95/77/1433609577.db2.gz SFVCHDVQAAXZBM-RTBURBONSA-N 2 0 392.613 3.476 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000246438491 1433612824 /nfs/dbraw/zinc/61/28/24/1433612824.db2.gz UFUDIURMNQOZJN-DNVFCKCGSA-N 2 0 399.579 3.218 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246514414 1433623858 /nfs/dbraw/zinc/62/38/58/1433623858.db2.gz VARPKKFCXRSMPM-HBMCJLEFSA-N 2 0 378.605 3.404 20 0 GGADRP CCN1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518653 1433624175 /nfs/dbraw/zinc/62/41/75/1433624175.db2.gz VHVBKKRYOUCZKT-DLBZAZTESA-N 2 0 380.536 3.215 20 0 GGADRP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)C[NH+]1CCCC1 ZINC000246529240 1433625866 /nfs/dbraw/zinc/62/58/66/1433625866.db2.gz CPAOROKUMMYSIW-UIFIKXQLSA-N 2 0 381.524 3.143 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000246529679 1433625895 /nfs/dbraw/zinc/62/58/95/1433625895.db2.gz WJJNPNLCOPUBJS-MOPGFXCFSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561799 1433631419 /nfs/dbraw/zinc/63/14/19/1433631419.db2.gz XESSGGSDVQOKOQ-FXAWDEMLSA-N 2 0 377.492 3.174 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246572796 1433633196 /nfs/dbraw/zinc/63/31/96/1433633196.db2.gz STNZSXQEGHTJMS-HJNYFJLDSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000246696387 1433651190 /nfs/dbraw/zinc/65/11/90/1433651190.db2.gz JEPHLZYGPJKGAI-FCEWJHQRSA-N 2 0 397.485 3.417 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC[C@H]21 ZINC000246710689 1433653653 /nfs/dbraw/zinc/65/36/53/1433653653.db2.gz FFDYWEHTGVGFNE-KZNAEPCWSA-N 2 0 376.570 3.011 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246755822 1433660858 /nfs/dbraw/zinc/66/08/58/1433660858.db2.gz ZTVFPEXFNHJMDL-KNQAVFIVSA-N 2 0 386.584 3.400 20 0 GGADRP Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000246766526 1433662752 /nfs/dbraw/zinc/66/27/52/1433662752.db2.gz PRLHEZIZJPKOSZ-LEWJYISDSA-N 2 0 384.568 3.324 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000246766091 1433662798 /nfs/dbraw/zinc/66/27/98/1433662798.db2.gz OAWZEENNSAPBMA-YJBOKZPZSA-N 2 0 383.458 3.171 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000246781017 1433665652 /nfs/dbraw/zinc/66/56/52/1433665652.db2.gz ZHMXOXPITRXBSA-RBBKRZOGSA-N 2 0 384.568 3.167 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246791397 1433667796 /nfs/dbraw/zinc/66/77/96/1433667796.db2.gz JCBVULBAAAQMKP-VXKWHMMOSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831916 1433676027 /nfs/dbraw/zinc/67/60/27/1433676027.db2.gz ALQUYJYZNDKIHT-UXPWSPDFSA-N 2 0 393.453 3.332 20 0 GGADRP O=C(COc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000246883305 1433682370 /nfs/dbraw/zinc/68/23/70/1433682370.db2.gz TUYVMWLAWLTZBF-SIKLNZKXSA-N 2 0 397.563 3.137 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCC[NH+](Cc4cccs4)C3)CC[C@H]21 ZINC000246895017 1433684141 /nfs/dbraw/zinc/68/41/41/1433684141.db2.gz MDJNCUSCWVZLBW-QWFCFKBJSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912157 1433686307 /nfs/dbraw/zinc/68/63/07/1433686307.db2.gz HNTNYJMNLZCZHU-HYBUGGRVSA-N 3 0 396.579 3.412 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000247266555 1433697955 /nfs/dbraw/zinc/69/79/55/1433697955.db2.gz RYCYZCUXZORAHA-FDFHNCONSA-N 2 0 386.584 3.065 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247346061 1433710689 /nfs/dbraw/zinc/71/06/89/1433710689.db2.gz XVFGTFDPJJYXAD-RNJSZURPSA-N 2 0 398.595 3.269 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000247359241 1433712441 /nfs/dbraw/zinc/71/24/41/1433712441.db2.gz QFRRFQLFUUEDHE-QZTJIDSGSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000247359260 1433712554 /nfs/dbraw/zinc/71/25/54/1433712554.db2.gz QFRRFQLFUUEDHE-ZWKOTPCHSA-N 2 0 381.586 3.100 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247369452 1433713987 /nfs/dbraw/zinc/71/39/87/1433713987.db2.gz DWOVWULKAOEVFL-MSOLQXFVSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247376662 1433714862 /nfs/dbraw/zinc/71/48/62/1433714862.db2.gz PMXKPCBADFVZFO-UXHICEINSA-N 2 0 386.584 3.489 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000247379422 1433715279 /nfs/dbraw/zinc/71/52/79/1433715279.db2.gz LBIXZWIXOAMTQN-NGRWLJPCSA-N 2 0 386.584 3.315 20 0 GGADRP CC1CC[NH+](CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415921 1433719550 /nfs/dbraw/zinc/71/95/50/1433719550.db2.gz UAKUWUTXKKRGJZ-RBBKRZOGSA-N 2 0 386.584 3.413 20 0 GGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247432184 1433721354 /nfs/dbraw/zinc/72/13/54/1433721354.db2.gz WOWMRZDZTQQHJO-FCHUYYIVSA-N 2 0 384.568 3.311 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247460217 1433725065 /nfs/dbraw/zinc/72/50/65/1433725065.db2.gz UIKHWUZJHWTASA-FCEUIQTBSA-N 2 0 386.584 3.317 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000247471085 1433726317 /nfs/dbraw/zinc/72/63/17/1433726317.db2.gz RRJAXXSVUIZNAD-PMACEKPBSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1n1ccnc1 ZINC000247539429 1433734640 /nfs/dbraw/zinc/73/46/40/1433734640.db2.gz JXVDCACGOHWKSA-HMXCVIKNSA-N 2 0 381.524 3.140 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCCn1ccnc1 ZINC000247550999 1433735880 /nfs/dbraw/zinc/73/58/80/1433735880.db2.gz QXCBLHJKCLXECB-KXTWHKPSSA-N 2 0 383.540 3.071 20 0 GGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000247947634 1433758278 /nfs/dbraw/zinc/75/82/78/1433758278.db2.gz DRMXFKNOFUGEIA-RTBURBONSA-N 2 0 398.576 3.316 20 0 GGADRP CC[N@@H+]1CC[C@@H](NCc2cccc(NC(=O)NCc3ccncc3)c2)[C@@H](C)C1 ZINC000247961431 1433759006 /nfs/dbraw/zinc/75/90/06/1433759006.db2.gz GHGWYXOJGHEKEY-LAUBAEHRSA-N 2 0 381.524 3.223 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[N@@H+]1C1CC1 ZINC000248035652 1433765084 /nfs/dbraw/zinc/76/50/84/1433765084.db2.gz RLRFSHKJOPMZBW-GGPKGHCWSA-N 2 0 376.589 3.298 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248060773 1433766987 /nfs/dbraw/zinc/76/69/87/1433766987.db2.gz LVZRJOMGYZLEOK-QYZOEREBSA-N 2 0 383.577 3.113 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@H]21 ZINC000248123546 1433771508 /nfs/dbraw/zinc/77/15/08/1433771508.db2.gz NRKOLQNYQBQTSG-LZQZEXGQSA-N 2 0 393.478 3.200 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)c2)C1 ZINC000248128184 1433772364 /nfs/dbraw/zinc/77/23/64/1433772364.db2.gz ODMHNXQHLRSAKT-RPWUZVMVSA-N 2 0 391.559 3.495 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)c2)C1 ZINC000248128183 1433772436 /nfs/dbraw/zinc/77/24/36/1433772436.db2.gz ODMHNXQHLRSAKT-DNQXCXABSA-N 2 0 391.559 3.495 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000248133507 1433772644 /nfs/dbraw/zinc/77/26/44/1433772644.db2.gz OTAHMXLMVZJFFK-OXJNMPFZSA-N 2 0 399.510 3.382 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000248145919 1433774489 /nfs/dbraw/zinc/77/44/89/1433774489.db2.gz QDEODDGWYFNWRY-PUHATCMVSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000248162680 1433776266 /nfs/dbraw/zinc/77/62/66/1433776266.db2.gz SKLQJYCYWXSXNR-KAGYGMCKSA-N 2 0 384.568 3.165 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccccc43)c2)C1 ZINC000248202877 1433780151 /nfs/dbraw/zinc/78/01/51/1433780151.db2.gz ZFZWHEXJTSKSBC-IFMALSPDSA-N 2 0 393.531 3.387 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000248230219 1433781102 /nfs/dbraw/zinc/78/11/02/1433781102.db2.gz QYCXSYDQURJWAB-TZIWHRDSSA-N 2 0 378.605 3.404 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248344206 1433787536 /nfs/dbraw/zinc/78/75/36/1433787536.db2.gz LHCJAISWTGHNKE-VXKWHMMOSA-N 2 0 383.580 3.322 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248386690 1433792343 /nfs/dbraw/zinc/79/23/43/1433792343.db2.gz NMIIGCHMYOJYOV-WIYYLYMNSA-N 2 0 383.536 3.259 20 0 GGADRP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248388859 1433793193 /nfs/dbraw/zinc/79/31/93/1433793193.db2.gz AGICXKDLKSHTFQ-XPWALMASSA-N 2 0 377.532 3.218 20 0 GGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248399415 1433797117 /nfs/dbraw/zinc/79/71/17/1433797117.db2.gz JUXWGAOLWHMVRL-SXLOBPIMSA-N 2 0 376.589 3.203 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000248402337 1433797942 /nfs/dbraw/zinc/79/79/42/1433797942.db2.gz NEWKLNRIMJIGQE-RCTAOEEJSA-N 3 0 398.639 3.149 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404054 1433799138 /nfs/dbraw/zinc/79/91/38/1433799138.db2.gz PORBOAVREVCTPW-DJPFJPOOSA-N 2 0 390.547 3.381 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406880 1433799969 /nfs/dbraw/zinc/79/99/69/1433799969.db2.gz SVYJDZDBRVXSLN-IRFCIJBXSA-N 2 0 376.589 3.299 20 0 GGADRP OCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408320 1433800111 /nfs/dbraw/zinc/80/01/11/1433800111.db2.gz VKBXVYYEZYCPIP-DNVJHFABSA-N 2 0 380.532 3.448 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000248411114 1433800381 /nfs/dbraw/zinc/80/03/81/1433800381.db2.gz YTOCVRUREQPYNL-LNLFQRSKSA-N 2 0 393.597 3.241 20 0 GGADRP CO[C@]1(C)C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC000248417680 1433801026 /nfs/dbraw/zinc/80/10/26/1433801026.db2.gz JSMLUQMHMHVNHK-MTIDIVMFSA-N 2 0 396.616 3.274 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430238 1433802064 /nfs/dbraw/zinc/80/20/64/1433802064.db2.gz BNJZKCNXLAWCRQ-DYESRHJHSA-N 2 0 382.504 3.265 20 0 GGADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2(C[NH+](C)[C@H]3C[C@@H](OCC)C3(C)C)COC2)C1(C)C ZINC000248450576 1433803628 /nfs/dbraw/zinc/80/36/28/1433803628.db2.gz YCWJVJTZZDJGQY-IYWMVGAKSA-N 2 0 396.616 3.274 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000248453048 1433803933 /nfs/dbraw/zinc/80/39/33/1433803933.db2.gz QGLUALXMFYLDRM-WZONZLPQSA-N 2 0 376.504 3.290 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457325 1433804264 /nfs/dbraw/zinc/80/42/64/1433804264.db2.gz SXIPFLQPDNZNDH-FXAWDEMLSA-N 2 0 384.520 3.430 20 0 GGADRP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248471012 1433805267 /nfs/dbraw/zinc/80/52/67/1433805267.db2.gz VMQMKTVBIYIECV-IEZWGBDMSA-N 2 0 398.469 3.394 20 0 GGADRP CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248582396 1433809618 /nfs/dbraw/zinc/80/96/18/1433809618.db2.gz WHDGZAYVKWPSPA-NJDAHSKKSA-N 2 0 378.582 3.092 20 0 GGADRP CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248582401 1433809733 /nfs/dbraw/zinc/80/97/33/1433809733.db2.gz WHDGZAYVKWPSPA-PWRODBHTSA-N 2 0 378.582 3.092 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248592024 1433810165 /nfs/dbraw/zinc/81/01/65/1433810165.db2.gz YZTVOGMCENJSLZ-HNAYVOBHSA-N 2 0 396.938 3.208 20 0 GGADRP Cc1cccc(OCCNC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248595488 1433810231 /nfs/dbraw/zinc/81/02/31/1433810231.db2.gz SQLBZNULBPBDNJ-AABGKKOBSA-N 2 0 387.568 3.121 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2sccc21 ZINC000248697706 1433815910 /nfs/dbraw/zinc/81/59/10/1433815910.db2.gz DWHPLMGEFJTLFD-AEFFLSMTSA-N 2 0 378.586 3.183 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248722597 1433817617 /nfs/dbraw/zinc/81/76/17/1433817617.db2.gz CMDCDSRXKPBIQC-FCEUIQTBSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000248722585 1433817743 /nfs/dbraw/zinc/81/77/43/1433817743.db2.gz CMDCDSRXKPBIQC-BAGYTPMASA-N 2 0 384.568 3.167 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000248726775 1433817907 /nfs/dbraw/zinc/81/79/07/1433817907.db2.gz IINXCDVZRAPBAX-YADHBBJMSA-N 2 0 384.568 3.168 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@@H]21 ZINC000248735178 1433818624 /nfs/dbraw/zinc/81/86/24/1433818624.db2.gz QPYVFGDBPOMXSA-HFTRVMKXSA-N 2 0 381.442 3.227 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248773467 1433821728 /nfs/dbraw/zinc/82/17/28/1433821728.db2.gz TYUSMPZDYXCXCP-NHCUHLMSSA-N 2 0 396.535 3.238 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248788251 1433822535 /nfs/dbraw/zinc/82/25/35/1433822535.db2.gz CYTLLUSBFLXWBC-YFNKSVMNSA-N 2 0 389.543 3.185 20 0 GGADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248791607 1433822807 /nfs/dbraw/zinc/82/28/07/1433822807.db2.gz XTZYYOYXBKROAK-NNWRFLSQSA-N 2 0 398.595 3.461 20 0 GGADRP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248826559 1433824361 /nfs/dbraw/zinc/82/43/61/1433824361.db2.gz MAMXYBSDHDYKRR-SQVLJLFZSA-N 2 0 398.595 3.459 20 0 GGADRP C[C@@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248826566 1433824378 /nfs/dbraw/zinc/82/43/78/1433824378.db2.gz MAMXYBSDHDYKRR-URLVKDPJSA-N 2 0 398.595 3.459 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000248830717 1433824557 /nfs/dbraw/zinc/82/45/57/1433824557.db2.gz LMMXCNJJAMRMSU-XZOQPEGZSA-N 2 0 395.547 3.087 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829354 1433824597 /nfs/dbraw/zinc/82/45/97/1433824597.db2.gz DTQOMZKAPRVFAQ-KIFXHHALSA-N 2 0 378.564 3.404 20 0 GGADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000248833032 1433824783 /nfs/dbraw/zinc/82/47/83/1433824783.db2.gz MJLODTVIBUGZMX-KQLGTBKOSA-N 2 0 380.573 3.057 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000248932734 1433829741 /nfs/dbraw/zinc/82/97/41/1433829741.db2.gz XZXMNKVCDZTIAM-XMSQKQJNSA-N 2 0 380.536 3.068 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cnc2ccccc2c1=O ZINC000248940555 1433829951 /nfs/dbraw/zinc/82/99/51/1433829951.db2.gz COJAFZDZUPBNAQ-MOJGAOKDSA-N 2 0 390.531 3.143 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249013744 1433832208 /nfs/dbraw/zinc/83/22/08/1433832208.db2.gz PCLYHVPACWTUNX-FSSWDIPSSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCC[C@@H](C)C1 ZINC000249133446 1433836758 /nfs/dbraw/zinc/83/67/58/1433836758.db2.gz TUJBNYNXZVLNKY-YYZRRKBYSA-N 2 0 383.536 3.304 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000249192795 1433838495 /nfs/dbraw/zinc/83/84/95/1433838495.db2.gz OUQNLABJRLEYSS-KCITZHQASA-N 2 0 385.474 3.365 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000249196433 1433838664 /nfs/dbraw/zinc/83/86/64/1433838664.db2.gz RETVWOJPXDEKSK-KXTWHKPSSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000249335524 1433841376 /nfs/dbraw/zinc/84/13/76/1433841376.db2.gz YRDRGZRPOGBMQP-YLJYHZDGSA-N 2 0 378.536 3.240 20 0 GGADRP CCN(C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249373825 1433841830 /nfs/dbraw/zinc/84/18/30/1433841830.db2.gz XLPVVYYVVUICMS-FGZHOGPDSA-N 2 0 386.584 3.413 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392906 1433842491 /nfs/dbraw/zinc/84/24/91/1433842491.db2.gz AKWMOUVMPHOXKT-WMLDXEAASA-N 2 0 385.911 3.144 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)Nc2c(C)cccc2C)[C@H](C)C1 ZINC000249419139 1433843413 /nfs/dbraw/zinc/84/34/13/1433843413.db2.gz HFOZFFUSFLZDPF-AQNXPRMDSA-N 2 0 375.557 3.357 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)Nc2c(C)cccc2C)[C@@H](C)C1 ZINC000249419145 1433843487 /nfs/dbraw/zinc/84/34/87/1433843487.db2.gz HFOZFFUSFLZDPF-ZCNNSNEGSA-N 2 0 375.557 3.357 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CCS(=O)(=O)CC1 ZINC000249527618 1433846427 /nfs/dbraw/zinc/84/64/27/1433846427.db2.gz ADVAKCONGOINCR-ZWKOTPCHSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000249527616 1433846466 /nfs/dbraw/zinc/84/64/66/1433846466.db2.gz ADVAKCONGOINCR-QZTJIDSGSA-N 2 0 378.582 3.364 20 0 GGADRP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000249616092 1433848299 /nfs/dbraw/zinc/84/82/99/1433848299.db2.gz PNLAPUMRBSSQKN-OALUTQOASA-N 2 0 382.552 3.437 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249742123 1433850712 /nfs/dbraw/zinc/85/07/12/1433850712.db2.gz JPNAMZPVVOAQAW-GUDVDZBRSA-N 2 0 388.556 3.149 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC000249747027 1433850833 /nfs/dbraw/zinc/85/08/33/1433850833.db2.gz DEWDWVOXLQNHOS-IAGOWNOFSA-N 2 0 388.556 3.021 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000249755385 1433851128 /nfs/dbraw/zinc/85/11/28/1433851128.db2.gz CTBOBKKOLOMHEL-ROUUACIJSA-N 2 0 376.545 3.006 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000249763264 1433851394 /nfs/dbraw/zinc/85/13/94/1433851394.db2.gz OHYGJWHRKISWQB-OWCLPIDISA-N 2 0 385.474 3.321 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249760436 1433851444 /nfs/dbraw/zinc/85/14/44/1433851444.db2.gz XMWFWASRSKPACX-WOJBJXKFSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)NCC(F)(F)F ZINC000249763259 1433851451 /nfs/dbraw/zinc/85/14/51/1433851451.db2.gz OHYGJWHRKISWQB-BZUAXINKSA-N 2 0 385.474 3.321 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000249784977 1433852096 /nfs/dbraw/zinc/85/20/96/1433852096.db2.gz DIIQLTRNTISGQI-QZTJIDSGSA-N 2 0 378.582 3.221 20 0 GGADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000249802192 1433852324 /nfs/dbraw/zinc/85/23/24/1433852324.db2.gz DFRZOJLNLMRAQZ-XQBPLPMBSA-N 2 0 387.568 3.032 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCSCC1 ZINC000250084362 1433854312 /nfs/dbraw/zinc/85/43/12/1433854312.db2.gz PMSGVHBNTZJYFB-OXJNMPFZSA-N 2 0 375.582 3.005 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000250120877 1433854601 /nfs/dbraw/zinc/85/46/01/1433854601.db2.gz VGESIBAHMISDCQ-QZTJIDSGSA-N 2 0 378.582 3.221 20 0 GGADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250282137 1433855433 /nfs/dbraw/zinc/85/54/33/1433855433.db2.gz GNXLLESVOBTQCL-IFMALSPDSA-N 2 0 390.568 3.017 20 0 GGADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000250658157 1433857108 /nfs/dbraw/zinc/85/71/08/1433857108.db2.gz XJUXHTDWBKZYLH-GMAHTHKFSA-N 2 0 395.522 3.428 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000251496107 1433858393 /nfs/dbraw/zinc/85/83/93/1433858393.db2.gz DLNKWTBPDROILM-BDTNDASRSA-N 2 0 384.568 3.023 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000251545744 1433858807 /nfs/dbraw/zinc/85/88/07/1433858807.db2.gz GURZXWGTIDHHJU-ZSZQSSIHSA-N 2 0 396.938 3.065 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000251573966 1433859127 /nfs/dbraw/zinc/85/91/27/1433859127.db2.gz VDWVQZYKVMACDS-WTIAFYNJSA-N 2 0 392.547 3.396 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000251770415 1433860355 /nfs/dbraw/zinc/86/03/55/1433860355.db2.gz FAEOBWNZRWUXKB-HSALFYBXSA-N 2 0 390.572 3.474 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CC[C@H]21 ZINC000252653565 1433863873 /nfs/dbraw/zinc/86/38/73/1433863873.db2.gz ZLQDCYGNJFTEIX-AUSIDOKSSA-N 2 0 392.547 3.200 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CC[C@H]21 ZINC000252653566 1433863921 /nfs/dbraw/zinc/86/39/21/1433863921.db2.gz ZLQDCYGNJFTEIX-WMZHIEFXSA-N 2 0 392.547 3.200 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692330 1433864175 /nfs/dbraw/zinc/86/41/75/1433864175.db2.gz BERGFCZHMSMTTQ-WNOPAQSVSA-N 2 0 397.563 3.211 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692329 1433864186 /nfs/dbraw/zinc/86/41/86/1433864186.db2.gz BERGFCZHMSMTTQ-NGYIFUPDSA-N 2 0 397.563 3.211 20 0 GGADRP Cn1ncc2c1CCC[C@H]2[NH+](C)C/C=C\C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000255207397 1433878446 /nfs/dbraw/zinc/87/84/46/1433878446.db2.gz WGQRGNZXPRNQHK-SBUVDCAVSA-N 2 0 382.556 3.028 20 0 GGADRP C(=C\CN1CCC[C@H]1C[NH+]1CCCCC1)\CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000255336401 1433880806 /nfs/dbraw/zinc/88/08/06/1433880806.db2.gz AHIHOYCJHZYUKB-ZUHQACNJSA-N 2 0 388.644 3.443 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000255504853 1433883812 /nfs/dbraw/zinc/88/38/12/1433883812.db2.gz AQZSZWMHTZMWCK-SJBKTWHCSA-N 2 0 388.600 3.217 20 0 GGADRP C(=C\CN1CC[NH+](C2CCCCC2)CC1)\CN1CC[NH+](C2CCCCC2)CC1 ZINC000255518650 1433884301 /nfs/dbraw/zinc/88/43/01/1433884301.db2.gz WDCITAGTVIOKHZ-FPLPWBNLSA-N 2 0 388.644 3.443 20 0 GGADRP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)CC23CCCCC3)C2(CCCCC2)C1 ZINC000255815621 1433889791 /nfs/dbraw/zinc/88/97/91/1433889791.db2.gz SSPYSMRXBVUJTQ-KTKRTIGZSA-N 2 0 388.644 3.443 20 0 GGADRP CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000261479708 1433896801 /nfs/dbraw/zinc/89/68/01/1433896801.db2.gz ZXVYQMWRAZYYNP-NHCUHLMSSA-N 2 0 384.568 3.139 20 0 GGADRP c1c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)n[nH]c1[C@@H]1CC[NH2+]C1 ZINC000261605821 1433897044 /nfs/dbraw/zinc/89/70/44/1433897044.db2.gz ABNXFFRJMMHABY-QGZVFWFLSA-N 2 0 378.480 3.190 20 0 GGADRP c1c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)n[nH]c1[C@H]1CC[NH2+]C1 ZINC000261605819 1433897047 /nfs/dbraw/zinc/89/70/47/1433897047.db2.gz ABNXFFRJMMHABY-KRWDZBQOSA-N 2 0 378.480 3.190 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261649447 1433898154 /nfs/dbraw/zinc/89/81/54/1433898154.db2.gz ALFJVIKHNRWAFG-NFBKMPQASA-N 2 0 377.532 3.434 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261649452 1433898216 /nfs/dbraw/zinc/89/82/16/1433898216.db2.gz ALFJVIKHNRWAFG-NZQKXSOJSA-N 2 0 377.532 3.434 20 0 GGADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000261652068 1433898340 /nfs/dbraw/zinc/89/83/40/1433898340.db2.gz FOOWOOUZKPNSFH-UHFFFAOYSA-N 2 0 395.551 3.107 20 0 GGADRP Cc1cc(OCC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C(C)C ZINC000261794639 1433904467 /nfs/dbraw/zinc/90/44/67/1433904467.db2.gz ILWVOICRHXMTCN-DENIHFKCSA-N 2 0 387.568 3.077 20 0 GGADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261877557 1433909098 /nfs/dbraw/zinc/90/90/98/1433909098.db2.gz SLBSGMVHCARWNN-MRXNPFEDSA-N 2 0 383.458 3.129 20 0 GGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880037 1433909488 /nfs/dbraw/zinc/90/94/88/1433909488.db2.gz PAYJAYBBDAIQEG-VKJFTORMSA-N 2 0 383.458 3.347 20 0 GGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880034 1433909690 /nfs/dbraw/zinc/90/96/90/1433909690.db2.gz PAYJAYBBDAIQEG-RVKKMQEKSA-N 2 0 383.458 3.347 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000261975439 1433918493 /nfs/dbraw/zinc/91/84/93/1433918493.db2.gz FUDLLIMXKVAOLQ-UHFFFAOYSA-N 2 0 383.536 3.128 20 0 GGADRP CC[NH2+]Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261975388 1433918830 /nfs/dbraw/zinc/91/88/30/1433918830.db2.gz NOVCWQCURNMHDB-GOSISDBHSA-N 2 0 376.298 3.371 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000261992345 1433920132 /nfs/dbraw/zinc/92/01/32/1433920132.db2.gz MMWDOBWHIFLLQV-SFHVURJKSA-N 2 0 381.467 3.105 20 0 GGADRP Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000262040980 1433924145 /nfs/dbraw/zinc/92/41/45/1433924145.db2.gz PBPAYEWQJXIGJJ-UHFFFAOYSA-N 2 0 375.314 3.415 20 0 GGADRP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1Oc1cccnc1 ZINC000262043242 1433924206 /nfs/dbraw/zinc/92/42/06/1433924206.db2.gz PJPFURHKKWPUPP-IBGZPJMESA-N 2 0 382.508 3.002 20 0 GGADRP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1)c1ccc(Cl)cc1 ZINC000262136792 1433928266 /nfs/dbraw/zinc/92/82/66/1433928266.db2.gz OTZLQYCYZAXSGH-OAQYLSRUSA-N 2 0 398.938 3.072 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCOCC1)c1ccccc1 ZINC000262200578 1433930615 /nfs/dbraw/zinc/93/06/15/1433930615.db2.gz CZQGYBFPAHQQND-WQWLHFTFSA-N 2 0 399.579 3.156 20 0 GGADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000262223718 1433931428 /nfs/dbraw/zinc/93/14/28/1433931428.db2.gz MZEAXKRUKOSRAZ-BHDDXSALSA-N 2 0 381.495 3.134 20 0 GGADRP CC1(C)C[N@@H+](C2(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCCCC2)CCO1 ZINC000262291181 1433933735 /nfs/dbraw/zinc/93/37/35/1433933735.db2.gz MYUYTHBQOUTVOL-VCWRXUFXSA-N 2 0 391.600 3.070 20 0 GGADRP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC000262328675 1433935406 /nfs/dbraw/zinc/93/54/06/1433935406.db2.gz DPEFOLFYFFXIAD-RDJZCZTQSA-N 2 0 383.458 3.128 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)ccc1OC ZINC000262356905 1433936410 /nfs/dbraw/zinc/93/64/10/1433936410.db2.gz JUGJJAGXJCLORE-HTAPYJJXSA-N 2 0 389.540 3.134 20 0 GGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262395964 1433937673 /nfs/dbraw/zinc/93/76/73/1433937673.db2.gz OTOWGFDLFSZWFM-ZDIRXBFYSA-N 2 0 385.552 3.388 20 0 GGADRP COCC1(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000262421065 1433938428 /nfs/dbraw/zinc/93/84/28/1433938428.db2.gz VAGVUIWWGBWKBE-UHFFFAOYSA-N 2 0 387.568 3.084 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468739 1433940300 /nfs/dbraw/zinc/94/03/00/1433940300.db2.gz GQAAKZIHPXFRGZ-NFBKMPQASA-N 2 0 387.568 3.067 20 0 GGADRP [NH3+][C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000262585101 1433944776 /nfs/dbraw/zinc/94/47/76/1433944776.db2.gz OEKQPZIVZZAXLI-QUCCMNQESA-N 2 0 391.437 3.257 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CC3(C[NH3+])CCCCC3)cc2)C[C@H](C)O1 ZINC000262609854 1433946204 /nfs/dbraw/zinc/94/62/04/1433946204.db2.gz ANNGVRZUNDTHDN-OALUTQOASA-N 2 0 387.568 3.211 20 0 GGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000262621128 1433946705 /nfs/dbraw/zinc/94/67/05/1433946705.db2.gz DWZOMIRVVQNBGA-JOCHJYFZSA-N 2 0 394.519 3.448 20 0 GGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1 ZINC000262630081 1433947000 /nfs/dbraw/zinc/94/70/00/1433947000.db2.gz GVVPCSWXYVRZBQ-JOCHJYFZSA-N 2 0 394.519 3.366 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000262639239 1433947371 /nfs/dbraw/zinc/94/73/71/1433947371.db2.gz INMKVCRFRGWCSQ-JOCHJYFZSA-N 2 0 381.520 3.032 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000262639241 1433947446 /nfs/dbraw/zinc/94/74/46/1433947446.db2.gz INMKVCRFRGWCSQ-QFIPXVFZSA-N 2 0 381.520 3.032 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000262651703 1433947824 /nfs/dbraw/zinc/94/78/24/1433947824.db2.gz RLNPRQAZTLGLIH-XJABCFGWSA-N 2 0 381.520 3.284 20 0 GGADRP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262664066 1433948376 /nfs/dbraw/zinc/94/83/76/1433948376.db2.gz IAUIJISGEGXZCO-OAQYLSRUSA-N 2 0 394.519 3.010 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262658103 1433948571 /nfs/dbraw/zinc/94/85/71/1433948571.db2.gz DIBWTKDAURQULH-DQXYTYHJSA-N 2 0 395.469 3.317 20 0 GGADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262667998 1433948741 /nfs/dbraw/zinc/94/87/41/1433948741.db2.gz QJXDJQQSRZQVJW-HSZRJFAPSA-N 2 0 395.547 3.182 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000262677112 1433949413 /nfs/dbraw/zinc/94/94/13/1433949413.db2.gz TZCDUIYCGCKEIY-DYESRHJHSA-N 2 0 396.535 3.033 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000262677614 1433949493 /nfs/dbraw/zinc/94/94/93/1433949493.db2.gz TZCDUIYCGCKEIY-UWJYYQICSA-N 2 0 396.535 3.033 20 0 GGADRP [NH3+]C1(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CCCC1 ZINC000262688434 1433950170 /nfs/dbraw/zinc/95/01/70/1433950170.db2.gz ZHHBVADBQYOUHU-UHFFFAOYSA-N 2 0 392.547 3.214 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCCC1)c1ccccc1 ZINC000262740925 1433953141 /nfs/dbraw/zinc/95/31/41/1433953141.db2.gz JGZGCLZRBQZKMD-AZUAARDMSA-N 2 0 395.551 3.201 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762679 1433954279 /nfs/dbraw/zinc/95/42/79/1433954279.db2.gz DSGHPKFOJDVBST-LLBVYWAGSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762683 1433954339 /nfs/dbraw/zinc/95/43/39/1433954339.db2.gz DSGHPKFOJDVBST-XTQVGHSUSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761805 1433954450 /nfs/dbraw/zinc/95/44/50/1433954450.db2.gz DNEIPCUEABEYTG-YPIYEQTHSA-N 2 0 387.568 3.030 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777285 1433955469 /nfs/dbraw/zinc/95/54/69/1433955469.db2.gz JSKBMYRKXQOQBD-REWPJTCUSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777284 1433955670 /nfs/dbraw/zinc/95/56/70/1433955670.db2.gz JSKBMYRKXQOQBD-OFNKIYASSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796211 1433956910 /nfs/dbraw/zinc/95/69/10/1433956910.db2.gz PPBYINUJIRFNRG-NFBKMPQASA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796222 1433957103 /nfs/dbraw/zinc/95/71/03/1433957103.db2.gz PPBYINUJIRFNRG-REWPJTCUSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812394 1433957989 /nfs/dbraw/zinc/95/79/89/1433957989.db2.gz VMFWESLMBLARIF-GEQKSPFYSA-N 2 0 387.568 3.299 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)C1(C)C ZINC000262815919 1433958509 /nfs/dbraw/zinc/95/85/09/1433958509.db2.gz WMWWJSYRRYWBRH-WIYYLYMNSA-N 2 0 391.581 3.015 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816465 1433958526 /nfs/dbraw/zinc/95/85/26/1433958526.db2.gz WWJKYRHKIMRFMD-WGGBDISSSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816458 1433958617 /nfs/dbraw/zinc/95/86/17/1433958617.db2.gz WWJKYRHKIMRFMD-HCLVMJGWSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262825260 1433959378 /nfs/dbraw/zinc/95/93/78/1433959378.db2.gz ZLPJZHKYJARSQC-MIZPHKNDSA-N 2 0 387.568 3.108 20 0 GGADRP CCC(CC)(CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH2+][C@H](C)c1ccccc1 ZINC000262851948 1433961401 /nfs/dbraw/zinc/96/14/01/1433961401.db2.gz VKKGLBLNLDSZIR-UYAOXDASSA-N 2 0 397.567 3.447 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262917317 1433966769 /nfs/dbraw/zinc/96/67/69/1433966769.db2.gz GLAJDEDSGNAXKF-KNQAVFIVSA-N 2 0 386.540 3.347 20 0 GGADRP [NH3+]Cc1cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc(C(F)(F)F)c1 ZINC000263039978 1433979297 /nfs/dbraw/zinc/97/92/97/1433979297.db2.gz VOTFPPJKKJOKMQ-UHFFFAOYSA-N 2 0 385.430 3.138 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)cc1 ZINC000263225826 1433996973 /nfs/dbraw/zinc/99/69/73/1433996973.db2.gz GMGSDZLJJLKROJ-JITLKJJUSA-N 2 0 385.552 3.102 20 0 GGADRP COc1cccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)c1 ZINC000263280181 1434000258 /nfs/dbraw/zinc/00/02/58/1434000258.db2.gz ZXUWBPRWYQELLW-JWDOZVDXSA-N 2 0 385.552 3.102 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1OC ZINC000263299173 1434001040 /nfs/dbraw/zinc/00/10/40/1434001040.db2.gz WVOQODWDBUNNBX-UTKZUKDTSA-N 2 0 377.529 3.262 20 0 GGADRP CCOc1c(OC)cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000263667985 1434018006 /nfs/dbraw/zinc/01/80/06/1434018006.db2.gz IZPZLMWDWNTLEY-IAGOWNOFSA-N 2 0 380.529 3.082 20 0 GGADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)C[C@@H](C)O1 ZINC000264155340 1434076480 /nfs/dbraw/zinc/07/64/80/1434076480.db2.gz HKKJJZIDBKHFLN-WOJBJXKFSA-N 2 0 399.579 3.244 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000264217284 1434083345 /nfs/dbraw/zinc/08/33/45/1434083345.db2.gz STLQBDUYEVGUFX-QFIPXVFZSA-N 2 0 398.595 3.211 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000264634329 1434137788 /nfs/dbraw/zinc/13/77/88/1434137788.db2.gz DFSDPAFRDLHANA-UHFFFAOYSA-N 2 0 387.568 3.293 20 0 GGADRP COc1cccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000264739912 1434150558 /nfs/dbraw/zinc/15/05/58/1434150558.db2.gz KXEKFUBZHKWQFX-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000264883890 1434162034 /nfs/dbraw/zinc/16/20/34/1434162034.db2.gz IPPDHIZMCLOABU-UHFFFAOYSA-N 2 0 386.584 3.021 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCCC[NH+]2CCN(CC)CC2)cc1 ZINC000265147026 1434190416 /nfs/dbraw/zinc/19/04/16/1434190416.db2.gz XNVLLLJJHUUBOY-UHFFFAOYSA-N 2 0 388.600 3.066 20 0 GGADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000265428214 1434233348 /nfs/dbraw/zinc/23/33/48/1434233348.db2.gz UGWCCQLKMVNPRI-IBGZPJMESA-N 2 0 388.556 3.293 20 0 GGADRP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000266457950 1434339324 /nfs/dbraw/zinc/33/93/24/1434339324.db2.gz YGRMSJDCCUVRPX-UHFFFAOYSA-N 2 0 380.536 3.362 20 0 GGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266651511 1434359106 /nfs/dbraw/zinc/35/91/06/1434359106.db2.gz NZDONADIFFOVKM-UHFFFAOYSA-N 2 0 399.579 3.002 20 0 GGADRP Cc1nccn1-c1ccc(CNC(=O)NCCCCCCC[NH+]2CCCC2)cn1 ZINC000267053365 1434403448 /nfs/dbraw/zinc/40/34/48/1434403448.db2.gz BUNOTXOPBRLNAC-UHFFFAOYSA-N 2 0 398.555 3.421 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078593 1434406035 /nfs/dbraw/zinc/40/60/35/1434406035.db2.gz UNPPQRIRBSDWRF-PGRDOPGGSA-N 2 0 381.495 3.300 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000267141502 1434410176 /nfs/dbraw/zinc/41/01/76/1434410176.db2.gz HDZWDFZGQMMCIF-UHFFFAOYSA-N 2 0 392.547 3.462 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000267191278 1434413368 /nfs/dbraw/zinc/41/33/68/1434413368.db2.gz BKUPPTQHHBRDSH-UHFFFAOYSA-N 2 0 375.557 3.101 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1)C(C)C ZINC000267270356 1434418261 /nfs/dbraw/zinc/41/82/61/1434418261.db2.gz PSZCYKJZJBLMKZ-UHFFFAOYSA-N 2 0 389.584 3.490 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000267302645 1434421016 /nfs/dbraw/zinc/42/10/16/1434421016.db2.gz YBYRBZKDNGTIGZ-UHFFFAOYSA-N 2 0 389.584 3.491 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000267426053 1434431556 /nfs/dbraw/zinc/43/15/56/1434431556.db2.gz QLPOHZMHMXLVGP-BAGYTPMASA-N 2 0 386.584 3.270 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000267426054 1434431598 /nfs/dbraw/zinc/43/15/98/1434431598.db2.gz QLPOHZMHMXLVGP-BVSLBCMMSA-N 2 0 386.584 3.270 20 0 GGADRP CCc1ncc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000267653531 1434453068 /nfs/dbraw/zinc/45/30/68/1434453068.db2.gz VFTBUKDMIFZVLC-UHFFFAOYSA-N 2 0 389.565 3.485 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268431344 1434522033 /nfs/dbraw/zinc/52/20/33/1434522033.db2.gz PDKXPSNHHKDVFX-UHFFFAOYSA-N 2 0 384.948 3.462 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268746559 1434552648 /nfs/dbraw/zinc/55/26/48/1434552648.db2.gz HZXFNTKHFUUMPL-IIBYNOLFSA-N 2 0 388.508 3.028 20 0 GGADRP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268758558 1434553810 /nfs/dbraw/zinc/55/38/10/1434553810.db2.gz MJHRBUQKZIBNIN-KKSFZXQISA-N 2 0 388.508 3.028 20 0 GGADRP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268758556 1434553883 /nfs/dbraw/zinc/55/38/83/1434553883.db2.gz MJHRBUQKZIBNIN-IERDGZPVSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000268767149 1434554676 /nfs/dbraw/zinc/55/46/76/1434554676.db2.gz OAKZBXNQXOYXPL-GHTZIAJQSA-N 2 0 389.588 3.139 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268768036 1434554895 /nfs/dbraw/zinc/55/48/95/1434554895.db2.gz OONKUJAGQZFVMS-SFHVURJKSA-N 2 0 379.508 3.118 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)c(OC)c1 ZINC000268768853 1434555062 /nfs/dbraw/zinc/55/50/62/1434555062.db2.gz OWOGADMGPMHUFA-LJQANCHMSA-N 2 0 384.524 3.092 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770896 1434555340 /nfs/dbraw/zinc/55/53/40/1434555340.db2.gz SLCGIONEMPONKH-ZPMCFJSWSA-N 2 0 384.520 3.237 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000268783867 1434556775 /nfs/dbraw/zinc/55/67/75/1434556775.db2.gz QSGVTWCTJIFFBI-GOSISDBHSA-N 2 0 394.523 3.234 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000268808738 1434559724 /nfs/dbraw/zinc/55/97/24/1434559724.db2.gz CJKFQGNSGBMUAN-QGZVFWFLSA-N 2 0 395.975 3.168 20 0 GGADRP C[C@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCN1Cc1ccccc1 ZINC000268808433 1434559808 /nfs/dbraw/zinc/55/98/08/1434559808.db2.gz LMMSHKOKQOVHQC-NZQKXSOJSA-N 2 0 384.612 3.188 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000268826586 1434561623 /nfs/dbraw/zinc/56/16/23/1434561623.db2.gz PRLPIOWRHIWTNL-HXUWFJFHSA-N 2 0 399.583 3.008 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839550 1434563136 /nfs/dbraw/zinc/56/31/36/1434563136.db2.gz QMSRHMPWNJLMAT-DYESRHJHSA-N 2 0 387.549 3.201 20 0 GGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000268861673 1434565625 /nfs/dbraw/zinc/56/56/25/1434565625.db2.gz HWMXAMCNRGBETK-SFHVURJKSA-N 2 0 397.519 3.477 20 0 GGADRP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000268865848 1434565837 /nfs/dbraw/zinc/56/58/37/1434565837.db2.gz SMYFVOAQDSPGMW-IBGZPJMESA-N 2 0 385.474 3.153 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268865899 1434565882 /nfs/dbraw/zinc/56/58/82/1434565882.db2.gz KNIBGPXCVQTDRV-MOPGFXCFSA-N 2 0 389.588 3.141 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000268877742 1434567222 /nfs/dbraw/zinc/56/72/22/1434567222.db2.gz ZELPYGYSMIVVBB-QRVBRYPASA-N 2 0 394.556 3.260 20 0 GGADRP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268911088 1434570206 /nfs/dbraw/zinc/57/02/06/1434570206.db2.gz NAVKNKQMONZMCJ-ZHRRBRCNSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000268921074 1434571272 /nfs/dbraw/zinc/57/12/72/1434571272.db2.gz QEIJHDLSKDYIDW-GOSISDBHSA-N 2 0 389.588 3.141 20 0 GGADRP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268960707 1434575764 /nfs/dbraw/zinc/57/57/64/1434575764.db2.gz XNFBBUNRYCFPIY-ZHRRBRCNSA-N 2 0 388.508 3.028 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269169420 1434600901 /nfs/dbraw/zinc/60/09/01/1434600901.db2.gz RBPHSFGDLITPND-YADHBBJMSA-N 2 0 387.568 3.026 20 0 GGADRP [NH3+]C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000269224689 1434609533 /nfs/dbraw/zinc/60/95/33/1434609533.db2.gz CCJABPUJPUZFAG-NRFANRHFSA-N 2 0 394.519 3.182 20 0 GGADRP [NH3+]C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000269226775 1434610157 /nfs/dbraw/zinc/61/01/57/1434610157.db2.gz AMEFMHRJKWVZGL-NRFANRHFSA-N 2 0 394.519 3.182 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000269260057 1434615028 /nfs/dbraw/zinc/61/50/28/1434615028.db2.gz MCYIMHDESVQZQF-JTSKRJEESA-N 2 0 399.510 3.121 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264510 1434615191 /nfs/dbraw/zinc/61/51/91/1434615191.db2.gz OOHOPEYCOHXUBQ-GCJKJVERSA-N 2 0 380.536 3.412 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264509 1434615215 /nfs/dbraw/zinc/61/52/15/1434615215.db2.gz OOHOPEYCOHXUBQ-AVRDEDQJSA-N 2 0 380.536 3.412 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269283525 1434617354 /nfs/dbraw/zinc/61/73/54/1434617354.db2.gz GXLNOESRQFGCNK-VGOFRKELSA-N 2 0 396.535 3.112 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCCCC[NH3+])CC1 ZINC000269292993 1434618842 /nfs/dbraw/zinc/61/88/42/1434618842.db2.gz MGRIJNWMPJARDG-KRWDZBQOSA-N 2 0 378.536 3.054 20 0 GGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269704636 1434670858 /nfs/dbraw/zinc/67/08/58/1434670858.db2.gz QJYSRBCGWRDHGF-GMAHTHKFSA-N 2 0 381.564 3.374 20 0 GGADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000270050848 1434696808 /nfs/dbraw/zinc/69/68/08/1434696808.db2.gz MFLVEDFWJVHZFP-NRFANRHFSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)CC1 ZINC000270064245 1434698717 /nfs/dbraw/zinc/69/87/17/1434698717.db2.gz GZOLKSXHNCJTEN-QFIPXVFZSA-N 2 0 384.568 3.156 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(OCC[NH+](C)C)c1 ZINC000270091079 1434701899 /nfs/dbraw/zinc/70/18/99/1434701899.db2.gz BTUGMPJAQHRXMZ-IBGZPJMESA-N 2 0 388.556 3.131 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270218335 1434714132 /nfs/dbraw/zinc/71/41/32/1434714132.db2.gz MILVXRMHOKWMJA-UEVCKROQSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000270246449 1434716161 /nfs/dbraw/zinc/71/61/61/1434716161.db2.gz PWOVBONSOKNCRI-WTIAFYNJSA-N 2 0 398.595 3.413 20 0 GGADRP CCOCc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000271172860 1434806187 /nfs/dbraw/zinc/80/61/87/1434806187.db2.gz AOTWWTSJRRAWHX-UHFFFAOYSA-N 2 0 389.584 3.222 20 0 GGADRP COCCCOc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000271179114 1434806484 /nfs/dbraw/zinc/80/64/84/1434806484.db2.gz JFDMFOZFMPSDPP-UHFFFAOYSA-N 2 0 376.541 3.179 20 0 GGADRP CCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC000271206637 1434808245 /nfs/dbraw/zinc/80/82/45/1434808245.db2.gz KHSIMEPVUMDHPZ-UHFFFAOYSA-N 2 0 389.584 3.474 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271242154 1434810500 /nfs/dbraw/zinc/81/05/00/1434810500.db2.gz YZWFFMQOMNIXJL-UHFFFAOYSA-N 2 0 397.567 3.076 20 0 GGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)CC1 ZINC000271394181 1434821593 /nfs/dbraw/zinc/82/15/93/1434821593.db2.gz LTZNXWZTSWTPNR-QFIPXVFZSA-N 2 0 382.552 3.439 20 0 GGADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)CC1 ZINC000271394178 1434821619 /nfs/dbraw/zinc/82/16/19/1434821619.db2.gz LTZNXWZTSWTPNR-JOCHJYFZSA-N 2 0 382.552 3.439 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271452996 1434826026 /nfs/dbraw/zinc/82/60/26/1434826026.db2.gz ZCOXAOYKSRMOMK-HNNXBMFYSA-N 2 0 377.554 3.432 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000271473050 1434827642 /nfs/dbraw/zinc/82/76/42/1434827642.db2.gz JGZHYKDICOIMFM-SFHVURJKSA-N 2 0 391.519 3.015 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271517207 1434831270 /nfs/dbraw/zinc/83/12/70/1434831270.db2.gz OZUBKSFAAPWONK-ZLGUVYLKSA-N 2 0 388.556 3.245 20 0 GGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000271537333 1434833039 /nfs/dbraw/zinc/83/30/39/1434833039.db2.gz SCRCHKFLAIRGNH-XKQJLSEDSA-N 2 0 384.467 3.325 20 0 GGADRP O=C(C[NH2+][C@@H](CCCO)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000271834661 1434853572 /nfs/dbraw/zinc/85/35/72/1434853572.db2.gz UXHNDDLIQFYOKN-QHCPKHFHSA-N 2 0 395.547 3.002 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271869186 1434855928 /nfs/dbraw/zinc/85/59/28/1434855928.db2.gz JRGJDCALBQMGMB-VQIMIIECSA-N 2 0 394.922 3.033 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271869183 1434855968 /nfs/dbraw/zinc/85/59/68/1434855968.db2.gz JRGJDCALBQMGMB-QFBILLFUSA-N 2 0 394.922 3.033 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271869180 1434856022 /nfs/dbraw/zinc/85/60/22/1434856022.db2.gz JRGJDCALBQMGMB-LPHOPBHVSA-N 2 0 394.922 3.033 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271872981 1434856121 /nfs/dbraw/zinc/85/61/21/1434856121.db2.gz QQLMBYADQLVVJE-INIZCTEOSA-N 2 0 375.538 3.027 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271872129 1434856145 /nfs/dbraw/zinc/85/61/45/1434856145.db2.gz QLPHOBDBONHNTA-QGZVFWFLSA-N 2 0 387.549 3.171 20 0 GGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000272126162 1434873798 /nfs/dbraw/zinc/87/37/98/1434873798.db2.gz VDOSRTBCROLXLG-UHFFFAOYSA-N 2 0 392.547 3.476 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272160667 1434875506 /nfs/dbraw/zinc/87/55/06/1434875506.db2.gz DMBSQJVDVIMLFY-JQHSSLGASA-N 2 0 383.458 3.040 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272305630 1434885760 /nfs/dbraw/zinc/88/57/60/1434885760.db2.gz JTFAGWACWDNWID-BVSLBCMMSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307550 1434885872 /nfs/dbraw/zinc/88/58/72/1434885872.db2.gz IDQGIOIDJWCVLW-QUCCMNQESA-N 2 0 381.520 3.384 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307553 1434885930 /nfs/dbraw/zinc/88/59/30/1434885930.db2.gz IDQGIOIDJWCVLW-UYAOXDASSA-N 2 0 381.520 3.384 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272341706 1434888577 /nfs/dbraw/zinc/88/85/77/1434888577.db2.gz BWTFKUSJKVNJHX-CTNGQTDRSA-N 2 0 398.551 3.263 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272553212 1434906960 /nfs/dbraw/zinc/90/69/60/1434906960.db2.gz SWTQIEULIJWCBK-LQBOVUBWSA-N 2 0 384.520 3.237 20 0 GGADRP C[C@@H](NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1=CC[NH+](C)CC1 ZINC000272650662 1434919629 /nfs/dbraw/zinc/91/96/29/1434919629.db2.gz AOULGMCKRWWWAB-LJQANCHMSA-N 2 0 384.568 3.190 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272659471 1434920387 /nfs/dbraw/zinc/92/03/87/1434920387.db2.gz MPKDFGIKIDMJAL-SIKLNZKXSA-N 2 0 392.547 3.186 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668507 1434921225 /nfs/dbraw/zinc/92/12/25/1434921225.db2.gz OSHQSZFYVHHGTR-AUSIDOKSSA-N 2 0 375.520 3.327 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000272794025 1434931475 /nfs/dbraw/zinc/93/14/75/1434931475.db2.gz YAEIIKGCTRRMOR-FDDCHVKYSA-N 2 0 376.504 3.290 20 0 GGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000272794232 1434931487 /nfs/dbraw/zinc/93/14/87/1434931487.db2.gz YICIHTWMAIFITJ-XMMPIXPASA-N 2 0 379.548 3.402 20 0 GGADRP C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272837631 1434935061 /nfs/dbraw/zinc/93/50/61/1434935061.db2.gz QUKWBPMHLISRJB-IVGWJTKZSA-N 2 0 385.596 3.255 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000272943977 1434942795 /nfs/dbraw/zinc/94/27/95/1434942795.db2.gz CMQAJZPXJLWIPF-JOCHJYFZSA-N 2 0 395.478 3.237 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000272963371 1434944803 /nfs/dbraw/zinc/94/48/03/1434944803.db2.gz NRGXXKXVEKXJSB-PMOQBDJRSA-N 2 0 396.579 3.333 20 0 GGADRP C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000273000283 1434948526 /nfs/dbraw/zinc/94/85/26/1434948526.db2.gz RDGMFJMIANUKDP-JXFKEZNVSA-N 2 0 395.469 3.208 20 0 GGADRP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000273045701 1434954552 /nfs/dbraw/zinc/95/45/52/1434954552.db2.gz PXLHJTLZCMGBHT-UPYVZJKUSA-N 2 0 384.568 3.199 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000273340817 1434981930 /nfs/dbraw/zinc/98/19/30/1434981930.db2.gz LBMFFOQGSQSLRP-SFHVURJKSA-N 2 0 383.536 3.454 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000273369339 1434983800 /nfs/dbraw/zinc/98/38/00/1434983800.db2.gz GNISTCNLLXUPKB-IBGZPJMESA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273407910 1434986824 /nfs/dbraw/zinc/98/68/24/1434986824.db2.gz IDTKAEWLYQCSPD-JQVVWYNYSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273418949 1434987705 /nfs/dbraw/zinc/98/77/05/1434987705.db2.gz KKWRSAUCMWYLLG-KNKQGSTJSA-N 2 0 386.584 3.269 20 0 GGADRP CS[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1[NH+]1CCCC1 ZINC000273532601 1434994988 /nfs/dbraw/zinc/99/49/88/1434994988.db2.gz RKVLNNOBRVNBFG-HKUYNNGSSA-N 2 0 387.549 3.146 20 0 GGADRP CS[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1[NH+]1CCCC1 ZINC000273532604 1434995025 /nfs/dbraw/zinc/99/50/25/1434995025.db2.gz RKVLNNOBRVNBFG-PKOBYXMFSA-N 2 0 387.549 3.146 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000273568867 1434997376 /nfs/dbraw/zinc/99/73/76/1434997376.db2.gz GGCVLNAAFAALMD-YTFSRNRJSA-N 2 0 387.568 3.033 20 0 GGADRP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000274425733 1435070212 /nfs/dbraw/zinc/07/02/12/1435070212.db2.gz PHRPGJNXOIMZMO-HXUWFJFHSA-N 2 0 386.540 3.231 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274741651 1435088876 /nfs/dbraw/zinc/08/88/76/1435088876.db2.gz FIXLQNALLOWVGG-RRPUWOKSSA-N 2 0 392.547 3.073 20 0 GGADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274820774 1435095414 /nfs/dbraw/zinc/09/54/14/1435095414.db2.gz BOLZZOUFCNIXAK-RBBKRZOGSA-N 3 0 384.612 3.045 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000274830425 1435096283 /nfs/dbraw/zinc/09/62/83/1435096283.db2.gz JKXQRXYUWTUIIH-UYAOXDASSA-N 2 0 386.540 3.396 20 0 GGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000274845547 1435097463 /nfs/dbraw/zinc/09/74/63/1435097463.db2.gz GGFLRRPWQWVZRZ-HNNXBMFYSA-N 2 0 378.536 3.461 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274872577 1435100062 /nfs/dbraw/zinc/10/00/62/1435100062.db2.gz GAQFUJFSMGCHGW-GCJKJVERSA-N 2 0 386.561 3.231 20 0 GGADRP C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274879272 1435100455 /nfs/dbraw/zinc/10/04/55/1435100455.db2.gz HGNACYXJIQRQMX-GHTZIAJQSA-N 2 0 381.520 3.012 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927830 1435104103 /nfs/dbraw/zinc/10/41/03/1435104103.db2.gz QFMRSGQCVFQHMV-LYHRCORUSA-N 2 0 384.520 3.237 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927827 1435104124 /nfs/dbraw/zinc/10/41/24/1435104124.db2.gz QFMRSGQCVFQHMV-HFJQGTKSSA-N 2 0 384.520 3.237 20 0 GGADRP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000275532393 1435146187 /nfs/dbraw/zinc/14/61/87/1435146187.db2.gz LYUIFJZCXPHMQF-YWCCWUOUSA-N 2 0 394.563 3.481 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275614143 1435152906 /nfs/dbraw/zinc/15/29/06/1435152906.db2.gz IUPFYMLZXLYLQG-UHFFFAOYSA-N 2 0 395.551 3.495 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000275716915 1435162494 /nfs/dbraw/zinc/16/24/94/1435162494.db2.gz VKSXNZVBLPGPOM-QUCCMNQESA-N 2 0 390.572 3.049 20 0 GGADRP COc1cccc([C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)[NH+](C)C)c1 ZINC000275736136 1435163989 /nfs/dbraw/zinc/16/39/89/1435163989.db2.gz XXPKNTFCMCFMBN-NRFANRHFSA-N 2 0 384.524 3.224 20 0 GGADRP C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000275761876 1435166679 /nfs/dbraw/zinc/16/66/79/1435166679.db2.gz UQVSTTNVUYBWCK-UHFFFAOYSA-N 2 0 394.519 3.311 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000275804079 1435171176 /nfs/dbraw/zinc/17/11/76/1435171176.db2.gz DFKIVBIOIIFIGL-VABKMULXSA-N 2 0 397.567 3.075 20 0 GGADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000275882064 1435176792 /nfs/dbraw/zinc/17/67/92/1435176792.db2.gz PHZILVSWEIWOGQ-UHFFFAOYSA-N 2 0 381.520 3.200 20 0 GGADRP C[NH+](C)CCc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000276122075 1435192381 /nfs/dbraw/zinc/19/23/81/1435192381.db2.gz BPEYCXWTGASNST-UHFFFAOYSA-N 2 0 379.548 3.319 20 0 GGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276355953 1435206704 /nfs/dbraw/zinc/20/67/04/1435206704.db2.gz IAOYHASGZODKNU-NRFANRHFSA-N 2 0 389.588 3.057 20 0 GGADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)cc1 ZINC000276455318 1435212287 /nfs/dbraw/zinc/21/22/87/1435212287.db2.gz WXZZGRLXGFOAIM-UHFFFAOYSA-N 2 0 390.572 3.095 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000276458063 1435212305 /nfs/dbraw/zinc/21/23/05/1435212305.db2.gz BSEUDLQWOKCLMG-HNNXBMFYSA-N 2 0 391.537 3.154 20 0 GGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276585975 1435218992 /nfs/dbraw/zinc/21/89/92/1435218992.db2.gz ITSKDTNYARGNGT-UHFFFAOYSA-N 2 0 381.545 3.176 20 0 GGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276709275 1435226884 /nfs/dbraw/zinc/22/68/84/1435226884.db2.gz WMDWWGQQTBIXBT-UHFFFAOYSA-N 2 0 385.474 3.111 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000276728384 1435228259 /nfs/dbraw/zinc/22/82/59/1435228259.db2.gz YHQRJLSKILIFED-DVECYGJZSA-N 2 0 391.559 3.500 20 0 GGADRP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000276728389 1435228305 /nfs/dbraw/zinc/22/83/05/1435228305.db2.gz YHQRJLSKILIFED-YADARESESA-N 2 0 391.559 3.500 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000276737752 1435228982 /nfs/dbraw/zinc/22/89/82/1435228982.db2.gz AKWNZCPJFIKJIR-PXNSSMCTSA-N 2 0 381.524 3.434 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276748705 1435229804 /nfs/dbraw/zinc/22/98/04/1435229804.db2.gz HIKGUZKWDLUXIL-INIZCTEOSA-N 2 0 377.529 3.133 20 0 GGADRP CCCn1ccnc1CCCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000277114250 1435263494 /nfs/dbraw/zinc/26/34/94/1435263494.db2.gz YAMXQJIDMVQKOE-FQEVSTJZSA-N 2 0 385.556 3.040 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000277145314 1435268328 /nfs/dbraw/zinc/26/83/28/1435268328.db2.gz PSBIKGHVWXOXFC-HXUWFJFHSA-N 2 0 390.597 3.226 20 0 GGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1O ZINC000277183986 1435274928 /nfs/dbraw/zinc/27/49/28/1435274928.db2.gz IBTBHRATNRFGKE-GOSISDBHSA-N 2 0 398.547 3.468 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1O ZINC000277242883 1435283961 /nfs/dbraw/zinc/28/39/61/1435283961.db2.gz ONGRNKVIRAVWHA-VDGAXYAQSA-N 2 0 376.541 3.079 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000277870791 1435338004 /nfs/dbraw/zinc/33/80/04/1435338004.db2.gz VEUPUOKUDFTJKO-UHFFFAOYSA-N 2 0 384.568 3.133 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278031555 1435351961 /nfs/dbraw/zinc/35/19/61/1435351961.db2.gz KCRRPKLQQPCBMH-XMSQKQJNSA-N 2 0 384.568 3.071 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278105136 1435359873 /nfs/dbraw/zinc/35/98/73/1435359873.db2.gz JSVSIJARDAVNQT-JOCHJYFZSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278289486 1435376683 /nfs/dbraw/zinc/37/66/83/1435376683.db2.gz ZPGQHJCAFXBHFZ-WIYYLYMNSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278289473 1435376827 /nfs/dbraw/zinc/37/68/27/1435376827.db2.gz ZPGQHJCAFXBHFZ-GHTZIAJQSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363130 1435383998 /nfs/dbraw/zinc/38/39/98/1435383998.db2.gz BMDUAHMERJCHLX-OALUTQOASA-N 2 0 386.540 3.151 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278371584 1435384823 /nfs/dbraw/zinc/38/48/23/1435384823.db2.gz BZGHCNPNMKHCLI-MOPGFXCFSA-N 2 0 386.540 3.092 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278373408 1435385121 /nfs/dbraw/zinc/38/51/21/1435385121.db2.gz BZGHCNPNMKHCLI-RTBURBONSA-N 2 0 386.540 3.092 20 0 GGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000278552807 1435399469 /nfs/dbraw/zinc/39/94/69/1435399469.db2.gz VZSJYFZJBFSNJA-UHFFFAOYSA-N 2 0 375.944 3.409 20 0 GGADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000278896642 1435437232 /nfs/dbraw/zinc/43/72/32/1435437232.db2.gz RAHXPGDBXICRQO-FQEVSTJZSA-N 2 0 399.579 3.000 20 0 GGADRP CCCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000279104960 1435460847 /nfs/dbraw/zinc/46/08/47/1435460847.db2.gz XRIXHNPNOULYBH-VQTJNVASSA-N 2 0 395.551 3.003 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279533823 1435510470 /nfs/dbraw/zinc/51/04/70/1435510470.db2.gz UWQLBTBONCJXDR-QAPCUYQASA-N 2 0 379.907 3.217 20 0 GGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000279552229 1435512289 /nfs/dbraw/zinc/51/22/89/1435512289.db2.gz BGIOVZAQABPQBA-ROUUACIJSA-N 2 0 398.551 3.132 20 0 GGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279705290 1435532768 /nfs/dbraw/zinc/53/27/68/1435532768.db2.gz KEVRMIDLPAPNQS-DNRQZRRGSA-N 2 0 395.591 3.234 20 0 GGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279705291 1435532952 /nfs/dbraw/zinc/53/29/52/1435532952.db2.gz KEVRMIDLPAPNQS-OTPAQWSUSA-N 2 0 395.591 3.234 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000279851868 1435551820 /nfs/dbraw/zinc/55/18/20/1435551820.db2.gz IKCFBNMJWPNDOY-QZTJIDSGSA-N 2 0 398.551 3.132 20 0 GGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000279851879 1435552024 /nfs/dbraw/zinc/55/20/24/1435552024.db2.gz IKCFBNMJWPNDOY-ZWKOTPCHSA-N 2 0 398.551 3.132 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000279907294 1435561212 /nfs/dbraw/zinc/56/12/12/1435561212.db2.gz LPLKNVOKYAYWTA-MOPGFXCFSA-N 2 0 377.573 3.203 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000280108695 1435593649 /nfs/dbraw/zinc/59/36/49/1435593649.db2.gz NNDZRGAWRRQDSG-HNNXBMFYSA-N 2 0 396.578 3.333 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000280108701 1435593665 /nfs/dbraw/zinc/59/36/65/1435593665.db2.gz NNDZRGAWRRQDSG-OAHLLOKOSA-N 2 0 396.578 3.333 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)[C@H](C)C1 ZINC000280125746 1435596253 /nfs/dbraw/zinc/59/62/53/1435596253.db2.gz AIJVZKBYGCBMMO-VQIMIIECSA-N 2 0 391.947 3.147 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000280168810 1435602467 /nfs/dbraw/zinc/60/24/67/1435602467.db2.gz RBOUTSWYTDHABA-QFIPXVFZSA-N 2 0 396.531 3.438 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CC2 ZINC000280218768 1435610940 /nfs/dbraw/zinc/61/09/40/1435610940.db2.gz UNVRVQBKIIPRLI-QFIPXVFZSA-N 2 0 395.547 3.228 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC000280310644 1435632325 /nfs/dbraw/zinc/63/23/25/1435632325.db2.gz OSEKRDJXURBXAX-WOUAJJJCSA-N 2 0 376.541 3.163 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)c4ccccc4)nc3)C2)CC1 ZINC000280619229 1435690358 /nfs/dbraw/zinc/69/03/58/1435690358.db2.gz BKYLDNHMYMRQJV-JOCHJYFZSA-N 2 0 379.552 3.061 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280784354 1435720005 /nfs/dbraw/zinc/72/00/05/1435720005.db2.gz FXMWWFBXSUCGHE-GUDVDZBRSA-N 2 0 377.573 3.059 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280784346 1435720196 /nfs/dbraw/zinc/72/01/96/1435720196.db2.gz FXMWWFBXSUCGHE-CEXWTWQISA-N 2 0 377.573 3.059 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280906978 1435740105 /nfs/dbraw/zinc/74/01/05/1435740105.db2.gz OUPVWKGNHWBVRF-UHFFFAOYSA-N 2 0 394.494 3.258 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000280959378 1435747870 /nfs/dbraw/zinc/74/78/70/1435747870.db2.gz SFZFEFKKIAJUMS-KURKYZTESA-N 2 0 376.541 3.286 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000281136135 1435781871 /nfs/dbraw/zinc/78/18/71/1435781871.db2.gz FLPGLAWBKVKRNW-FPOVZHCZSA-N 2 0 379.552 3.353 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000281136129 1435782049 /nfs/dbraw/zinc/78/20/49/1435782049.db2.gz FLPGLAWBKVKRNW-CTNGQTDRSA-N 2 0 379.552 3.353 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000281258854 1435801181 /nfs/dbraw/zinc/80/11/81/1435801181.db2.gz OJIHORDPVKHZBI-LEWJYISDSA-N 2 0 379.552 3.353 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccnn1-c1ccccc1 ZINC000281634686 1435816634 /nfs/dbraw/zinc/81/66/34/1435816634.db2.gz OPRZIBLJPXXTGM-GOSISDBHSA-N 2 0 391.519 3.015 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000281919050 1435826802 /nfs/dbraw/zinc/82/68/02/1435826802.db2.gz GZRBVBORRKJJKU-UHFFFAOYSA-N 2 0 394.563 3.439 20 0 GGADRP Cc1nc2ccccc2n1C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000282059773 1435832975 /nfs/dbraw/zinc/83/29/75/1435832975.db2.gz MOJJHURKEZWTCO-UHFFFAOYSA-N 2 0 383.584 3.398 20 0 GGADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000282149944 1435836530 /nfs/dbraw/zinc/83/65/30/1435836530.db2.gz LBWQBPHGTAXGJZ-REWPJTCUSA-N 2 0 390.568 3.471 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)s2)cn1 ZINC000282337667 1435843703 /nfs/dbraw/zinc/84/37/03/1435843703.db2.gz VRFPGORAMHVVPQ-UHFFFAOYSA-N 2 0 396.560 3.395 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000282423920 1435846676 /nfs/dbraw/zinc/84/66/76/1435846676.db2.gz SUGNYRFSWLRWJS-IBGZPJMESA-N 2 0 375.516 3.382 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282473410 1435848521 /nfs/dbraw/zinc/84/85/21/1435848521.db2.gz WMBKNITVRKXIHT-IBGZPJMESA-N 2 0 375.516 3.382 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000282557314 1435851472 /nfs/dbraw/zinc/85/14/72/1435851472.db2.gz XRAVQXIKNMZPRB-NRFANRHFSA-N 2 0 384.568 3.213 20 0 GGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(-c2cnn(C)c2)c1 ZINC000282655314 1435855283 /nfs/dbraw/zinc/85/52/83/1435855283.db2.gz MHZZSHKUOUAHML-QHCPKHFHSA-N 2 0 390.531 3.252 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000282662637 1435855616 /nfs/dbraw/zinc/85/56/16/1435855616.db2.gz MCKTZOIYCFRCKN-UHFFFAOYSA-N 2 0 393.522 3.276 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000282668519 1435855756 /nfs/dbraw/zinc/85/57/56/1435855756.db2.gz GTWPNJIBLSFGQE-FPOVZHCZSA-N 2 0 384.568 3.071 20 0 GGADRP Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282798534 1435860820 /nfs/dbraw/zinc/86/08/20/1435860820.db2.gz MXOCEPUEFIHBHX-UHFFFAOYSA-N 2 0 382.552 3.472 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282825286 1435861852 /nfs/dbraw/zinc/86/18/52/1435861852.db2.gz JGVMXJCKXNWRSU-LEWJYISDSA-N 2 0 386.584 3.270 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282837352 1435862373 /nfs/dbraw/zinc/86/23/73/1435862373.db2.gz STUOQJBKRSRQTJ-NRFANRHFSA-N 2 0 386.584 3.270 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000282994079 1435869367 /nfs/dbraw/zinc/86/93/67/1435869367.db2.gz FSQVKOLDUVOGOX-CIAFKFPVSA-N 2 0 386.536 3.136 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2ccccc21 ZINC000283167104 1435877544 /nfs/dbraw/zinc/87/75/44/1435877544.db2.gz IXNXUQPMDIGDBX-YADHBBJMSA-N 2 0 387.568 3.176 20 0 GGADRP CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000283226716 1435880173 /nfs/dbraw/zinc/88/01/73/1435880173.db2.gz IIHKUYZMZOSAJX-GOSISDBHSA-N 2 0 385.556 3.366 20 0 GGADRP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC12CCOCC2 ZINC000283468535 1435891199 /nfs/dbraw/zinc/89/11/99/1435891199.db2.gz WAVSNMQABCCXSI-IACLWVNRSA-N 2 0 384.564 3.054 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c2ccccc21 ZINC000283482683 1435891904 /nfs/dbraw/zinc/89/19/04/1435891904.db2.gz XGFDGYXUUSOMLV-BWAGFHJFSA-N 2 0 387.568 3.031 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489291 1435892231 /nfs/dbraw/zinc/89/22/31/1435892231.db2.gz XVSKQIJQVXAFSK-RTWAWAEBSA-N 2 0 397.519 3.293 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000283873995 1435941965 /nfs/dbraw/zinc/94/19/65/1435941965.db2.gz IUMFWBCCVLZKJS-UHFFFAOYSA-N 2 0 389.975 3.092 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC2(CCOCC2)CC1 ZINC000283969449 1435964400 /nfs/dbraw/zinc/96/44/00/1435964400.db2.gz CICKDCFTNDPCFA-HXUWFJFHSA-N 2 0 399.579 3.048 20 0 GGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000284104639 1435990471 /nfs/dbraw/zinc/99/04/71/1435990471.db2.gz MSIQCXNVTXSKLY-XWGVYQGASA-N 2 0 383.580 3.226 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)cc2)CC1 ZINC000284252415 1436007505 /nfs/dbraw/zinc/00/75/05/1436007505.db2.gz FTPOKSMFSSJGII-UHFFFAOYSA-N 2 0 381.568 3.201 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293450 1436010649 /nfs/dbraw/zinc/01/06/49/1436010649.db2.gz YDGVYGDMIBRDLZ-ICSRJNTNSA-N 2 0 387.568 3.396 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2)CC1 ZINC001164388264 718815822 /nfs/dbraw/zinc/81/58/22/718815822.db2.gz OCXJZXWXVZLEJA-GOSISDBHSA-N 3 0 398.473 3.065 20 0 GGADRP Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164629171 719058237 /nfs/dbraw/zinc/05/82/37/719058237.db2.gz WHKLCWHORMEUSB-RTWAWAEBSA-N 2 0 377.536 3.486 20 0 GGADRP Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164629172 719058451 /nfs/dbraw/zinc/05/84/51/719058451.db2.gz WHKLCWHORMEUSB-SFTDATJTSA-N 2 0 377.536 3.486 20 0 GGADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(C5CC[NH2+]CC5)n4)[C@H]3C2)cc1 ZINC001164628798 719088908 /nfs/dbraw/zinc/08/89/08/719088908.db2.gz OIPOAXXVQQFWJO-IRLDBZIGSA-N 2 0 377.536 3.044 20 0 GGADRP Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)C[NH2+]CC2 ZINC001164629897 719093867 /nfs/dbraw/zinc/09/38/67/719093867.db2.gz UCNHHZGWWCFZSM-UTKZUKDTSA-N 2 0 382.939 3.482 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679762 719649969 /nfs/dbraw/zinc/64/99/69/719649969.db2.gz MKWSAQBVXOIXMO-NRFANRHFSA-N 2 0 396.583 3.300 20 0 GGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164712710 720098635 /nfs/dbraw/zinc/09/86/35/720098635.db2.gz YLJQYUAMYBGTQR-IBGZPJMESA-N 2 0 391.519 3.465 20 0 GGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164717481 720116960 /nfs/dbraw/zinc/11/69/60/720116960.db2.gz PIARAWRPIYUFEM-OAQYLSRUSA-N 2 0 395.551 3.050 20 0 GGADRP Cc1cc2ccccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164823297 720328635 /nfs/dbraw/zinc/32/86/35/720328635.db2.gz AIUWZEYXKLRZCT-YADHBBJMSA-N 2 0 392.547 3.455 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1 ZINC001164735011 720532554 /nfs/dbraw/zinc/53/25/54/720532554.db2.gz MPBGMTOURNUCEH-CTNGQTDRSA-N 2 0 396.583 3.413 20 0 GGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164842454 720570001 /nfs/dbraw/zinc/57/00/01/720570001.db2.gz XMZSLXHNGPXTIF-BVSLBCMMSA-N 2 0 394.567 3.256 20 0 GGADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842452 720571112 /nfs/dbraw/zinc/57/11/12/720571112.db2.gz XMZSLXHNGPXTIF-BAGYTPMASA-N 2 0 394.567 3.256 20 0 GGADRP CN(C)c1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164842764 720666484 /nfs/dbraw/zinc/66/64/84/720666484.db2.gz UBKWJGZKKPTAFG-HXUWFJFHSA-N 2 0 380.536 3.408 20 0 GGADRP Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C[NH3+])c1 ZINC001164842881 720704583 /nfs/dbraw/zinc/70/45/83/720704583.db2.gz ZQSOCMDIXSRRPA-OAQYLSRUSA-N 2 0 380.536 3.109 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C[NH+]1CCCC1)[C@H]2C ZINC001164864806 721019572 /nfs/dbraw/zinc/01/95/72/721019572.db2.gz ZOIPPXGECIEQIE-SFHVURJKSA-N 2 0 382.556 3.295 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c2)CC1 ZINC001164883209 721359090 /nfs/dbraw/zinc/35/90/90/721359090.db2.gz OEEMSHQGUKXAPZ-OALUTQOASA-N 2 0 398.532 3.000 20 0 GGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164791244 721468892 /nfs/dbraw/zinc/46/88/92/721468892.db2.gz VYKFUTLJBMRKNK-OAQYLSRUSA-N 2 0 387.568 3.432 20 0 GGADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164793800 721490964 /nfs/dbraw/zinc/49/09/64/721490964.db2.gz WVUNCGKKQWAPCD-UHFFFAOYSA-N 2 0 377.536 3.003 20 0 GGADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164904829 721552943 /nfs/dbraw/zinc/55/29/43/721552943.db2.gz FZJKEXCNBJTOMI-IRLDBZIGSA-N 2 0 396.510 3.158 20 0 GGADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908716 721557773 /nfs/dbraw/zinc/55/77/73/721557773.db2.gz RTIWCLSPQQSVHJ-IRLDBZIGSA-N 2 0 396.510 3.157 20 0 GGADRP Fc1ccc(-c2nn(-c3ccc(C[NH+]4CCCC4)cn3)c3c2CC[NH2+]CC3)cc1 ZINC001164799485 721597349 /nfs/dbraw/zinc/59/73/49/721597349.db2.gz MIZQOGJCSFSWAB-UHFFFAOYSA-N 2 0 391.494 3.357 20 0 GGADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027564 721827613 /nfs/dbraw/zinc/82/76/13/721827613.db2.gz SQTJEPJGKZLPJF-ILWGZMRPSA-N 2 0 379.552 3.275 20 0 GGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)C[C@@H]21 ZINC001165030228 721828187 /nfs/dbraw/zinc/82/81/87/721828187.db2.gz ZCABJOJTVPAOFL-BVYCBKJFSA-N 2 0 388.519 3.399 20 0 GGADRP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164925200 721867546 /nfs/dbraw/zinc/86/75/46/721867546.db2.gz MXGXBVOWZMLJID-DHIUTWEWSA-N 2 0 389.547 3.299 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC[NH+]3CCN(C)C)nc1 ZINC001164930927 721887371 /nfs/dbraw/zinc/88/73/71/721887371.db2.gz DKFFTFBTBAZMQZ-FSSWDIPSSA-N 2 0 385.600 3.233 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC[NH+]3CCN(C)C)nc1 ZINC001164930926 721887625 /nfs/dbraw/zinc/88/76/25/721887625.db2.gz DKFFTFBTBAZMQZ-BHIFYINESA-N 2 0 385.600 3.233 20 0 GGADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164937822 721914633 /nfs/dbraw/zinc/91/46/33/721914633.db2.gz RVOZSOZQVPVWFN-KDURUIRLSA-N 2 0 398.576 3.375 20 0 GGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(N(C)C)[nH+]4)CC3)C2)cc1 ZINC001164937895 721922155 /nfs/dbraw/zinc/92/21/55/721922155.db2.gz GYAZZRLNKGGIFZ-UHFFFAOYSA-N 2 0 380.536 3.327 20 0 GGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C)cc4C[NH3+])CC3)C2)cc1 ZINC001164939409 721929932 /nfs/dbraw/zinc/92/99/32/721929932.db2.gz KKFWHZNCOUHXFS-UHFFFAOYSA-N 2 0 380.536 3.029 20 0 GGADRP Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164955404 722013095 /nfs/dbraw/zinc/01/30/95/722013095.db2.gz VNEZLPZPHQUQMN-UHFFFAOYSA-N 2 0 392.551 3.273 20 0 GGADRP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962170 722056789 /nfs/dbraw/zinc/05/67/89/722056789.db2.gz AAAZPISZSCTRNL-UHFFFAOYSA-N 2 0 396.535 3.383 20 0 GGADRP Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000188920121 1126077119 /nfs/dbraw/zinc/07/71/19/1126077119.db2.gz PPVIOZYNZYRKMF-JOCHJYFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000466916003 1126094417 /nfs/dbraw/zinc/09/44/17/1126094417.db2.gz DYWNLNAOVABSKV-IBGZPJMESA-N 2 0 387.955 3.093 20 0 GGADRP CN(c1ccccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000480462897 1126094588 /nfs/dbraw/zinc/09/45/88/1126094588.db2.gz AVZBHYXDIAAKEF-NRFANRHFSA-N 2 0 385.527 3.049 20 0 GGADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]Cc1cnc(-c3cccs3)s1)C2 ZINC001550421872 1126206242 /nfs/dbraw/zinc/20/62/42/1126206242.db2.gz HHTQXMAYAIPDQR-MRHSLFKSSA-N 2 0 377.579 3.441 20 0 GGADRP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2)[C@H]1C(C)C ZINC001550423934 1126206618 /nfs/dbraw/zinc/20/66/18/1126206618.db2.gz URDQNMREEXZIEJ-YTXYEVPYSA-N 2 0 375.538 3.363 20 0 GGADRP CC[N@@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423932 1126206769 /nfs/dbraw/zinc/20/67/69/1126206769.db2.gz URDQNMREEXZIEJ-HNAWSFBYSA-N 2 0 375.538 3.363 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)CN1CC[NH+](C)CC1 ZINC000120837175 564339713 /nfs/dbraw/zinc/33/97/13/564339713.db2.gz HPDOXYPOCKTEFM-UGSOOPFHSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000120890919 564341819 /nfs/dbraw/zinc/34/18/19/564341819.db2.gz HQQBUMLSNLJQFG-YJBOKZPZSA-N 2 0 396.373 3.136 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000120957114 564345245 /nfs/dbraw/zinc/34/52/45/564345245.db2.gz ZNCNUSWGVNZZJW-PBHICJAKSA-N 2 0 398.414 3.459 20 0 GGADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br)CN1CC[NH+](C)CC1 ZINC000121002928 564348151 /nfs/dbraw/zinc/34/81/51/564348151.db2.gz RRTQAELNALRNGO-RVKKMQEKSA-N 2 0 380.374 3.471 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000121020417 564349149 /nfs/dbraw/zinc/34/91/49/564349149.db2.gz HYXHLHDRPFSMDT-MAUKXSAKSA-N 2 0 396.373 3.136 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000121149410 564356197 /nfs/dbraw/zinc/35/61/97/564356197.db2.gz WSGIPBJGPFHCNW-LIRRHRJNSA-N 2 0 398.364 3.439 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000121612207 564377837 /nfs/dbraw/zinc/37/78/37/564377837.db2.gz QYZRVUHOBOJUKZ-UHFFFAOYSA-N 2 0 382.346 3.441 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000121669280 564380220 /nfs/dbraw/zinc/38/02/20/564380220.db2.gz KUEHGTJEYNUZIU-UHFFFAOYSA-N 2 0 386.367 3.316 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123035927 564436825 /nfs/dbraw/zinc/43/68/25/564436825.db2.gz FVDGXQRIYPREDD-OAHLLOKOSA-N 2 0 377.330 3.420 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000123602485 564454789 /nfs/dbraw/zinc/45/47/89/564454789.db2.gz ZDSQRTMCGNLLOS-GOSISDBHSA-N 2 0 399.373 3.243 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000123870183 564464070 /nfs/dbraw/zinc/46/40/70/564464070.db2.gz MJKPBSZEXVCFKJ-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000127601030 564589658 /nfs/dbraw/zinc/58/96/58/564589658.db2.gz HQADAVUHZPGQML-CZUORRHYSA-N 2 0 384.387 3.212 20 0 GGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1 ZINC000128205470 564610592 /nfs/dbraw/zinc/61/05/92/564610592.db2.gz GLFAYJKPBZQQRE-DOTOQJQBSA-N 2 0 382.346 3.077 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524502 564649959 /nfs/dbraw/zinc/64/99/59/564649959.db2.gz FBUHMFVWCKSXRE-UHFFFAOYSA-N 2 0 396.373 3.071 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000056523123 564650103 /nfs/dbraw/zinc/65/01/03/564650103.db2.gz FHRXPIXVXSPIME-MRXNPFEDSA-N 2 0 375.340 3.397 20 0 GGADRP Cc1c(Br)cccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000132317815 564739651 /nfs/dbraw/zinc/73/96/51/564739651.db2.gz GFXAJVCRERUTCM-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)N1CC[NH+](C)CC1 ZINC000132428689 564742826 /nfs/dbraw/zinc/74/28/26/564742826.db2.gz VXNNWBRNFJWKTO-MOPGFXCFSA-N 2 0 398.364 3.437 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134317376 564800027 /nfs/dbraw/zinc/80/00/27/564800027.db2.gz XCYULDIKTKNHBX-DYVFJYSZSA-N 2 0 384.337 3.191 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)N1CC[NH+](C)CC1 ZINC000134308167 564800057 /nfs/dbraw/zinc/80/00/57/564800057.db2.gz NKMHTAJSNOAAJL-MSOLQXFVSA-N 2 0 398.364 3.437 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134380829 564801071 /nfs/dbraw/zinc/80/10/71/564801071.db2.gz PRBLKKQSBBGYQB-SFHVURJKSA-N 2 0 398.364 3.439 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)CN1CC[NH+](C)CC1 ZINC000134378783 564801093 /nfs/dbraw/zinc/80/10/93/564801093.db2.gz SCNJQQVCPOXQHF-DYVFJYSZSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000134382870 564801101 /nfs/dbraw/zinc/80/11/01/564801101.db2.gz UKDJXEDZIJYWON-SJCJKPOMSA-N 2 0 386.765 3.315 20 0 GGADRP CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000135424140 564831331 /nfs/dbraw/zinc/83/13/31/564831331.db2.gz VNJMBQMTPZSFCD-SFHVURJKSA-N 2 0 379.595 3.001 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000093133306 564883893 /nfs/dbraw/zinc/88/38/93/564883893.db2.gz RSQYZQCFIDXMBV-VQIMIIECSA-N 2 0 380.374 3.264 20 0 GGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(Br)c1 ZINC000150846173 564893777 /nfs/dbraw/zinc/89/37/77/564893777.db2.gz XZPAOMYYXJMIEI-OAHLLOKOSA-N 2 0 380.330 3.195 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000150984809 564900844 /nfs/dbraw/zinc/90/08/44/564900844.db2.gz LOUDMLFKXMYXSR-INIZCTEOSA-N 2 0 395.345 3.286 20 0 GGADRP COCCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000151826946 564938150 /nfs/dbraw/zinc/93/81/50/564938150.db2.gz BVVUQIVXTJSQHH-IBGZPJMESA-N 2 0 399.373 3.211 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000104533903 564956574 /nfs/dbraw/zinc/95/65/74/564956574.db2.gz QSCPDENXVINLET-UHFFFAOYSA-N 2 0 380.945 3.029 20 0 GGADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)N1CC[NH+](C)CC1 ZINC000105466745 564966995 /nfs/dbraw/zinc/96/69/95/564966995.db2.gz VFXRKBPYNFCNPC-OAHLLOKOSA-N 2 0 392.341 3.435 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Br ZINC000154337331 565035362 /nfs/dbraw/zinc/03/53/62/565035362.db2.gz FNRFEGNAXHLMEA-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP Brc1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000110233345 565037792 /nfs/dbraw/zinc/03/77/92/565037792.db2.gz WHNRCOHDMUZRQJ-UHFFFAOYSA-N 2 0 397.357 3.262 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154418659 565038379 /nfs/dbraw/zinc/03/83/79/565038379.db2.gz NRSKOOSXFWNGSW-GOSISDBHSA-N 2 0 396.373 3.280 20 0 GGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000154753310 565051854 /nfs/dbraw/zinc/05/18/54/565051854.db2.gz SJFDDJQKFGLGQX-LJQANCHMSA-N 2 0 397.357 3.059 20 0 GGADRP COCCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000154974318 565058472 /nfs/dbraw/zinc/05/84/72/565058472.db2.gz SWNULYRJRYGZIS-LPHOPBHVSA-N 2 0 398.389 3.142 20 0 GGADRP COCCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000154974527 565058806 /nfs/dbraw/zinc/05/88/06/565058806.db2.gz SWNULYRJRYGZIS-QFBILLFUSA-N 2 0 398.389 3.142 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000155033558 565059896 /nfs/dbraw/zinc/05/98/96/565059896.db2.gz HWUMDUDQINEEKF-BBRMVZONSA-N 2 0 384.387 3.212 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557111 565068909 /nfs/dbraw/zinc/06/89/09/565068909.db2.gz KTIUTJJCQBWVSM-LSDHHAIUSA-N 2 0 384.362 3.134 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557007 565069087 /nfs/dbraw/zinc/06/90/87/565069087.db2.gz KTIUTJJCQBWVSM-CABCVRRESA-N 2 0 384.362 3.134 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557237 565069096 /nfs/dbraw/zinc/06/90/96/565069096.db2.gz KTIUTJJCQBWVSM-HUUCEWRRSA-N 2 0 384.362 3.134 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591462 565069472 /nfs/dbraw/zinc/06/94/72/565069472.db2.gz MULYXGGIHPTOHC-FZKQIMNGSA-N 2 0 384.337 3.191 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000156422173 565086837 /nfs/dbraw/zinc/08/68/37/565086837.db2.gz NAMHVCKSXIQGHN-UHFFFAOYSA-N 2 0 382.346 3.031 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000183679609 565087584 /nfs/dbraw/zinc/08/75/84/565087584.db2.gz JAICENNEFREKQI-IBGZPJMESA-N 2 0 392.341 3.359 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183896067 565101727 /nfs/dbraw/zinc/10/17/27/565101727.db2.gz QMTFBYHTZWZEDK-HNNXBMFYSA-N 2 0 386.327 3.021 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Br)c1 ZINC000370624182 565152731 /nfs/dbraw/zinc/15/27/31/565152731.db2.gz HQLJUUWPYDOUPP-UKRRQHHQSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Br)c1 ZINC000370624180 565153021 /nfs/dbraw/zinc/15/30/21/565153021.db2.gz HQLJUUWPYDOUPP-DZGCQCFKSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@@H]1CN(Cc2cc(F)cc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305618 565185333 /nfs/dbraw/zinc/18/53/33/565185333.db2.gz ZMISYYZIIWHZPP-RDTXWAMCSA-N 2 0 384.337 3.046 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300531 565185387 /nfs/dbraw/zinc/18/53/87/565185387.db2.gz PKTQCYZMYOBYNS-QGPMSJSTSA-N 2 0 383.330 3.141 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000185894980 565227131 /nfs/dbraw/zinc/22/71/31/565227131.db2.gz IOUHFRSOWHZCHU-UHFFFAOYSA-N 2 0 375.891 3.447 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295122603 565246755 /nfs/dbraw/zinc/24/67/55/565246755.db2.gz XLZVWLAQYIVVTG-FCLXEUQJSA-N 2 0 380.330 3.381 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186598419 565271186 /nfs/dbraw/zinc/27/11/86/565271186.db2.gz VNXZSYNNTUMJAC-GJZGRUSLSA-N 2 0 384.362 3.134 20 0 GGADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000373904806 565308731 /nfs/dbraw/zinc/30/87/31/565308731.db2.gz JANLEQLNISSGSL-NUEKZKHPSA-N 2 0 381.973 3.132 20 0 GGADRP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)CC1 ZINC000374075903 565318658 /nfs/dbraw/zinc/31/86/58/565318658.db2.gz XXZTZLMALBJMGM-UHFFFAOYSA-N 2 0 395.301 3.400 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000162533897 565319827 /nfs/dbraw/zinc/31/98/27/565319827.db2.gz UBEDOXTYJPZSKH-INIZCTEOSA-N 2 0 384.387 3.213 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000187336879 565324404 /nfs/dbraw/zinc/32/44/04/565324404.db2.gz WBBQCVVNPIQWOS-UHFFFAOYSA-N 2 0 391.151 3.225 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(Br)c3)CC[C@@H]21 ZINC000162800445 565328037 /nfs/dbraw/zinc/32/80/37/565328037.db2.gz MESOBNYSSFOSNI-PBHICJAKSA-N 2 0 380.330 3.194 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3)CC[C@@H]21 ZINC000162804452 565328726 /nfs/dbraw/zinc/32/87/26/565328726.db2.gz KFCYWEPURLXUAS-PBHICJAKSA-N 2 0 380.330 3.194 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315627 565369061 /nfs/dbraw/zinc/36/90/61/565369061.db2.gz QKOAQPCUPAATDB-SJLPKXTDSA-N 2 0 391.357 3.188 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000274592710 565374222 /nfs/dbraw/zinc/37/42/22/565374222.db2.gz NUPZYKNOWJWVNR-OAHLLOKOSA-N 2 0 391.357 3.113 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000274592708 565375193 /nfs/dbraw/zinc/37/51/93/565375193.db2.gz NUPZYKNOWJWVNR-HNNXBMFYSA-N 2 0 391.357 3.113 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166565680 565375367 /nfs/dbraw/zinc/37/53/67/565375367.db2.gz YRHWXTBSSPJATF-DLBZAZTESA-N 2 0 394.357 3.014 20 0 GGADRP CSc1cc(Br)ccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000274631493 565375659 /nfs/dbraw/zinc/37/56/59/565375659.db2.gz ZMGJSEJLZFBYGD-CQSZACIVSA-N 2 0 386.403 3.287 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000274671790 565376815 /nfs/dbraw/zinc/37/68/15/565376815.db2.gz YCCVCISVLIMSMX-ACJLOTCBSA-N 2 0 384.337 3.191 20 0 GGADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000297639194 565380239 /nfs/dbraw/zinc/38/02/39/565380239.db2.gz MOIWAAFJEJRWLC-SFHVURJKSA-N 2 0 376.298 3.136 20 0 GGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942930 565381667 /nfs/dbraw/zinc/38/16/67/565381667.db2.gz RYRBUDSFDSHPIC-LJQANCHMSA-N 2 0 388.383 3.424 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188210560 565388108 /nfs/dbraw/zinc/38/81/08/565388108.db2.gz CSTARUIJFAJDCQ-NVXWUHKLSA-N 2 0 381.358 3.471 20 0 GGADRP Brc1cnn(CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298068836 565398318 /nfs/dbraw/zinc/39/83/18/565398318.db2.gz KTVFRODFXATRIH-UHFFFAOYSA-N 2 0 378.318 3.079 20 0 GGADRP Cn1cncc1CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000298556484 565420704 /nfs/dbraw/zinc/42/07/04/565420704.db2.gz VKRBZVRCMORMGP-UHFFFAOYSA-N 2 0 396.329 3.007 20 0 GGADRP C[C@@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)CN1CC[NH+](C)CC1 ZINC000277452943 565497808 /nfs/dbraw/zinc/49/78/08/565497808.db2.gz HKICJYMRIDHBAG-DMKPSLHHSA-N 2 0 380.374 3.168 20 0 GGADRP Cc1nn(C)c(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000379629237 565538919 /nfs/dbraw/zinc/53/89/19/565538919.db2.gz OOHLVSCFVFKGDD-AWEZNQCLSA-N 2 0 379.346 3.491 20 0 GGADRP C[C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)CN1CC[NH+](C)CC1 ZINC000190599013 565544836 /nfs/dbraw/zinc/54/48/36/565544836.db2.gz OBIWTBZOVXNTEW-SUMWQHHRSA-N 2 0 386.403 3.435 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ncc(I)s1 ZINC000385126870 565545393 /nfs/dbraw/zinc/54/53/93/565545393.db2.gz UAKIMXQXLCRYKN-NSHDSACASA-N 2 0 381.327 3.348 20 0 GGADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)CN1CC[NH+](C)CC1 ZINC000190599027 565545296 /nfs/dbraw/zinc/54/52/96/565545296.db2.gz OBIWTBZOVXNTEW-CXAGYDPISA-N 2 0 386.403 3.435 20 0 GGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000173356999 565551501 /nfs/dbraw/zinc/55/15/01/565551501.db2.gz RSEZNPJSKOHKGU-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000302812364 565557563 /nfs/dbraw/zinc/55/75/63/565557563.db2.gz FGOZDAJZCBWDJB-UHFFFAOYSA-N 2 0 378.319 3.478 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190961035 565572398 /nfs/dbraw/zinc/57/23/98/565572398.db2.gz ZRIDASVYWIMENB-UHFFFAOYSA-N 2 0 380.783 3.281 20 0 GGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000325295712 565620390 /nfs/dbraw/zinc/62/03/90/565620390.db2.gz YJRABDRJXVIMNZ-IIDMSEBBSA-N 2 0 394.357 3.090 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218042 565621588 /nfs/dbraw/zinc/62/15/88/565621588.db2.gz LFVFLWFPYXPZSB-JKSUJKDBSA-N 2 0 396.373 3.290 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696310 565621927 /nfs/dbraw/zinc/62/19/27/565621927.db2.gz KABATYGYVOBGPQ-INIZCTEOSA-N 2 0 396.373 3.059 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@H](C)O1 ZINC000174316469 565629153 /nfs/dbraw/zinc/62/91/53/565629153.db2.gz YTNCJIRCXLYLMV-GJZGRUSLSA-N 2 0 395.345 3.076 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192070870 565655362 /nfs/dbraw/zinc/65/53/62/565655362.db2.gz CBKAFNUYWDFWRR-GOSISDBHSA-N 2 0 394.357 3.218 20 0 GGADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280780257 565695657 /nfs/dbraw/zinc/69/56/57/565695657.db2.gz GUFUJQQNZMJJID-MRXNPFEDSA-N 2 0 387.977 3.021 20 0 GGADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280780250 565695949 /nfs/dbraw/zinc/69/59/49/565695949.db2.gz GUFUJQQNZMJJID-INIZCTEOSA-N 2 0 387.977 3.021 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000192787192 565709944 /nfs/dbraw/zinc/70/99/44/565709944.db2.gz CJEVEXMTPQTZOI-UHFFFAOYSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935029 565719663 /nfs/dbraw/zinc/71/96/63/565719663.db2.gz KBJPNXHBDKMMQL-NVXWUHKLSA-N 2 0 377.330 3.146 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000411344404 565725233 /nfs/dbraw/zinc/72/52/33/565725233.db2.gz DXWOGEDZLLYBMO-UHFFFAOYSA-N 2 0 394.357 3.018 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000193160646 565735989 /nfs/dbraw/zinc/73/59/89/565735989.db2.gz NQHFVJPVFQDBGB-OALUTQOASA-N 2 0 380.374 3.298 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000411598974 565739028 /nfs/dbraw/zinc/73/90/28/565739028.db2.gz BKGWJMUSCQMNFD-LBPRGKRZSA-N 2 0 388.375 3.150 20 0 GGADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CCC([NH3+])CC3)C2=O)ccc1Br ZINC000331468902 565761810 /nfs/dbraw/zinc/76/18/10/565761810.db2.gz CCWQFKGOYAOHPR-MQBCKMQZSA-N 2 0 380.330 3.112 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)c3cccnc23)CC1(C)C ZINC000282493883 565783178 /nfs/dbraw/zinc/78/31/78/565783178.db2.gz WEUUQKBVJCRGMZ-UHFFFAOYSA-N 2 0 391.357 3.113 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981782 565786927 /nfs/dbraw/zinc/78/69/27/565786927.db2.gz CKXCMKODDHBDBI-IBGZPJMESA-N 2 0 380.374 3.300 20 0 GGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccc(Br)cc3o2)CC1 ZINC000332335768 565829949 /nfs/dbraw/zinc/82/99/49/565829949.db2.gz QZGMIWQGTKSQLE-CYBMUJFWSA-N 2 0 396.329 3.115 20 0 GGADRP CC[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](C)C ZINC000413826416 565876541 /nfs/dbraw/zinc/87/65/41/565876541.db2.gz QLBPHCMJQSNHHU-SFHVURJKSA-N 2 0 396.373 3.212 20 0 GGADRP O=C1CC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333348168 565878581 /nfs/dbraw/zinc/87/85/81/565878581.db2.gz ZSSMHEMKZKGMBE-FCEWJHQRSA-N 2 0 379.957 3.113 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414170358 565900842 /nfs/dbraw/zinc/90/08/42/565900842.db2.gz BYNFMUKSACAMEK-GGKPKWOWSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000414188747 565901494 /nfs/dbraw/zinc/90/14/94/565901494.db2.gz JFWCJADIGUKJAW-HNNXBMFYSA-N 2 0 386.367 3.441 20 0 GGADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192572 565902975 /nfs/dbraw/zinc/90/29/75/565902975.db2.gz SLGRMIQANZERQR-YOEHRIQHSA-N 2 0 387.977 3.021 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000285560802 565914356 /nfs/dbraw/zinc/91/43/56/565914356.db2.gz NATYPDWXMXLQDX-IBGZPJMESA-N 2 0 388.383 3.423 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000178440954 565918800 /nfs/dbraw/zinc/91/88/00/565918800.db2.gz VTMBAAYYGCLABU-UHFFFAOYSA-N 2 0 382.346 3.031 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000229604778 565926905 /nfs/dbraw/zinc/92/69/05/565926905.db2.gz CVBMEYTWLMKJKM-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000414485922 565941356 /nfs/dbraw/zinc/94/13/56/565941356.db2.gz QAAHMAAKKJPTRM-UHFFFAOYSA-N 2 0 390.330 3.019 20 0 GGADRP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237130290 565952709 /nfs/dbraw/zinc/95/27/09/565952709.db2.gz AFBLLVRUAAQYEN-GASCZTMLSA-N 2 0 385.346 3.437 20 0 GGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414741803 565957327 /nfs/dbraw/zinc/95/73/27/565957327.db2.gz HVUGQRJNYAHHTB-HUUCEWRRSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414751553 565957411 /nfs/dbraw/zinc/95/74/11/565957411.db2.gz SNQSXMPNEAZZIS-HUUCEWRRSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414741807 565957758 /nfs/dbraw/zinc/95/77/58/565957758.db2.gz HVUGQRJNYAHHTB-LSDHHAIUSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414741800 565958169 /nfs/dbraw/zinc/95/81/69/565958169.db2.gz HVUGQRJNYAHHTB-GJZGRUSLSA-N 2 0 394.357 3.488 20 0 GGADRP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751701 565958714 /nfs/dbraw/zinc/95/87/14/565958714.db2.gz AXSXRKKVXMCGQT-GDBMZVCRSA-N 2 0 383.330 3.202 20 0 GGADRP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)ccc1Br ZINC000414755708 565959026 /nfs/dbraw/zinc/95/90/26/565959026.db2.gz PLAVOQKAVGSLDK-CRAIPNDOSA-N 2 0 394.357 3.092 20 0 GGADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414836991 565962327 /nfs/dbraw/zinc/96/23/27/565962327.db2.gz VHPYPUAEQYKMMG-JTQLQIEISA-N 2 0 379.245 3.148 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414835219 565962552 /nfs/dbraw/zinc/96/25/52/565962552.db2.gz IBDHWZWKPQHWOI-OAHLLOKOSA-N 2 0 377.330 3.423 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC(F)F ZINC000414924752 565964975 /nfs/dbraw/zinc/96/49/75/565964975.db2.gz KOIFJEQKGAGYHV-WDEREUQCSA-N 2 0 379.245 3.419 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414955763 565967135 /nfs/dbraw/zinc/96/71/35/565967135.db2.gz NJYLDAXNJYOTTE-UHFFFAOYSA-N 2 0 385.346 3.344 20 0 GGADRP Brc1cnc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000414960471 565967214 /nfs/dbraw/zinc/96/72/14/565967214.db2.gz GVWVMLACEDTVOU-NSHDSACASA-N 2 0 377.124 3.228 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414948817 565967414 /nfs/dbraw/zinc/96/74/14/565967414.db2.gz MOFIUWGDQIVYJU-PBHICJAKSA-N 2 0 394.357 3.092 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414993060 565968124 /nfs/dbraw/zinc/96/81/24/565968124.db2.gz KZPZGKANUOUZEV-WMLDXEAASA-N 2 0 385.346 3.472 20 0 GGADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414990670 565968136 /nfs/dbraw/zinc/96/81/36/565968136.db2.gz AJVBLNFCFXEKRK-ZJUUUORDSA-N 2 0 380.220 3.177 20 0 GGADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414990665 565968583 /nfs/dbraw/zinc/96/85/83/565968583.db2.gz AJVBLNFCFXEKRK-UWVGGRQHSA-N 2 0 380.220 3.177 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000415020106 565970483 /nfs/dbraw/zinc/97/04/83/565970483.db2.gz JDYINGAOGVOEHS-AWEZNQCLSA-N 2 0 382.346 3.079 20 0 GGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086684 565973248 /nfs/dbraw/zinc/97/32/48/565973248.db2.gz SLUGWYBGACTMAT-LIRRHRJNSA-N 2 0 394.357 3.077 20 0 GGADRP COc1c(Br)cccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117310 565974457 /nfs/dbraw/zinc/97/44/57/565974457.db2.gz CFEUHQAIQFMMDT-NVXWUHKLSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415121556 565974700 /nfs/dbraw/zinc/97/47/00/565974700.db2.gz IPGNCZOZOKWSOZ-AEFFLSMTSA-N 2 0 383.330 3.176 20 0 GGADRP COc1c(Br)cccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117307 565975005 /nfs/dbraw/zinc/97/50/05/565975005.db2.gz CFEUHQAIQFMMDT-DOTOQJQBSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415128151 565975511 /nfs/dbraw/zinc/97/55/11/565975511.db2.gz RTLQMWTZVQPPJJ-YJBOKZPZSA-N 2 0 383.330 3.176 20 0 GGADRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415134391 565975661 /nfs/dbraw/zinc/97/56/61/565975661.db2.gz DRSDCYYVHIYHOF-JKSUJKDBSA-N 2 0 380.374 3.391 20 0 GGADRP COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130993 565976333 /nfs/dbraw/zinc/97/63/33/565976333.db2.gz RQJQDVUWNYUKOW-JQWIXIFHSA-N 2 0 393.272 3.476 20 0 GGADRP Brc1ccc(-c2nnc(CN3CCC[C@@H](c4ncc[nH]4)C3)o2)o1 ZINC000363566288 566011495 /nfs/dbraw/zinc/01/14/95/566011495.db2.gz PLBLEZJDCMATAX-SNVBAGLBSA-N 2 0 378.230 3.195 20 0 GGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000363670453 566015582 /nfs/dbraw/zinc/01/55/82/566015582.db2.gz JUWZHSZPUTXKEQ-LJQANCHMSA-N 2 0 394.401 3.482 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254378 566023960 /nfs/dbraw/zinc/02/39/60/566023960.db2.gz XDBIEWWZALXNRJ-GJZGRUSLSA-N 2 0 380.330 3.194 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000180005983 566025089 /nfs/dbraw/zinc/02/50/89/566025089.db2.gz QDUATYOEVRMSTD-RTBURBONSA-N 2 0 380.374 3.298 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000180006017 566025180 /nfs/dbraw/zinc/02/51/80/566025180.db2.gz QDUATYOEVRMSTD-OALUTQOASA-N 2 0 380.374 3.298 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000180006003 566025222 /nfs/dbraw/zinc/02/52/22/566025222.db2.gz QDUATYOEVRMSTD-RBUKOAKNSA-N 2 0 380.374 3.298 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246877585 566043775 /nfs/dbraw/zinc/04/37/75/566043775.db2.gz DGELEYPZDBHLCI-IIDMSEBBSA-N 2 0 377.330 3.287 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000246960137 566047198 /nfs/dbraw/zinc/04/71/98/566047198.db2.gz IUHFHXMBMPKLOJ-SFHVURJKSA-N 2 0 396.373 3.280 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942445 566067730 /nfs/dbraw/zinc/06/77/30/566067730.db2.gz DCNGSSMRVOXHNZ-NWDGAFQWSA-N 2 0 381.274 3.008 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000248002005 566070918 /nfs/dbraw/zinc/07/09/18/566070918.db2.gz KMJBFJMQNLCUHS-FUHWJXTLSA-N 2 0 397.357 3.489 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217485 566074875 /nfs/dbraw/zinc/07/48/75/566074875.db2.gz ZWVMJQAVYRKUTI-YJBOKZPZSA-N 2 0 396.373 3.118 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829939 566093408 /nfs/dbraw/zinc/09/34/08/566093408.db2.gz QRMGUPHIGVOTFX-LZWOXQAQSA-N 2 0 382.346 3.404 20 0 GGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4OCCO4)s3)CC2)c1 ZINC000289284430 566115253 /nfs/dbraw/zinc/11/52/53/566115253.db2.gz OZQAYHKZFLILTP-UHFFFAOYSA-N 2 0 379.551 3.252 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261601939 566125469 /nfs/dbraw/zinc/12/54/69/566125469.db2.gz BOMLNRNILHQMDJ-KSSFIOAISA-N 2 0 394.357 3.090 20 0 GGADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261633172 566126746 /nfs/dbraw/zinc/12/67/46/566126746.db2.gz BXFKXIZNUOTMCN-IEBWSBKVSA-N 2 0 394.357 3.100 20 0 GGADRP C[NH+](C)CCc1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261737199 566132031 /nfs/dbraw/zinc/13/20/31/566132031.db2.gz LMMZJXRUZYMUPT-IBGZPJMESA-N 2 0 390.325 3.366 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261793438 566134560 /nfs/dbraw/zinc/13/45/60/566134560.db2.gz QKBKEGOLXXYFOT-MJGOQNOKSA-N 2 0 390.325 3.042 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261793434 566134597 /nfs/dbraw/zinc/13/45/97/566134597.db2.gz QKBKEGOLXXYFOT-HKUYNNGSSA-N 2 0 390.325 3.042 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261864147 566137812 /nfs/dbraw/zinc/13/78/12/566137812.db2.gz XDJLEGYRIQIZOB-LJQANCHMSA-N 2 0 390.325 3.001 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845759 566138063 /nfs/dbraw/zinc/13/80/63/566138063.db2.gz LYGFQDRQVTXANR-YJBOKZPZSA-N 2 0 381.973 3.012 20 0 GGADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261868744 566139198 /nfs/dbraw/zinc/13/91/98/566139198.db2.gz XPOVRDSFXNWSAH-LJQANCHMSA-N 2 0 394.357 3.146 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261961155 566141220 /nfs/dbraw/zinc/14/12/20/566141220.db2.gz PHYKBHQVSWPVGU-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261935902 566141628 /nfs/dbraw/zinc/14/16/28/566141628.db2.gz MBGHTTQGUGRSEG-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181461247 566141810 /nfs/dbraw/zinc/14/18/10/566141810.db2.gz JQAVBEITQNWPGK-KXBFYZLASA-N 2 0 398.389 3.380 20 0 GGADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960184 566142227 /nfs/dbraw/zinc/14/22/27/566142227.db2.gz HDOOXDVBMZSCGQ-AWEZNQCLSA-N 2 0 377.838 3.178 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000261969027 566142278 /nfs/dbraw/zinc/14/22/78/566142278.db2.gz YUBTZPRPTVIWQZ-NWANDNLSSA-N 2 0 377.286 3.058 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181500052 566143984 /nfs/dbraw/zinc/14/39/84/566143984.db2.gz OYPGZGATMFFQDG-LSDHHAIUSA-N 2 0 384.362 3.134 20 0 GGADRP CC(C)Sc1cc(Br)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262069687 566145227 /nfs/dbraw/zinc/14/52/27/566145227.db2.gz BXPYQFMTAUOWMB-KRWDZBQOSA-N 2 0 398.414 3.429 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262045374 566145676 /nfs/dbraw/zinc/14/56/76/566145676.db2.gz YWZHVXOGWJSJCD-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262127271 566146612 /nfs/dbraw/zinc/14/66/12/566146612.db2.gz LTGGEXUYBCZDTF-BBWFWOEESA-N 2 0 387.952 3.200 20 0 GGADRP CCC[NH2+]CCNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417563994 566158467 /nfs/dbraw/zinc/15/84/67/566158467.db2.gz FMVMXYIMBOQKDA-UHFFFAOYSA-N 2 0 387.355 3.257 20 0 GGADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417565050 566158567 /nfs/dbraw/zinc/15/85/67/566158567.db2.gz GFICBHZQDRETIC-QGZVFWFLSA-N 2 0 387.355 3.240 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181691128 566159202 /nfs/dbraw/zinc/15/92/02/566159202.db2.gz ZGHOMTGJFKWARJ-CVEARBPZSA-N 2 0 398.389 3.382 20 0 GGADRP C[NH2+]C[C@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417568896 566159330 /nfs/dbraw/zinc/15/93/30/566159330.db2.gz KZXUUBPHEWTSPT-ZDUSSCGKSA-N 2 0 387.355 3.113 20 0 GGADRP CC[NH2+][C@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417568329 566159506 /nfs/dbraw/zinc/15/95/06/566159506.db2.gz KHMYHUJIJQJNPH-CYBMUJFWSA-N 2 0 387.355 3.255 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181691150 566159686 /nfs/dbraw/zinc/15/96/86/566159686.db2.gz ZGHOMTGJFKWARJ-JKSUJKDBSA-N 2 0 398.389 3.382 20 0 GGADRP [NH3+]Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)co1 ZINC000262805357 566161254 /nfs/dbraw/zinc/16/12/54/566161254.db2.gz SLWPADUXWMHGEX-UHFFFAOYSA-N 2 0 382.291 3.440 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000181856594 566169891 /nfs/dbraw/zinc/16/98/91/566169891.db2.gz XBWICVNLPYCQDV-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP COc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000367156297 566188117 /nfs/dbraw/zinc/18/81/17/566188117.db2.gz KGLBKOVZENPZCA-UHFFFAOYSA-N 2 0 396.373 3.106 20 0 GGADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)cc1I)C1CC1 ZINC000418084909 566196397 /nfs/dbraw/zinc/19/63/97/566196397.db2.gz SISLPMWUXFHVIN-UHFFFAOYSA-N 2 0 376.257 3.394 20 0 GGADRP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH3+])[NH+](C)C ZINC000418290927 566208174 /nfs/dbraw/zinc/20/81/74/566208174.db2.gz ABTWJAZRFVULTJ-MRXNPFEDSA-N 2 0 375.344 3.050 20 0 GGADRP C[NH2+]CCCNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418282701 566208322 /nfs/dbraw/zinc/20/83/22/566208322.db2.gz YRVBLMJTSXIDRV-UHFFFAOYSA-N 2 0 375.344 3.066 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370940 566211436 /nfs/dbraw/zinc/21/14/36/566211436.db2.gz PJSVTUSRZKORQY-HNNXBMFYSA-N 2 0 387.355 3.209 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418373881 566211444 /nfs/dbraw/zinc/21/14/44/566211444.db2.gz GKPUPELQHYIIJC-OAHLLOKOSA-N 2 0 387.355 3.209 20 0 GGADRP C[C@@H](C[NH3+])CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418490534 566214216 /nfs/dbraw/zinc/21/42/16/566214216.db2.gz NBJHGUSUUQWYPR-ZDUSSCGKSA-N 2 0 375.344 3.052 20 0 GGADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418524456 566215309 /nfs/dbraw/zinc/21/53/09/566215309.db2.gz LISCFXUHXAEFMQ-CQSZACIVSA-N 2 0 387.355 3.338 20 0 GGADRP [NH3+]CCCCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418510681 566215454 /nfs/dbraw/zinc/21/54/54/566215454.db2.gz OIOHLPTUYVDJJV-UHFFFAOYSA-N 2 0 387.355 3.340 20 0 GGADRP CC[NH2+][C@H](C)CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418591701 566217615 /nfs/dbraw/zinc/21/76/15/566217615.db2.gz NRQYWFMSOGQSGF-CQSZACIVSA-N 2 0 389.371 3.455 20 0 GGADRP CC[C@H]([NH3+])CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418740250 566222364 /nfs/dbraw/zinc/22/23/64/566222364.db2.gz ZNGMFQQDRNUFLJ-AWEZNQCLSA-N 2 0 375.344 3.194 20 0 GGADRP CN(CCCn1ccnc1)Cc1c(Br)cncc1Br ZINC000291507492 566222647 /nfs/dbraw/zinc/22/26/47/566222647.db2.gz HYZZWYMXKRBBHX-UHFFFAOYSA-N 2 0 388.107 3.325 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000266146118 566246503 /nfs/dbraw/zinc/24/65/03/566246503.db2.gz MTVYKNDBJMDCQY-QGZVFWFLSA-N 2 0 383.627 3.151 20 0 GGADRP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]CC(=O)N2CC[NH2+]CC2)cs1 ZINC000575242595 566264566 /nfs/dbraw/zinc/26/45/66/566264566.db2.gz YFEDBGOYECKRLX-GOSISDBHSA-N 2 0 377.941 3.015 20 0 GGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000420372307 566274613 /nfs/dbraw/zinc/27/46/13/566274613.db2.gz FARLKMSOXKSOIN-QZTJIDSGSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389545 566276075 /nfs/dbraw/zinc/27/60/75/566276075.db2.gz MESFWYKECGQMIH-FUHWJXTLSA-N 2 0 383.330 3.046 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535191936 566285137 /nfs/dbraw/zinc/28/51/37/566285137.db2.gz TVABVQJRTPGZFY-OAHLLOKOSA-N 2 0 386.327 3.021 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)c2cccs2)CC1 ZINC000535317060 566296277 /nfs/dbraw/zinc/29/62/77/566296277.db2.gz CDVWTTXIVRGLHM-IRXDYDNUSA-N 2 0 381.611 3.075 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Br)c1 ZINC000669618845 566314929 /nfs/dbraw/zinc/31/49/29/566314929.db2.gz GGJAHGDULJNUMY-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539749 566316584 /nfs/dbraw/zinc/31/65/84/566316584.db2.gz SLBSYBXPBFOSSE-DOTOQJQBSA-N 2 0 383.989 3.388 20 0 GGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633911 566322562 /nfs/dbraw/zinc/32/25/62/566322562.db2.gz XYUCZLNBEXWGKL-LSDHHAIUSA-N 2 0 386.323 3.137 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452070 566325467 /nfs/dbraw/zinc/32/54/67/566325467.db2.gz OOWUTYMTCGMRRU-MJGOQNOKSA-N 2 0 392.341 3.120 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000482882202 566341369 /nfs/dbraw/zinc/34/13/69/566341369.db2.gz AFESODZPLCNHAB-KSSFIOAISA-N 2 0 385.321 3.402 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1Cl ZINC000536072069 566349348 /nfs/dbraw/zinc/34/93/48/566349348.db2.gz HDKKPLZHZFVTBW-QAPCUYQASA-N 2 0 383.989 3.276 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000536180544 566356835 /nfs/dbraw/zinc/35/68/35/566356835.db2.gz ZOSAHQROCKLOFA-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000536303348 566362392 /nfs/dbraw/zinc/36/23/92/566362392.db2.gz YHLNYHUOZPQOKU-KRWDZBQOSA-N 2 0 386.765 3.317 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000536301693 566362765 /nfs/dbraw/zinc/36/27/65/566362765.db2.gz DXQJQYDHSGKAML-SJCJKPOMSA-N 2 0 386.765 3.315 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000536301696 566363400 /nfs/dbraw/zinc/36/34/00/566363400.db2.gz DXQJQYDHSGKAML-YVEFUNNKSA-N 2 0 386.765 3.315 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000576837384 566382612 /nfs/dbraw/zinc/38/26/12/566382612.db2.gz JJLDZFODKCGVNC-ULQDDVLXSA-N 2 0 394.357 3.421 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000576837382 566382665 /nfs/dbraw/zinc/38/26/65/566382665.db2.gz JJLDZFODKCGVNC-BBWFWOEESA-N 2 0 394.357 3.421 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000577094857 566403770 /nfs/dbraw/zinc/40/37/70/566403770.db2.gz GPGGWMKJOUAMCM-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862395 566405243 /nfs/dbraw/zinc/40/52/43/566405243.db2.gz LOQBXOBMEMJLMA-UONOGXRCSA-N 2 0 379.492 3.431 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510700001 566406253 /nfs/dbraw/zinc/40/62/53/566406253.db2.gz DEGAVHBDIXJVSR-IPMKNSEASA-N 2 0 379.342 3.404 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000537013791 566418071 /nfs/dbraw/zinc/41/80/71/566418071.db2.gz RHIADRTUPPBEMP-CEXWTWQISA-N 2 0 379.342 3.404 20 0 GGADRP C[NH+](C)CCOCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000447600816 566418088 /nfs/dbraw/zinc/41/80/88/566418088.db2.gz NTSGFPKNPGKVTA-GOSISDBHSA-N 2 0 385.346 3.085 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000537117225 566423274 /nfs/dbraw/zinc/42/32/74/566423274.db2.gz WQSKFHLQLGKQBW-PMUMKWKESA-N 2 0 398.414 3.458 20 0 GGADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(OC)ccc2Br)C1 ZINC000537649300 566459688 /nfs/dbraw/zinc/45/96/88/566459688.db2.gz YZDKWGOFDKOQSR-KRWDZBQOSA-N 2 0 385.346 3.390 20 0 GGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422751610 566462625 /nfs/dbraw/zinc/46/26/25/566462625.db2.gz BSUAEFOEEUKGAS-BPQIPLTHSA-N 2 0 385.321 3.268 20 0 GGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422751613 566462769 /nfs/dbraw/zinc/46/27/69/566462769.db2.gz BSUAEFOEEUKGAS-RYQLBKOJSA-N 2 0 385.321 3.268 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422790802 566462911 /nfs/dbraw/zinc/46/29/11/566462911.db2.gz YAJFWBVSPIEOSY-ZIAGYGMSSA-N 2 0 383.330 3.421 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422748359 566463018 /nfs/dbraw/zinc/46/30/18/566463018.db2.gz UFBDNXMTGXUKOU-KZNAEPCWSA-N 2 0 379.342 3.227 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422790799 566463121 /nfs/dbraw/zinc/46/31/21/566463121.db2.gz YAJFWBVSPIEOSY-KBPBESRZSA-N 2 0 383.330 3.421 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859598 566463164 /nfs/dbraw/zinc/46/31/64/566463164.db2.gz KMUJAUXHHBOEOU-KSZLIROESA-N 2 0 394.357 3.079 20 0 GGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422726721 566463178 /nfs/dbraw/zinc/46/31/78/566463178.db2.gz AFZPYLGNIBAXQY-RHSMWYFYSA-N 2 0 382.346 3.079 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000422861223 566463203 /nfs/dbraw/zinc/46/32/03/566463203.db2.gz NOSCFENKYPVWTC-MSOLQXFVSA-N 2 0 388.309 3.303 20 0 GGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422785994 566463519 /nfs/dbraw/zinc/46/35/19/566463519.db2.gz QAMJTNDZYRSOIG-BMGDILEWSA-N 2 0 379.342 3.227 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736283 566463572 /nfs/dbraw/zinc/46/35/72/566463572.db2.gz VUENEEZIZOESBS-URKNILKWSA-N 2 0 386.367 3.300 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876895 566464608 /nfs/dbraw/zinc/46/46/08/566464608.db2.gz GQCXBGUIADJUOA-KSZLIROESA-N 2 0 394.357 3.079 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883864 566464918 /nfs/dbraw/zinc/46/49/18/566464918.db2.gz VTGHYAJZOREPGA-YJBOKZPZSA-N 2 0 381.358 3.475 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880871 566465017 /nfs/dbraw/zinc/46/50/17/566465017.db2.gz PDMITSYPORHSNZ-YEWWUXTCSA-N 2 0 387.351 3.384 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880868 566465065 /nfs/dbraw/zinc/46/50/65/566465065.db2.gz PDMITSYPORHSNZ-DHSIGJKJSA-N 2 0 387.351 3.384 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422900406 566465152 /nfs/dbraw/zinc/46/51/52/566465152.db2.gz JCRYMPXOCQAGEI-BXUZGUMPSA-N 2 0 384.307 3.246 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875930 566465252 /nfs/dbraw/zinc/46/52/52/566465252.db2.gz DNVVUSDHQSJFCH-RCCFBDPRSA-N 2 0 381.358 3.473 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422900416 566465628 /nfs/dbraw/zinc/46/56/28/566465628.db2.gz JCRYMPXOCQAGEI-RISCZKNCSA-N 2 0 384.307 3.246 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883863 566465808 /nfs/dbraw/zinc/46/58/08/566465808.db2.gz VTGHYAJZOREPGA-QAPCUYQASA-N 2 0 381.358 3.475 20 0 GGADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422936093 566467435 /nfs/dbraw/zinc/46/74/35/566467435.db2.gz HZFBZRKNQKQJMQ-BZUAXINKSA-N 2 0 385.346 3.089 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422938965 566467559 /nfs/dbraw/zinc/46/75/59/566467559.db2.gz FHSASBQEOMDNCM-CWRNSKLLSA-N 2 0 383.330 3.477 20 0 GGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958620 566467729 /nfs/dbraw/zinc/46/77/29/566467729.db2.gz YMIGQZUVFMPHGK-YOEHRIQHSA-N 2 0 382.346 3.079 20 0 GGADRP [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989144 566469849 /nfs/dbraw/zinc/46/98/49/566469849.db2.gz KMESZRBPHFHEBF-IRXDYDNUSA-N 2 0 382.346 3.035 20 0 GGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423055177 566470766 /nfs/dbraw/zinc/47/07/66/566470766.db2.gz VUZTWBKLBVDUAY-CGTJXYLNSA-N 2 0 378.314 3.177 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423054369 566470879 /nfs/dbraw/zinc/47/08/79/566470879.db2.gz UQIXXWGEPALJSR-NSHDSACASA-N 2 0 376.298 3.397 20 0 GGADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423055175 566470985 /nfs/dbraw/zinc/47/09/85/566470985.db2.gz VUZTWBKLBVDUAY-BPQIPLTHSA-N 2 0 378.314 3.177 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423060280 566471546 /nfs/dbraw/zinc/47/15/46/566471546.db2.gz NXTQBTFPRZPVEL-VXGBXAGGSA-N 2 0 389.359 3.483 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043307 566471664 /nfs/dbraw/zinc/47/16/64/566471664.db2.gz OHBSZIHGIDOXTE-ARKSPBFVSA-N 2 0 384.351 3.319 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650705854 566471772 /nfs/dbraw/zinc/47/17/72/566471772.db2.gz YRBHEASJYXKIRQ-DAYGRLMNSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650705855 566472018 /nfs/dbraw/zinc/47/20/18/566472018.db2.gz YRBHEASJYXKIRQ-HDMKZQKVSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650705856 566472235 /nfs/dbraw/zinc/47/22/35/566472235.db2.gz YRBHEASJYXKIRQ-MPGHIAIKSA-N 2 0 383.330 3.176 20 0 GGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650708053 566472270 /nfs/dbraw/zinc/47/22/70/566472270.db2.gz SQIKEQYGMKDVHV-SLEUVZQESA-N 2 0 389.359 3.238 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000650708108 566472480 /nfs/dbraw/zinc/47/24/80/566472480.db2.gz TUGJNAXJLJXDLK-QGTPRVQTSA-N 2 0 395.341 3.102 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073504 566472890 /nfs/dbraw/zinc/47/28/90/566472890.db2.gz IUJAJMQOEXOKEJ-WZGPROSRSA-N 2 0 381.358 3.110 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423075369 566473141 /nfs/dbraw/zinc/47/31/41/566473141.db2.gz OKDCYULGRVOGBO-CVAIRZPRSA-N 2 0 391.353 3.148 20 0 GGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(F)c1 ZINC000650718246 566473774 /nfs/dbraw/zinc/47/37/74/566473774.db2.gz DRSBJQNUTZEYLM-UHFFFAOYSA-N 2 0 381.245 3.108 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074139 566473894 /nfs/dbraw/zinc/47/38/94/566473894.db2.gz UBWYXTREKLSCAS-CIRFHOKZSA-N 2 0 384.351 3.319 20 0 GGADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000577895556 566474926 /nfs/dbraw/zinc/47/49/26/566474926.db2.gz NPIIUXOGGWNFED-KRWDZBQOSA-N 2 0 380.330 3.476 20 0 GGADRP COc1cc(I)c(Cl)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000423102610 566475034 /nfs/dbraw/zinc/47/50/34/566475034.db2.gz XGGHFYURGIECGD-SECBINFHSA-N 2 0 382.673 3.170 20 0 GGADRP COc1cc(I)c(Cl)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423102611 566475619 /nfs/dbraw/zinc/47/56/19/566475619.db2.gz XGGHFYURGIECGD-VIFPVBQESA-N 2 0 382.673 3.170 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1OCCCO ZINC000423136967 566478502 /nfs/dbraw/zinc/47/85/02/566478502.db2.gz VNQIOBCORROVEN-ZQIUZPCESA-N 2 0 385.346 3.378 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145363 566478811 /nfs/dbraw/zinc/47/88/11/566478811.db2.gz KKEZOWJEIVCFPX-KXBFYZLASA-N 2 0 380.941 3.052 20 0 GGADRP Brc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423181969 566480809 /nfs/dbraw/zinc/48/08/09/566480809.db2.gz KBHDOSLQJCLJMQ-FQEVSTJZSA-N 2 0 388.353 3.423 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169977 566480866 /nfs/dbraw/zinc/48/08/66/566480866.db2.gz KTOSFFHEKXXBPI-KLIQENQMSA-N 2 0 399.348 3.250 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169978 566480874 /nfs/dbraw/zinc/48/08/74/566480874.db2.gz KTOSFFHEKXXBPI-UDTPNQRGSA-N 2 0 399.348 3.250 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423214262 566481554 /nfs/dbraw/zinc/48/15/54/566481554.db2.gz ONKZUKIVNNOQSG-IUODEOHRSA-N 2 0 386.277 3.094 20 0 GGADRP Fc1ccc(Br)cc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423202971 566481780 /nfs/dbraw/zinc/48/17/80/566481780.db2.gz LRYQODOLDJMYMN-IBGZPJMESA-N 2 0 392.316 3.172 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423191003 566481882 /nfs/dbraw/zinc/48/18/82/566481882.db2.gz TZNXLDDMRPZFFJ-DYVFJYSZSA-N 2 0 384.387 3.117 20 0 GGADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423280297 566484495 /nfs/dbraw/zinc/48/44/95/566484495.db2.gz UJTCXDQTWLTGLQ-RYUDHWBXSA-N 2 0 376.257 3.471 20 0 GGADRP Brc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259329 566484592 /nfs/dbraw/zinc/48/45/92/566484592.db2.gz NXFMCOQDPNAMCP-RDTXWAMCSA-N 2 0 375.314 3.308 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423250018 566484663 /nfs/dbraw/zinc/48/46/63/566484663.db2.gz PUVKFXCHQJTAQG-IUODEOHRSA-N 2 0 386.277 3.094 20 0 GGADRP CSC1(C[NH2+]Cc2ccc(I)s2)CC[NH+](C)CC1 ZINC000602665474 566485314 /nfs/dbraw/zinc/48/53/14/566485314.db2.gz CCHUZWXSPGCEEK-UHFFFAOYSA-N 2 0 396.363 3.270 20 0 GGADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423340429 566486069 /nfs/dbraw/zinc/48/60/69/566486069.db2.gz LWXOKIQCUKFFFA-ABAIWWIYSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1F ZINC000423379201 566486411 /nfs/dbraw/zinc/48/64/11/566486411.db2.gz GKOYISFUCHOTCM-HZMBPMFUSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423340432 566486467 /nfs/dbraw/zinc/48/64/67/566486467.db2.gz LWXOKIQCUKFFFA-XHDPSFHLSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000423394277 566486787 /nfs/dbraw/zinc/48/67/87/566486787.db2.gz RXWMFSHXFSPXGX-IINYFYTJSA-N 2 0 398.242 3.075 20 0 GGADRP CSc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000558567038 566486888 /nfs/dbraw/zinc/48/68/88/566486888.db2.gz PMDWKLCURCJOJQ-UHFFFAOYSA-N 2 0 383.627 3.386 20 0 GGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382428 566486885 /nfs/dbraw/zinc/48/68/85/566486885.db2.gz INFYEXIXUGYNKB-HIFRSBDPSA-N 2 0 379.879 3.303 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000423399690 566488286 /nfs/dbraw/zinc/48/82/86/566488286.db2.gz WNTVXYDMVWYCIS-YGRLFVJLSA-N 2 0 398.242 3.075 20 0 GGADRP CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423417411 566488730 /nfs/dbraw/zinc/48/87/30/566488730.db2.gz FHJBLDLDNZXHLB-ZQIUZPCESA-N 2 0 387.977 3.054 20 0 GGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404213 566489051 /nfs/dbraw/zinc/48/90/51/566489051.db2.gz ZMNZRTJWRHMCLN-YPMHNXCESA-N 2 0 378.508 3.236 20 0 GGADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403666 566489138 /nfs/dbraw/zinc/48/91/38/566489138.db2.gz ZHHVEXFYCNTUMB-KBPBESRZSA-N 2 0 379.879 3.303 20 0 GGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423466253 566490947 /nfs/dbraw/zinc/49/09/47/566490947.db2.gz XABGSXAGWBCBJK-SCTDSRPQSA-N 2 0 394.357 3.137 20 0 GGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000423492498 566491274 /nfs/dbraw/zinc/49/12/74/566491274.db2.gz NHBSRZMHCPSMQI-UXIGCNINSA-N 2 0 386.277 3.222 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(I)c1 ZINC000423544784 566492928 /nfs/dbraw/zinc/49/29/28/566492928.db2.gz IXZMWDBBZJZSDQ-IGHBBLSQSA-N 2 0 388.268 3.469 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423555550 566493524 /nfs/dbraw/zinc/49/35/24/566493524.db2.gz XTEQNWUCUJFXJV-KVSKMBFKSA-N 2 0 392.385 3.391 20 0 GGADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)sc1Br ZINC000512050878 566508250 /nfs/dbraw/zinc/50/82/50/566508250.db2.gz FGTAELLBTWPOTD-QWHCGFSZSA-N 2 0 388.375 3.057 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000578303950 566509285 /nfs/dbraw/zinc/50/92/85/566509285.db2.gz DMEPPAFCLLZVPS-GYABFAJESA-N 2 0 375.314 3.445 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000578324108 566511092 /nfs/dbraw/zinc/51/10/92/566511092.db2.gz RKZJRYXCHUKPAR-CABCVRRESA-N 2 0 380.330 3.099 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000578395423 566517683 /nfs/dbraw/zinc/51/76/83/566517683.db2.gz AJFCPHHQKGHOOH-WMLDXEAASA-N 2 0 387.337 3.346 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000578395424 566517822 /nfs/dbraw/zinc/51/78/22/566517822.db2.gz AJFCPHHQKGHOOH-YOEHRIQHSA-N 2 0 387.337 3.346 20 0 GGADRP Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460499 566522661 /nfs/dbraw/zinc/52/26/61/566522661.db2.gz PXBQAFJNITXXTD-NVXWUHKLSA-N 2 0 383.374 3.228 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000651460817 566523289 /nfs/dbraw/zinc/52/32/89/566523289.db2.gz FBGPPNDRUWUVOP-KGLIPLIRSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000651466727 566524945 /nfs/dbraw/zinc/52/49/45/566524945.db2.gz JISKDJKKJKLMQV-ZFWWWQNUSA-N 2 0 387.337 3.059 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651466837 566525227 /nfs/dbraw/zinc/52/52/27/566525227.db2.gz YNDHEUJMRBYPFE-CVEARBPZSA-N 2 0 383.374 3.228 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1Br)OCCO3)CC[NH2+]CC2 ZINC000424283214 566525195 /nfs/dbraw/zinc/52/51/95/566525195.db2.gz BBJRXKBPBBFPTC-ZDUSSCGKSA-N 2 0 381.314 3.184 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424286054 566525395 /nfs/dbraw/zinc/52/53/95/566525395.db2.gz GVWREHYVYLXYCH-AWEZNQCLSA-N 2 0 384.351 3.416 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424286028 566525566 /nfs/dbraw/zinc/52/55/66/566525566.db2.gz FRZVCZHESACREI-YGRLFVJLSA-N 2 0 378.685 3.374 20 0 GGADRP OC1CCN(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449093585 566527080 /nfs/dbraw/zinc/52/70/80/566527080.db2.gz PCXBGHJFSGUQFB-UHFFFAOYSA-N 2 0 385.321 3.271 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424294430 566527097 /nfs/dbraw/zinc/52/70/97/566527097.db2.gz QIOFJMMLHFUWFH-AWEZNQCLSA-N 2 0 384.351 3.116 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449079967 566527266 /nfs/dbraw/zinc/52/72/66/566527266.db2.gz RORRTOUOSNJDGL-HNNXBMFYSA-N 2 0 391.357 3.113 20 0 GGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301177 566527263 /nfs/dbraw/zinc/52/72/63/566527263.db2.gz XJKIJVBDXNFNSP-LSDHHAIUSA-N 2 0 394.357 3.090 20 0 GGADRP Cc1cc(Br)cn2c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cnc12 ZINC000424380551 566530450 /nfs/dbraw/zinc/53/04/50/566530450.db2.gz PXTWRJOZLIMIFN-AWEZNQCLSA-N 2 0 377.330 3.369 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869988 566542066 /nfs/dbraw/zinc/54/20/66/566542066.db2.gz ZQFHMXWLCQGYBN-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673601879 566546680 /nfs/dbraw/zinc/54/66/80/566546680.db2.gz BKFLLZPUUMBCTO-PBHICJAKSA-N 2 0 398.364 3.277 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000539058043 566556022 /nfs/dbraw/zinc/55/60/22/566556022.db2.gz HXWQLWVYYDXBIT-WMLDXEAASA-N 2 0 390.355 3.494 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000539058044 566556287 /nfs/dbraw/zinc/55/62/87/566556287.db2.gz HXWQLWVYYDXBIT-YOEHRIQHSA-N 2 0 390.355 3.494 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000578984415 566569879 /nfs/dbraw/zinc/56/98/79/566569879.db2.gz INQVQCNFUCHERF-IBGZPJMESA-N 2 0 396.373 3.251 20 0 GGADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449529493 566573378 /nfs/dbraw/zinc/57/33/78/566573378.db2.gz XPBBGFPPKGDGLK-UHFFFAOYSA-N 2 0 380.334 3.240 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000449599170 566580452 /nfs/dbraw/zinc/58/04/52/566580452.db2.gz KDBPTNQEQPNNID-SUMDDJOVSA-N 2 0 383.374 3.228 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601401 566582467 /nfs/dbraw/zinc/58/24/67/566582467.db2.gz RLRVQKBNGARNGR-CQSZACIVSA-N 2 0 387.337 3.202 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449683634 566590914 /nfs/dbraw/zinc/59/09/14/566590914.db2.gz PYAHFTCSBLDJLQ-OAHLLOKOSA-N 2 0 399.373 3.073 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000449680467 566591481 /nfs/dbraw/zinc/59/14/81/566591481.db2.gz HAYUSDKBWWSBRS-JOQOYGCGSA-N 2 0 387.337 3.059 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449682513 566591536 /nfs/dbraw/zinc/59/15/36/566591536.db2.gz LSBLODFZJCZOHU-INIZCTEOSA-N 2 0 383.374 3.371 20 0 GGADRP COc1cc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1Br ZINC000579229949 566592051 /nfs/dbraw/zinc/59/20/51/566592051.db2.gz LPTASSRWBNXUNG-GFCCVEGCSA-N 2 0 376.298 3.324 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686226 566593096 /nfs/dbraw/zinc/59/30/96/566593096.db2.gz VUWNCXCQBGQBEH-INIZCTEOSA-N 2 0 383.374 3.373 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)C1 ZINC000652348383 566603316 /nfs/dbraw/zinc/60/33/16/566603316.db2.gz BOBUJLOOVHQVHF-MRRJBJDNSA-N 2 0 383.323 3.359 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346111 566603678 /nfs/dbraw/zinc/60/36/78/566603678.db2.gz UDQKSFJURKRJDK-DXCKQFNASA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000652349415 566603883 /nfs/dbraw/zinc/60/38/83/566603883.db2.gz OJUHWLASINSCRC-LESCRADOSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345535 566603982 /nfs/dbraw/zinc/60/39/82/566603982.db2.gz DLGFVQKJOJZBLL-XJKCOSOUSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)C1 ZINC000652348384 566604002 /nfs/dbraw/zinc/60/40/02/566604002.db2.gz BOBUJLOOVHQVHF-QEORTHHSSA-N 2 0 383.323 3.359 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000652345980 566604015 /nfs/dbraw/zinc/60/40/15/566604015.db2.gz QKMNAKALSVENQR-KYJSFNMBSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000652352734 566604475 /nfs/dbraw/zinc/60/44/75/566604475.db2.gz RVUCXGZBXXAMOB-KXBFYZLASA-N 2 0 387.325 3.467 20 0 GGADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)sc1Br ZINC000513572548 566609534 /nfs/dbraw/zinc/60/95/34/566609534.db2.gz NHFOYCCIHIHCLG-ZDUSSCGKSA-N 2 0 375.376 3.344 20 0 GGADRP CSc1cc(Br)ccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000674878696 566615118 /nfs/dbraw/zinc/61/51/18/566615118.db2.gz OJXCPJIKVDSMNZ-UHFFFAOYSA-N 2 0 386.403 3.288 20 0 GGADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000425209608 566617473 /nfs/dbraw/zinc/61/74/73/566617473.db2.gz SDDIRRBVDHSJMC-QWHCGFSZSA-N 2 0 376.298 3.467 20 0 GGADRP COc1c(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000580296605 566680925 /nfs/dbraw/zinc/68/09/25/566680925.db2.gz MQCJDBIKUICEOC-SNVBAGLBSA-N 2 0 392.135 3.309 20 0 GGADRP Brc1cnn(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000560580592 566640762 /nfs/dbraw/zinc/64/07/62/566640762.db2.gz KVUIMZZSTNZZAT-QXAKKESOSA-N 2 0 389.341 3.146 20 0 GGADRP C[C@H](C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C)N1CC[NH+](C)CC1 ZINC000540416828 566650186 /nfs/dbraw/zinc/65/01/86/566650186.db2.gz GEULJEIORJNDJB-LBTNJELSSA-N 2 0 398.414 3.458 20 0 GGADRP C[C@H](C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)N1CC[NH+](C)CC1 ZINC000540416826 566650533 /nfs/dbraw/zinc/65/05/33/566650533.db2.gz GEULJEIORJNDJB-HBUWYVDXSA-N 2 0 398.414 3.458 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540416456 566650902 /nfs/dbraw/zinc/65/09/02/566650902.db2.gz NLZOOPRKHBPEGK-MLGOLLRUSA-N 2 0 385.371 3.278 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000675552927 566653807 /nfs/dbraw/zinc/65/38/07/566653807.db2.gz VVUGIKDJLLAUMF-UHFFFAOYSA-N 2 0 384.307 3.497 20 0 GGADRP [NH3+]CCc1nc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC000653253461 566660026 /nfs/dbraw/zinc/66/00/26/566660026.db2.gz VDOODPGTVBNODL-UHFFFAOYSA-N 2 0 376.551 3.085 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000675742429 566662312 /nfs/dbraw/zinc/66/23/12/566662312.db2.gz PMOLAHVDTAFDLY-KRWDZBQOSA-N 2 0 384.337 3.191 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533130 566664377 /nfs/dbraw/zinc/66/43/77/566664377.db2.gz ITYGZQYMNVTZNB-DAYGRLMNSA-N 2 0 392.341 3.024 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000675818481 566665646 /nfs/dbraw/zinc/66/56/46/566665646.db2.gz FYCUFINYDFFQFE-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP O[C@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629574374 566668127 /nfs/dbraw/zinc/66/81/27/566668127.db2.gz NHIXZHHGCWUTNA-LJQANCHMSA-N 2 0 386.367 3.004 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872757 566668900 /nfs/dbraw/zinc/66/89/00/566668900.db2.gz NYJLWPKWQZXJHO-APWZRJJASA-N 2 0 378.358 3.195 20 0 GGADRP O[C@H]1CCCC[C@H]1C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000580198020 566672485 /nfs/dbraw/zinc/67/24/85/566672485.db2.gz OBMMKGMXPJOJHH-HOCLYGCPSA-N 2 0 382.302 3.292 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000580245653 566676134 /nfs/dbraw/zinc/67/61/34/566676134.db2.gz YJQCLFBSDCZLQI-AWEZNQCLSA-N 2 0 383.330 3.327 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000514932705 566679540 /nfs/dbraw/zinc/67/95/40/566679540.db2.gz KNKJBKNUZZYGIO-ZBFHGGJFSA-N 2 0 375.340 3.301 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312397 566682840 /nfs/dbraw/zinc/68/28/40/566682840.db2.gz MQBRBVCHPRUNOL-KGLIPLIRSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312396 566683212 /nfs/dbraw/zinc/68/32/12/566683212.db2.gz MQBRBVCHPRUNOL-KBPBESRZSA-N 2 0 381.314 3.042 20 0 GGADRP CSC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540986297 566685139 /nfs/dbraw/zinc/68/51/39/566685139.db2.gz DTSYUSWBNNEDSG-PBHICJAKSA-N 2 0 375.504 3.335 20 0 GGADRP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061150 566689000 /nfs/dbraw/zinc/68/90/00/566689000.db2.gz TXHXVEFOWSQLPO-SJORKVTESA-N 2 0 389.341 3.456 20 0 GGADRP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061147 566690007 /nfs/dbraw/zinc/69/00/07/566690007.db2.gz TXHXVEFOWSQLPO-DLBZAZTESA-N 2 0 389.341 3.456 20 0 GGADRP C[NH+](C)CC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(C)(C)C ZINC000580604551 566707442 /nfs/dbraw/zinc/70/74/42/566707442.db2.gz WXJFFOGHGVKXHZ-QGZVFWFLSA-N 2 0 394.361 3.486 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000468559356 566710317 /nfs/dbraw/zinc/71/03/17/566710317.db2.gz HPEFEQINTHKARH-AWEZNQCLSA-N 2 0 387.337 3.344 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000468559357 566710788 /nfs/dbraw/zinc/71/07/88/566710788.db2.gz HPEFEQINTHKARH-CQSZACIVSA-N 2 0 387.337 3.344 20 0 GGADRP FC(F)(F)c1cnc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000580895601 566732204 /nfs/dbraw/zinc/73/22/04/566732204.db2.gz LKDIMKZAWORNLX-ZDUSSCGKSA-N 2 0 376.854 3.266 20 0 GGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000541661939 566741760 /nfs/dbraw/zinc/74/17/60/566741760.db2.gz DCTZCXDCRBGYTQ-UHFFFAOYSA-N 2 0 380.374 3.299 20 0 GGADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1csc(Cl)c1 ZINC000468903836 566743315 /nfs/dbraw/zinc/74/33/15/566743315.db2.gz IXZMULCTVQEBPT-PBHICJAKSA-N 2 0 379.957 3.341 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000581053815 566745611 /nfs/dbraw/zinc/74/56/11/566745611.db2.gz NLUSKVMNASCYCN-GASCZTMLSA-N 2 0 395.345 3.076 20 0 GGADRP C[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801145 566763538 /nfs/dbraw/zinc/76/35/38/566763538.db2.gz DRAYJPANCLQYII-MRXNPFEDSA-N 2 0 384.337 3.189 20 0 GGADRP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000516469848 566764971 /nfs/dbraw/zinc/76/49/71/566764971.db2.gz XJNKBPBHYMDECN-CABCVRRESA-N 2 0 391.313 3.321 20 0 GGADRP CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000516624165 566773138 /nfs/dbraw/zinc/77/31/38/566773138.db2.gz CSLFWOFTMHSAHY-UHFFFAOYSA-N 2 0 379.291 3.321 20 0 GGADRP CCC[N@H+](C)[C@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000581445462 566778541 /nfs/dbraw/zinc/77/85/41/566778541.db2.gz BOEXFMNLCYETKJ-ZWKOTPCHSA-N 2 0 383.989 3.276 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152328 566778515 /nfs/dbraw/zinc/77/85/15/566778515.db2.gz SCRIQRWHNMEXGE-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP CC[C@@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079717 566780289 /nfs/dbraw/zinc/78/02/89/566780289.db2.gz AOULZSZLODITGE-ROUUACIJSA-N 2 0 394.357 3.314 20 0 GGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1Br ZINC000562368492 566784556 /nfs/dbraw/zinc/78/45/56/566784556.db2.gz DRBBHVPEUKKNCU-MRXNPFEDSA-N 2 0 381.358 3.064 20 0 GGADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1cccc(Br)c1 ZINC000516922928 566793159 /nfs/dbraw/zinc/79/31/59/566793159.db2.gz VRURPUNNYIXTHE-UHFFFAOYSA-N 2 0 380.330 3.242 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678587024 566806022 /nfs/dbraw/zinc/80/60/22/566806022.db2.gz ASHKQDGLOIYUDU-CQSZACIVSA-N 2 0 382.346 3.406 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000517247276 566815486 /nfs/dbraw/zinc/81/54/86/566815486.db2.gz IUVKYQAHQOBMGM-VBQJREDUSA-N 2 0 380.330 3.112 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000542666459 566816491 /nfs/dbraw/zinc/81/64/91/566816491.db2.gz ZSONELFVNVVRMS-CQSZACIVSA-N 2 0 390.309 3.300 20 0 GGADRP C[NH2+]CCC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000469854164 566819838 /nfs/dbraw/zinc/81/98/38/566819838.db2.gz VQSXZZYVYGJZEY-UHFFFAOYSA-N 2 0 377.330 3.456 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000469874318 566822957 /nfs/dbraw/zinc/82/29/57/566822957.db2.gz QCCLHHDHXVJHSC-MORSLUCNSA-N 2 0 375.314 3.112 20 0 GGADRP Brc1ccc(-n2cc(CN3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039471 566825688 /nfs/dbraw/zinc/82/56/88/566825688.db2.gz MMUCCCRFDDWKHY-GOSISDBHSA-N 2 0 375.314 3.210 20 0 GGADRP CC[N@@H+]1CC[C@H](CNCc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655711331 566837630 /nfs/dbraw/zinc/83/76/30/566837630.db2.gz HPKKAPKEOAOHKH-OAHLLOKOSA-N 2 0 377.330 3.375 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655712736 566838119 /nfs/dbraw/zinc/83/81/19/566838119.db2.gz RCKDSROLXDFCEW-CQSZACIVSA-N 2 0 380.330 3.311 20 0 GGADRP CC[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655710956 566838319 /nfs/dbraw/zinc/83/83/19/566838319.db2.gz DXMPHPLFKALGPR-OAHLLOKOSA-N 2 0 377.330 3.375 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655712735 566838728 /nfs/dbraw/zinc/83/87/28/566838728.db2.gz RCKDSROLXDFCEW-AWEZNQCLSA-N 2 0 380.330 3.311 20 0 GGADRP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000655729868 566839881 /nfs/dbraw/zinc/83/98/81/566839881.db2.gz OHKFDPDWWGBNLB-UHFFFAOYSA-N 2 0 377.330 3.375 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3oc4ccccc4c3Br)C2)CC1 ZINC000655738004 566841487 /nfs/dbraw/zinc/84/14/87/566841487.db2.gz QLUPXCRVMDDAPW-CQSZACIVSA-N 2 0 392.341 3.453 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000543080378 566850856 /nfs/dbraw/zinc/85/08/56/566850856.db2.gz WXSNOWRHSIINEL-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP COc1sc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Br ZINC000582330569 566853510 /nfs/dbraw/zinc/85/35/10/566853510.db2.gz YYSBKCACXMSRGH-UHFFFAOYSA-N 2 0 379.389 3.436 20 0 GGADRP CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563155262 566860495 /nfs/dbraw/zinc/86/04/95/566860495.db2.gz DNZILTLRJISPKB-OALUTQOASA-N 2 0 377.326 3.202 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000543620999 566893609 /nfs/dbraw/zinc/89/36/09/566893609.db2.gz ATJQEOZWUWYQOQ-UHFFFAOYSA-N 2 0 380.330 3.445 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000680479012 566911094 /nfs/dbraw/zinc/91/10/94/566911094.db2.gz RBWGMAUVHYGINY-JKSUJKDBSA-N 2 0 380.330 3.303 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000491587717 566911946 /nfs/dbraw/zinc/91/19/46/566911946.db2.gz BDCCLXSZLOKODU-CQSZACIVSA-N 2 0 396.373 3.149 20 0 GGADRP C(C[NH+]1CCC[C@@]2(CCSC2)C1)OCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986409 566918634 /nfs/dbraw/zinc/91/86/34/566918634.db2.gz XNUHOLVPIDHEHG-BGYRXZFFSA-N 2 0 384.655 3.441 20 0 GGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cn1 ZINC000583178963 566927300 /nfs/dbraw/zinc/92/73/00/566927300.db2.gz WHGCUJCJQRBJAS-KDOFPFPSSA-N 2 0 390.325 3.262 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381456 566937003 /nfs/dbraw/zinc/93/70/03/566937003.db2.gz KDGZMBXHJGHUFM-RCCFBDPRSA-N 2 0 394.357 3.079 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381454 566937490 /nfs/dbraw/zinc/93/74/90/566937490.db2.gz KDGZMBXHJGHUFM-KZNAEPCWSA-N 2 0 394.357 3.079 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000493818071 566956871 /nfs/dbraw/zinc/95/68/71/566956871.db2.gz LOVNUAXXSIGSKR-RDTXWAMCSA-N 2 0 380.374 3.218 20 0 GGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000493891254 566958476 /nfs/dbraw/zinc/95/84/76/566958476.db2.gz LHUBWYHDVMMFAP-KVZIAJEVSA-N 2 0 381.358 3.378 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2 ZINC000493905940 566960590 /nfs/dbraw/zinc/96/05/90/566960590.db2.gz JPADVFUONOKNHU-SFHVURJKSA-N 2 0 380.374 3.360 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000564329424 566965510 /nfs/dbraw/zinc/96/55/10/566965510.db2.gz GRAKBFILXRZJNI-KBPBESRZSA-N 2 0 398.320 3.238 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000471608652 566966206 /nfs/dbraw/zinc/96/62/06/566966206.db2.gz DUSYKPGEYDSTOP-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CC2 ZINC000493975044 566966413 /nfs/dbraw/zinc/96/64/13/566966413.db2.gz DWZMGPUNMPFAHG-SFHVURJKSA-N 2 0 380.374 3.362 20 0 GGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000544595780 566970468 /nfs/dbraw/zinc/97/04/68/566970468.db2.gz BLDMOGOBDLPQAW-UHFFFAOYSA-N 2 0 380.374 3.299 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000583935228 566996612 /nfs/dbraw/zinc/99/66/12/566996612.db2.gz YHOXWXOPCDAUAV-CQSZACIVSA-N 2 0 398.320 3.238 20 0 GGADRP Clc1cnc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000472041060 566996840 /nfs/dbraw/zinc/99/68/40/566996840.db2.gz CHSTVYXYYWKQGD-UHFFFAOYSA-N 2 0 378.973 3.484 20 0 GGADRP Brc1ccc([C@H]([NH2+][C@H]2CCn3ccnc3C2)[C@H]2CCCO2)cc1 ZINC000681743989 567003831 /nfs/dbraw/zinc/00/38/31/567003831.db2.gz ZBKBVMZWBKCZNE-JZXOWHBKSA-N 2 0 376.298 3.470 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000584096697 567012538 /nfs/dbraw/zinc/01/25/38/567012538.db2.gz GKDSEVOMFMURMJ-QGZVFWFLSA-N 2 0 387.977 3.021 20 0 GGADRP CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279335 567014312 /nfs/dbraw/zinc/01/43/12/567014312.db2.gz PVLUBLOJZXFKDB-OAHLLOKOSA-N 2 0 388.339 3.365 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000564892502 567018401 /nfs/dbraw/zinc/01/84/01/567018401.db2.gz YZTSKKVWVJCHLL-RDTXWAMCSA-N 2 0 382.346 3.004 20 0 GGADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430598480 567024783 /nfs/dbraw/zinc/02/47/83/567024783.db2.gz OKROCLMMWKOYEZ-HNNXBMFYSA-N 2 0 396.373 3.118 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000564973368 567026333 /nfs/dbraw/zinc/02/63/33/567026333.db2.gz BYSPLXMBIVVODC-RKDXNWHRSA-N 2 0 380.124 3.436 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564988724 567028082 /nfs/dbraw/zinc/02/80/82/567028082.db2.gz OSFCSYXZFCNQJL-ILXRZTDVSA-N 2 0 380.330 3.098 20 0 GGADRP CCOc1c(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430934077 567039856 /nfs/dbraw/zinc/03/98/56/567039856.db2.gz NKOLHCHQJDLJIV-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000430912062 567040659 /nfs/dbraw/zinc/04/06/59/567040659.db2.gz DYPBQZKGUJWPDK-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP Brc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000430954000 567041839 /nfs/dbraw/zinc/04/18/39/567041839.db2.gz VKVAQLPSBFNDOD-UHFFFAOYSA-N 2 0 381.314 3.186 20 0 GGADRP Brc1ccc(-n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430965607 567042046 /nfs/dbraw/zinc/04/20/46/567042046.db2.gz LPVFRTVFMWWBOZ-UHFFFAOYSA-N 2 0 375.314 3.210 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000657303831 567045855 /nfs/dbraw/zinc/04/58/55/567045855.db2.gz HIFKWDGSRIRTBE-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453098717 567053155 /nfs/dbraw/zinc/05/31/55/567053155.db2.gz KDPVUISCANSXAG-LJQANCHMSA-N 2 0 381.358 3.064 20 0 GGADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1Br)C1CC1)CN1CC[NH+](C)CC1 ZINC000453112814 567054928 /nfs/dbraw/zinc/05/49/28/567054928.db2.gz TTZLRWWSWIAYMH-OXJNMPFZSA-N 2 0 394.401 3.243 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000657433469 567055742 /nfs/dbraw/zinc/05/57/42/567055742.db2.gz YHZBCUXZVHHDGC-GOSISDBHSA-N 2 0 390.325 3.009 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453336315 567076441 /nfs/dbraw/zinc/07/64/41/567076441.db2.gz ALTICLYBEBGOCY-ONUSSAAZSA-N 2 0 387.337 3.058 20 0 GGADRP Brc1cncc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612880 567076924 /nfs/dbraw/zinc/07/69/24/567076924.db2.gz DFVFKZJORSVFEW-UHFFFAOYSA-N 2 0 375.314 3.241 20 0 GGADRP Cc1cc(Br)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000453586317 567094780 /nfs/dbraw/zinc/09/47/80/567094780.db2.gz YGEZTSUDYGXLAT-XJKSGUPXSA-N 2 0 386.403 3.277 20 0 GGADRP Cc1cc(Br)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000453586313 567094813 /nfs/dbraw/zinc/09/48/13/567094813.db2.gz YGEZTSUDYGXLAT-BBRMVZONSA-N 2 0 386.403 3.277 20 0 GGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657825087 567098683 /nfs/dbraw/zinc/09/86/83/567098683.db2.gz WLUAYTLJYARJKK-LJQANCHMSA-N 2 0 382.390 3.243 20 0 GGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657882602 567101530 /nfs/dbraw/zinc/10/15/30/567101530.db2.gz SODFESPAKDHEPS-LPHOPBHVSA-N 2 0 382.390 3.242 20 0 GGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657872676 567102241 /nfs/dbraw/zinc/10/22/41/567102241.db2.gz OUQKLYJAIALQJL-LPHOPBHVSA-N 2 0 382.390 3.242 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657897751 567104063 /nfs/dbraw/zinc/10/40/63/567104063.db2.gz JBEJROSNURLONB-GOSISDBHSA-N 2 0 382.390 3.386 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565834278 567104263 /nfs/dbraw/zinc/10/42/63/567104263.db2.gz DTYKUCAZSXKNHS-HZPDHXFCSA-N 2 0 384.351 3.273 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658003835 567114024 /nfs/dbraw/zinc/11/40/24/567114024.db2.gz USKMMPOFYXTUNR-GOSISDBHSA-N 2 0 382.390 3.386 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000566130125 567128047 /nfs/dbraw/zinc/12/80/47/567128047.db2.gz LZNUPXZUQMQZSS-AWEZNQCLSA-N 2 0 393.380 3.150 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000566245154 567141933 /nfs/dbraw/zinc/14/19/33/567141933.db2.gz JIKUAIOQOUZOME-CABCVRRESA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000566245158 567142576 /nfs/dbraw/zinc/14/25/76/567142576.db2.gz JIKUAIOQOUZOME-HUUCEWRRSA-N 2 0 380.330 3.099 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000566411587 567157060 /nfs/dbraw/zinc/15/70/60/567157060.db2.gz NOFVWXKECNPDIX-BBWFWOEESA-N 2 0 377.941 3.124 20 0 GGADRP COc1cc(Br)ccc1CCCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000566423041 567157939 /nfs/dbraw/zinc/15/79/39/567157939.db2.gz JYFIONXAUINLGD-UHFFFAOYSA-N 2 0 399.373 3.215 20 0 GGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546932654 567171708 /nfs/dbraw/zinc/17/17/08/567171708.db2.gz XMPGCCCAXSSLQE-RHSMWYFYSA-N 2 0 379.346 3.268 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738880 567185309 /nfs/dbraw/zinc/18/53/09/567185309.db2.gz ZERAIMANZFWIMQ-RZLSGREXSA-N 2 0 380.330 3.144 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738881 567185420 /nfs/dbraw/zinc/18/54/20/567185420.db2.gz ZERAIMANZFWIMQ-TTZDDIAXSA-N 2 0 380.330 3.144 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000615462740 567185469 /nfs/dbraw/zinc/18/54/69/567185469.db2.gz GHUZBIVGNYTYRF-OAHLLOKOSA-N 2 0 375.340 3.397 20 0 GGADRP CN(CCC[N@H+](C)Cc1cc(Br)c(Cl)s1)CC[NH+](C)C ZINC000566824698 567193922 /nfs/dbraw/zinc/19/39/22/567193922.db2.gz VDMFITQZDXSVHV-UHFFFAOYSA-N 2 0 382.799 3.479 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474711513 567194627 /nfs/dbraw/zinc/19/46/27/567194627.db2.gz KZNXCCOEUSWAGG-GFCCVEGCSA-N 2 0 394.279 3.193 20 0 GGADRP CN[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1cccc(Cl)c1Cl ZINC000659303804 567202213 /nfs/dbraw/zinc/20/22/13/567202213.db2.gz VXKOQGLEQPFBCH-DIFFPNOSSA-N 2 0 379.291 3.104 20 0 GGADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000590125493 567208892 /nfs/dbraw/zinc/20/88/92/567208892.db2.gz UVQGGYOVHWOMEE-UHFFFAOYSA-N 2 0 386.309 3.190 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000524931188 567222721 /nfs/dbraw/zinc/22/27/21/567222721.db2.gz VWVGRLWIFWYWDE-INIZCTEOSA-N 2 0 384.977 3.012 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000524931189 567222923 /nfs/dbraw/zinc/22/29/23/567222923.db2.gz VWVGRLWIFWYWDE-MRXNPFEDSA-N 2 0 384.977 3.012 20 0 GGADRP C[NH2+]C[C@H](C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000659645533 567223461 /nfs/dbraw/zinc/22/34/61/567223461.db2.gz JXJQUKYHOHDZIB-AWEZNQCLSA-N 2 0 387.355 3.209 20 0 GGADRP CC(C)(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000433130308 567225256 /nfs/dbraw/zinc/22/52/56/567225256.db2.gz RKXBINXQUGLGCF-UHFFFAOYSA-N 2 0 396.373 3.046 20 0 GGADRP CC(C)N(Cc1ccc(Br)cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155177 567227187 /nfs/dbraw/zinc/22/71/87/567227187.db2.gz WTORKPGAKCZAIJ-UHFFFAOYSA-N 2 0 396.373 3.389 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000433149177 567227211 /nfs/dbraw/zinc/22/72/11/567227211.db2.gz CVCNDQDZZHGDPZ-UHFFFAOYSA-N 2 0 379.917 3.000 20 0 GGADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637958587 567228119 /nfs/dbraw/zinc/22/81/19/567228119.db2.gz RRHBFZHUWAWOHA-UHFFFAOYSA-N 2 0 380.334 3.044 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638366620 567244629 /nfs/dbraw/zinc/24/46/29/567244629.db2.gz PSGKSDSPOPDHRM-CQSZACIVSA-N 2 0 380.334 3.236 20 0 GGADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787268 567247526 /nfs/dbraw/zinc/24/75/26/567247526.db2.gz XQAWSWMATUMRQN-GOSISDBHSA-N 2 0 399.373 3.241 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000567502447 567252719 /nfs/dbraw/zinc/25/27/19/567252719.db2.gz PIOJVCPQJACORI-BBRMVZONSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000567502448 567252975 /nfs/dbraw/zinc/25/29/75/567252975.db2.gz PIOJVCPQJACORI-CJNGLKHVSA-N 2 0 384.351 3.492 20 0 GGADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081102 567258731 /nfs/dbraw/zinc/25/87/31/567258731.db2.gz CVRQZSIMDACJLG-BLLLJJGKSA-N 2 0 393.329 3.170 20 0 GGADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Br ZINC000638734699 567265880 /nfs/dbraw/zinc/26/58/80/567265880.db2.gz MOFXKFWEMMDZAF-CQSZACIVSA-N 2 0 385.346 3.041 20 0 GGADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Br)cc1 ZINC000638699994 567266030 /nfs/dbraw/zinc/26/60/30/567266030.db2.gz UZMCFTQVXLCSMH-AWEZNQCLSA-N 2 0 385.346 3.041 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000567688813 567266656 /nfs/dbraw/zinc/26/66/56/567266656.db2.gz ZSRZVURPJKLFIA-WMZOPIPTSA-N 2 0 399.373 3.146 20 0 GGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591581797 567285825 /nfs/dbraw/zinc/28/58/25/567285825.db2.gz VHCGRHWFMSQUIL-BBRMVZONSA-N 2 0 384.305 3.344 20 0 GGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591581798 567286339 /nfs/dbraw/zinc/28/63/39/567286339.db2.gz VHCGRHWFMSQUIL-CJNGLKHVSA-N 2 0 384.305 3.344 20 0 GGADRP C[N@@H+]1CC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865692 567302562 /nfs/dbraw/zinc/30/25/62/567302562.db2.gz LYXHBVMUVWAHST-INIZCTEOSA-N 2 0 384.351 3.370 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000660656431 567317791 /nfs/dbraw/zinc/31/77/91/567317791.db2.gz UHFAPOPJMVYDAS-SFHVURJKSA-N 2 0 398.320 3.335 20 0 GGADRP CC(C)C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000568329970 567319645 /nfs/dbraw/zinc/31/96/45/567319645.db2.gz OITGELQVTLVWCK-UHFFFAOYSA-N 2 0 386.353 3.294 20 0 GGADRP Cc1nccn1CCCC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771176 567320987 /nfs/dbraw/zinc/32/09/87/567320987.db2.gz BJCOCUDBRLYYCU-MRXNPFEDSA-N 2 0 379.302 3.283 20 0 GGADRP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000527638566 567354435 /nfs/dbraw/zinc/35/44/35/567354435.db2.gz XLKIRCZHNCSZGS-NSHDSACASA-N 2 0 381.343 3.475 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527654246 567356254 /nfs/dbraw/zinc/35/62/54/567356254.db2.gz SFLGCHTXYOQTSE-CYBMUJFWSA-N 2 0 390.316 3.091 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527653992 567356536 /nfs/dbraw/zinc/35/65/36/567356536.db2.gz NZZSQZFBKIUUFP-UHFFFAOYSA-N 2 0 390.316 3.091 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435377112 567357212 /nfs/dbraw/zinc/35/72/12/567357212.db2.gz YCUGYEPKDHMACX-DOMZBBRYSA-N 2 0 377.330 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435377938 567357490 /nfs/dbraw/zinc/35/74/90/567357490.db2.gz BHZDBUYBKXHPEO-WFASDCNBSA-N 2 0 377.330 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435377937 567357822 /nfs/dbraw/zinc/35/78/22/567357822.db2.gz BHZDBUYBKXHPEO-SWLSCSKDSA-N 2 0 377.330 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435377114 567358417 /nfs/dbraw/zinc/35/84/17/567358417.db2.gz YCUGYEPKDHMACX-SWLSCSKDSA-N 2 0 377.330 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435383759 567359252 /nfs/dbraw/zinc/35/92/52/567359252.db2.gz JRBDFCTUDSICHS-ZOCIIQOWSA-N 2 0 389.341 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435383758 567359699 /nfs/dbraw/zinc/35/96/99/567359699.db2.gz JRBDFCTUDSICHS-KYNGSXCRSA-N 2 0 389.341 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435383756 567359905 /nfs/dbraw/zinc/35/99/05/567359905.db2.gz JRBDFCTUDSICHS-GDIGMMSISA-N 2 0 389.341 3.421 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527675530 567359851 /nfs/dbraw/zinc/35/98/51/567359851.db2.gz LOMFZKWVHYZSQN-UHFFFAOYSA-N 2 0 377.273 3.052 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527844584 567378626 /nfs/dbraw/zinc/37/86/26/567378626.db2.gz BNMXRKYMWZTOBV-OLZOCXBDSA-N 2 0 390.316 3.404 20 0 GGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527846314 567378843 /nfs/dbraw/zinc/37/88/43/567378843.db2.gz LFPXHQWPNHSGPT-GFCCVEGCSA-N 2 0 376.289 3.015 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000569214144 567386276 /nfs/dbraw/zinc/38/62/76/567386276.db2.gz AYWAXUAJMJUUTH-OAHLLOKOSA-N 2 0 376.488 3.026 20 0 GGADRP Brc1csc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000569245484 567389234 /nfs/dbraw/zinc/38/92/34/567389234.db2.gz KLVGTOFYTLMEKW-VXGBXAGGSA-N 2 0 397.342 3.382 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000569531942 567410474 /nfs/dbraw/zinc/41/04/74/567410474.db2.gz BLUINDCODKWXOQ-UHFFFAOYSA-N 2 0 380.374 3.312 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662426477 567434754 /nfs/dbraw/zinc/43/47/54/567434754.db2.gz RWWURNBWWFQQRC-CQSZACIVSA-N 2 0 375.563 3.097 20 0 GGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662505602 567443308 /nfs/dbraw/zinc/44/33/08/567443308.db2.gz YBMDBMDSDRXNCN-UHFFFAOYSA-N 2 0 377.476 3.130 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000570212293 567466416 /nfs/dbraw/zinc/46/64/16/567466416.db2.gz MPOWIBJGPXZCLV-HNNXBMFYSA-N 2 0 381.314 3.042 20 0 GGADRP C[N@H+](CCCOc1cccc(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC000478552456 567467185 /nfs/dbraw/zinc/46/71/85/567467185.db2.gz SPYHQRKJPUMGKY-OAHLLOKOSA-N 2 0 388.293 3.134 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000551029791 567473627 /nfs/dbraw/zinc/47/36/27/567473627.db2.gz RYPCZQNFZSDNCB-OAHLLOKOSA-N 2 0 386.403 3.361 20 0 GGADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCSc3cc(Cl)ccc3Cl)C2)nn1 ZINC000570383780 567480561 /nfs/dbraw/zinc/48/05/61/567480561.db2.gz DAHASOHKBVSXND-CQSZACIVSA-N 2 0 386.352 3.473 20 0 GGADRP C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479054592 567498099 /nfs/dbraw/zinc/49/80/99/567498099.db2.gz DGJDUOFVPNNLGJ-SCLBCKFNSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479054589 567498134 /nfs/dbraw/zinc/49/81/34/567498134.db2.gz DGJDUOFVPNNLGJ-ACJLOTCBSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000479073525 567501084 /nfs/dbraw/zinc/50/10/84/567501084.db2.gz XOQHFIDZPFZWDQ-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683946 567505502 /nfs/dbraw/zinc/50/55/02/567505502.db2.gz OMEGIFCCOQXZMT-SECBINFHSA-N 2 0 375.420 3.118 20 0 GGADRP COCC1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000643531113 567511919 /nfs/dbraw/zinc/51/19/19/567511919.db2.gz UKKILQNFITUPGJ-QZTJIDSGSA-N 2 0 397.357 3.275 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479341093 567526169 /nfs/dbraw/zinc/52/61/69/567526169.db2.gz FBZYHHTZSPBLQE-GOSISDBHSA-N 2 0 384.337 3.266 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)N1CC[NH+](C)CC1 ZINC000571010293 567530212 /nfs/dbraw/zinc/53/02/12/567530212.db2.gz YXJKIZWCBKGQAQ-IBGZPJMESA-N 2 0 387.399 3.421 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479451596 567535677 /nfs/dbraw/zinc/53/56/77/567535677.db2.gz KIUKZZWUODZYNY-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP FC(F)(F)c1cnc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000479691329 567552464 /nfs/dbraw/zinc/55/24/64/567552464.db2.gz VEZLKJFVBMESNU-UHFFFAOYSA-N 2 0 376.854 3.266 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000571333727 567555283 /nfs/dbraw/zinc/55/52/83/567555283.db2.gz GPNZKOZHHPRKRK-OAHLLOKOSA-N 2 0 387.399 3.423 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644529878 567555873 /nfs/dbraw/zinc/55/58/73/567555873.db2.gz HLYDSFZTTPJJTF-OAHLLOKOSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532070 567556107 /nfs/dbraw/zinc/55/61/07/567556107.db2.gz YTJVTNUMHHBKMZ-HUUCEWRRSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000644621027 567564388 /nfs/dbraw/zinc/56/43/88/567564388.db2.gz NULYSOSDCLYUII-NVXWUHKLSA-N 2 0 385.346 3.043 20 0 GGADRP CSc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571762216 567586944 /nfs/dbraw/zinc/58/69/44/567586944.db2.gz CXPRFLGUXZRTAB-WBVHZDCISA-N 2 0 385.371 3.499 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572159517 567618539 /nfs/dbraw/zinc/61/85/39/567618539.db2.gz PYZVCBVYVAWJDO-UKRRQHHQSA-N 2 0 380.330 3.098 20 0 GGADRP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000480971622 567648018 /nfs/dbraw/zinc/64/80/18/567648018.db2.gz OCONUJIMQTYFDG-AWEZNQCLSA-N 2 0 382.346 3.358 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459713777 567653542 /nfs/dbraw/zinc/65/35/42/567653542.db2.gz XCYJKBAYIPFXDN-OAHLLOKOSA-N 2 0 387.337 3.202 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728090 567655080 /nfs/dbraw/zinc/65/50/80/567655080.db2.gz CRIAUANOSYYGJG-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730177 567656722 /nfs/dbraw/zinc/65/67/22/567656722.db2.gz JXUQTHIIRSCQOA-AWEZNQCLSA-N 2 0 383.330 3.432 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780900 567659435 /nfs/dbraw/zinc/65/94/35/567659435.db2.gz LTTZLIZEMQJENN-INIZCTEOSA-N 2 0 396.373 3.107 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000459790986 567660457 /nfs/dbraw/zinc/66/04/57/567660457.db2.gz RILSTBBXQZPBSW-LLVKDONJSA-N 2 0 391.151 3.428 20 0 GGADRP CC(C)[NH+]1CCC(N(C)CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000507320561 567674305 /nfs/dbraw/zinc/67/43/05/567674305.db2.gz ZBYMFDRKLJEGTL-UHFFFAOYSA-N 2 0 386.367 3.457 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572965458 567677860 /nfs/dbraw/zinc/67/78/60/567677860.db2.gz PMVSESBCSMSFDQ-NSISKUIASA-N 2 0 393.369 3.274 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572965457 567678169 /nfs/dbraw/zinc/67/81/69/567678169.db2.gz PMVSESBCSMSFDQ-LSTHTHJFSA-N 2 0 393.369 3.274 20 0 GGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3cscc3Cl)cc2)CC1 ZINC000666472051 567680305 /nfs/dbraw/zinc/68/03/05/567680305.db2.gz GPLLZGQYFWCORG-UHFFFAOYSA-N 2 0 377.941 3.389 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507487322 567682436 /nfs/dbraw/zinc/68/24/36/567682436.db2.gz WKKYECDBBQDEEA-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000531937209 567689805 /nfs/dbraw/zinc/68/98/05/567689805.db2.gz MFEUFGBWQFWYPI-XYPHTWIQSA-N 2 0 380.330 3.383 20 0 GGADRP Brc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)s1 ZINC000573207341 567696857 /nfs/dbraw/zinc/69/68/57/567696857.db2.gz NQVJDVHDXVPOGD-NWDGAFQWSA-N 2 0 397.342 3.382 20 0 GGADRP O=C(C[C@@H]1CC[NH2+]C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254003 567702804 /nfs/dbraw/zinc/70/28/04/567702804.db2.gz INWOZKJBLQAIOZ-HNNXBMFYSA-N 2 0 384.351 3.417 20 0 GGADRP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)ncc1Br ZINC000623405520 567707924 /nfs/dbraw/zinc/70/79/24/567707924.db2.gz LLFWZHGXQYJUNB-UHFFFAOYSA-N 2 0 392.341 3.425 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442788851 567709174 /nfs/dbraw/zinc/70/91/74/567709174.db2.gz JEFURHTXYGXXFN-PBWFPOADSA-N 2 0 384.293 3.132 20 0 GGADRP COc1c(Br)cc(Br)cc1CN(C)C1CC([NH3+])C1 ZINC000573445295 567714455 /nfs/dbraw/zinc/71/44/55/567714455.db2.gz JREHXNGZEBWYMB-UHFFFAOYSA-N 2 0 378.108 3.142 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1(C)C ZINC000442871812 567714597 /nfs/dbraw/zinc/71/45/97/567714597.db2.gz GYIZHKCYPPIVOH-MRXNPFEDSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995105 567717673 /nfs/dbraw/zinc/71/76/73/567717673.db2.gz DKAPXLFLSAWQEZ-BBRMVZONSA-N 2 0 380.330 3.431 20 0 GGADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474130 567718807 /nfs/dbraw/zinc/71/88/07/567718807.db2.gz UKSXNGUMCQBSCC-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP COc1ccc(Br)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000532672634 567727449 /nfs/dbraw/zinc/72/74/49/567727449.db2.gz OMLMQAVZDQKPHR-GASCZTMLSA-N 2 0 385.346 3.437 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000623861737 567742899 /nfs/dbraw/zinc/74/28/99/567742899.db2.gz BOHGXENNQPKKOD-CYBMUJFWSA-N 2 0 390.316 3.406 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000554718568 567744276 /nfs/dbraw/zinc/74/42/76/567744276.db2.gz WTOIIVMCLOQMJM-XJKSGUPXSA-N 2 0 375.326 3.466 20 0 GGADRP Brc1ccccc1OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508859062 567770484 /nfs/dbraw/zinc/77/04/84/567770484.db2.gz JTVQDHFFWBLLNE-UHFFFAOYSA-N 2 0 397.357 3.262 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647542959 567790765 /nfs/dbraw/zinc/79/07/65/567790765.db2.gz FGGMNZIRFXSIBV-UONOGXRCSA-N 2 0 383.330 3.375 20 0 GGADRP Brc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543399 567790842 /nfs/dbraw/zinc/79/08/42/567790842.db2.gz MQAXABAOURTKPJ-HUUCEWRRSA-N 2 0 377.330 3.308 20 0 GGADRP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647552200 567791158 /nfs/dbraw/zinc/79/11/58/567791158.db2.gz MDKFLGIVDWOORU-MBOZVWFJSA-N 2 0 392.385 3.391 20 0 GGADRP Cc1nccn1C[C@H](C)C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000574685117 567791762 /nfs/dbraw/zinc/79/17/62/567791762.db2.gz ZJIGKMAJLJAKQI-CYBMUJFWSA-N 2 0 379.302 3.209 20 0 GGADRP C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)c(F)c1 ZINC000574803849 567798555 /nfs/dbraw/zinc/79/85/55/567798555.db2.gz SIBUHZVPGUCPHQ-SNVBAGLBSA-N 2 0 382.281 3.024 20 0 GGADRP O[C@H]1CC[N@H+](CCNc2cc(C3CC3)nc3c(Br)cccc23)C1 ZINC000624775841 567799099 /nfs/dbraw/zinc/79/90/99/567799099.db2.gz HGJKIIUWVQPGSG-ZDUSSCGKSA-N 2 0 376.298 3.353 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000574845293 567800140 /nfs/dbraw/zinc/80/01/40/567800140.db2.gz SOJUCKMPAFYHEB-RYUDHWBXSA-N 2 0 376.257 3.423 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCOCC2)c1 ZINC000647792139 567801690 /nfs/dbraw/zinc/80/16/90/567801690.db2.gz UJRFSRMXDOCXIS-GPMSIDNRSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1cncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798838 567801737 /nfs/dbraw/zinc/80/17/37/567801737.db2.gz XZSURWKBYADAND-OUAUKWLOSA-N 2 0 389.135 3.084 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1OCCCO ZINC000647798010 567801854 /nfs/dbraw/zinc/80/18/54/567801854.db2.gz JXZYSVRPWZTZPK-KLZNWCGWSA-N 2 0 397.357 3.249 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCOCC2)c1 ZINC000647792141 567802221 /nfs/dbraw/zinc/80/22/21/567802221.db2.gz UJRFSRMXDOCXIS-TXPKVOOTSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1cncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798837 567802242 /nfs/dbraw/zinc/80/22/42/567802242.db2.gz XZSURWKBYADAND-HBNTYKKESA-N 2 0 389.135 3.084 20 0 GGADRP Brc1ccc(-n2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC000647794680 567802418 /nfs/dbraw/zinc/80/24/18/567802418.db2.gz AQWAUWVLXTXQPM-BFYDXBDKSA-N 2 0 375.314 3.113 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647977054 567808918 /nfs/dbraw/zinc/80/89/18/567808918.db2.gz XKZQEXUXKJUDGC-JKSUJKDBSA-N 2 0 394.357 3.489 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986875 567809947 /nfs/dbraw/zinc/80/99/47/567809947.db2.gz ILBXBQPZEVYFFN-KBPBESRZSA-N 2 0 383.330 3.288 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986877 567810078 /nfs/dbraw/zinc/81/00/78/567810078.db2.gz ILBXBQPZEVYFFN-UONOGXRCSA-N 2 0 383.330 3.288 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000225720735 570608372 /nfs/dbraw/zinc/60/83/72/570608372.db2.gz WCQBVHGCGFACHT-UHFFFAOYSA-N 2 0 383.646 3.468 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736276962 598492488 /nfs/dbraw/zinc/49/24/88/598492488.db2.gz JHQGKBMLNMCKCK-QGZVFWFLSA-N 2 0 376.508 3.388 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420427 599371106 /nfs/dbraw/zinc/37/11/06/599371106.db2.gz QTNJNPSLHBIDHP-HKUYNNGSSA-N 2 0 376.508 3.430 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821197897 599396025 /nfs/dbraw/zinc/39/60/25/599396025.db2.gz NRWQCSYMAPZTAM-UHFFFAOYSA-N 2 0 380.496 3.007 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC000824983480 607910665 /nfs/dbraw/zinc/91/06/65/607910665.db2.gz AGBNHDUHJGENRW-IAGOWNOFSA-N 2 0 376.508 3.113 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC000824983483 607910744 /nfs/dbraw/zinc/91/07/44/607910744.db2.gz AGBNHDUHJGENRW-LFUKPOHLSA-N 2 0 376.508 3.113 20 0 GGADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)cc1 ZINC000826521823 608105602 /nfs/dbraw/zinc/10/56/02/608105602.db2.gz ZSQOLQJTMCFSHO-UHFFFAOYSA-N 2 0 388.519 3.355 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825918931 608207523 /nfs/dbraw/zinc/20/75/23/608207523.db2.gz PJJJSVIPCRTCRR-UHFFFAOYSA-N 2 0 377.496 3.000 20 0 GGADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)ccc1F ZINC000825870310 608512664 /nfs/dbraw/zinc/51/26/64/608512664.db2.gz GITOYRQYRVEMOS-FQEVSTJZSA-N 2 0 380.471 3.235 20 0 GGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cccc(-c5nn[nH]n5)c4)[C@@H]3C2)cc1 ZINC000826521367 609326824 /nfs/dbraw/zinc/32/68/24/609326824.db2.gz JSZPQRXPRQGTPK-BHDDXSALSA-N 2 0 388.519 3.257 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 ZINC000054037578 1406597932 /nfs/dbraw/zinc/59/79/32/1406597932.db2.gz JMUOSDIJNXMKTR-SJORKVTESA-N 2 0 390.553 3.470 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000054037621 1406598295 /nfs/dbraw/zinc/59/82/95/1406598295.db2.gz QSNQPGOTRUJGCR-LJQANCHMSA-N 2 0 376.545 3.228 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000054037619 1406598317 /nfs/dbraw/zinc/59/83/17/1406598317.db2.gz QSNQPGOTRUJGCR-IBGZPJMESA-N 2 0 376.545 3.228 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000054039771 1406600746 /nfs/dbraw/zinc/60/07/46/1406600746.db2.gz DJRWZPPHCMYLEN-HOTGVXAUSA-N 2 0 376.526 3.080 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054044785 1406602760 /nfs/dbraw/zinc/60/27/60/1406602760.db2.gz CFJVKDXVPHAQGO-HSZRJFAPSA-N 2 0 392.547 3.225 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000054376101 1406707537 /nfs/dbraw/zinc/70/75/37/1406707537.db2.gz BUIAPWGSQHZJON-UHFFFAOYSA-N 2 0 385.556 3.102 20 0 GGADRP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054377649 1406708493 /nfs/dbraw/zinc/70/84/93/1406708493.db2.gz TYRSOWLFZFQKOX-UHFFFAOYSA-N 2 0 378.948 3.090 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000054720622 1406812820 /nfs/dbraw/zinc/81/28/20/1406812820.db2.gz ZDHBVNLWLZRABM-CTNGQTDRSA-N 2 0 384.568 3.482 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000054777642 1406822781 /nfs/dbraw/zinc/82/27/81/1406822781.db2.gz KWFYSSXLCIMCJG-UHFFFAOYSA-N 2 0 394.563 3.391 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000024566690 1399643224 /nfs/dbraw/zinc/64/32/24/1399643224.db2.gz JXXHUBAPCVXQHT-LJQANCHMSA-N 2 0 386.565 3.315 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000024566688 1399643498 /nfs/dbraw/zinc/64/34/98/1399643498.db2.gz JXXHUBAPCVXQHT-IBGZPJMESA-N 2 0 386.565 3.315 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000026100173 1399859351 /nfs/dbraw/zinc/85/93/51/1399859351.db2.gz MLUZXDZDXGMIBP-QHCPKHFHSA-N 2 0 377.532 3.235 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000027233841 1400008526 /nfs/dbraw/zinc/00/85/26/1400008526.db2.gz FTZAKRUPKNJLOJ-UHFFFAOYSA-N 2 0 379.548 3.332 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000056155014 1407231803 /nfs/dbraw/zinc/23/18/03/1407231803.db2.gz VDBBTSPTEIPBAZ-QGZVFWFLSA-N 2 0 388.556 3.021 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC000056156156 1407232525 /nfs/dbraw/zinc/23/25/25/1407232525.db2.gz DEWDWVOXLQNHOS-SJORKVTESA-N 2 0 388.556 3.021 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC000056156157 1407232691 /nfs/dbraw/zinc/23/26/91/1407232691.db2.gz DEWDWVOXLQNHOS-IRXDYDNUSA-N 2 0 388.556 3.021 20 0 GGADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156191 1407232880 /nfs/dbraw/zinc/23/28/80/1407232880.db2.gz KDRKFFGCCXHTDZ-ROUUACIJSA-N 2 0 388.556 3.021 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)c1 ZINC000056184780 1407243851 /nfs/dbraw/zinc/24/38/51/1407243851.db2.gz ZZLJVGDPEFAFKO-KRWDZBQOSA-N 2 0 396.535 3.005 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC(C)(C)[NH2+]1 ZINC000042910360 1403672681 /nfs/dbraw/zinc/67/26/81/1403672681.db2.gz KZMALWBOBPWFCR-QGZVFWFLSA-N 2 0 376.545 3.415 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000042929471 1403674671 /nfs/dbraw/zinc/67/46/71/1403674671.db2.gz WINAITJYYCOGNB-UHFFFAOYSA-N 2 0 384.568 3.311 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929673 1403675629 /nfs/dbraw/zinc/67/56/29/1403675629.db2.gz NRFUSWKMUXVZEN-FQEVSTJZSA-N 2 0 386.584 3.462 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043038007 1403694765 /nfs/dbraw/zinc/69/47/65/1403694765.db2.gz HBIBSQUESBCQQN-GOSISDBHSA-N 2 0 378.586 3.497 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043167388 1403723424 /nfs/dbraw/zinc/72/34/24/1403723424.db2.gz SPQHSOWRALFLDH-OAQYLSRUSA-N 2 0 396.535 3.334 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043167387 1403723652 /nfs/dbraw/zinc/72/36/52/1403723652.db2.gz SPQHSOWRALFLDH-NRFANRHFSA-N 2 0 396.535 3.334 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)c(C)c2)CC1 ZINC000043522312 1403779164 /nfs/dbraw/zinc/77/91/64/1403779164.db2.gz VEWVKPLWPZESHZ-UHFFFAOYSA-N 2 0 399.583 3.229 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)c(C)c2)CC1 ZINC000043526562 1403779844 /nfs/dbraw/zinc/77/98/44/1403779844.db2.gz PPQGETUEHLWJST-UHFFFAOYSA-N 2 0 387.572 3.131 20 0 GGADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000043586313 1403788768 /nfs/dbraw/zinc/78/87/68/1403788768.db2.gz BRNCOTNQEXPWLT-UHFFFAOYSA-N 2 0 387.572 3.215 20 0 GGADRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)C ZINC000043799683 1403818847 /nfs/dbraw/zinc/81/88/47/1403818847.db2.gz QVVDEJTXLLVTLG-JOCHJYFZSA-N 2 0 399.583 3.259 20 0 GGADRP C[N@H+](CCCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000043800434 1403819542 /nfs/dbraw/zinc/81/95/42/1403819542.db2.gz YTOWEYTUISXVDS-UHFFFAOYSA-N 2 0 395.551 3.082 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=S)NCCC[NH+](C)C)cc2)C1 ZINC000044152574 1403888643 /nfs/dbraw/zinc/88/86/43/1403888643.db2.gz OIFULMDQVNENSR-ROUUACIJSA-N 2 0 376.614 3.080 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000056572528 1407365222 /nfs/dbraw/zinc/36/52/22/1407365222.db2.gz ZSOOVRNIJQOMIF-UHFFFAOYSA-N 2 0 387.572 3.024 20 0 GGADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182364 1404068961 /nfs/dbraw/zinc/06/89/61/1404068961.db2.gz QQFDPANLANTNOX-UHFFFAOYSA-N 2 0 378.948 3.090 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccsc1 ZINC000045541242 1404142966 /nfs/dbraw/zinc/14/29/66/1404142966.db2.gz JNNJUCVTOGHBKN-FQEVSTJZSA-N 2 0 386.565 3.446 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000045777491 1404201457 /nfs/dbraw/zinc/20/14/57/1404201457.db2.gz PLSXILHOYLJRBZ-FCHUYYIVSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)cc2)C1 ZINC000045786564 1404204614 /nfs/dbraw/zinc/20/46/14/1404204614.db2.gz PHBGFWUHFQUODI-STZQEDGTSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045983947 1404262148 /nfs/dbraw/zinc/26/21/48/1404262148.db2.gz QHLHZJLNYPYSDV-LJQANCHMSA-N 2 0 387.572 3.215 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccsc1 ZINC000046347149 1404377134 /nfs/dbraw/zinc/37/71/34/1404377134.db2.gz LATZFAICJMBYPA-HXUWFJFHSA-N 2 0 386.565 3.268 20 0 GGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047301917 1404795720 /nfs/dbraw/zinc/79/57/20/1404795720.db2.gz GMMNGELRDSIWLE-QHCPKHFHSA-N 2 0 377.532 3.289 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000047302519 1404797520 /nfs/dbraw/zinc/79/75/20/1404797520.db2.gz JXMLSEMLQOKLQR-QFIPXVFZSA-N 2 0 383.511 3.457 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047366928 1404817775 /nfs/dbraw/zinc/81/77/75/1404817775.db2.gz VZIFGAPUFSKLMX-UHFFFAOYSA-N 2 0 399.583 3.229 20 0 GGADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)nc2)CC1 ZINC000047523322 1404857628 /nfs/dbraw/zinc/85/76/28/1404857628.db2.gz SEQMRBVDENCPSC-UHFFFAOYSA-N 2 0 393.535 3.072 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000047871721 1404978140 /nfs/dbraw/zinc/97/81/40/1404978140.db2.gz APVKMQQCWUWHJI-OTWHNJEPSA-N 2 0 376.545 3.084 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000047929657 1405001228 /nfs/dbraw/zinc/00/12/28/1405001228.db2.gz BYMHUAVFLQJJQI-HSZRJFAPSA-N 2 0 396.579 3.499 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000047935791 1405002788 /nfs/dbraw/zinc/00/27/88/1405002788.db2.gz JZRPGFXICNSMGR-RTWAWAEBSA-N 2 0 384.499 3.002 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000047935793 1405003032 /nfs/dbraw/zinc/00/30/32/1405003032.db2.gz JZRPGFXICNSMGR-SFTDATJTSA-N 2 0 384.499 3.002 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964776 1405012889 /nfs/dbraw/zinc/01/28/89/1405012889.db2.gz FRRHNAIRKLSBHY-QHCPKHFHSA-N 2 0 392.547 3.356 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000047978916 1405014304 /nfs/dbraw/zinc/01/43/04/1405014304.db2.gz FYJPCUMSCNKKAL-RTBURBONSA-N 2 0 386.584 3.448 20 0 GGADRP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048564997 1405226560 /nfs/dbraw/zinc/22/65/60/1405226560.db2.gz ZOXCMJBRKJOTSE-QFIPXVFZSA-N 2 0 388.552 3.217 20 0 GGADRP O[C@@H](COCc1ccccc1F)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564876 1405226782 /nfs/dbraw/zinc/22/67/82/1405226782.db2.gz OBRQCQLTWOQDCT-OAQYLSRUSA-N 2 0 378.532 3.291 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000048715076 1405265736 /nfs/dbraw/zinc/26/57/36/1405265736.db2.gz REPFCOHTHJLBRX-JOCHJYFZSA-N 2 0 381.520 3.080 20 0 GGADRP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000048717343 1405266682 /nfs/dbraw/zinc/26/66/82/1405266682.db2.gz PTMDTDFZPFGXSS-UHFFFAOYSA-N 2 0 380.492 3.316 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000050136838 1405496612 /nfs/dbraw/zinc/49/66/12/1405496612.db2.gz ITXYHNFLDMUHPL-ROUUACIJSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137040 1405497644 /nfs/dbraw/zinc/49/76/44/1405497644.db2.gz IHWPNSWXCFAAOW-SFHVURJKSA-N 2 0 380.602 3.189 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000050136840 1405497800 /nfs/dbraw/zinc/49/78/00/1405497800.db2.gz ITXYHNFLDMUHPL-ZWKOTPCHSA-N 2 0 378.586 3.134 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000052000369 1405895714 /nfs/dbraw/zinc/89/57/14/1405895714.db2.gz QORUVKPMSQSPKI-UHFFFAOYSA-N 2 0 379.548 3.250 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056788352 1407433165 /nfs/dbraw/zinc/43/31/65/1407433165.db2.gz USUHZAOFXMDFOV-QZTJIDSGSA-N 2 0 390.547 3.210 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056796627 1407435729 /nfs/dbraw/zinc/43/57/29/1407435729.db2.gz LKECMLMQBJMVBP-QFIPXVFZSA-N 2 0 398.526 3.173 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccs1 ZINC000056937829 1407478764 /nfs/dbraw/zinc/47/87/64/1407478764.db2.gz PUUDSDIVJXKGBD-SJORKVTESA-N 2 0 378.517 3.092 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(F)cc1 ZINC000056937828 1407479058 /nfs/dbraw/zinc/47/90/58/1407479058.db2.gz PUUDSDIVJXKGBD-IRXDYDNUSA-N 2 0 378.517 3.092 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC000057054271 1407509121 /nfs/dbraw/zinc/50/91/21/1407509121.db2.gz IRNMEGKSDOMVJZ-UHFFFAOYSA-N 2 0 384.524 3.121 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057123969 1407527884 /nfs/dbraw/zinc/52/78/84/1407527884.db2.gz XZCRPIYUQOKYMB-NRFANRHFSA-N 2 0 381.520 3.445 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057123971 1407528119 /nfs/dbraw/zinc/52/81/19/1407528119.db2.gz LREGFCSPOAFMCE-SFTDATJTSA-N 2 0 381.520 3.445 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000057164349 1407539963 /nfs/dbraw/zinc/53/99/63/1407539963.db2.gz MZCYXBQGBPGDER-KRWDZBQOSA-N 2 0 392.975 3.478 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000057166099 1407540713 /nfs/dbraw/zinc/54/07/13/1407540713.db2.gz DPZKGLDZBIGCKH-GHTZIAJQSA-N 2 0 388.556 3.006 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057174880 1407545728 /nfs/dbraw/zinc/54/57/28/1407545728.db2.gz FAQVETMIHSEJLT-UHFFFAOYSA-N 2 0 392.547 3.074 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000057632409 1407672382 /nfs/dbraw/zinc/67/23/82/1407672382.db2.gz CVYJQGOHDRMJAL-UHFFFAOYSA-N 2 0 384.568 3.489 20 0 GGADRP Cc1ccc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc(=O)n2c1 ZINC000057843783 1407736209 /nfs/dbraw/zinc/73/62/09/1407736209.db2.gz ZNSYHHYWQVZJNX-UHFFFAOYSA-N 2 0 390.531 3.347 20 0 GGADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889575 1407748032 /nfs/dbraw/zinc/74/80/32/1407748032.db2.gz UGWMMCSYJKAETK-JOCHJYFZSA-N 2 0 390.568 3.161 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000058533433 1407841487 /nfs/dbraw/zinc/84/14/87/1407841487.db2.gz URRLNWFKAFCRRM-RTBURBONSA-N 2 0 387.572 3.131 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000176375608 1428283047 /nfs/dbraw/zinc/28/30/47/1428283047.db2.gz WKLHCSWZMUXWSM-DHIUTWEWSA-N 2 0 398.595 3.115 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000176375248 1428283269 /nfs/dbraw/zinc/28/32/69/1428283269.db2.gz KDHCTGKOLMJJAQ-GOSISDBHSA-N 2 0 378.586 3.447 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000060954759 1408055793 /nfs/dbraw/zinc/05/57/93/1408055793.db2.gz BPXCIIUHTSEUCC-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP C[N@H+](CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000061501797 1408137968 /nfs/dbraw/zinc/13/79/68/1408137968.db2.gz SFWPAFGZHVMJOE-HSZRJFAPSA-N 2 0 394.563 3.472 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000061792614 1408177022 /nfs/dbraw/zinc/17/70/22/1408177022.db2.gz DQTDGYYVKSPZFO-UHFFFAOYSA-N 2 0 388.581 3.026 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000061908521 1408189992 /nfs/dbraw/zinc/18/99/92/1408189992.db2.gz YOQDORNWRUKBAJ-IBGZPJMESA-N 2 0 394.563 3.384 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H](C)O1 ZINC000062252949 1408224614 /nfs/dbraw/zinc/22/46/14/1408224614.db2.gz ONLIDKZWWKQUIX-HOTGVXAUSA-N 2 0 382.932 3.480 20 0 GGADRP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000062426609 1408256411 /nfs/dbraw/zinc/25/64/11/1408256411.db2.gz XEMXBEQKBQTEQF-HXUWFJFHSA-N 2 0 379.483 3.408 20 0 GGADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000062426485 1408256607 /nfs/dbraw/zinc/25/66/07/1408256607.db2.gz ZQAGCRVHRYFISP-HXUWFJFHSA-N 2 0 375.520 3.484 20 0 GGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(C)C ZINC000062474153 1408262742 /nfs/dbraw/zinc/26/27/42/1408262742.db2.gz RQLSCXOSKHCOIO-UHFFFAOYSA-N 2 0 384.515 3.157 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473662 1408263105 /nfs/dbraw/zinc/26/31/05/1408263105.db2.gz TWFCKJCUGZUWAK-UHFFFAOYSA-N 2 0 396.526 3.347 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000062527880 1408274250 /nfs/dbraw/zinc/27/42/50/1408274250.db2.gz YMFXLFZDRBJKDF-LJQANCHMSA-N 2 0 378.605 3.452 20 0 GGADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000063143305 1408307463 /nfs/dbraw/zinc/30/74/63/1408307463.db2.gz KKWKLUUFZAGPSO-JOCHJYFZSA-N 2 0 396.604 3.418 20 0 GGADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063147094 1408308051 /nfs/dbraw/zinc/30/80/51/1408308051.db2.gz AWGGUOFOKHQPMW-UHFFFAOYSA-N 2 0 396.604 3.474 20 0 GGADRP C[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000063150088 1408309658 /nfs/dbraw/zinc/30/96/58/1408309658.db2.gz OFOBMNXAYCESAB-LJQANCHMSA-N 2 0 388.625 3.237 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000063407608 1408350249 /nfs/dbraw/zinc/35/02/49/1408350249.db2.gz BHUBUKBZZDTVTD-IBGZPJMESA-N 2 0 398.595 3.387 20 0 GGADRP CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441438 1408354521 /nfs/dbraw/zinc/35/45/21/1408354521.db2.gz FYHQZWKSNNPYHL-UHFFFAOYSA-O 2 0 396.580 3.468 20 0 GGADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063466826 1408359443 /nfs/dbraw/zinc/35/94/43/1408359443.db2.gz LMXYDSUFQJSPGQ-UHFFFAOYSA-N 2 0 394.563 3.283 20 0 GGADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC000063643422 1408386802 /nfs/dbraw/zinc/38/68/02/1408386802.db2.gz GAULQEBNMSGJFZ-QHCPKHFHSA-N 2 0 392.547 3.350 20 0 GGADRP CCC[N@H+](C)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063756044 1408403312 /nfs/dbraw/zinc/40/33/12/1408403312.db2.gz RFCRZIUIXBDOJP-UHFFFAOYSA-N 2 0 394.563 3.285 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000176432362 1428318318 /nfs/dbraw/zinc/31/83/18/1428318318.db2.gz IQQFLFDFFVOQGN-IBGZPJMESA-N 2 0 392.544 3.263 20 0 GGADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000063915385 1408444930 /nfs/dbraw/zinc/44/49/30/1408444930.db2.gz SJJBQHZXZFGWSV-IBGZPJMESA-N 2 0 377.532 3.459 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000064229450 1408515677 /nfs/dbraw/zinc/51/56/77/1408515677.db2.gz PXRRBBXIYGIUKZ-UHFFFAOYSA-N 2 0 386.540 3.313 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000064237898 1408519327 /nfs/dbraw/zinc/51/93/27/1408519327.db2.gz XPFGGKPEWXLRDO-UHFFFAOYSA-N 2 0 384.568 3.489 20 0 GGADRP CN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](c2ccccc2)C1 ZINC000176490184 1428337812 /nfs/dbraw/zinc/33/78/12/1428337812.db2.gz QMQXOCMZILMMBC-QFIPXVFZSA-N 2 0 384.568 3.482 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000065441594 1408670004 /nfs/dbraw/zinc/67/00/04/1408670004.db2.gz RUQQKJIAEONATQ-KNQAVFIVSA-N 2 0 386.584 3.448 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000065467686 1408673464 /nfs/dbraw/zinc/67/34/64/1408673464.db2.gz SOJYZHFDADFLIB-XXBNENTESA-N 2 0 394.563 3.344 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000065468334 1408673495 /nfs/dbraw/zinc/67/34/95/1408673495.db2.gz DTTIKJCUQDUXCO-SFTDATJTSA-N 2 0 386.515 3.339 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000065469874 1408673818 /nfs/dbraw/zinc/67/38/18/1408673818.db2.gz ISNJDSBZFDIVFD-QFIPXVFZSA-N 2 0 398.551 3.038 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000065475437 1408674865 /nfs/dbraw/zinc/67/48/65/1408674865.db2.gz XHYPDLHRIVGGPT-CEXWTWQISA-N 2 0 390.572 3.472 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000065518023 1408682407 /nfs/dbraw/zinc/68/24/07/1408682407.db2.gz RTDZDCIKRNDFLQ-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000065541750 1408686357 /nfs/dbraw/zinc/68/63/57/1408686357.db2.gz NLFWQHQVJMWZIP-FQEVSTJZSA-N 2 0 384.524 3.238 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000176508480 1428343852 /nfs/dbraw/zinc/34/38/52/1428343852.db2.gz GTQSJXFAHBCPHG-JOCHJYFZSA-N 2 0 386.584 3.176 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000065858300 1408743175 /nfs/dbraw/zinc/74/31/75/1408743175.db2.gz FYPCHQYEYCXOBM-GMAHTHKFSA-N 2 0 397.538 3.327 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000065996805 1408771644 /nfs/dbraw/zinc/77/16/44/1408771644.db2.gz XFZGAAPIFXVMCM-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066178602 1408787641 /nfs/dbraw/zinc/78/76/41/1408787641.db2.gz SQRSUUJWXSYIPM-KNQAVFIVSA-N 2 0 384.568 3.441 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000066178597 1408787728 /nfs/dbraw/zinc/78/77/28/1408787728.db2.gz IQCIYARCMHWFJK-QFIPXVFZSA-N 2 0 384.568 3.298 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066191682 1408789402 /nfs/dbraw/zinc/78/94/02/1408789402.db2.gz FJUKABLKGWMTGQ-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000066191971 1408789475 /nfs/dbraw/zinc/78/94/75/1408789475.db2.gz NXDXAMJMNFQXPY-UHFFFAOYSA-N 2 0 392.613 3.476 20 0 GGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000066830655 1408923572 /nfs/dbraw/zinc/92/35/72/1408923572.db2.gz ZFNRVDIGUOPFHV-UHFFFAOYSA-N 2 0 387.568 3.007 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000066921545 1408952396 /nfs/dbraw/zinc/95/23/96/1408952396.db2.gz ZFXAVDRLEYGAGN-UHFFFAOYSA-N 2 0 381.564 3.413 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000176558281 1428363380 /nfs/dbraw/zinc/36/33/80/1428363380.db2.gz TZHAARGEAYGGNZ-UHFFFAOYSA-N 2 0 392.613 3.329 20 0 GGADRP O=C1OCCN1c1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000066974106 1408969433 /nfs/dbraw/zinc/96/94/33/1408969433.db2.gz OFVQBKAYPCBHPZ-UHFFFAOYSA-N 2 0 395.503 3.408 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000066994626 1408974687 /nfs/dbraw/zinc/97/46/87/1408974687.db2.gz IRJWQNZJNRVELG-UHFFFAOYSA-N 2 0 395.425 3.166 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000066994722 1408974853 /nfs/dbraw/zinc/97/48/53/1408974853.db2.gz UCORKJNWSLGZEO-UHFFFAOYSA-N 2 0 390.325 3.030 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccco1 ZINC000067003498 1408977647 /nfs/dbraw/zinc/97/76/47/1408977647.db2.gz SJBPPXSKEMDALY-QZTJIDSGSA-N 2 0 388.512 3.392 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067189305 1409036579 /nfs/dbraw/zinc/03/65/79/1409036579.db2.gz XTIOPUHBOWJPSL-HDICACEKSA-N 2 0 384.568 3.260 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067282591 1409063664 /nfs/dbraw/zinc/06/36/64/1409063664.db2.gz KWIFALDLWAOFED-QFIPXVFZSA-N 2 0 386.584 3.270 20 0 GGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000067382622 1409095291 /nfs/dbraw/zinc/09/52/91/1409095291.db2.gz ZHKASWQJEACAEN-QHCPKHFHSA-N 2 0 396.579 3.453 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000067671624 1409203738 /nfs/dbraw/zinc/20/37/38/1409203738.db2.gz JHPWDEGTYAUAQJ-ZDUSSCGKSA-N 2 0 393.425 3.005 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067672513 1409203888 /nfs/dbraw/zinc/20/38/88/1409203888.db2.gz JZCNIKXBLDQLCJ-UHFFFAOYSA-N 2 0 395.473 3.008 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067671752 1409203945 /nfs/dbraw/zinc/20/39/45/1409203945.db2.gz NHAGAVNGJSVERD-INIZCTEOSA-N 2 0 395.473 3.007 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000067691557 1409207595 /nfs/dbraw/zinc/20/75/95/1409207595.db2.gz RIXMYQULROHOSO-FQEVSTJZSA-N 2 0 387.568 3.290 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000067691230 1409207665 /nfs/dbraw/zinc/20/76/65/1409207665.db2.gz OPBJCORNVBFBCP-UHFFFAOYSA-N 2 0 387.568 3.290 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067691504 1409207669 /nfs/dbraw/zinc/20/76/69/1409207669.db2.gz LKHRGSHFHDEZDI-UHFFFAOYSA-N 2 0 395.473 3.008 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000067704226 1409209853 /nfs/dbraw/zinc/20/98/53/1409209853.db2.gz PPPPRNQOBXAJSM-JOCHJYFZSA-N 2 0 398.551 3.497 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000067704228 1409209946 /nfs/dbraw/zinc/20/99/46/1409209946.db2.gz PPPPRNQOBXAJSM-QFIPXVFZSA-N 2 0 398.551 3.497 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067735056 1409216965 /nfs/dbraw/zinc/21/69/65/1409216965.db2.gz PDHSSSDPICWFCX-NRFANRHFSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067773973 1409227445 /nfs/dbraw/zinc/22/74/45/1409227445.db2.gz RTNKPKQLKPWPBU-UHFFFAOYSA-N 2 0 386.584 3.272 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176637063 1428386853 /nfs/dbraw/zinc/38/68/53/1428386853.db2.gz PCYYDRHNEDIREJ-QZTJIDSGSA-N 2 0 380.602 3.474 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176637032 1428386903 /nfs/dbraw/zinc/38/69/03/1428386903.db2.gz PCYYDRHNEDIREJ-MSOLQXFVSA-N 2 0 380.602 3.474 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000068332524 1409370053 /nfs/dbraw/zinc/37/00/53/1409370053.db2.gz JWVXKEZHQCCBDJ-UHFFFAOYSA-N 2 0 377.426 3.190 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000068441995 1409403978 /nfs/dbraw/zinc/40/39/78/1409403978.db2.gz YGTZSJWWZQJZPQ-NRFANRHFSA-N 2 0 394.519 3.180 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000068562540 1409440002 /nfs/dbraw/zinc/44/00/02/1409440002.db2.gz LGHATOZWZOQKGM-SFHVURJKSA-N 2 0 392.544 3.263 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068567223 1409440851 /nfs/dbraw/zinc/44/08/51/1409440851.db2.gz FDZVRTZESMFEMF-UHFFFAOYSA-N 2 0 386.515 3.161 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1 ZINC000068580511 1409444796 /nfs/dbraw/zinc/44/47/96/1409444796.db2.gz DBLJIEZDLHRGEE-UHFFFAOYSA-N 2 0 396.526 3.158 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000068582781 1409444803 /nfs/dbraw/zinc/44/48/03/1409444803.db2.gz OBODEHFPRCJVFP-UHFFFAOYSA-N 2 0 386.515 3.161 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000068580510 1409444881 /nfs/dbraw/zinc/44/48/81/1409444881.db2.gz NKNHSFYSPMKDJC-UHFFFAOYSA-N 2 0 396.526 3.158 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000068581324 1409444893 /nfs/dbraw/zinc/44/48/93/1409444893.db2.gz NLVVVPSUEKBWPB-IBGZPJMESA-N 2 0 392.544 3.263 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176689786 1428409169 /nfs/dbraw/zinc/40/91/69/1428409169.db2.gz IUHVWOPYCFMLBP-JOCHJYFZSA-N 2 0 387.568 3.047 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000068887022 1409516151 /nfs/dbraw/zinc/51/61/51/1409516151.db2.gz KSZJOHDJIVUKCH-OAQYLSRUSA-N 2 0 390.547 3.382 20 0 GGADRP COc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1SC ZINC000069171003 1409580168 /nfs/dbraw/zinc/58/01/68/1409580168.db2.gz UUWSPDRZCJPNSC-HXUWFJFHSA-N 2 0 385.577 3.495 20 0 GGADRP COc1cccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+](C)C)c1 ZINC000069180148 1409582306 /nfs/dbraw/zinc/58/23/06/1409582306.db2.gz DNOFPDQXEHCBKZ-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000069180015 1409582450 /nfs/dbraw/zinc/58/24/50/1409582450.db2.gz ZKULZDWOWMFDRP-OAQYLSRUSA-N 2 0 381.520 3.324 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069221243 1409589117 /nfs/dbraw/zinc/58/91/17/1409589117.db2.gz SRSWSFAWUQGCCM-JOCHJYFZSA-N 2 0 384.568 3.311 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069221245 1409589274 /nfs/dbraw/zinc/58/92/74/1409589274.db2.gz SRSWSFAWUQGCCM-QFIPXVFZSA-N 2 0 384.568 3.311 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[N@@H+](C(C)C)CC3)c(C)c2)CC1 ZINC000069224665 1409589768 /nfs/dbraw/zinc/58/97/68/1409589768.db2.gz ZGYYNCDLXISMMS-UHFFFAOYSA-N 2 0 387.572 3.085 20 0 GGADRP c1ccc(CN2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)nc1 ZINC000069710811 1409679394 /nfs/dbraw/zinc/67/93/94/1409679394.db2.gz RDDDFSIBCMLWJW-UHFFFAOYSA-N 2 0 394.563 3.310 20 0 GGADRP CCOc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC ZINC000069785296 1409698569 /nfs/dbraw/zinc/69/85/69/1409698569.db2.gz IOKHUCMCLXKIBI-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000069833382 1409712008 /nfs/dbraw/zinc/71/20/08/1409712008.db2.gz KPMKGDJYZZOHLR-KDURUIRLSA-N 2 0 391.519 3.166 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000070870203 1409794343 /nfs/dbraw/zinc/79/43/43/1409794343.db2.gz AZDBPKRDPBDTOH-INIZCTEOSA-N 2 0 383.492 3.374 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044420 1409840816 /nfs/dbraw/zinc/84/08/16/1409840816.db2.gz OINOHNPYLYKKOJ-ROUUACIJSA-N 2 0 378.586 3.305 20 0 GGADRP Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c(C[NH+](C)C)c1 ZINC000073129100 1409858256 /nfs/dbraw/zinc/85/82/56/1409858256.db2.gz FIJWGRFWKCCCBM-UHFFFAOYSA-N 2 0 380.536 3.056 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073541810 1409861929 /nfs/dbraw/zinc/86/19/29/1409861929.db2.gz XBWWBNKWLAOSGO-LJQANCHMSA-N 2 0 378.948 3.088 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536468 1409861972 /nfs/dbraw/zinc/86/19/72/1409861972.db2.gz JXGZGGIVGYVPPI-JOCHJYFZSA-N 2 0 386.584 3.416 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000073618402 1409862790 /nfs/dbraw/zinc/86/27/90/1409862790.db2.gz UJWJUPQHNLBOPJ-NRFANRHFSA-N 2 0 386.584 3.067 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000073618404 1409863436 /nfs/dbraw/zinc/86/34/36/1409863436.db2.gz UJWJUPQHNLBOPJ-OAQYLSRUSA-N 2 0 386.584 3.067 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000073681136 1409864552 /nfs/dbraw/zinc/86/45/52/1409864552.db2.gz OXYLAQXJQSBUOQ-JOCHJYFZSA-N 2 0 380.536 3.385 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000073897630 1409866799 /nfs/dbraw/zinc/86/67/99/1409866799.db2.gz YTJXAELURZGHEF-UNMCSNQZSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000073897635 1409866852 /nfs/dbraw/zinc/86/68/52/1409866852.db2.gz YTJXAELURZGHEF-IFMALSPDSA-N 2 0 386.584 3.270 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000073903368 1409867091 /nfs/dbraw/zinc/86/70/91/1409867091.db2.gz VVFBAXRLRFNGEK-FCHUYYIVSA-N 2 0 386.584 3.414 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000074008405 1409868669 /nfs/dbraw/zinc/86/86/69/1409868669.db2.gz GVJSKQOQIYWALT-PMACEKPBSA-N 2 0 378.605 3.403 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000074678861 1409875442 /nfs/dbraw/zinc/87/54/42/1409875442.db2.gz FESPYMPDNBEJKB-SFHVURJKSA-N 2 0 377.598 3.403 20 0 GGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[NH+](C)C)cc1 ZINC000074833176 1409877066 /nfs/dbraw/zinc/87/70/66/1409877066.db2.gz GMTJJQWYKGQYOL-UNMCSNQZSA-N 2 0 386.584 3.225 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074848828 1409877663 /nfs/dbraw/zinc/87/76/63/1409877663.db2.gz GDCSAYZIQZMCLZ-HXUWFJFHSA-N 2 0 386.584 3.400 20 0 GGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000074879572 1409878961 /nfs/dbraw/zinc/87/89/61/1409878961.db2.gz HUBGGQBCHBIUMN-UYAOXDASSA-N 2 0 378.605 3.260 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000075007431 1409880099 /nfs/dbraw/zinc/88/00/99/1409880099.db2.gz YUGIIWUCWLXICT-UHFFFAOYSA-N 2 0 381.948 3.491 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CCC[NH2+]4)cc3)CC2)c1 ZINC000075631392 1409882221 /nfs/dbraw/zinc/88/22/21/1409882221.db2.gz HFOGSVVQWRKLEV-JOCHJYFZSA-N 2 0 378.520 3.008 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000075762889 1409882573 /nfs/dbraw/zinc/88/25/73/1409882573.db2.gz REIPEMOUMAWPJD-QFIPXVFZSA-N 2 0 382.552 3.022 20 0 GGADRP CCOc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1OCC(C)C ZINC000075762555 1409882765 /nfs/dbraw/zinc/88/27/65/1409882765.db2.gz SEIMCVGJASACFT-UHFFFAOYSA-N 2 0 377.573 3.236 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000075763160 1409883044 /nfs/dbraw/zinc/88/30/44/1409883044.db2.gz KMEOOWDKCBVFGA-SFHVURJKSA-N 2 0 383.964 3.109 20 0 GGADRP COc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC(C)C ZINC000075763086 1409883306 /nfs/dbraw/zinc/88/33/06/1409883306.db2.gz LQQWCHKXYHOPED-HXUWFJFHSA-N 2 0 377.573 3.092 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000076097526 1409885237 /nfs/dbraw/zinc/88/52/37/1409885237.db2.gz FBOATFNSCOPGSU-UHFFFAOYSA-N 2 0 376.545 3.213 20 0 GGADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)[C@H](C)C1 ZINC000076487960 1409888766 /nfs/dbraw/zinc/88/87/66/1409888766.db2.gz YFKBNVGXISZCCH-YLJYHZDGSA-N 2 0 375.582 3.038 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)cn2)CC1 ZINC000077506846 1409896821 /nfs/dbraw/zinc/89/68/21/1409896821.db2.gz SWJXAKRWUSZSNA-UHFFFAOYSA-N 2 0 380.536 3.445 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000077545856 1409897186 /nfs/dbraw/zinc/89/71/86/1409897186.db2.gz ILFNGRQUTHVMNW-HXUWFJFHSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000077545857 1409897322 /nfs/dbraw/zinc/89/73/22/1409897322.db2.gz ILFNGRQUTHVMNW-FQEVSTJZSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000078714504 1409933225 /nfs/dbraw/zinc/93/32/25/1409933225.db2.gz QEKKYRFRHFWYEB-WIYYLYMNSA-N 2 0 375.557 3.459 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000079076696 1409954933 /nfs/dbraw/zinc/95/49/33/1409954933.db2.gz JXASRRWRJAKGBD-UHFFFAOYSA-N 2 0 376.545 3.195 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176742072 1428443953 /nfs/dbraw/zinc/44/39/53/1428443953.db2.gz WTRGGQBTJAJDIX-FCHUYYIVSA-N 2 0 386.584 3.414 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079168971 1409960721 /nfs/dbraw/zinc/96/07/21/1409960721.db2.gz PTLQFRRAPKZUFZ-LJQANCHMSA-N 2 0 384.568 3.202 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000079168920 1409960899 /nfs/dbraw/zinc/96/08/99/1409960899.db2.gz OKPDMVIUJGSQDD-OAQYLSRUSA-N 2 0 384.568 3.202 20 0 GGADRP C[NH+](C)C1(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CCCCC1 ZINC000079188759 1409962450 /nfs/dbraw/zinc/96/24/50/1409962450.db2.gz CNGDHCHRQUHMKC-UHFFFAOYSA-N 2 0 376.545 3.150 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000079224095 1409963863 /nfs/dbraw/zinc/96/38/63/1409963863.db2.gz NDQIANLCMURCQH-GOSISDBHSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000079309571 1409967778 /nfs/dbraw/zinc/96/77/78/1409967778.db2.gz QCGUNWHEIJZREE-MSOLQXFVSA-N 2 0 390.547 3.019 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394070 1409974661 /nfs/dbraw/zinc/97/46/61/1409974661.db2.gz WHJWSXIDGVBIHE-OAQYLSRUSA-N 2 0 386.584 3.416 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000079572795 1409982341 /nfs/dbraw/zinc/98/23/41/1409982341.db2.gz KJCBMCAIWZZHDW-GOSISDBHSA-N 2 0 378.586 3.258 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000079572644 1409982375 /nfs/dbraw/zinc/98/23/75/1409982375.db2.gz BFCGYZOPVQRYEK-FQEVSTJZSA-N 2 0 378.536 3.190 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079599328 1409982630 /nfs/dbraw/zinc/98/26/30/1409982630.db2.gz RZVPRYOCSYFHHB-QFIPXVFZSA-N 2 0 386.584 3.197 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000079596767 1409982867 /nfs/dbraw/zinc/98/28/67/1409982867.db2.gz NIORNXMCUQFBPL-UHFFFAOYSA-N 2 0 386.584 3.067 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000079627283 1409984393 /nfs/dbraw/zinc/98/43/93/1409984393.db2.gz KWRJGWSILIBWRY-JOCHJYFZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000079653467 1409985044 /nfs/dbraw/zinc/98/50/44/1409985044.db2.gz ACWSIEGMYOSOAJ-XLIONFOSSA-N 2 0 378.536 3.240 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000079653456 1409985337 /nfs/dbraw/zinc/98/53/37/1409985337.db2.gz KTCAVUPUIQZRME-XLIONFOSSA-N 2 0 378.536 3.382 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000079653437 1409985720 /nfs/dbraw/zinc/98/57/20/1409985720.db2.gz CGESASZGEZFGHP-HXUWFJFHSA-N 2 0 378.536 3.240 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000079653429 1409985910 /nfs/dbraw/zinc/98/59/10/1409985910.db2.gz CGESASZGEZFGHP-FQEVSTJZSA-N 2 0 378.536 3.240 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000079849659 1409990998 /nfs/dbraw/zinc/99/09/98/1409990998.db2.gz GCYUHPVLAZQGIK-IBGZPJMESA-N 2 0 376.545 3.322 20 0 GGADRP CC[C@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079982774 1409996193 /nfs/dbraw/zinc/99/61/93/1409996193.db2.gz VYHACJIZMCNCIT-OAQYLSRUSA-N 2 0 386.584 3.339 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000080012324 1409998551 /nfs/dbraw/zinc/99/85/51/1409998551.db2.gz FIBJZUDYODQMMW-UHFFFAOYSA-N 2 0 386.584 3.339 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080064795 1409999695 /nfs/dbraw/zinc/99/96/95/1409999695.db2.gz JLEHVGQXXOWNEX-KNQAVFIVSA-N 2 0 386.584 3.459 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080157103 1410001924 /nfs/dbraw/zinc/00/19/24/1410001924.db2.gz PWFYZKOUMHMBFT-KBWCOIMZSA-N 2 0 376.589 3.347 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000080645674 1410008744 /nfs/dbraw/zinc/00/87/44/1410008744.db2.gz SUUHKEKPJNSDMB-OALUTQOASA-N 2 0 375.557 3.075 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156068 1410015593 /nfs/dbraw/zinc/01/55/93/1410015593.db2.gz WTMSIKFUEBIGRW-LJQANCHMSA-N 2 0 380.536 3.103 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156151 1410015927 /nfs/dbraw/zinc/01/59/27/1410015927.db2.gz XGLJPZWNTGGLNT-UHFFFAOYSA-N 2 0 379.548 3.455 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000081243964 1410016381 /nfs/dbraw/zinc/01/63/81/1410016381.db2.gz AOKDTRWMEYXXLA-UHFFFAOYSA-N 2 0 377.598 3.104 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000081363203 1410018400 /nfs/dbraw/zinc/01/84/00/1410018400.db2.gz ZMUPRHNFQQMFOQ-VQTJNVASSA-N 2 0 375.532 3.228 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000083028001 1410027019 /nfs/dbraw/zinc/02/70/19/1410027019.db2.gz ILWYDBQWRUSGLC-SVFBPWRDSA-N 2 0 375.557 3.075 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000083028003 1410027152 /nfs/dbraw/zinc/02/71/52/1410027152.db2.gz ILWYDBQWRUSGLC-SBHAEUEKSA-N 2 0 375.557 3.075 20 0 GGADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(C)(C)C[NH+](C)C ZINC000085360079 1410039670 /nfs/dbraw/zinc/03/96/70/1410039670.db2.gz VCYDCIBBHSLHGO-INIZCTEOSA-N 2 0 380.602 3.236 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085389936 1410040379 /nfs/dbraw/zinc/04/03/79/1410040379.db2.gz ZTVFPEXFNHJMDL-UGKGYDQZSA-N 2 0 386.584 3.400 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000085456473 1410042249 /nfs/dbraw/zinc/04/22/49/1410042249.db2.gz GIKAVQORIAVDKK-OALUTQOASA-N 2 0 375.557 3.148 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000089123760 1410051499 /nfs/dbraw/zinc/05/14/99/1410051499.db2.gz MEATVGXRQYWIJS-GJZGRUSLSA-N 2 0 380.554 3.164 20 0 GGADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CC2)cc1 ZINC000090038871 1410061484 /nfs/dbraw/zinc/06/14/84/1410061484.db2.gz SLTWZUBFWDZWHW-HSZRJFAPSA-N 2 0 379.548 3.397 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000090172036 1410062875 /nfs/dbraw/zinc/06/28/75/1410062875.db2.gz ZOTHPNSWQHPHFZ-JOCHJYFZSA-N 2 0 384.612 3.188 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526331 1410063942 /nfs/dbraw/zinc/06/39/42/1410063942.db2.gz FBNLTXAIYNSYTF-DBVUQKKJSA-N 2 0 376.541 3.431 20 0 GGADRP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090234231 1410064465 /nfs/dbraw/zinc/06/44/65/1410064465.db2.gz RKRIUWUNYRGNGY-QZTJIDSGSA-N 2 0 375.557 3.363 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090585696 1410065063 /nfs/dbraw/zinc/06/50/63/1410065063.db2.gz GDFANFXKHNAJDX-MSOLQXFVSA-N 2 0 381.586 3.467 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090585706 1410065177 /nfs/dbraw/zinc/06/51/77/1410065177.db2.gz GDFANFXKHNAJDX-QZTJIDSGSA-N 2 0 381.586 3.467 20 0 GGADRP C[C@H]1C[C@H](NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090937360 1410067722 /nfs/dbraw/zinc/06/77/22/1410067722.db2.gz GNIZOYZVMUNLIP-SIKLNZKXSA-N 2 0 382.552 3.165 20 0 GGADRP CC[C@H](CSC)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000091097160 1410070019 /nfs/dbraw/zinc/07/00/19/1410070019.db2.gz KOBDVGFDKFQQKE-HXUWFJFHSA-N 2 0 377.598 3.149 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000091231332 1410071567 /nfs/dbraw/zinc/07/15/67/1410071567.db2.gz YXPXCJGUAVSUTA-FQEVSTJZSA-N 2 0 378.536 3.118 20 0 GGADRP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)C1 ZINC000091949132 1410094266 /nfs/dbraw/zinc/09/42/66/1410094266.db2.gz FDAZULPOCGXOKB-IBGZPJMESA-N 2 0 387.568 3.098 20 0 GGADRP CN(C)[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccco1 ZINC000092354734 1410141732 /nfs/dbraw/zinc/14/17/32/1410141732.db2.gz CBEIUXQWZDLAKC-IBGZPJMESA-N 2 0 376.932 3.077 20 0 GGADRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389206 1410149346 /nfs/dbraw/zinc/14/93/46/1410149346.db2.gz QJPUKSADDUNOQH-INIZCTEOSA-N 2 0 375.948 3.023 20 0 GGADRP CCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426235 1410156751 /nfs/dbraw/zinc/15/67/51/1410156751.db2.gz QCNBDFGMNNFYTM-UHFFFAOYSA-N 2 0 375.557 3.001 20 0 GGADRP CC(C)c1ncc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000092426318 1410157058 /nfs/dbraw/zinc/15/70/58/1410157058.db2.gz UAXKDGQCOPXTMB-UHFFFAOYSA-N 2 0 380.602 3.183 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000092567406 1410174689 /nfs/dbraw/zinc/17/46/89/1410174689.db2.gz AOINOOIKCQJOHX-ZYKFHVCXSA-N 2 0 380.573 3.244 20 0 GGADRP CCN(CC)c1ncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092586985 1410175194 /nfs/dbraw/zinc/17/51/94/1410175194.db2.gz VDLRUELQZNTJQM-CALCHBBNSA-N 2 0 380.602 3.311 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@@H](C)O1 ZINC000092587579 1410176100 /nfs/dbraw/zinc/17/61/00/1410176100.db2.gz PAHHBNJSLBLVBT-QZTJIDSGSA-N 2 0 386.515 3.333 20 0 GGADRP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000092587250 1410176533 /nfs/dbraw/zinc/17/65/33/1410176533.db2.gz IVLIKTXMDAFHOR-QZTJIDSGSA-N 2 0 376.541 3.415 20 0 GGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587314 1410177103 /nfs/dbraw/zinc/17/71/03/1410177103.db2.gz XCQACOQSEWLDCH-CALCHBBNSA-N 2 0 392.540 3.034 20 0 GGADRP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000092587251 1410177251 /nfs/dbraw/zinc/17/72/51/1410177251.db2.gz IVLIKTXMDAFHOR-ROUUACIJSA-N 2 0 376.541 3.415 20 0 GGADRP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1Oc1cccnc1 ZINC000092615752 1410180358 /nfs/dbraw/zinc/18/03/58/1410180358.db2.gz KDVKZPNBVYAGPB-UHFFFAOYSA-N 2 0 396.535 3.072 20 0 GGADRP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092704389 1410190712 /nfs/dbraw/zinc/19/07/12/1410190712.db2.gz SLWTYACQSXQRSR-LJQANCHMSA-N 2 0 389.540 3.260 20 0 GGADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092730417 1410193659 /nfs/dbraw/zinc/19/36/59/1410193659.db2.gz GGASRRNYCJHPCS-AZUAARDMSA-N 2 0 375.557 3.144 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092783882 1410199289 /nfs/dbraw/zinc/19/92/89/1410199289.db2.gz CERIUMFKZRYNIX-NRFANRHFSA-N 2 0 395.547 3.269 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000092783881 1410199541 /nfs/dbraw/zinc/19/95/41/1410199541.db2.gz CERIUMFKZRYNIX-OAQYLSRUSA-N 2 0 395.547 3.269 20 0 GGADRP C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820975 1410203817 /nfs/dbraw/zinc/20/38/17/1410203817.db2.gz SINWJUGWAIBLNQ-LJQANCHMSA-N 2 0 380.536 3.325 20 0 GGADRP C[C@H](C1CC1)N(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821387 1410204528 /nfs/dbraw/zinc/20/45/28/1410204528.db2.gz GORLGDOMYYVKIN-GOSISDBHSA-N 2 0 384.568 3.409 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000093064456 1410219831 /nfs/dbraw/zinc/21/98/31/1410219831.db2.gz JKIDBCLJXAPBHE-QFIPXVFZSA-N 2 0 378.520 3.079 20 0 GGADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093088606 1410221524 /nfs/dbraw/zinc/22/15/24/1410221524.db2.gz ARGISGPXYUXLAL-UHFFFAOYSA-N 2 0 384.524 3.022 20 0 GGADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000093133047 1410223563 /nfs/dbraw/zinc/22/35/63/1410223563.db2.gz XEHYRZRDYYXSFH-HXUWFJFHSA-N 2 0 375.557 3.086 20 0 GGADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000093133234 1410223624 /nfs/dbraw/zinc/22/36/24/1410223624.db2.gz MGLRIZCDPVENAS-NRFANRHFSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000093132767 1410223652 /nfs/dbraw/zinc/22/36/52/1410223652.db2.gz NNXZQNGIDPXDRG-SFHVURJKSA-N 2 0 396.362 3.481 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OCc3ccccc3)C2)CC1 ZINC000093133037 1410223693 /nfs/dbraw/zinc/22/36/93/1410223693.db2.gz MFMDNRJPDUJZBW-QHCPKHFHSA-N 2 0 379.548 3.477 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000093133007 1410223918 /nfs/dbraw/zinc/22/39/18/1410223918.db2.gz UXKPEYWICOSFGN-QFIPXVFZSA-N 2 0 395.595 3.382 20 0 GGADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000093133235 1410224299 /nfs/dbraw/zinc/22/42/99/1410224299.db2.gz MGLRIZCDPVENAS-OAQYLSRUSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4c(F)cccc4F)o3)C2)CC1 ZINC000093132894 1410224326 /nfs/dbraw/zinc/22/43/26/1410224326.db2.gz ZWVBVFILSYYRRD-MRXNPFEDSA-N 2 0 375.463 3.437 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740530 1410262936 /nfs/dbraw/zinc/26/29/36/1410262936.db2.gz NMTGSZVUMDKUNQ-UHFFFAOYSA-N 2 0 395.503 3.142 20 0 GGADRP O[C@H](C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)C(F)(F)F ZINC000093766867 1410265536 /nfs/dbraw/zinc/26/55/36/1410265536.db2.gz SIOZRPZNJHVGNN-LJQANCHMSA-N 2 0 386.458 3.296 20 0 GGADRP CN(C)C(=O)COc1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769326 1410265604 /nfs/dbraw/zinc/26/56/04/1410265604.db2.gz WMXRIINLNYPWMO-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000093769393 1410265666 /nfs/dbraw/zinc/26/56/66/1410265666.db2.gz FXHKMUKTESXNNF-UHFFFAOYSA-N 2 0 385.556 3.146 20 0 GGADRP O[C@@H](C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)C(F)(F)F ZINC000093766866 1410265751 /nfs/dbraw/zinc/26/57/51/1410265751.db2.gz SIOZRPZNJHVGNN-IBGZPJMESA-N 2 0 386.458 3.296 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000093842028 1410273536 /nfs/dbraw/zinc/27/35/36/1410273536.db2.gz LJHVJFUXZOQOCD-QFIPXVFZSA-N 2 0 376.541 3.177 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844268 1410275130 /nfs/dbraw/zinc/27/51/30/1410275130.db2.gz OLQLCEKPLRIFNF-KDURUIRLSA-N 2 0 397.567 3.193 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844493 1410275201 /nfs/dbraw/zinc/27/52/01/1410275201.db2.gz KCRNICMDOWDHLT-HDICACEKSA-N 2 0 376.589 3.256 20 0 GGADRP CCOC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844441 1410275267 /nfs/dbraw/zinc/27/52/67/1410275267.db2.gz VMFJDVBXXRTYOM-IRXDYDNUSA-N 2 0 378.513 3.168 20 0 GGADRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000093844372 1410275281 /nfs/dbraw/zinc/27/52/81/1410275281.db2.gz SFGFWESNXLPDJP-QZTJIDSGSA-N 2 0 376.541 3.415 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1)C1CC[NH+](C)CC1 ZINC000093870323 1410278544 /nfs/dbraw/zinc/27/85/44/1410278544.db2.gz KIPSTPGAKLBXGV-LJQANCHMSA-N 2 0 381.568 3.015 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000097437696 1410369795 /nfs/dbraw/zinc/36/97/95/1410369795.db2.gz SBTJACVOGUXDLE-LJQANCHMSA-N 2 0 396.645 3.302 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000101518395 1410444160 /nfs/dbraw/zinc/44/41/60/1410444160.db2.gz LVCIVOXQWPIUQS-HXUWFJFHSA-N 2 0 396.535 3.362 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000101518474 1410444229 /nfs/dbraw/zinc/44/42/29/1410444229.db2.gz YGFPORQUCQBHIZ-INIZCTEOSA-N 2 0 390.553 3.200 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000101518473 1410444415 /nfs/dbraw/zinc/44/44/15/1410444415.db2.gz YGFPORQUCQBHIZ-MRXNPFEDSA-N 2 0 390.553 3.200 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000101763213 1410500037 /nfs/dbraw/zinc/50/00/37/1410500037.db2.gz VPQXYOOMJYENCS-SJORKVTESA-N 2 0 390.553 3.389 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000101763217 1410500293 /nfs/dbraw/zinc/50/02/93/1410500293.db2.gz VPQXYOOMJYENCS-IRXDYDNUSA-N 2 0 390.553 3.389 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000101763227 1410500313 /nfs/dbraw/zinc/50/03/13/1410500313.db2.gz VPQXYOOMJYENCS-DLBZAZTESA-N 2 0 390.553 3.389 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000101796635 1410503580 /nfs/dbraw/zinc/50/35/80/1410503580.db2.gz ZEQAUDXXCFVLIR-NRFANRHFSA-N 2 0 386.584 3.068 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)[NH+](C)C)cc1 ZINC000102005364 1410541428 /nfs/dbraw/zinc/54/14/28/1410541428.db2.gz PVQVECIZCCEFLK-NRFANRHFSA-N 2 0 398.551 3.038 20 0 GGADRP C[NH+]1CCC(CCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000102640331 1410681840 /nfs/dbraw/zinc/68/18/40/1410681840.db2.gz ISBWVBRXMHDICL-FQEVSTJZSA-N 2 0 397.485 3.289 20 0 GGADRP COc1cccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000102781537 1410751769 /nfs/dbraw/zinc/75/17/69/1410751769.db2.gz RUDZOZKLMDPYIC-UHFFFAOYSA-N 2 0 384.520 3.475 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000103143040 1410831480 /nfs/dbraw/zinc/83/14/80/1410831480.db2.gz ZSECLTDIFHIXLZ-JOCHJYFZSA-N 2 0 386.511 3.409 20 0 GGADRP Cc1cccc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc(=O)n12 ZINC000103143168 1410831622 /nfs/dbraw/zinc/83/16/22/1410831622.db2.gz LPJHAFUQXWFWHB-UHFFFAOYSA-N 2 0 390.531 3.347 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000103175895 1410834754 /nfs/dbraw/zinc/83/47/54/1410834754.db2.gz BDXRCXNPGAGXCK-UHFFFAOYSA-N 2 0 384.524 3.400 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000103229200 1410838534 /nfs/dbraw/zinc/83/85/34/1410838534.db2.gz YNHVMPHWJGJXNM-GOSISDBHSA-N 2 0 387.524 3.332 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000103246716 1410840199 /nfs/dbraw/zinc/84/01/99/1410840199.db2.gz LNNIVBHAPHZZSI-NRFANRHFSA-N 2 0 398.551 3.498 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000103298450 1410843970 /nfs/dbraw/zinc/84/39/70/1410843970.db2.gz ADCXMDZYIUUXEK-UHFFFAOYSA-N 2 0 390.572 3.081 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103301028 1410844310 /nfs/dbraw/zinc/84/43/10/1410844310.db2.gz NKFHKHXIMJVGGR-OAQYLSRUSA-N 2 0 390.572 3.109 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103303277 1410844589 /nfs/dbraw/zinc/84/45/89/1410844589.db2.gz HKLUOCOMIJPNCC-UHFFFAOYSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000103303367 1410844632 /nfs/dbraw/zinc/84/46/32/1410844632.db2.gz BCMPZAUDNFKIBC-LJQANCHMSA-N 2 0 386.584 3.450 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCCC3CC[NH+](C)CC3)c2)CC1 ZINC000103314880 1410846684 /nfs/dbraw/zinc/84/66/84/1410846684.db2.gz NFVGYNRVCRIJBA-UHFFFAOYSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319205 1410847065 /nfs/dbraw/zinc/84/70/65/1410847065.db2.gz SOWQNRXOKUVBBB-OAQYLSRUSA-N 2 0 386.584 3.163 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000103510200 1410865244 /nfs/dbraw/zinc/86/52/44/1410865244.db2.gz VGEULNWNBJVVAJ-LJQANCHMSA-N 2 0 386.584 3.402 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000104040454 1410882744 /nfs/dbraw/zinc/88/27/44/1410882744.db2.gz PYKYVWDOZVVGSU-QFIPXVFZSA-N 2 0 380.536 3.245 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000104213902 1410887360 /nfs/dbraw/zinc/88/73/60/1410887360.db2.gz FSHFLJYJPIYKSK-LJQANCHMSA-N 2 0 385.474 3.145 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000104363069 1410893246 /nfs/dbraw/zinc/89/32/46/1410893246.db2.gz QDUHTIXUTKFESG-HXUWFJFHSA-N 2 0 386.540 3.314 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000104363072 1410893274 /nfs/dbraw/zinc/89/32/74/1410893274.db2.gz QDUHTIXUTKFESG-FQEVSTJZSA-N 2 0 386.540 3.314 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105077413 1411025005 /nfs/dbraw/zinc/02/50/05/1411025005.db2.gz YKUSACHRSITCQO-WOJBJXKFSA-N 2 0 388.556 3.467 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000105082388 1411026231 /nfs/dbraw/zinc/02/62/31/1411026231.db2.gz ZKEFAQHGMUHBSQ-LJQANCHMSA-N 2 0 380.964 3.364 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000105093669 1411027910 /nfs/dbraw/zinc/02/79/10/1411027910.db2.gz IMLOVXFULHAINH-HNNXBMFYSA-N 2 0 378.948 3.086 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000105113291 1411029601 /nfs/dbraw/zinc/02/96/01/1411029601.db2.gz RINKLGKQVMTAIE-UGKGYDQZSA-N 2 0 386.584 3.450 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105112549 1411030340 /nfs/dbraw/zinc/03/03/40/1411030340.db2.gz BQSNXTVQDJFQAP-HXUWFJFHSA-N 2 0 386.584 3.379 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000105161608 1411037079 /nfs/dbraw/zinc/03/70/79/1411037079.db2.gz GOYSCXLBTHKHCH-OAQYLSRUSA-N 2 0 390.547 3.210 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000105166102 1411037594 /nfs/dbraw/zinc/03/75/94/1411037594.db2.gz PDLPORDWBHJLRS-PMACEKPBSA-N 2 0 376.520 3.088 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCC1 ZINC000105209360 1411042051 /nfs/dbraw/zinc/04/20/51/1411042051.db2.gz VNJQLGRGZMYRIK-AZUAARDMSA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000105208202 1411042454 /nfs/dbraw/zinc/04/24/54/1411042454.db2.gz WEXVPRSSQZWECB-LJQANCHMSA-N 2 0 392.613 3.380 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105244880 1411046936 /nfs/dbraw/zinc/04/69/36/1411046936.db2.gz HBFIYVRBGDEPPN-DHIUTWEWSA-N 2 0 398.595 3.211 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000105273533 1411048570 /nfs/dbraw/zinc/04/85/70/1411048570.db2.gz QHGQBDUBOPDONS-IBGZPJMESA-N 2 0 378.536 3.019 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000105275687 1411049153 /nfs/dbraw/zinc/04/91/53/1411049153.db2.gz AYHNTBISZODVRZ-SFHVURJKSA-N 2 0 376.545 3.006 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000105439857 1411066374 /nfs/dbraw/zinc/06/63/74/1411066374.db2.gz MJKCPSVHGODELE-INIZCTEOSA-N 2 0 389.975 3.116 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000105440781 1411066471 /nfs/dbraw/zinc/06/64/71/1411066471.db2.gz YWLCGBYDODISHI-MRXNPFEDSA-N 2 0 398.389 3.211 20 0 GGADRP COc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000105439816 1411066659 /nfs/dbraw/zinc/06/66/59/1411066659.db2.gz ZZIUODRYSQVTKS-IBGZPJMESA-N 2 0 397.563 3.344 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000105441619 1411066809 /nfs/dbraw/zinc/06/68/09/1411066809.db2.gz RDNYLIKMCLCLRA-FQEVSTJZSA-N 2 0 382.552 3.024 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105451184 1411067186 /nfs/dbraw/zinc/06/71/86/1411067186.db2.gz VQKSLYSRZOMGNT-UHFFFAOYSA-N 2 0 382.552 3.024 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1OC ZINC000105442374 1411067288 /nfs/dbraw/zinc/06/72/88/1411067288.db2.gz LYKOTVKEIPNVMZ-MRXNPFEDSA-N 2 0 383.964 3.111 20 0 GGADRP CCOc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc(Cl)c1OC ZINC000105442351 1411067347 /nfs/dbraw/zinc/06/73/47/1411067347.db2.gz KDABWGCZPYWWKR-INIZCTEOSA-N 2 0 383.964 3.111 20 0 GGADRP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000105462984 1411068738 /nfs/dbraw/zinc/06/87/38/1411068738.db2.gz SLDJBXYPCZSEBR-INIZCTEOSA-N 2 0 384.499 3.387 20 0 GGADRP COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000105463073 1411069024 /nfs/dbraw/zinc/06/90/24/1411069024.db2.gz QUKIPUQGWJLISB-MRXNPFEDSA-N 2 0 387.499 3.446 20 0 GGADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000105466604 1411069734 /nfs/dbraw/zinc/06/97/34/1411069734.db2.gz ZTDOLPTZMQDXNZ-CQSZACIVSA-N 2 0 396.366 3.213 20 0 GGADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000105466840 1411069913 /nfs/dbraw/zinc/06/99/13/1411069913.db2.gz YQOVJWFZRNBAEQ-QGZVFWFLSA-N 2 0 389.975 3.176 20 0 GGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000105476736 1411070651 /nfs/dbraw/zinc/07/06/51/1411070651.db2.gz PLICETLFQZWWTK-UHFFFAOYSA-N 2 0 389.975 3.010 20 0 GGADRP COc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1OCc1ccccc1 ZINC000105476943 1411070723 /nfs/dbraw/zinc/07/07/23/1411070723.db2.gz QNJZRDRKVZZVMV-UHFFFAOYSA-N 2 0 397.563 3.391 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000105495584 1411071947 /nfs/dbraw/zinc/07/19/47/1411071947.db2.gz PLDZKJCKCYINCJ-UHFFFAOYSA-N 2 0 376.504 3.119 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccc(F)cc4)c3)cc2)CC1 ZINC000105495335 1411072153 /nfs/dbraw/zinc/07/21/53/1411072153.db2.gz VDPGLUWXFKVGOY-UHFFFAOYSA-N 2 0 394.494 3.258 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000106486417 1411223890 /nfs/dbraw/zinc/22/38/90/1411223890.db2.gz LFVHBVFWXGLPAC-INIZCTEOSA-N 2 0 383.964 3.253 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522617 1411231031 /nfs/dbraw/zinc/23/10/31/1411231031.db2.gz FMYQFWVALUGZSI-OAQYLSRUSA-N 2 0 384.568 3.489 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000106550362 1411243757 /nfs/dbraw/zinc/24/37/57/1411243757.db2.gz KDLARSPVZPCXHA-ZWKOTPCHSA-N 2 0 390.597 3.276 20 0 GGADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[NH+](C)C ZINC000106916256 1411319799 /nfs/dbraw/zinc/31/97/99/1411319799.db2.gz KUYWYHJJGNOCGM-OAQYLSRUSA-N 2 0 388.556 3.416 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000107385841 1411369426 /nfs/dbraw/zinc/36/94/26/1411369426.db2.gz XHTYRNGVOUIFFQ-UHFFFAOYSA-N 2 0 376.545 3.403 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000107698191 1411399686 /nfs/dbraw/zinc/39/96/86/1411399686.db2.gz SSCDYROUZAQROP-ZCNNSNEGSA-N 2 0 390.572 3.474 20 0 GGADRP CC[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000107834164 1411417300 /nfs/dbraw/zinc/41/73/00/1411417300.db2.gz KZQCUAKIOOWRTO-JOCHJYFZSA-N 2 0 386.584 3.435 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420999 1411495939 /nfs/dbraw/zinc/49/59/39/1411495939.db2.gz PBVNHUBPCJIIFU-NRFANRHFSA-N 2 0 381.520 3.072 20 0 GGADRP CC(C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420587 1411496461 /nfs/dbraw/zinc/49/64/61/1411496461.db2.gz ZPGLAGMPLJTUIB-QFIPXVFZSA-N 2 0 395.547 3.461 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000108576495 1411543565 /nfs/dbraw/zinc/54/35/65/1411543565.db2.gz IYRIAAJPWMNECR-GOSISDBHSA-N 2 0 392.975 3.193 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000108588758 1411545563 /nfs/dbraw/zinc/54/55/63/1411545563.db2.gz LOUBICYSCTYMIE-LJQANCHMSA-N 2 0 380.536 3.009 20 0 GGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000108710234 1411580410 /nfs/dbraw/zinc/58/04/10/1411580410.db2.gz WWQVSSHAQVAUHJ-HSZRJFAPSA-N 2 0 377.532 3.386 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000108815639 1411620500 /nfs/dbraw/zinc/62/05/00/1411620500.db2.gz VDWVQZYKVMACDS-PTUXOGIPSA-N 2 0 392.547 3.396 20 0 GGADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000177084294 1428582634 /nfs/dbraw/zinc/58/26/34/1428582634.db2.gz FSTVFAUSKFHKJT-JOCHJYFZSA-N 2 0 387.568 3.000 20 0 GGADRP COc1cccc([C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+](C)C)c1 ZINC000109107935 1411685401 /nfs/dbraw/zinc/68/54/01/1411685401.db2.gz QZSLYCQGYMGGBA-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000109443229 1411764792 /nfs/dbraw/zinc/76/47/92/1411764792.db2.gz JOPGUUUQTBVTSE-JQVVWYNYSA-N 2 0 387.568 3.177 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000109900342 1411817283 /nfs/dbraw/zinc/81/72/83/1411817283.db2.gz FRYBBSKZHZDDBG-HXUWFJFHSA-N 2 0 386.584 3.067 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000110745712 1411867735 /nfs/dbraw/zinc/86/77/35/1411867735.db2.gz HJNBLCQDLWLDOO-QHCPKHFHSA-N 2 0 394.563 3.008 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000111035681 1411883459 /nfs/dbraw/zinc/88/34/59/1411883459.db2.gz UGNBKAZTQZAAQY-FCHUYYIVSA-N 2 0 383.536 3.497 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000111035685 1411883512 /nfs/dbraw/zinc/88/35/12/1411883512.db2.gz UGNBKAZTQZAAQY-FGZHOGPDSA-N 2 0 383.536 3.497 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1)C1CC1 ZINC000111101266 1411887206 /nfs/dbraw/zinc/88/72/06/1411887206.db2.gz BBOAKDSGLKJJMR-UHFFFAOYSA-N 2 0 399.579 3.436 20 0 GGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000111386696 1411938539 /nfs/dbraw/zinc/93/85/39/1411938539.db2.gz KONIHAWTEJJORD-SFHVURJKSA-N 2 0 392.494 3.094 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000111385210 1411939261 /nfs/dbraw/zinc/93/92/61/1411939261.db2.gz JUUHMSDIDQQZEN-OAQYLSRUSA-N 2 0 381.564 3.424 20 0 GGADRP C[C@H](C[NH2+]Cc1cccc(OCCCc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000111384107 1411939487 /nfs/dbraw/zinc/93/94/87/1411939487.db2.gz GMVMLFHTHFTBRH-OAQYLSRUSA-N 2 0 381.564 3.424 20 0 GGADRP CC1(C)CC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000111548022 1411990001 /nfs/dbraw/zinc/99/00/01/1411990001.db2.gz NJDXEQQMNXGYNT-UHFFFAOYSA-N 2 0 386.584 3.014 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC000111799702 1412030887 /nfs/dbraw/zinc/03/08/87/1412030887.db2.gz MJLHDGZBVJSWMX-HXUWFJFHSA-N 2 0 388.556 3.004 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000111807950 1412031960 /nfs/dbraw/zinc/03/19/60/1412031960.db2.gz SHTSMNHULQKQFL-UHFFFAOYSA-N 2 0 392.975 3.476 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112217165 1412094808 /nfs/dbraw/zinc/09/48/08/1412094808.db2.gz CHYKXEWHYNLGKS-UHFFFAOYSA-N 2 0 396.645 3.111 20 0 GGADRP C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000112545875 1412166818 /nfs/dbraw/zinc/16/68/18/1412166818.db2.gz MOFNDJJVNAJHTB-CVDCTZTESA-N 2 0 379.548 3.495 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000112709609 1412200915 /nfs/dbraw/zinc/20/09/15/1412200915.db2.gz VUZQHWLWNILJMI-MRXNPFEDSA-N 2 0 375.891 3.303 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000112741340 1412207749 /nfs/dbraw/zinc/20/77/49/1412207749.db2.gz DPJHCVPISAZITO-UHFFFAOYSA-N 2 0 378.948 3.042 20 0 GGADRP CN1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000177211056 1428634871 /nfs/dbraw/zinc/63/48/71/1428634871.db2.gz GUCAXNONRMILFI-UHFFFAOYSA-N 2 0 398.517 3.291 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220869 1428638170 /nfs/dbraw/zinc/63/81/70/1428638170.db2.gz BVKDLZYQGIUFLO-OTWHNJEPSA-N 2 0 395.613 3.346 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220469 1428638371 /nfs/dbraw/zinc/63/83/71/1428638371.db2.gz SMJGFSLGEUNPIG-MSOLQXFVSA-N 2 0 381.586 3.242 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000113336097 1412294459 /nfs/dbraw/zinc/29/44/59/1412294459.db2.gz VHTWCVXHSGSHQO-UHFFFAOYSA-N 2 0 388.581 3.085 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000113445749 1412306885 /nfs/dbraw/zinc/30/68/85/1412306885.db2.gz PVMKMVGPPNATOI-YRPNKDGESA-N 2 0 387.568 3.264 20 0 GGADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000113599505 1412319870 /nfs/dbraw/zinc/31/98/70/1412319870.db2.gz XTPLGMQUFYATJC-FQEVSTJZSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000113605597 1412321363 /nfs/dbraw/zinc/32/13/63/1412321363.db2.gz IKLDHCIMSLPCRE-FQEVSTJZSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113616498 1412321931 /nfs/dbraw/zinc/32/19/31/1412321931.db2.gz AIRRYDQIEJJXQR-OAQYLSRUSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000114172471 1412387018 /nfs/dbraw/zinc/38/70/18/1412387018.db2.gz ZVIAFPWKVDGQCL-UHFFFAOYSA-N 2 0 392.503 3.284 20 0 GGADRP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114583495 1412467625 /nfs/dbraw/zinc/46/76/25/1412467625.db2.gz CMBXNMOSFSMAHX-SFHVURJKSA-N 2 0 398.473 3.063 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604245 1412473041 /nfs/dbraw/zinc/47/30/41/1412473041.db2.gz OVGXEYNVCIXSAP-SFHVURJKSA-N 2 0 398.473 3.017 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604130 1412473517 /nfs/dbraw/zinc/47/35/17/1412473517.db2.gz WPLNQHBZOHTOFG-ROUUACIJSA-N 2 0 398.473 3.015 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000114748017 1412517832 /nfs/dbraw/zinc/51/78/32/1412517832.db2.gz QKEZPMPJQIIJOT-CRAIPNDOSA-N 2 0 383.458 3.314 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000114748004 1412517879 /nfs/dbraw/zinc/51/78/79/1412517879.db2.gz OAWZEENNSAPBMA-CRAIPNDOSA-N 2 0 383.458 3.171 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000114802186 1412528475 /nfs/dbraw/zinc/52/84/75/1412528475.db2.gz VDHWABQALMYVRV-HNNXBMFYSA-N 2 0 383.939 3.490 20 0 GGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000115789736 1412789234 /nfs/dbraw/zinc/78/92/34/1412789234.db2.gz MPCSFYSVEUNJAH-GOSISDBHSA-N 2 0 392.975 3.288 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115794844 1412790614 /nfs/dbraw/zinc/79/06/14/1412790614.db2.gz ATDDZMBDHKZETF-FQEVSTJZSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177299144 1428677271 /nfs/dbraw/zinc/67/72/71/1428677271.db2.gz CQHUNFAEQWMAFF-IBGZPJMESA-N 2 0 386.540 3.085 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2CC1 ZINC000116299224 1412848075 /nfs/dbraw/zinc/84/80/75/1412848075.db2.gz RLKOXORIAMXZPV-FQEVSTJZSA-N 2 0 391.559 3.257 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2OCC(=O)N(C)C)CC1 ZINC000116368232 1412852921 /nfs/dbraw/zinc/85/29/21/1412852921.db2.gz WGMCEUGDJBLUBP-LJQANCHMSA-N 2 0 395.547 3.469 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116395723 1412854571 /nfs/dbraw/zinc/85/45/71/1412854571.db2.gz ZQVVQELBAKALIT-OAQYLSRUSA-N 2 0 398.526 3.023 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116395725 1412854764 /nfs/dbraw/zinc/85/47/64/1412854764.db2.gz ZQVVQELBAKALIT-NRFANRHFSA-N 2 0 398.526 3.023 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000116434719 1412859591 /nfs/dbraw/zinc/85/95/91/1412859591.db2.gz UASBDUHLMVWRQS-NRFANRHFSA-N 2 0 383.536 3.390 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000116560975 1412877288 /nfs/dbraw/zinc/87/72/88/1412877288.db2.gz QQTJZWSIUFCPDJ-UGKGYDQZSA-N 2 0 384.568 3.482 20 0 GGADRP C[NH+](C)CC[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C(C)(C)C ZINC000116566858 1412878651 /nfs/dbraw/zinc/87/86/51/1412878651.db2.gz DKFRQNXFKLKNJV-LJQANCHMSA-N 2 0 378.561 3.252 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000177343150 1428700134 /nfs/dbraw/zinc/70/01/34/1428700134.db2.gz NWMSURNWAOBDQT-IEBWSBKVSA-N 2 0 383.577 3.113 20 0 GGADRP CC(C)[NH+](CCNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177345149 1428700618 /nfs/dbraw/zinc/70/06/18/1428700618.db2.gz IPARYFNDUJLLGC-PMACEKPBSA-N 2 0 396.620 3.026 20 0 GGADRP C[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCCC1 ZINC000118017400 1413096279 /nfs/dbraw/zinc/09/62/79/1413096279.db2.gz LBDVUJUCYLYZIL-UHFFFAOYSA-N 2 0 390.597 3.274 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177373654 1428709448 /nfs/dbraw/zinc/70/94/48/1428709448.db2.gz VKXGAKKBBGHQCU-UHFFFAOYSA-N 2 0 399.583 3.142 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000118756775 1413215590 /nfs/dbraw/zinc/21/55/90/1413215590.db2.gz UUXGUUUVLYMEAZ-GOSISDBHSA-N 2 0 391.581 3.036 20 0 GGADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000118814008 1413230491 /nfs/dbraw/zinc/23/04/91/1413230491.db2.gz NZXGCVBRZNXYTJ-LJQANCHMSA-N 2 0 390.597 3.083 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000118834608 1413237372 /nfs/dbraw/zinc/23/73/72/1413237372.db2.gz SZNHEDHGOCUZFG-INIZCTEOSA-N 2 0 399.366 3.034 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000118834678 1413237607 /nfs/dbraw/zinc/23/76/07/1413237607.db2.gz GCFVUENMYRPQIA-OAQYLSRUSA-N 2 0 389.547 3.213 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000118834648 1413237681 /nfs/dbraw/zinc/23/76/81/1413237681.db2.gz XQMVFDPQOXZDMG-QHCPKHFHSA-N 2 0 392.547 3.151 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000118957899 1413275195 /nfs/dbraw/zinc/27/51/95/1413275195.db2.gz UTKGLNUPHDSTFQ-RBUKOAKNSA-N 2 0 392.613 3.237 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000118980074 1413287465 /nfs/dbraw/zinc/28/74/65/1413287465.db2.gz LVZRJOMGYZLEOK-GUDVDZBRSA-N 2 0 383.577 3.113 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000119190878 1413370707 /nfs/dbraw/zinc/37/07/07/1413370707.db2.gz LQPLMDLISNSCBR-YRISNDGFSA-N 2 0 388.556 3.003 20 0 GGADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)CN1CC[NH+](C)CC1 ZINC000119226742 1413381724 /nfs/dbraw/zinc/38/17/24/1413381724.db2.gz WKHJCFIWHKBIEC-IBGZPJMESA-N 2 0 385.527 3.378 20 0 GGADRP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C[NH+](C)C ZINC000119424145 1413442879 /nfs/dbraw/zinc/44/28/79/1413442879.db2.gz KJQIWPJSARIZHE-DLBZAZTESA-N 2 0 380.602 3.236 20 0 GGADRP c1nnc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)n1-c1ccccc1 ZINC000119454809 1413452323 /nfs/dbraw/zinc/45/23/23/1413452323.db2.gz OYCLYBYRQWOBGM-UHFFFAOYSA-N 2 0 377.492 3.032 20 0 GGADRP Cc1cc(CN2CCN(CC[NH+]3CCCC3)CC2)ccc1Oc1cccnc1 ZINC000119529328 1413476703 /nfs/dbraw/zinc/47/67/03/1413476703.db2.gz NHHDGYNWEGALHK-UHFFFAOYSA-N 2 0 380.536 3.396 20 0 GGADRP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c(OCCC)c1 ZINC000119581915 1413492619 /nfs/dbraw/zinc/49/26/19/1413492619.db2.gz LMHAMGLPZOYAIQ-NRFANRHFSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)nc3-c3cc4ccccc4o3)C2)CC1 ZINC000119608553 1413502143 /nfs/dbraw/zinc/50/21/43/1413502143.db2.gz ACIQMCTYMDYFHF-FQEVSTJZSA-N 2 0 393.535 3.045 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000119697004 1413536356 /nfs/dbraw/zinc/53/63/56/1413536356.db2.gz YZHDRIOMEIWCEZ-QFIPXVFZSA-N 2 0 398.526 3.392 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000119746863 1413553119 /nfs/dbraw/zinc/55/31/19/1413553119.db2.gz UDKGKQGPASJYAW-UHFFFAOYSA-N 2 0 376.884 3.341 20 0 GGADRP [NH3+][C@H](CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000119763209 1413559520 /nfs/dbraw/zinc/55/95/20/1413559520.db2.gz UQEXSMUHBHZADA-HSZRJFAPSA-N 2 0 395.547 3.264 20 0 GGADRP CCOc1ccc(C(F)(F)F)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000119972981 1413638106 /nfs/dbraw/zinc/63/81/06/1413638106.db2.gz JAKNKCUHDJFCPT-UHFFFAOYSA-N 2 0 390.450 3.061 20 0 GGADRP CN(Cc1ccccc1)c1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120017639 1413655031 /nfs/dbraw/zinc/65/50/31/1413655031.db2.gz IXMZRQAKUDIDQH-UHFFFAOYSA-N 2 0 397.567 3.280 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000120099402 1413687477 /nfs/dbraw/zinc/68/74/77/1413687477.db2.gz BLEYKVJIVIBVJJ-PSWRPDDJSA-N 2 0 384.568 3.023 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000120176034 1413718560 /nfs/dbraw/zinc/71/85/60/1413718560.db2.gz XCEIOMYZOLZREX-GOSISDBHSA-N 2 0 396.576 3.278 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000120206948 1413730825 /nfs/dbraw/zinc/73/08/25/1413730825.db2.gz UFDPJZSHWHZBLK-UHFFFAOYSA-N 2 0 393.616 3.430 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OCC(F)F ZINC000120236926 1413745054 /nfs/dbraw/zinc/74/50/54/1413745054.db2.gz FTMROZCVKXRNBN-INIZCTEOSA-N 2 0 398.498 3.210 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000120251708 1413752552 /nfs/dbraw/zinc/75/25/52/1413752552.db2.gz RJTJHQPEVRNSID-UHFFFAOYSA-N 2 0 390.597 3.225 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)NCC(F)(F)F ZINC000120318130 1413783577 /nfs/dbraw/zinc/78/35/77/1413783577.db2.gz OHYGJWHRKISWQB-OAGGEKHMSA-N 2 0 385.474 3.321 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000120331895 1413789854 /nfs/dbraw/zinc/78/98/54/1413789854.db2.gz VGBYJVDRAUSODS-UHFFFAOYSA-N 2 0 396.535 3.246 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000120413167 1413812471 /nfs/dbraw/zinc/81/24/71/1413812471.db2.gz WVKZTJXJFGKJTL-ZHHKINOHSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[N@@H+]1C1CC1 ZINC000120416697 1413813033 /nfs/dbraw/zinc/81/30/33/1413813033.db2.gz RLRFSHKJOPMZBW-WSTZPKSXSA-N 2 0 376.589 3.298 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000120496935 1413830539 /nfs/dbraw/zinc/83/05/39/1413830539.db2.gz BDVMCBBBZWWNRQ-KRWDZBQOSA-N 2 0 397.519 3.416 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000120498571 1413831189 /nfs/dbraw/zinc/83/11/89/1413831189.db2.gz QYBGMWGKQHTLRN-SIKLNZKXSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000120625703 1413858758 /nfs/dbraw/zinc/85/87/58/1413858758.db2.gz WJVULYCIXDEHGP-YKSBVNFPSA-N 2 0 397.563 3.351 20 0 GGADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120648765 1413865268 /nfs/dbraw/zinc/86/52/68/1413865268.db2.gz OHVFHYPXGBZEHD-VXKWHMMOSA-N 2 0 398.547 3.381 20 0 GGADRP CCc1noc(C2CCC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000120654243 1413866798 /nfs/dbraw/zinc/86/67/98/1413866798.db2.gz IHTNAGSECLXRHK-RRWXTXHCSA-N 2 0 384.524 3.015 20 0 GGADRP CCc1noc(C2CCC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000120654069 1413866905 /nfs/dbraw/zinc/86/69/05/1413866905.db2.gz IHTNAGSECLXRHK-GQOXECLESA-N 2 0 384.524 3.015 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120713331 1413882756 /nfs/dbraw/zinc/88/27/56/1413882756.db2.gz UWDGZCNGHXXLQF-AVRDEDQJSA-N 2 0 380.536 3.210 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000120761254 1413895697 /nfs/dbraw/zinc/89/56/97/1413895697.db2.gz OZHAPFGOMKXHHG-KRWDZBQOSA-N 2 0 384.524 3.306 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000177487939 1428764260 /nfs/dbraw/zinc/76/42/60/1428764260.db2.gz OAXCMKBXDGOBTG-JQVVWYNYSA-N 2 0 387.568 3.027 20 0 GGADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000120792679 1413904628 /nfs/dbraw/zinc/90/46/28/1413904628.db2.gz PFVNJYYGSQTSHH-FQEVSTJZSA-N 2 0 375.520 3.425 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000120805794 1413908527 /nfs/dbraw/zinc/90/85/27/1413908527.db2.gz UXNKGGULTDLDCP-ICSRJNTNSA-N 2 0 383.584 3.332 20 0 GGADRP COc1cccc(C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000120849567 1413925684 /nfs/dbraw/zinc/92/56/84/1413925684.db2.gz VNRFCJULYYHRDE-RDPSFJRHSA-N 2 0 381.564 3.452 20 0 GGADRP COc1cccc(C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000120849906 1413925783 /nfs/dbraw/zinc/92/57/83/1413925783.db2.gz VNRFCJULYYHRDE-GBXCKJPGSA-N 2 0 381.564 3.452 20 0 GGADRP COc1cccc(C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000120849731 1413925875 /nfs/dbraw/zinc/92/58/75/1413925875.db2.gz VNRFCJULYYHRDE-YKSBVNFPSA-N 2 0 381.564 3.452 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)C[C@@H](C)O1 ZINC000177491212 1428766318 /nfs/dbraw/zinc/76/63/18/1428766318.db2.gz LZLRXCRFPUYNDB-RTBURBONSA-N 2 0 391.600 3.131 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000177496006 1428769477 /nfs/dbraw/zinc/76/94/77/1428769477.db2.gz JPDFNFFBYADZPG-ROUUACIJSA-N 2 0 391.531 3.366 20 0 GGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177497949 1428770007 /nfs/dbraw/zinc/77/00/07/1428770007.db2.gz AKRZHCFVLVWNIY-RTBURBONSA-N 2 0 388.552 3.479 20 0 GGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177497933 1428770062 /nfs/dbraw/zinc/77/00/62/1428770062.db2.gz AKRZHCFVLVWNIY-OALUTQOASA-N 2 0 388.552 3.479 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)C[C@@H](C)O1 ZINC000177497396 1428770170 /nfs/dbraw/zinc/77/01/70/1428770170.db2.gz NRAGOJFVTOYNFS-IAGOWNOFSA-N 2 0 392.515 3.404 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000177501121 1428771534 /nfs/dbraw/zinc/77/15/34/1428771534.db2.gz VYBMLSJZKHIJOX-ROUUACIJSA-N 2 0 383.536 3.239 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109672 1414010955 /nfs/dbraw/zinc/01/09/55/1414010955.db2.gz CGBZBNXGCONCCI-IAGOWNOFSA-N 2 0 377.529 3.133 20 0 GGADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121114761 1414012836 /nfs/dbraw/zinc/01/28/36/1414012836.db2.gz XBTFFRHKRCYVEE-SFHVURJKSA-N 2 0 389.565 3.110 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000177508496 1428775425 /nfs/dbraw/zinc/77/54/25/1428775425.db2.gz DRCNFVWLRQHSQA-HDICACEKSA-N 2 0 391.531 3.366 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177519099 1428779893 /nfs/dbraw/zinc/77/98/93/1428779893.db2.gz VYCWRRGVHBOPPD-GOSISDBHSA-N 2 0 376.545 3.213 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177519153 1428780089 /nfs/dbraw/zinc/78/00/89/1428780089.db2.gz HBWCECUFQMMVLR-LJQANCHMSA-N 2 0 388.556 3.357 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000121397872 1414107570 /nfs/dbraw/zinc/10/75/70/1414107570.db2.gz VQOZUNBAONVOHC-DNVCBOLYSA-N 2 0 385.474 3.436 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000121398211 1414107708 /nfs/dbraw/zinc/10/77/08/1414107708.db2.gz VQOZUNBAONVOHC-BEFAXECRSA-N 2 0 385.474 3.436 20 0 GGADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000121415778 1414114536 /nfs/dbraw/zinc/11/45/36/1414114536.db2.gz PJYIWEXKMVCZRC-QGZVFWFLSA-N 2 0 390.959 3.088 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000121704161 1414230343 /nfs/dbraw/zinc/23/03/43/1414230343.db2.gz OOZUXNJCHONJRC-OAQYLSRUSA-N 2 0 385.552 3.214 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000121815462 1414266151 /nfs/dbraw/zinc/26/61/51/1414266151.db2.gz SQBVQCVDOZFXLY-ROUUACIJSA-N 2 0 381.586 3.100 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000121815291 1414266429 /nfs/dbraw/zinc/26/64/29/1414266429.db2.gz SQBVQCVDOZFXLY-ZWKOTPCHSA-N 2 0 381.586 3.100 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cn2)CC1 ZINC000121846596 1414277184 /nfs/dbraw/zinc/27/71/84/1414277184.db2.gz ZZKXZXHHRDGIQF-JOCHJYFZSA-N 2 0 392.547 3.326 20 0 GGADRP O=c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2ccc(Cl)cn12 ZINC000121890389 1414292853 /nfs/dbraw/zinc/29/28/53/1414292853.db2.gz GBCZIEYZMOHMKU-UHFFFAOYSA-N 2 0 388.943 3.436 20 0 GGADRP Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177565594 1428796055 /nfs/dbraw/zinc/79/60/55/1428796055.db2.gz LESVHDRZXRYYIV-UHFFFAOYSA-N 2 0 394.563 3.045 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)ccn2)CC1 ZINC000121936182 1414314196 /nfs/dbraw/zinc/31/41/96/1414314196.db2.gz MSCAEFKNGGKAPY-JOCHJYFZSA-N 2 0 392.547 3.326 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000122050049 1414349444 /nfs/dbraw/zinc/34/94/44/1414349444.db2.gz ANYAEELMUIOVFK-OALUTQOASA-N 2 0 391.625 3.334 20 0 GGADRP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122074211 1414355810 /nfs/dbraw/zinc/35/58/10/1414355810.db2.gz UPASBKCHRQWBJO-GOSISDBHSA-N 2 0 377.598 3.383 20 0 GGADRP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122073966 1414355904 /nfs/dbraw/zinc/35/59/04/1414355904.db2.gz UPASBKCHRQWBJO-SFHVURJKSA-N 2 0 377.598 3.383 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000122137092 1414370803 /nfs/dbraw/zinc/37/08/03/1414370803.db2.gz YOSXAWRMQBNZMU-IBGZPJMESA-N 2 0 375.557 3.392 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000177586691 1428803856 /nfs/dbraw/zinc/80/38/56/1428803856.db2.gz APMJHHSDJHUARF-OAQYLSRUSA-N 2 0 381.564 3.473 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000177586707 1428804143 /nfs/dbraw/zinc/80/41/43/1428804143.db2.gz APMJHHSDJHUARF-NRFANRHFSA-N 2 0 381.564 3.473 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177606429 1428808940 /nfs/dbraw/zinc/80/89/40/1428808940.db2.gz RRRWAPLEFUODPQ-GOSISDBHSA-N 2 0 395.613 3.346 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122946966 1414603057 /nfs/dbraw/zinc/60/30/57/1414603057.db2.gz YREOOHKUAJEKTM-JOCHJYFZSA-N 2 0 395.547 3.155 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000122954547 1414604622 /nfs/dbraw/zinc/60/46/22/1414604622.db2.gz LJKDNXMNIAFQAD-INIZCTEOSA-N 2 0 385.508 3.272 20 0 GGADRP CC[NH2+]Cc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000123077929 1414635087 /nfs/dbraw/zinc/63/50/87/1414635087.db2.gz WIAKXJNHWKHVEL-UHFFFAOYSA-N 2 0 380.536 3.337 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)CC3 ZINC000123178865 1414661324 /nfs/dbraw/zinc/66/13/24/1414661324.db2.gz KYVGJSWTOBVTKI-SFHVURJKSA-N 2 0 396.579 3.182 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123221672 1414671665 /nfs/dbraw/zinc/67/16/65/1414671665.db2.gz NDJSFLFGVAWITK-UHFFFAOYSA-N 2 0 397.611 3.346 20 0 GGADRP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123221969 1414672238 /nfs/dbraw/zinc/67/22/38/1414672238.db2.gz KNRWPWGGSXXEIY-MRXNPFEDSA-N 2 0 381.511 3.066 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000123247751 1414677863 /nfs/dbraw/zinc/67/78/63/1414677863.db2.gz VTTZXMFTLRVZBQ-UHFFFAOYSA-N 2 0 386.565 3.463 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123267771 1414682892 /nfs/dbraw/zinc/68/28/92/1414682892.db2.gz PZKHCTYBWFVVRK-UHFFFAOYSA-N 2 0 392.613 3.231 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC3 ZINC000123274694 1414684995 /nfs/dbraw/zinc/68/49/95/1414684995.db2.gz NJRXWDIFKVXFPF-SJLPKXTDSA-N 2 0 383.536 3.124 20 0 GGADRP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000123295294 1414690705 /nfs/dbraw/zinc/69/07/05/1414690705.db2.gz QWABHYPTDUBINT-FQEVSTJZSA-N 2 0 394.563 3.013 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000123331533 1414698399 /nfs/dbraw/zinc/69/83/99/1414698399.db2.gz KDMJOBYCPCHVCS-UHFFFAOYSA-N 2 0 390.531 3.368 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000123344289 1414701831 /nfs/dbraw/zinc/70/18/31/1414701831.db2.gz PUYJVHCQJFBHSR-ZJRDLVKKSA-N 2 0 387.572 3.027 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000123349461 1414703118 /nfs/dbraw/zinc/70/31/18/1414703118.db2.gz ZHMXOXPITRXBSA-IFMALSPDSA-N 2 0 384.568 3.167 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000123393606 1414714158 /nfs/dbraw/zinc/71/41/58/1414714158.db2.gz IYZHQYDHJZEEMV-WIYYLYMNSA-N 2 0 376.589 3.299 20 0 GGADRP COc1ccc(NC(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)c(OC)c1 ZINC000123408108 1414720880 /nfs/dbraw/zinc/72/08/80/1414720880.db2.gz RADYTCSQBWWMRB-MRXNPFEDSA-N 2 0 377.529 3.085 20 0 GGADRP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123427426 1414727323 /nfs/dbraw/zinc/72/73/23/1414727323.db2.gz ZFSKEGNLLHHSML-QGZVFWFLSA-N 2 0 393.547 3.235 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC3 ZINC000123468098 1414742721 /nfs/dbraw/zinc/74/27/21/1414742721.db2.gz LSADQUYLNCHVMR-VWMXVWASSA-N 2 0 397.563 3.391 20 0 GGADRP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123476201 1414745929 /nfs/dbraw/zinc/74/59/29/1414745929.db2.gz UISNNDDVBBIOJE-SFHVURJKSA-N 2 0 388.556 3.394 20 0 GGADRP C[C@H]1C[NH+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000123481666 1414747940 /nfs/dbraw/zinc/74/79/40/1414747940.db2.gz IMZDMBMRHKSNAM-IRXDYDNUSA-N 2 0 387.524 3.114 20 0 GGADRP COc1ccc2oc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)cc2c1 ZINC000123513219 1414758023 /nfs/dbraw/zinc/75/80/23/1414758023.db2.gz GTRLPFCFOUZWAC-UHFFFAOYSA-N 2 0 379.504 3.479 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123633661 1414801366 /nfs/dbraw/zinc/80/13/66/1414801366.db2.gz FOSXUHVDPRLLHJ-KRWDZBQOSA-N 2 0 387.549 3.139 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000123701021 1414812019 /nfs/dbraw/zinc/81/20/19/1414812019.db2.gz CGSMBMJRAQUBEQ-INIZCTEOSA-N 2 0 394.475 3.396 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123740731 1414818350 /nfs/dbraw/zinc/81/83/50/1414818350.db2.gz IXKRDIQKOGWCSO-YMPZKCBVSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123753471 1414820533 /nfs/dbraw/zinc/82/05/33/1414820533.db2.gz HIJZLTOSYBPHSH-NQIIRXRSSA-N 2 0 387.568 3.459 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000123847648 1414833717 /nfs/dbraw/zinc/83/37/17/1414833717.db2.gz QIAZZEOLJXRKSN-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123853162 1414835681 /nfs/dbraw/zinc/83/56/81/1414835681.db2.gz QRTLNGBUGBUHCA-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000123861202 1414837365 /nfs/dbraw/zinc/83/73/65/1414837365.db2.gz HOQITGPRHOELJP-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000123867693 1414838906 /nfs/dbraw/zinc/83/89/06/1414838906.db2.gz HUDSKEZNYGAGRB-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000123869730 1414839620 /nfs/dbraw/zinc/83/96/20/1414839620.db2.gz OIUUSLXQFVBHPO-UHFFFAOYSA-N 2 0 395.425 3.166 20 0 GGADRP C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000123947670 1414855398 /nfs/dbraw/zinc/85/53/98/1414855398.db2.gz IECCMWUWXQFGSU-XLIONFOSSA-N 2 0 381.520 3.363 20 0 GGADRP C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000123948118 1414855593 /nfs/dbraw/zinc/85/55/93/1414855593.db2.gz IECCMWUWXQFGSU-YLJYHZDGSA-N 2 0 381.520 3.363 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000124180556 1414901728 /nfs/dbraw/zinc/90/17/28/1414901728.db2.gz RWCUJGDPGNZQIP-HXUWFJFHSA-N 2 0 389.609 3.333 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177749853 1428849367 /nfs/dbraw/zinc/84/93/67/1428849367.db2.gz JWWCRKAAXZSSJL-HDICACEKSA-N 2 0 383.577 3.113 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000177749887 1428849520 /nfs/dbraw/zinc/84/95/20/1428849520.db2.gz JWWCRKAAXZSSJL-QZTJIDSGSA-N 2 0 383.577 3.113 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000124462739 1414974466 /nfs/dbraw/zinc/97/44/66/1414974466.db2.gz LBNBNHLTYYLGCG-UHFFFAOYSA-N 2 0 393.019 3.168 20 0 GGADRP COC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000124468899 1414975343 /nfs/dbraw/zinc/97/53/43/1414975343.db2.gz PEQNFYUKDYXZMQ-IBGZPJMESA-N 2 0 387.490 3.256 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000124583745 1414999130 /nfs/dbraw/zinc/99/91/30/1414999130.db2.gz ZDABWGHOQPJSPR-IRXDYDNUSA-N 2 0 399.501 3.412 20 0 GGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000177772996 1428855156 /nfs/dbraw/zinc/85/51/56/1428855156.db2.gz YNWLKNIOMMSZBN-UXHICEINSA-N 2 0 396.620 3.172 20 0 GGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000177773018 1428855184 /nfs/dbraw/zinc/85/51/84/1428855184.db2.gz YNWLKNIOMMSZBN-WOJBJXKFSA-N 2 0 396.620 3.172 20 0 GGADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124643961 1415012049 /nfs/dbraw/zinc/01/20/49/1415012049.db2.gz OLUQCBHVTJUUDP-IPMKNSEASA-N 2 0 375.557 3.032 20 0 GGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124643350 1415012263 /nfs/dbraw/zinc/01/22/63/1415012263.db2.gz OLUQCBHVTJUUDP-QRVBRYPASA-N 2 0 375.557 3.032 20 0 GGADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000124728805 1415031290 /nfs/dbraw/zinc/03/12/90/1415031290.db2.gz ZXUSZQAVZATFEX-SXLOBPIMSA-N 2 0 375.557 3.361 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000124912305 1415071241 /nfs/dbraw/zinc/07/12/41/1415071241.db2.gz GPTRVFFGKZYZNI-TZIWHRDSSA-N 2 0 376.589 3.157 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000124912783 1415071319 /nfs/dbraw/zinc/07/13/19/1415071319.db2.gz GPTRVFFGKZYZNI-FPOVZHCZSA-N 2 0 376.589 3.157 20 0 GGADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000125135331 1415116251 /nfs/dbraw/zinc/11/62/51/1415116251.db2.gz XKPJZPFBYARFHN-UHFFFAOYSA-N 2 0 384.568 3.023 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000177814452 1428863498 /nfs/dbraw/zinc/86/34/98/1428863498.db2.gz PYDUUYOODUJBEA-UHFFFAOYSA-N 2 0 393.597 3.001 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125323504 1415164273 /nfs/dbraw/zinc/16/42/73/1415164273.db2.gz SSEZZRZORWMSLZ-QGZVFWFLSA-N 2 0 381.586 3.100 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000177849137 1428872205 /nfs/dbraw/zinc/87/22/05/1428872205.db2.gz PXCKYPJOVIDHLP-JOCHJYFZSA-N 2 0 386.584 3.402 20 0 GGADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000125442849 1415199915 /nfs/dbraw/zinc/19/99/15/1415199915.db2.gz AKMCSSIYVJFGML-GOSISDBHSA-N 2 0 393.597 3.244 20 0 GGADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCSC1 ZINC000125669202 1415250286 /nfs/dbraw/zinc/25/02/86/1415250286.db2.gz ZSYMGKXSBJSUSX-FQEVSTJZSA-N 2 0 375.582 3.116 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125720831 1415262430 /nfs/dbraw/zinc/26/24/30/1415262430.db2.gz QTQHQPWZCKRKPU-DLBZAZTESA-N 2 0 377.529 3.131 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000125825663 1415291339 /nfs/dbraw/zinc/29/13/39/1415291339.db2.gz SONWMSKGZYGZAC-UXHICEINSA-N 2 0 390.572 3.392 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000125899220 1415307798 /nfs/dbraw/zinc/30/77/98/1415307798.db2.gz UOSSQZQFSRQJSR-KSZLIROESA-N 2 0 391.556 3.379 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000125924223 1415314232 /nfs/dbraw/zinc/31/42/32/1415314232.db2.gz AVTWQJBQXNQMQW-QFIPXVFZSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Br)cc3F)CC2)CC1 ZINC000126033868 1415341182 /nfs/dbraw/zinc/34/11/82/1415341182.db2.gz KSLOGFILGBUSFE-UHFFFAOYSA-N 2 0 384.337 3.236 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)ccn2)CC1 ZINC000126049520 1415344890 /nfs/dbraw/zinc/34/48/90/1415344890.db2.gz LIZYAJGIJAAWAV-UHFFFAOYSA-N 2 0 380.414 3.022 20 0 GGADRP COc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1OC(C)C ZINC000126053135 1415345474 /nfs/dbraw/zinc/34/54/74/1415345474.db2.gz UNRMVKYYDOKQFL-UHFFFAOYSA-N 2 0 375.557 3.131 20 0 GGADRP O=C(COc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1)NC1CC1 ZINC000126131146 1415366404 /nfs/dbraw/zinc/36/64/04/1415366404.db2.gz JLCFBRRFUJMMQU-UHFFFAOYSA-N 2 0 399.579 3.273 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000126298032 1415409998 /nfs/dbraw/zinc/40/99/98/1415409998.db2.gz WNHDXTHOJPVEIC-SFHVURJKSA-N 2 0 390.572 3.137 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000126310162 1415414386 /nfs/dbraw/zinc/41/43/86/1415414386.db2.gz JWLKWXAHWOGMDO-QFIPXVFZSA-N 2 0 398.551 3.498 20 0 GGADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126364098 1415427602 /nfs/dbraw/zinc/42/76/02/1415427602.db2.gz YRFRQJWOGFXKHR-UZLBHIALSA-N 2 0 390.959 3.260 20 0 GGADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000178006547 1428930738 /nfs/dbraw/zinc/93/07/38/1428930738.db2.gz RTLXVNSDDXTEEC-LIRRHRJNSA-N 2 0 386.565 3.308 20 0 GGADRP COc1ccc2oc(C[NH2+]CC3CC[NH+](CC(=O)NC(C)(C)C)CC3)cc2c1 ZINC000126418085 1415446400 /nfs/dbraw/zinc/44/64/00/1415446400.db2.gz XFVFDFMHWABARW-UHFFFAOYSA-N 2 0 387.524 3.158 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126679384 1415524467 /nfs/dbraw/zinc/52/44/67/1415524467.db2.gz KCBSBUSRYJRTBA-QFIPXVFZSA-N 2 0 395.547 3.446 20 0 GGADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CCCO2 ZINC000126692522 1415527884 /nfs/dbraw/zinc/52/78/84/1415527884.db2.gz LMYSXKKUEJJISW-JOCHJYFZSA-N 2 0 389.584 3.003 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000126713592 1415536028 /nfs/dbraw/zinc/53/60/28/1415536028.db2.gz SFSYULYRQDDOOU-CLYVBNDRSA-N 2 0 385.577 3.022 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000126717023 1415536957 /nfs/dbraw/zinc/53/69/57/1415536957.db2.gz HWCVEUNVUYKKOS-FQEVSTJZSA-N 2 0 389.547 3.471 20 0 GGADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000178036378 1428948648 /nfs/dbraw/zinc/94/86/48/1428948648.db2.gz OZZJFINVIPSFRR-QRVBRYPASA-N 2 0 375.557 3.500 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126739323 1415544031 /nfs/dbraw/zinc/54/40/31/1415544031.db2.gz BRALGLYOBSQAJM-FPOVZHCZSA-N 2 0 376.589 3.301 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126776049 1415555553 /nfs/dbraw/zinc/55/55/53/1415555553.db2.gz QSHGJCBEVXYOGH-IEBWSBKVSA-N 2 0 390.597 3.305 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000126797462 1415562664 /nfs/dbraw/zinc/56/26/64/1415562664.db2.gz GMWZQOVCKWKRBH-OAQYLSRUSA-N 2 0 398.551 3.058 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000178036158 1428949058 /nfs/dbraw/zinc/94/90/58/1428949058.db2.gz OYSQPOJWUVQUHL-BBWFWOEESA-N 2 0 380.529 3.252 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000178036907 1428949379 /nfs/dbraw/zinc/94/93/79/1428949379.db2.gz QSWMBUKASPVDLH-WOJBJXKFSA-N 2 0 391.575 3.312 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000126814577 1415568067 /nfs/dbraw/zinc/56/80/67/1415568067.db2.gz ZQCVPQUCVSAGLW-OALUTQOASA-N 2 0 388.487 3.158 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000126815287 1415568929 /nfs/dbraw/zinc/56/89/29/1415568929.db2.gz ZQCVPQUCVSAGLW-RTBURBONSA-N 2 0 388.487 3.158 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@H](C)O1 ZINC000178040325 1428951836 /nfs/dbraw/zinc/95/18/36/1428951836.db2.gz CBJCPHSEMQKKBR-MDECGGOYSA-N 2 0 385.552 3.298 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000127150799 1415672849 /nfs/dbraw/zinc/67/28/49/1415672849.db2.gz BNCQVABTSBKLFI-NRFANRHFSA-N 2 0 386.515 3.202 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000127251012 1415704592 /nfs/dbraw/zinc/70/45/92/1415704592.db2.gz KZIYTEWFSJEQEL-INIZCTEOSA-N 2 0 398.517 3.348 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000127294894 1415723955 /nfs/dbraw/zinc/72/39/55/1415723955.db2.gz JAACZZAIXBEHBS-ROUUACIJSA-N 3 0 376.564 3.349 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178121884 1428990843 /nfs/dbraw/zinc/99/08/43/1428990843.db2.gz BYJOKLXHUVTQCT-NRFANRHFSA-N 2 0 383.580 3.464 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000127333575 1415741390 /nfs/dbraw/zinc/74/13/90/1415741390.db2.gz RSRPFSYLYDJCGF-CVEARBPZSA-N 2 0 375.948 3.121 20 0 GGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000127356805 1415750538 /nfs/dbraw/zinc/75/05/38/1415750538.db2.gz RTJIBQJYRXGABK-UHFFFAOYSA-N 2 0 386.540 3.300 20 0 GGADRP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000127378004 1415758088 /nfs/dbraw/zinc/75/80/88/1415758088.db2.gz SHHDCWKZOZBBAO-UXHICEINSA-N 2 0 379.589 3.035 20 0 GGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000127410710 1415769606 /nfs/dbraw/zinc/76/96/06/1415769606.db2.gz LBHCAFIJZLMMOA-FQEVSTJZSA-N 2 0 386.540 3.253 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127437906 1415778942 /nfs/dbraw/zinc/77/89/42/1415778942.db2.gz AWJVNUPBBBBZMQ-HXUWFJFHSA-N 2 0 388.556 3.499 20 0 GGADRP C[C@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000127488457 1415799837 /nfs/dbraw/zinc/79/98/37/1415799837.db2.gz XYYPIYAEVQRUQW-GOSISDBHSA-N 2 0 387.518 3.344 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC(c4ccccc4)C3)c2)C1 ZINC000127512735 1415803294 /nfs/dbraw/zinc/80/32/94/1415803294.db2.gz KGIUUWRZROBXPM-UVKLAMSESA-N 2 0 377.532 3.420 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000127668470 1415829731 /nfs/dbraw/zinc/82/97/31/1415829731.db2.gz XWKUUIDGOHPDMG-DUXKGJEZSA-N 2 0 388.531 3.087 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178162523 1429003510 /nfs/dbraw/zinc/00/35/10/1429003510.db2.gz XBDYTGQOYDVECR-QGZVFWFLSA-N 2 0 386.540 3.170 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127749157 1415843602 /nfs/dbraw/zinc/84/36/02/1415843602.db2.gz CMBGZQKEVWIWOM-AKIFATBCSA-N 2 0 396.579 3.482 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127755401 1415844820 /nfs/dbraw/zinc/84/48/20/1415844820.db2.gz ZWFNNCCHNFOGRI-GCJKJVERSA-N 2 0 388.531 3.281 20 0 GGADRP Cc1nc(CN2CCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000127951912 1415881830 /nfs/dbraw/zinc/88/18/30/1415881830.db2.gz YXZHTOLHYQATJI-UHFFFAOYSA-N 2 0 385.556 3.044 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127969284 1415885314 /nfs/dbraw/zinc/88/53/14/1415885314.db2.gz CDZYEZWESHVYKM-GHTZIAJQSA-N 2 0 384.568 3.165 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000127987441 1415888477 /nfs/dbraw/zinc/88/84/77/1415888477.db2.gz OHCUUQXDWDLRDC-ROUUACIJSA-N 2 0 398.576 3.365 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178203048 1429017517 /nfs/dbraw/zinc/01/75/17/1429017517.db2.gz ZQOLETMTJQPWRX-FQEVSTJZSA-N 2 0 387.568 3.288 20 0 GGADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128140976 1415922645 /nfs/dbraw/zinc/92/26/45/1415922645.db2.gz MQXKQLFEANYXEP-YJBOKZPZSA-N 2 0 386.565 3.357 20 0 GGADRP C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000178259188 1429035983 /nfs/dbraw/zinc/03/59/83/1429035983.db2.gz SQDXTQVDGRSFTN-OALUTQOASA-N 2 0 387.568 3.100 20 0 GGADRP CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1OC(F)F ZINC000128589409 1416020014 /nfs/dbraw/zinc/02/00/14/1416020014.db2.gz RJILCEBPHYPVQZ-QGZVFWFLSA-N 2 0 385.499 3.048 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](C)CC1 ZINC000128603632 1416023462 /nfs/dbraw/zinc/02/34/62/1416023462.db2.gz JSYSRGHUHYJZAZ-DEOSSOPVSA-N 2 0 391.563 3.387 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662570 1416036796 /nfs/dbraw/zinc/03/67/96/1416036796.db2.gz AMBKKDPQGFCYPX-APWZRJJASA-N 2 0 377.529 3.131 20 0 GGADRP C[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000128767461 1416063141 /nfs/dbraw/zinc/06/31/41/1416063141.db2.gz IZRPUASUYNYTDP-NQIIRXRSSA-N 2 0 378.520 3.349 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000128780123 1416067286 /nfs/dbraw/zinc/06/72/86/1416067286.db2.gz PLOXKBGGDZDHIP-IFMALSPDSA-N 2 0 384.568 3.297 20 0 GGADRP Cc1cc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc(C)c1F ZINC000128821090 1416077521 /nfs/dbraw/zinc/07/75/21/1416077521.db2.gz JYJYLIYCHGVZGR-GOSISDBHSA-N 2 0 384.499 3.227 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000178296870 1429045234 /nfs/dbraw/zinc/04/52/34/1429045234.db2.gz NVPYOARXKMBUSG-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129493453 1416218398 /nfs/dbraw/zinc/21/83/98/1416218398.db2.gz FUBOSAUTCZGNFI-VAMGGRTRSA-N 2 0 386.584 3.258 20 0 GGADRP C[C@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129658934 1416244576 /nfs/dbraw/zinc/24/45/76/1416244576.db2.gz WSEOMDFXEQCRAB-MYGLTJDJSA-N 2 0 384.572 3.326 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOC(c1ccccc1)c1ccccc1 ZINC000129789842 1416263988 /nfs/dbraw/zinc/26/39/88/1416263988.db2.gz YZYGYRSEBVXACD-UHFFFAOYSA-N 2 0 381.564 3.362 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000129927665 1416286103 /nfs/dbraw/zinc/28/61/03/1416286103.db2.gz VKONCDYULJUPOF-GOSISDBHSA-N 2 0 392.975 3.145 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130217839 1416341125 /nfs/dbraw/zinc/34/11/25/1416341125.db2.gz QGAXWCWTBBPBEH-IAGOWNOFSA-N 2 0 378.586 3.227 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000130255053 1416347114 /nfs/dbraw/zinc/34/71/14/1416347114.db2.gz BHRYCJULUIGJSK-BAYUQKDNSA-N 2 0 384.568 3.306 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000130480873 1416385207 /nfs/dbraw/zinc/38/52/07/1416385207.db2.gz GURZXWGTIDHHJU-OGWOLHLISA-N 2 0 396.938 3.065 20 0 GGADRP COc1cccc(CCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130642838 1416415996 /nfs/dbraw/zinc/41/59/96/1416415996.db2.gz BKJIOXNLCWBPPS-UHFFFAOYSA-N 2 0 389.584 3.044 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000130648271 1416416710 /nfs/dbraw/zinc/41/67/10/1416416710.db2.gz IRQNNAUEXCXZSH-UHFFFAOYSA-N 2 0 377.598 3.195 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000130790620 1416451658 /nfs/dbraw/zinc/45/16/58/1416451658.db2.gz IGPMNGLSIHECMJ-LJQANCHMSA-N 2 0 392.563 3.267 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2n1 ZINC000178531871 1429098423 /nfs/dbraw/zinc/09/84/23/1429098423.db2.gz ILHNQLFIPJDXMC-KRWDZBQOSA-N 2 0 376.504 3.377 20 0 GGADRP CCc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000130905342 1416478947 /nfs/dbraw/zinc/47/89/47/1416478947.db2.gz WSSOUHFTIAKOPR-UHFFFAOYSA-N 2 0 383.536 3.302 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)C[C@@H](C)O1 ZINC000131060728 1416502904 /nfs/dbraw/zinc/50/29/04/1416502904.db2.gz ZZMBYYVGPTYTEO-WOJBJXKFSA-N 2 0 382.552 3.253 20 0 GGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000131175331 1416519584 /nfs/dbraw/zinc/51/95/84/1416519584.db2.gz PQHACYYLKMKIRE-QGZVFWFLSA-N 2 0 378.586 3.134 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000131183515 1416520458 /nfs/dbraw/zinc/52/04/58/1416520458.db2.gz WBISVDTVQSKYJP-UHFFFAOYSA-N 2 0 376.545 3.150 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000131279323 1416534183 /nfs/dbraw/zinc/53/41/83/1416534183.db2.gz WSWUPBXIHRTHNZ-ROUUACIJSA-N 2 0 381.586 3.388 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccco1 ZINC000131352003 1416544017 /nfs/dbraw/zinc/54/40/17/1416544017.db2.gz DSQNFWUHSPADTE-IBGZPJMESA-N 2 0 390.503 3.363 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000131557500 1416576096 /nfs/dbraw/zinc/57/60/96/1416576096.db2.gz NUOQMBLRYFXRJY-GOSISDBHSA-N 2 0 395.551 3.168 20 0 GGADRP O=C1[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C1CCCCC1 ZINC000131650233 1416590703 /nfs/dbraw/zinc/59/07/03/1416590703.db2.gz XESGLAJDLXYFNR-QFIPXVFZSA-N 2 0 385.552 3.184 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000131650785 1416590800 /nfs/dbraw/zinc/59/08/00/1416590800.db2.gz ZMRJOUSMLJIHNU-QFBILLFUSA-N 2 0 396.938 3.113 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000131699194 1416599501 /nfs/dbraw/zinc/59/95/01/1416599501.db2.gz RPWMWIPZXKTYNX-PZJWPPBQSA-N 2 0 398.551 3.406 20 0 GGADRP C[C@H]1CCC[C@](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000131766044 1416615624 /nfs/dbraw/zinc/61/56/24/1416615624.db2.gz RXSRRAZKOQOWQU-AVRDEDQJSA-N 2 0 390.572 3.396 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000131942142 1416656260 /nfs/dbraw/zinc/65/62/60/1416656260.db2.gz HWGRIBIQKDYBLH-GOSISDBHSA-N 2 0 387.572 3.027 20 0 GGADRP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000132179336 1416712506 /nfs/dbraw/zinc/71/25/06/1416712506.db2.gz ZHVNXJWNDLYBTH-UHFFFAOYSA-N 2 0 398.503 3.277 20 0 GGADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000132179554 1416712566 /nfs/dbraw/zinc/71/25/66/1416712566.db2.gz NPTROURPURMAKY-UHFFFAOYSA-N 2 0 398.503 3.277 20 0 GGADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000132441486 1416760836 /nfs/dbraw/zinc/76/08/36/1416760836.db2.gz VPYJXWNZDKWQIO-WBVHZDCISA-N 2 0 385.499 3.219 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)N1CC[NH+](C)CC1 ZINC000132575343 1416787051 /nfs/dbraw/zinc/78/70/51/1416787051.db2.gz SAJHZGRNDGFZJK-RBUKOAKNSA-N 2 0 385.474 3.434 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000132708445 1416806582 /nfs/dbraw/zinc/80/65/82/1416806582.db2.gz YVVTVJZONXPDJN-QGZVFWFLSA-N 2 0 382.504 3.265 20 0 GGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000132794417 1416815690 /nfs/dbraw/zinc/81/56/90/1416815690.db2.gz CZGQSHLADARJIY-UHFFFAOYSA-N 2 0 399.583 3.041 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000132861325 1416824416 /nfs/dbraw/zinc/82/44/16/1416824416.db2.gz NVEFXRXRTFUFDA-FHWLQOOXSA-N 2 0 387.572 3.027 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882490 1416826858 /nfs/dbraw/zinc/82/68/58/1416826858.db2.gz SCOFXRYFAZLNQF-RTBURBONSA-N 2 0 398.551 3.151 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928806 1416832300 /nfs/dbraw/zinc/83/23/00/1416832300.db2.gz WWADCTKYJLGFRD-YLJYHZDGSA-N 2 0 389.588 3.273 20 0 GGADRP Cc1cccc(N2CCC(NC(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000132941438 1416833722 /nfs/dbraw/zinc/83/37/22/1416833722.db2.gz OIVWJRBMPLAFQR-FQEVSTJZSA-N 2 0 387.572 3.169 20 0 GGADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000133000177 1416840450 /nfs/dbraw/zinc/84/04/50/1416840450.db2.gz VSJURKMOMHRYKW-IBGZPJMESA-N 2 0 391.987 3.395 20 0 GGADRP CCCn1nc(C)c(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)c1C ZINC000133042433 1416845188 /nfs/dbraw/zinc/84/51/88/1416845188.db2.gz ZZONMAHSYWCAMX-UHFFFAOYSA-N 2 0 383.584 3.337 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC[N@@H+]1C ZINC000133076622 1416849430 /nfs/dbraw/zinc/84/94/30/1416849430.db2.gz KTPOXKYPUBTGRO-LZQZEXGQSA-N 2 0 385.474 3.151 20 0 GGADRP CCNC(=O)c1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133268862 1416872453 /nfs/dbraw/zinc/87/24/53/1416872453.db2.gz OTKSBCRUUHPPJT-UHFFFAOYSA-N 2 0 394.563 3.257 20 0 GGADRP CN(c1ccccc1C[NH2+]CCN1CCc2sccc2C1)C1CC[NH+](C)CC1 ZINC000133289362 1416874749 /nfs/dbraw/zinc/87/47/49/1416874749.db2.gz HAGQWQDXFOCCBV-UHFFFAOYSA-N 2 0 398.620 3.426 20 0 GGADRP NC(=O)c1csc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000133352357 1416881338 /nfs/dbraw/zinc/88/13/38/1416881338.db2.gz GYUZVNACWWQQBZ-UHFFFAOYSA-N 2 0 387.549 3.008 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133422727 1416888446 /nfs/dbraw/zinc/88/84/46/1416888446.db2.gz ZFMQNMWOPPYGFW-PGRDOPGGSA-N 2 0 399.583 3.171 20 0 GGADRP Cc1ccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576754 1416908972 /nfs/dbraw/zinc/90/89/72/1416908972.db2.gz VGHZTRCHFCMOAV-GOSISDBHSA-N 2 0 381.520 3.321 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000133749494 1416955936 /nfs/dbraw/zinc/95/59/36/1416955936.db2.gz AXEBEAVMMFEPSN-UHFFFAOYSA-N 2 0 376.520 3.047 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000133753923 1416956753 /nfs/dbraw/zinc/95/67/53/1416956753.db2.gz GJNBQQRSLVVECB-UHFFFAOYSA-N 2 0 392.544 3.222 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000133831436 1416971626 /nfs/dbraw/zinc/97/16/26/1416971626.db2.gz WPOCNBQBNWTUTD-RBUKOAKNSA-N 2 0 387.572 3.028 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000133834382 1416972501 /nfs/dbraw/zinc/97/25/01/1416972501.db2.gz ZHBRPRWXHFPQSG-IRLDBZIGSA-N 2 0 386.584 3.270 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178688964 1429142082 /nfs/dbraw/zinc/14/20/82/1429142082.db2.gz SGYQPPXBIHMPOY-UHFFFAOYSA-N 2 0 391.559 3.131 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883234 1416987897 /nfs/dbraw/zinc/98/78/97/1416987897.db2.gz NSDYFFLTWULFOZ-OALUTQOASA-N 2 0 387.572 3.027 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883797 1416987977 /nfs/dbraw/zinc/98/79/77/1416987977.db2.gz NSDYFFLTWULFOZ-RTBURBONSA-N 2 0 387.572 3.027 20 0 GGADRP COC(=O)c1ccccc1-c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000133899420 1416990787 /nfs/dbraw/zinc/99/07/87/1416990787.db2.gz YRZCAWLWCHDPPS-UHFFFAOYSA-N 2 0 399.535 3.096 20 0 GGADRP COC(=O)c1ccc(-c2ccc(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)o2)cc1 ZINC000133900445 1416991217 /nfs/dbraw/zinc/99/12/17/1416991217.db2.gz AHIPKVFPJIZEMF-UHFFFAOYSA-N 2 0 399.535 3.096 20 0 GGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000133958320 1417001891 /nfs/dbraw/zinc/00/18/91/1417001891.db2.gz JEZXQIDJPFWNSL-GOSISDBHSA-N 2 0 399.583 3.039 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000134040060 1417013361 /nfs/dbraw/zinc/01/33/61/1417013361.db2.gz MCHDILFPPYSIKM-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP CCCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000134114927 1417024212 /nfs/dbraw/zinc/02/42/12/1417024212.db2.gz PWSFHWNUFVWWRI-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP COc1cccc([C@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000134130340 1417026559 /nfs/dbraw/zinc/02/65/59/1417026559.db2.gz BNRCXUVBYCCQIU-HSZRJFAPSA-N 2 0 383.536 3.049 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000134136836 1417027308 /nfs/dbraw/zinc/02/73/08/1417027308.db2.gz NXAANNGKERHJGN-SFTDATJTSA-N 2 0 378.605 3.118 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000134137488 1417027865 /nfs/dbraw/zinc/02/78/65/1417027865.db2.gz NXAANNGKERHJGN-NHCUHLMSSA-N 2 0 378.605 3.118 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)ccc1OC ZINC000178733296 1429155523 /nfs/dbraw/zinc/15/55/23/1429155523.db2.gz ZBTFBLTWYAPKQH-IBGZPJMESA-N 2 0 385.508 3.097 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000134481739 1417075069 /nfs/dbraw/zinc/07/50/69/1417075069.db2.gz NDRCQCHRBKLXAC-LJQANCHMSA-N 2 0 388.487 3.117 20 0 GGADRP CS[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000134561168 1417087520 /nfs/dbraw/zinc/08/75/20/1417087520.db2.gz GBKMLCSPUTYFBC-FQEVSTJZSA-N 2 0 375.582 3.116 20 0 GGADRP CN(c1ccccc1C[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134562449 1417087537 /nfs/dbraw/zinc/08/75/37/1417087537.db2.gz DQZQGBMHPSHWMN-NRFANRHFSA-N 2 0 398.595 3.098 20 0 GGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879441 1417138705 /nfs/dbraw/zinc/13/87/05/1417138705.db2.gz JYCPHTHWAFMFGY-NZRJUOQRSA-N 2 0 384.564 3.390 20 0 GGADRP Cc1cc(C)c(CCNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134904470 1417142356 /nfs/dbraw/zinc/14/23/56/1417142356.db2.gz GIJYTBQRVWGDMQ-OFNKIYASSA-N 2 0 383.580 3.219 20 0 GGADRP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000134926981 1417146555 /nfs/dbraw/zinc/14/65/55/1417146555.db2.gz DNBJFBSHIYPIHG-DYESRHJHSA-N 2 0 382.504 3.429 20 0 GGADRP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000134927001 1417146682 /nfs/dbraw/zinc/14/66/82/1417146682.db2.gz DNBJFBSHIYPIHG-UTKZUKDTSA-N 2 0 382.504 3.429 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C1CC1 ZINC000135653268 1417254371 /nfs/dbraw/zinc/25/43/71/1417254371.db2.gz AWYPVXYCHJLCEE-ZXYWRSMDSA-N 2 0 396.938 3.254 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136047533 1417288545 /nfs/dbraw/zinc/28/85/45/1417288545.db2.gz OWUAPLPSCRBBPZ-CQSZACIVSA-N 2 0 388.781 3.466 20 0 GGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1F ZINC000136083297 1417290652 /nfs/dbraw/zinc/29/06/52/1417290652.db2.gz LRXFQZNPFDDYIW-UHFFFAOYSA-N 2 0 399.510 3.178 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000136170255 1417297719 /nfs/dbraw/zinc/29/77/19/1417297719.db2.gz ZKGLRXRXWLJATD-UWJYYQICSA-N 2 0 398.526 3.350 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(F)c(Br)c2)ccn1 ZINC000136223591 1417302520 /nfs/dbraw/zinc/30/25/20/1417302520.db2.gz PPRAENAOCNTDHE-UHFFFAOYSA-N 2 0 382.277 3.213 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)ccn1 ZINC000136222291 1417302661 /nfs/dbraw/zinc/30/26/61/1417302661.db2.gz NMFWRADSKYGRSQ-UHFFFAOYSA-N 2 0 385.899 3.151 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000136249221 1417305071 /nfs/dbraw/zinc/30/50/71/1417305071.db2.gz NPUKZBKSOFOZBF-UHFFFAOYSA-N 2 0 386.515 3.338 20 0 GGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586945 1417330073 /nfs/dbraw/zinc/33/00/73/1417330073.db2.gz SQHBBTAVMDWGIQ-OALUTQOASA-N 2 0 386.458 3.485 20 0 GGADRP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000136607210 1417331719 /nfs/dbraw/zinc/33/17/19/1417331719.db2.gz UTAKKVRFGRNLMB-QZTJIDSGSA-N 2 0 397.357 3.315 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136623630 1417333168 /nfs/dbraw/zinc/33/31/68/1417333168.db2.gz DWHPLMGEFJTLFD-FUHWJXTLSA-N 2 0 378.586 3.183 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136694656 1417339243 /nfs/dbraw/zinc/33/92/43/1417339243.db2.gz AWGPEQBRXRUHLJ-HXUWFJFHSA-N 2 0 393.959 3.174 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000178808630 1429177063 /nfs/dbraw/zinc/17/70/63/1429177063.db2.gz JPLHBMJIIARBMC-LJQANCHMSA-N 2 0 399.583 3.267 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CCCn2ccnc2)c2cccs2)CC1 ZINC000136862168 1417351095 /nfs/dbraw/zinc/35/10/95/1417351095.db2.gz OKOGOTKIMJZEEG-SFHVURJKSA-N 2 0 389.569 3.449 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC[C@@H]21 ZINC000138044773 1417403233 /nfs/dbraw/zinc/40/32/33/1417403233.db2.gz BYNWJMAGDQCLIR-QUCCMNQESA-N 2 0 390.597 3.086 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC[C@@H]21 ZINC000138044684 1417403437 /nfs/dbraw/zinc/40/34/37/1417403437.db2.gz BYNWJMAGDQCLIR-ICSRJNTNSA-N 2 0 390.597 3.086 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000138912501 1417442204 /nfs/dbraw/zinc/44/22/04/1417442204.db2.gz AULGVFAICONKBE-XUVXKRRUSA-N 2 0 397.604 3.359 20 0 GGADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000139030695 1417446407 /nfs/dbraw/zinc/44/64/07/1417446407.db2.gz PUGHPTTUBVPNSR-SFHVURJKSA-N 2 0 396.535 3.234 20 0 GGADRP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000139064764 1417447035 /nfs/dbraw/zinc/44/70/35/1417447035.db2.gz YHKIATFDYZPOCZ-FXAWDEMLSA-N 2 0 391.556 3.252 20 0 GGADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000139912422 1417479863 /nfs/dbraw/zinc/47/98/63/1417479863.db2.gz OMYLXWNLZPGNIF-GOSISDBHSA-N 2 0 390.597 3.274 20 0 GGADRP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000139919457 1417480865 /nfs/dbraw/zinc/48/08/65/1417480865.db2.gz BZCWJKASKLOYQP-KRWDZBQOSA-N 2 0 378.586 3.130 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000178847930 1429193644 /nfs/dbraw/zinc/19/36/44/1429193644.db2.gz HZWMXZSVUWJROW-FQEVSTJZSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCC1 ZINC000142188895 1417574255 /nfs/dbraw/zinc/57/42/55/1417574255.db2.gz PINPBFCOUREKIP-KRWDZBQOSA-N 2 0 378.586 3.134 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178879038 1429209019 /nfs/dbraw/zinc/20/90/19/1429209019.db2.gz GNUPHQLZHJVNTE-COPCDDAFSA-N 2 0 382.552 3.078 20 0 GGADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000150229497 1417787142 /nfs/dbraw/zinc/78/71/42/1417787142.db2.gz OUEUHSGDUQXTOB-HXUWFJFHSA-N 2 0 386.584 3.320 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000150736824 1417794749 /nfs/dbraw/zinc/79/47/49/1417794749.db2.gz KHQKDOJTWLBODI-IRLDBZIGSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746039 1417796297 /nfs/dbraw/zinc/79/62/97/1417796297.db2.gz IXESIPMKEDIQKN-GOSISDBHSA-N 2 0 396.526 3.016 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178883011 1429210574 /nfs/dbraw/zinc/21/05/74/1429210574.db2.gz KQCUQLBSQJIHPO-SIKLNZKXSA-N 2 0 388.600 3.299 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000150762563 1417802034 /nfs/dbraw/zinc/80/20/34/1417802034.db2.gz SRHNTUGMGOOWOT-IBGZPJMESA-N 2 0 394.991 3.391 20 0 GGADRP CN(c1ccccc1C[NH2+]CCCOCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000150973323 1417846661 /nfs/dbraw/zinc/84/66/61/1417846661.db2.gz WFHOLMDMJCZGDP-UHFFFAOYSA-N 2 0 389.584 3.140 20 0 GGADRP Cc1cc([C@](C)(O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000150985144 1417849631 /nfs/dbraw/zinc/84/96/31/1417849631.db2.gz MFRISPCBRAHKMV-HSZRJFAPSA-N 2 0 385.552 3.424 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000150992711 1417851291 /nfs/dbraw/zinc/85/12/91/1417851291.db2.gz NHQDZZAQSSMGOL-UHFFFAOYSA-N 2 0 395.975 3.409 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000151133518 1417879014 /nfs/dbraw/zinc/87/90/14/1417879014.db2.gz NZSJTKFVPKTESY-OALUTQOASA-N 2 0 393.597 3.244 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139209 1417880385 /nfs/dbraw/zinc/88/03/85/1417880385.db2.gz GMEBMHQXJIPTJP-GOSISDBHSA-N 2 0 382.552 3.442 20 0 GGADRP Cc1cccn2c(=O)cc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)nc12 ZINC000151148223 1417882432 /nfs/dbraw/zinc/88/24/32/1417882432.db2.gz VBHKCODXJLYABF-LJQANCHMSA-N 2 0 382.552 3.479 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)c4cccnc34)cc2)CC1 ZINC000151399492 1417949659 /nfs/dbraw/zinc/94/96/59/1417949659.db2.gz QSMHWZGKRMUIPT-UHFFFAOYSA-N 2 0 378.495 3.411 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151467519 1417985646 /nfs/dbraw/zinc/98/56/46/1417985646.db2.gz JHMITYBLNDULJZ-CTNGQTDRSA-N 2 0 376.566 3.306 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151467451 1417985660 /nfs/dbraw/zinc/98/56/60/1417985660.db2.gz JHMITYBLNDULJZ-PZJWPPBQSA-N 2 0 376.566 3.306 20 0 GGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000151970772 1418108813 /nfs/dbraw/zinc/10/88/13/1418108813.db2.gz HFBZXPYVOQUURK-CPJSRVTESA-N 2 0 393.575 3.253 20 0 GGADRP CC[N@H+](CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C1CC1 ZINC000152052038 1418130832 /nfs/dbraw/zinc/13/08/32/1418130832.db2.gz YVLYJXLVUYQAFK-UHFFFAOYSA-N 2 0 386.540 3.314 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071974 1418137627 /nfs/dbraw/zinc/13/76/27/1418137627.db2.gz GQYBVWUZETWVKM-OALUTQOASA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000152186327 1418167972 /nfs/dbraw/zinc/16/79/72/1418167972.db2.gz AZUXJKBWKVZUAM-SFHVURJKSA-N 2 0 375.561 3.025 20 0 GGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)C ZINC000152186404 1418168156 /nfs/dbraw/zinc/16/81/56/1418168156.db2.gz AZUXJKBWKVZUAM-GOSISDBHSA-N 2 0 375.561 3.025 20 0 GGADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179075385 1429255662 /nfs/dbraw/zinc/25/56/62/1429255662.db2.gz HXDRYIDZBKHMFB-UHFFFAOYSA-N 2 0 376.589 3.158 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)nc1 ZINC000179123668 1429269481 /nfs/dbraw/zinc/26/94/81/1429269481.db2.gz LZFOSUABJNRBRM-BEFAXECRSA-N 2 0 386.927 3.283 20 0 GGADRP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391753 1429356076 /nfs/dbraw/zinc/35/60/76/1429356076.db2.gz RWDNENSKUNTWOU-GOSISDBHSA-N 2 0 398.526 3.464 20 0 GGADRP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392437 1429356244 /nfs/dbraw/zinc/35/62/44/1429356244.db2.gz UODYUCODAWEFRK-GOSISDBHSA-N 2 0 398.526 3.464 20 0 GGADRP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393239 1429356789 /nfs/dbraw/zinc/35/67/89/1429356789.db2.gz YZJXIBQACGNLFF-SFHVURJKSA-N 2 0 398.555 3.425 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccc(F)cc1 ZINC000179396743 1429358150 /nfs/dbraw/zinc/35/81/50/1429358150.db2.gz YYISDOOTRLZLGD-NRFANRHFSA-N 2 0 387.499 3.199 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccnc1Cl ZINC000179396541 1429358407 /nfs/dbraw/zinc/35/84/07/1429358407.db2.gz PDXUFAMIHIFDNQ-UHFFFAOYSA-N 2 0 387.915 3.307 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc4nccn43)CC2)c1 ZINC000179417311 1429366686 /nfs/dbraw/zinc/36/66/86/1429366686.db2.gz SWTXLTQJLISFNP-UHFFFAOYSA-N 2 0 377.536 3.335 20 0 GGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)c(C)n2n1 ZINC000179425004 1429370306 /nfs/dbraw/zinc/37/03/06/1429370306.db2.gz LCNIMCZGEZAASF-QGZVFWFLSA-N 2 0 393.535 3.154 20 0 GGADRP c1cn2c(cccc2C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000179429061 1429372439 /nfs/dbraw/zinc/37/24/39/1429372439.db2.gz ZMAXHRPJWISRJB-UHFFFAOYSA-N 2 0 378.520 3.495 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000179448487 1429380521 /nfs/dbraw/zinc/38/05/21/1429380521.db2.gz OOYBZFLKSSOIMG-UHFFFAOYSA-N 2 0 383.580 3.380 20 0 GGADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179467906 1429385453 /nfs/dbraw/zinc/38/54/53/1429385453.db2.gz XIJJLEZHGPAEPH-MRXNPFEDSA-N 2 0 388.537 3.020 20 0 GGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179467894 1429385642 /nfs/dbraw/zinc/38/56/42/1429385642.db2.gz XIJJLEZHGPAEPH-INIZCTEOSA-N 2 0 388.537 3.020 20 0 GGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000179509928 1429402555 /nfs/dbraw/zinc/40/25/55/1429402555.db2.gz ZURWFJYSONCPPZ-KRWDZBQOSA-N 2 0 379.508 3.367 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000179519094 1429406846 /nfs/dbraw/zinc/40/68/46/1429406846.db2.gz WVMWFYUQHXQTQY-UHFFFAOYSA-N 2 0 399.583 3.394 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179555624 1429429703 /nfs/dbraw/zinc/42/97/03/1429429703.db2.gz AVBLVYUWYRPDCQ-QFIPXVFZSA-N 2 0 392.547 3.326 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000152305174 1422068122 /nfs/dbraw/zinc/06/81/22/1422068122.db2.gz RORXHBPTWJBOLZ-OALUTQOASA-N 2 0 395.975 3.013 20 0 GGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000152457435 1422109036 /nfs/dbraw/zinc/10/90/36/1422109036.db2.gz DIYWEIFDQRPNRW-NLFFAJNJSA-N 2 0 393.575 3.253 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152708900 1422218262 /nfs/dbraw/zinc/21/82/62/1422218262.db2.gz ZUIFBNFEQGSDEB-VFUGHAIPSA-N 2 0 376.589 3.298 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000152769196 1422242125 /nfs/dbraw/zinc/24/21/25/1422242125.db2.gz GYKNJMHFKFGSTL-CEMLEFRQSA-N 2 0 386.584 3.413 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000152781086 1422245885 /nfs/dbraw/zinc/24/58/85/1422245885.db2.gz GNJRZLANMOBFPD-DXIQSLLYSA-N 2 0 377.548 3.379 20 0 GGADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000153565234 1422619478 /nfs/dbraw/zinc/61/94/78/1422619478.db2.gz VRZLCGLRWGOGQA-QFBILLFUSA-N 2 0 396.938 3.209 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153652950 1422678520 /nfs/dbraw/zinc/67/85/20/1422678520.db2.gz BIBZJXKEEMLWCL-RBBKRZOGSA-N 2 0 399.604 3.324 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000153997043 1422822775 /nfs/dbraw/zinc/82/27/75/1422822775.db2.gz CCHYPVMOIZRVPI-UHFFFAOYSA-N 2 0 384.524 3.149 20 0 GGADRP CC[N@H+](CC(=O)Nc1c(C)cnn1[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000154054547 1422832474 /nfs/dbraw/zinc/83/24/74/1422832474.db2.gz SYQRJOFTMMBGAJ-FQEVSTJZSA-N 2 0 381.524 3.061 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000154089647 1422839151 /nfs/dbraw/zinc/83/91/51/1422839151.db2.gz BPAPXLZQKJFJCQ-GOSISDBHSA-N 2 0 376.545 3.150 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154218576 1422857259 /nfs/dbraw/zinc/85/72/59/1422857259.db2.gz DOAGHWFUIRRWJD-LJQANCHMSA-N 2 0 389.588 3.239 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cnn1-c1cc(C)ccc1C ZINC000154342618 1422875720 /nfs/dbraw/zinc/87/57/20/1422875720.db2.gz COZLMDGPFQQVGM-HXUWFJFHSA-N 2 0 383.584 3.476 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000154381746 1422881196 /nfs/dbraw/zinc/88/11/96/1422881196.db2.gz DVRRYKYDTFFJKM-QHCPKHFHSA-N 2 0 392.547 3.421 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCC1)c1ccccc1 ZINC000154508177 1422898241 /nfs/dbraw/zinc/89/82/41/1422898241.db2.gz XYRGTWJNFCZURU-IEBWSBKVSA-N 2 0 375.582 3.204 20 0 GGADRP Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154585950 1422945696 /nfs/dbraw/zinc/94/56/96/1422945696.db2.gz XFSCYWFLZHTHSX-UHFFFAOYSA-N 2 0 376.545 3.369 20 0 GGADRP Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154605771 1422958255 /nfs/dbraw/zinc/95/82/55/1422958255.db2.gz YOQYSYCNTSLYJW-GOSISDBHSA-N 2 0 376.545 3.179 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000154660919 1422989115 /nfs/dbraw/zinc/98/91/15/1422989115.db2.gz XXMPOCQDWVNRLT-WSTZPKSXSA-N 2 0 378.992 3.170 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000154709754 1423008652 /nfs/dbraw/zinc/00/86/52/1423008652.db2.gz PXQFBEAKFYKPLA-GOSISDBHSA-N 2 0 387.524 3.188 20 0 GGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C2)CC1 ZINC000154742280 1423018684 /nfs/dbraw/zinc/01/86/84/1423018684.db2.gz WUUJDHIGTMDYFM-IBGZPJMESA-N 2 0 386.540 3.169 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000154976053 1423097035 /nfs/dbraw/zinc/09/70/35/1423097035.db2.gz SHWMZRZSGQTAJT-SFHVURJKSA-N 2 0 387.518 3.344 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000154976148 1423097595 /nfs/dbraw/zinc/09/75/95/1423097595.db2.gz SHWMZRZSGQTAJT-GOSISDBHSA-N 2 0 387.518 3.344 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000155070582 1423145737 /nfs/dbraw/zinc/14/57/37/1423145737.db2.gz NSWYBTMONLKEMI-JKSUJKDBSA-N 2 0 388.581 3.414 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155149806 1423197456 /nfs/dbraw/zinc/19/74/56/1423197456.db2.gz XJSWSMMUAIHTIN-VQTJNVASSA-N 2 0 388.556 3.467 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000179884285 1429624425 /nfs/dbraw/zinc/62/44/25/1429624425.db2.gz YFUHJZKMZGYSOE-IRXDYDNUSA-N 2 0 388.581 3.470 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000155307614 1423310577 /nfs/dbraw/zinc/31/05/77/1423310577.db2.gz LBFSWFXXYGJCDK-VQTJNVASSA-N 2 0 376.520 3.088 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308659 1423310773 /nfs/dbraw/zinc/31/07/73/1423310773.db2.gz LBLGSEOIYHKGTE-GCJKJVERSA-N 2 0 378.520 3.209 20 0 GGADRP C[NH+](C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000155342584 1423325146 /nfs/dbraw/zinc/32/51/46/1423325146.db2.gz YPONLEAWZJVIJM-UHFFFAOYSA-N 2 0 388.434 3.075 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000155411693 1423353150 /nfs/dbraw/zinc/35/31/50/1423353150.db2.gz RHDWLSVVHNWJPP-LEWJYISDSA-N 2 0 399.535 3.070 20 0 GGADRP C[S@](=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000155541062 1423409068 /nfs/dbraw/zinc/40/90/68/1423409068.db2.gz SJGVBFAEQSJWLP-MUUNZHRXSA-N 2 0 399.604 3.112 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619330 1423450223 /nfs/dbraw/zinc/45/02/23/1423450223.db2.gz CGVUYZOKSYEPQE-QUCCMNQESA-N 2 0 384.568 3.378 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000155676479 1423481555 /nfs/dbraw/zinc/48/15/55/1423481555.db2.gz OTJKIHMWAFCMSN-OAQYLSRUSA-N 2 0 393.531 3.466 20 0 GGADRP C[C@H]([NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155705795 1423496878 /nfs/dbraw/zinc/49/68/78/1423496878.db2.gz KTMJDCBVHOPATO-SFHVURJKSA-N 2 0 378.992 3.172 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000155750971 1423516327 /nfs/dbraw/zinc/51/63/27/1423516327.db2.gz RCFYBQYEZXDBCB-QGZVFWFLSA-N 2 0 396.982 3.059 20 0 GGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000155770770 1423526548 /nfs/dbraw/zinc/52/65/48/1423526548.db2.gz CQAAFFKVPDFJIO-LJQANCHMSA-N 2 0 387.568 3.267 20 0 GGADRP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155793454 1423536724 /nfs/dbraw/zinc/53/67/24/1423536724.db2.gz FTDUKCZZFLUKPU-AVRDEDQJSA-N 2 0 384.568 3.308 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155793330 1423537120 /nfs/dbraw/zinc/53/71/20/1423537120.db2.gz FTDUKCZZFLUKPU-GCJKJVERSA-N 2 0 384.568 3.308 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000155822965 1423549091 /nfs/dbraw/zinc/54/90/91/1423549091.db2.gz FMZQGKLMCRWLMP-UHFFFAOYSA-N 2 0 395.613 3.247 20 0 GGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000156261969 1423748061 /nfs/dbraw/zinc/74/80/61/1423748061.db2.gz WUEZINWFDMAZGY-LEWJYISDSA-N 2 0 378.605 3.403 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000156409476 1423806876 /nfs/dbraw/zinc/80/68/76/1423806876.db2.gz NTJGWSLRUAIKMV-UHFFFAOYSA-N 2 0 375.582 3.230 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156480974 1423815814 /nfs/dbraw/zinc/81/58/14/1423815814.db2.gz FWJYQGFSOYJNIX-HBMCJLEFSA-N 2 0 378.605 3.404 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)ccc1OC ZINC000179982784 1429674860 /nfs/dbraw/zinc/67/48/60/1429674860.db2.gz QOYVBXUIJGIBMA-XLIONFOSSA-N 2 0 392.540 3.110 20 0 GGADRP C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000156680801 1423847068 /nfs/dbraw/zinc/84/70/68/1423847068.db2.gz UPQVACTVCLWYEX-VCOUNFBDSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000156680661 1423847296 /nfs/dbraw/zinc/84/72/96/1423847296.db2.gz UPQVACTVCLWYEX-CBQOVEMMSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156785668 1423864600 /nfs/dbraw/zinc/86/46/00/1423864600.db2.gz BQBDMDYMMWDMGG-DENIHFKCSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156785373 1423864631 /nfs/dbraw/zinc/86/46/31/1423864631.db2.gz BQBDMDYMMWDMGG-KNQAVFIVSA-N 2 0 384.568 3.093 20 0 GGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156791804 1423865875 /nfs/dbraw/zinc/86/58/75/1423865875.db2.gz WOWMRZDZTQQHJO-YADHBBJMSA-N 2 0 384.568 3.311 20 0 GGADRP COc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156893585 1423882015 /nfs/dbraw/zinc/88/20/15/1423882015.db2.gz CRXNRVSKESCNMP-AVRDEDQJSA-N 2 0 395.547 3.113 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4C3)c2)C1 ZINC000156903434 1423883092 /nfs/dbraw/zinc/88/30/92/1423883092.db2.gz HSCVGEZPDFUTKZ-XZOQPEGZSA-N 2 0 377.532 3.031 20 0 GGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911794 1423884967 /nfs/dbraw/zinc/88/49/67/1423884967.db2.gz FWVLCBNMXSOIPA-FHZYATBESA-N 2 0 377.532 3.407 20 0 GGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156920515 1423885976 /nfs/dbraw/zinc/88/59/76/1423885976.db2.gz XHWBOCZWMTVOED-LPHOPBHVSA-N 2 0 377.598 3.394 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccnc(Cl)c1 ZINC000156930626 1423888292 /nfs/dbraw/zinc/88/82/92/1423888292.db2.gz OTDOMDXIMMKKMJ-BEFAXECRSA-N 2 0 386.927 3.283 20 0 GGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000156941907 1423890229 /nfs/dbraw/zinc/89/02/29/1423890229.db2.gz DRMXFKNOFUGEIA-RBUKOAKNSA-N 2 0 398.576 3.316 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949439 1423892052 /nfs/dbraw/zinc/89/20/52/1423892052.db2.gz CNPAHJPERKAYOI-UWJYYQICSA-N 2 0 381.520 3.243 20 0 GGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000156958469 1423893109 /nfs/dbraw/zinc/89/31/09/1423893109.db2.gz SQSSSOKJRUNHFE-PXNSSMCTSA-N 2 0 383.540 3.012 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)[C@H](C)C1 ZINC000156982790 1423897309 /nfs/dbraw/zinc/89/73/09/1423897309.db2.gz PSURZWVQTGBJQU-LQWHRVPQSA-N 2 0 389.540 3.431 20 0 GGADRP Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000157163162 1423942090 /nfs/dbraw/zinc/94/20/90/1423942090.db2.gz DSAQAHBCPOZICZ-SFHVURJKSA-N 2 0 389.565 3.076 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157175571 1423945946 /nfs/dbraw/zinc/94/59/46/1423945946.db2.gz DSSBYZJYDYNMDJ-WOJBJXKFSA-N 2 0 376.520 3.088 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]2CCCCC2)cc1 ZINC000157196175 1423952862 /nfs/dbraw/zinc/95/28/62/1423952862.db2.gz AZCPREAGCNQJQH-OAQYLSRUSA-N 2 0 390.572 3.204 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157263687 1423969601 /nfs/dbraw/zinc/96/96/01/1423969601.db2.gz PYFGZILLVMIYHF-RBUKOAKNSA-N 2 0 381.586 3.040 20 0 GGADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000180015485 1429693019 /nfs/dbraw/zinc/69/30/19/1429693019.db2.gz ZAPBXPWBZGDIFG-GHTZIAJQSA-N 2 0 399.645 3.069 20 0 GGADRP CC(C)(C)CC[NH+]1CCN(CCCN2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000157623953 1424051359 /nfs/dbraw/zinc/05/13/59/1424051359.db2.gz CHINELMLJOQUCK-UHFFFAOYSA-N 2 0 380.665 3.484 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000157715255 1424072848 /nfs/dbraw/zinc/07/28/48/1424072848.db2.gz FFOLKXOEUMJCIK-OALUTQOASA-N 2 0 398.551 3.098 20 0 GGADRP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000157813414 1424094137 /nfs/dbraw/zinc/09/41/37/1424094137.db2.gz XCTXALRGXARTFV-ZRZAMGCNSA-N 2 0 376.633 3.277 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000157817764 1424094394 /nfs/dbraw/zinc/09/43/94/1424094394.db2.gz ONGFAACYSQYHPL-FQEVSTJZSA-N 2 0 386.584 3.237 20 0 GGADRP CN(c1ccccc1C[NH+]1CCN(c2ccc(O)cc2)CC1)C1CC[NH+](C)CC1 ZINC000157911010 1424117421 /nfs/dbraw/zinc/11/74/21/1424117421.db2.gz CNSNPCDOJNDMEK-UHFFFAOYSA-N 2 0 394.563 3.245 20 0 GGADRP CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000157970001 1424131596 /nfs/dbraw/zinc/13/15/96/1424131596.db2.gz OCKOFNMLGBVYMP-KRWDZBQOSA-N 2 0 380.508 3.104 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1OC ZINC000158060799 1424153276 /nfs/dbraw/zinc/15/32/76/1424153276.db2.gz FSFHADFZTKFPBR-OAHLLOKOSA-N 2 0 382.936 3.228 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000158116065 1424170585 /nfs/dbraw/zinc/17/05/85/1424170585.db2.gz TZZUEXJZYOLSLK-KRWDZBQOSA-N 2 0 394.535 3.493 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158142775 1424177830 /nfs/dbraw/zinc/17/78/30/1424177830.db2.gz ICRHJDZWXULDRI-IBGZPJMESA-N 2 0 397.485 3.384 20 0 GGADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000158149934 1424180178 /nfs/dbraw/zinc/18/01/78/1424180178.db2.gz GVHUOGMVVRYFJZ-LJQANCHMSA-N 2 0 390.572 3.425 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000158172603 1424186227 /nfs/dbraw/zinc/18/62/27/1424186227.db2.gz GWOTVKLXMWPIEZ-WBVHZDCISA-N 2 0 383.577 3.300 20 0 GGADRP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000158205408 1424194797 /nfs/dbraw/zinc/19/47/97/1424194797.db2.gz BIVHCKYWXZEPLJ-WMZOPIPTSA-N 2 0 383.577 3.253 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158457559 1424260615 /nfs/dbraw/zinc/26/06/15/1424260615.db2.gz ZIVVPSRKDVJALF-QUCCMNQESA-N 2 0 388.556 3.355 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158457840 1424260842 /nfs/dbraw/zinc/26/08/42/1424260842.db2.gz ZIVVPSRKDVJALF-ICSRJNTNSA-N 2 0 388.556 3.355 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000158473897 1424266848 /nfs/dbraw/zinc/26/68/48/1424266848.db2.gz VBVGXYNCFKIWNY-VQTJNVASSA-N 2 0 388.556 3.385 20 0 GGADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000158507891 1424275188 /nfs/dbraw/zinc/27/51/88/1424275188.db2.gz XGBHAQHNJYBEEC-REWPJTCUSA-N 2 0 396.579 3.309 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000158574464 1424293474 /nfs/dbraw/zinc/29/34/74/1424293474.db2.gz KQKALBCKBIBKNP-LJQANCHMSA-N 2 0 376.545 3.370 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158579351 1424294848 /nfs/dbraw/zinc/29/48/48/1424294848.db2.gz KCPOEHLYFDPMPK-KSZLIROESA-N 2 0 381.586 3.467 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000158582777 1424295920 /nfs/dbraw/zinc/29/59/20/1424295920.db2.gz ZELZFCBMNMDLBK-SFHVURJKSA-N 2 0 378.586 3.449 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158665873 1424313606 /nfs/dbraw/zinc/31/36/06/1424313606.db2.gz OBMYPBRUTYXLHW-FGTMMUONSA-N 2 0 381.586 3.467 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000158689795 1424319966 /nfs/dbraw/zinc/31/99/66/1424319966.db2.gz ZTOTWVKNPGOBIR-RDPSFJRHSA-N 2 0 397.563 3.179 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000158707186 1424323525 /nfs/dbraw/zinc/32/35/25/1424323525.db2.gz YZOAIINUGNUWAA-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@H]1C[C@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000158978923 1424385752 /nfs/dbraw/zinc/38/57/52/1424385752.db2.gz RYWVAAJLHVOEGI-SIKLNZKXSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]1C[C@@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000158979187 1424386966 /nfs/dbraw/zinc/38/69/66/1424386966.db2.gz RYWVAAJLHVOEGI-UGKGYDQZSA-N 2 0 386.584 3.413 20 0 GGADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000159015165 1424396266 /nfs/dbraw/zinc/39/62/66/1424396266.db2.gz XRXRRWKQQRQGCQ-QGZVFWFLSA-N 2 0 390.549 3.271 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCCC1 ZINC000159047390 1424404752 /nfs/dbraw/zinc/40/47/52/1424404752.db2.gz AMFDMAQZBPCOJS-LJQANCHMSA-N 2 0 376.545 3.322 20 0 GGADRP CCc1cc(N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)ncn1 ZINC000159051305 1424405349 /nfs/dbraw/zinc/40/53/49/1424405349.db2.gz JEUHEMPCAIKURQ-SFHVURJKSA-N 2 0 397.567 3.299 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)ccn2)CC1 ZINC000159177162 1424435508 /nfs/dbraw/zinc/43/55/08/1424435508.db2.gz DSYAENVTADRSKM-HXUWFJFHSA-N 2 0 378.520 3.370 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)ccn2)CC1 ZINC000159177301 1424436254 /nfs/dbraw/zinc/43/62/54/1424436254.db2.gz DSYAENVTADRSKM-FQEVSTJZSA-N 2 0 378.520 3.370 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000159186315 1424438885 /nfs/dbraw/zinc/43/88/85/1424438885.db2.gz MOCLIIBQZYXSFO-SFHVURJKSA-N 2 0 378.586 3.401 20 0 GGADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC ZINC000159208654 1424442933 /nfs/dbraw/zinc/44/29/33/1424442933.db2.gz XUQLXNJZURTGBF-SFHVURJKSA-N 2 0 398.551 3.482 20 0 GGADRP CN(CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC(F)(F)F ZINC000180083106 1429729164 /nfs/dbraw/zinc/72/91/64/1429729164.db2.gz WDXAXNFSRZAKIL-UHFFFAOYSA-N 2 0 392.897 3.066 20 0 GGADRP Cc1cccc(OCC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000159337935 1424489153 /nfs/dbraw/zinc/48/91/53/1424489153.db2.gz RPOZCKSSELAXHN-UHFFFAOYSA-N 2 0 387.568 3.078 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC000159871283 1424545640 /nfs/dbraw/zinc/54/56/40/1424545640.db2.gz LCXNCAXFNKNZPU-QFIPXVFZSA-N 2 0 387.568 3.030 20 0 GGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000160499402 1424608488 /nfs/dbraw/zinc/60/84/88/1424608488.db2.gz QGPSAAXBFOGXEB-AQNXPRMDSA-N 2 0 396.620 3.170 20 0 GGADRP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000160609697 1424618287 /nfs/dbraw/zinc/61/82/87/1424618287.db2.gz ZZNGRJBUCASNLX-MOPGFXCFSA-N 2 0 398.661 3.497 20 0 GGADRP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000180116190 1429743953 /nfs/dbraw/zinc/74/39/53/1429743953.db2.gz AQBODDNYCHJIDB-UHFFFAOYSA-N 2 0 395.588 3.068 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CCC(C)C)c1C ZINC000162030222 1424810333 /nfs/dbraw/zinc/81/03/33/1424810333.db2.gz UYGUCCWLZZRMPO-IBGZPJMESA-N 2 0 392.592 3.117 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(Cl)c3)c2)C1 ZINC000162078022 1424814258 /nfs/dbraw/zinc/81/42/58/1424814258.db2.gz BFAVUEXKRBQGRF-SFHVURJKSA-N 2 0 389.902 3.466 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)nc(C)n1 ZINC000162225029 1424828329 /nfs/dbraw/zinc/82/83/29/1424828329.db2.gz UQHNOVXTBUIRAF-SFHVURJKSA-N 2 0 397.567 3.353 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@](C)(O)c2cccs2)CC1 ZINC000180142105 1429756499 /nfs/dbraw/zinc/75/64/99/1429756499.db2.gz YIUOYBUWUJNUCV-IBGZPJMESA-N 2 0 379.957 3.151 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](CCO)c2ccccc2)CC1 ZINC000180142377 1429756986 /nfs/dbraw/zinc/75/69/86/1429756986.db2.gz SCSHREYRCOZECW-IBGZPJMESA-N 2 0 387.955 3.348 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000162416553 1424848920 /nfs/dbraw/zinc/84/89/20/1424848920.db2.gz ZOUMNFDEGKJUEK-OALUTQOASA-N 2 0 376.545 3.084 20 0 GGADRP c1ccc(C[C@@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000162433489 1424851263 /nfs/dbraw/zinc/85/12/63/1424851263.db2.gz JIOVRCKLJRVCNQ-QHCPKHFHSA-N 2 0 385.596 3.317 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000162543112 1424864369 /nfs/dbraw/zinc/86/43/69/1424864369.db2.gz LBERKZJJZHDQAV-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000162550347 1424864957 /nfs/dbraw/zinc/86/49/57/1424864957.db2.gz NBHLRTDYINDGCR-INIZCTEOSA-N 2 0 388.581 3.415 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000162572087 1424867702 /nfs/dbraw/zinc/86/77/02/1424867702.db2.gz VPRGHNUCWGYJSU-GBXCKJPGSA-N 2 0 397.563 3.006 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000162572214 1424867851 /nfs/dbraw/zinc/86/78/51/1424867851.db2.gz VPRGHNUCWGYJSU-HYBUGGRVSA-N 2 0 397.563 3.006 20 0 GGADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)oc1C ZINC000162788151 1424890452 /nfs/dbraw/zinc/89/04/52/1424890452.db2.gz ZXTJISDRVYTXPC-QGZVFWFLSA-N 2 0 394.523 3.435 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031839 1424926872 /nfs/dbraw/zinc/92/68/72/1424926872.db2.gz IYHOWYQCUGFXIR-RTWAWAEBSA-N 2 0 397.673 3.465 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031952 1424927049 /nfs/dbraw/zinc/92/70/49/1424927049.db2.gz IYHOWYQCUGFXIR-NHCUHLMSSA-N 2 0 397.673 3.465 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000163063651 1424934607 /nfs/dbraw/zinc/93/46/07/1424934607.db2.gz SYNIBFORENZTEE-APWZRJJASA-N 2 0 381.586 3.146 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163239869 1424965305 /nfs/dbraw/zinc/96/53/05/1424965305.db2.gz UZJIGKBXDRRZIT-OFNKIYASSA-N 2 0 396.579 3.309 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163239950 1424965440 /nfs/dbraw/zinc/96/54/40/1424965440.db2.gz UZJIGKBXDRRZIT-NZQKXSOJSA-N 2 0 396.579 3.309 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1F ZINC000163507661 1425008865 /nfs/dbraw/zinc/00/88/65/1425008865.db2.gz QXKQCRSZCSGJBX-OAHLLOKOSA-N 2 0 379.520 3.112 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC)cc1 ZINC000163515103 1425010837 /nfs/dbraw/zinc/01/08/37/1425010837.db2.gz DPYXJRJYRJJHLN-HXUWFJFHSA-N 2 0 375.557 3.363 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000163518907 1425011563 /nfs/dbraw/zinc/01/15/63/1425011563.db2.gz RWQHVKLQSUTCEJ-GCJKJVERSA-N 2 0 387.568 3.364 20 0 GGADRP CCc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCC2 ZINC000163520143 1425012025 /nfs/dbraw/zinc/01/20/25/1425012025.db2.gz DWWFYKRIGUQNHB-MRXNPFEDSA-N 2 0 392.613 3.299 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163526134 1425012497 /nfs/dbraw/zinc/01/24/97/1425012497.db2.gz DAGKPFJXXNGBPR-QZTJIDSGSA-N 2 0 389.584 3.404 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000180158473 1429770087 /nfs/dbraw/zinc/77/00/87/1429770087.db2.gz OQMFDJCNOXUUBC-JXFKEZNVSA-N 2 0 396.000 3.236 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000163575377 1425019910 /nfs/dbraw/zinc/01/99/10/1425019910.db2.gz GLMZJTJPIGWDTK-GOSISDBHSA-N 2 0 395.613 3.346 20 0 GGADRP C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671147 1425031696 /nfs/dbraw/zinc/03/16/96/1425031696.db2.gz DFRWSBCLDBRZQZ-YKSBVNFPSA-N 2 0 397.563 3.351 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000163779447 1425043598 /nfs/dbraw/zinc/04/35/98/1425043598.db2.gz ZYGVYRIBHJIWGA-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000163928388 1425058883 /nfs/dbraw/zinc/05/88/83/1425058883.db2.gz IDQOGJBMMWIXBS-UHFFFAOYSA-N 3 0 384.612 3.048 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cncs1 ZINC000163954360 1425061884 /nfs/dbraw/zinc/06/18/84/1425061884.db2.gz CSLNAUFUXNQGTI-MRXNPFEDSA-N 2 0 375.538 3.484 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CCOC1 ZINC000163968439 1425064132 /nfs/dbraw/zinc/06/41/32/1425064132.db2.gz ZMLYIQMNBNCOSJ-DENIHFKCSA-N 2 0 376.541 3.081 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000164444779 1425113155 /nfs/dbraw/zinc/11/31/55/1425113155.db2.gz VHJOMIRBERPJQY-INIZCTEOSA-N 2 0 377.529 3.275 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000164444923 1425113491 /nfs/dbraw/zinc/11/34/91/1425113491.db2.gz VHJOMIRBERPJQY-MRXNPFEDSA-N 2 0 377.529 3.275 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164499792 1425117705 /nfs/dbraw/zinc/11/77/05/1425117705.db2.gz WHIGNOHYZPGKDU-FUHWJXTLSA-N 2 0 377.529 3.287 20 0 GGADRP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000164541069 1425121667 /nfs/dbraw/zinc/12/16/67/1425121667.db2.gz KACAMJURJAICCJ-IBGZPJMESA-N 2 0 375.875 3.260 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000164819079 1425144849 /nfs/dbraw/zinc/14/48/49/1425144849.db2.gz BVKWNKKFHGGGFD-HXUWFJFHSA-N 2 0 389.927 3.377 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000164923701 1425151919 /nfs/dbraw/zinc/15/19/19/1425151919.db2.gz GSHAJDQTUHCZGL-CMKODMSKSA-N 2 0 377.573 3.234 20 0 GGADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165297606 1425174546 /nfs/dbraw/zinc/17/45/46/1425174546.db2.gz QFWIPKSDYZPZJO-FQEVSTJZSA-N 2 0 381.520 3.038 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165338616 1425175009 /nfs/dbraw/zinc/17/50/09/1425175009.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 2 0 392.591 3.446 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000165326601 1425175347 /nfs/dbraw/zinc/17/53/47/1425175347.db2.gz BOALGSGHIJINPO-RTBURBONSA-N 2 0 393.597 3.244 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587099 1425186166 /nfs/dbraw/zinc/18/61/66/1425186166.db2.gz FYHOVVDUMSIGBQ-GJYPPUQNSA-N 2 0 398.517 3.276 20 0 GGADRP C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579377 1425186629 /nfs/dbraw/zinc/18/66/29/1425186629.db2.gz HRFHGQVQMILADD-CRAIPNDOSA-N 2 0 384.490 3.030 20 0 GGADRP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CN1C1CC1 ZINC000165597111 1425187154 /nfs/dbraw/zinc/18/71/54/1425187154.db2.gz SHEVDVRMPAJPNZ-YJBOKZPZSA-N 2 0 396.501 3.172 20 0 GGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000165589722 1425187872 /nfs/dbraw/zinc/18/78/72/1425187872.db2.gz OBVXLMABZCGQNJ-AWEZNQCLSA-N 2 0 381.446 3.042 20 0 GGADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165667702 1425191516 /nfs/dbraw/zinc/19/15/16/1425191516.db2.gz FFBKSUZSQDJAOV-WIYYLYMNSA-N 2 0 387.568 3.459 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000165763132 1425195911 /nfs/dbraw/zinc/19/59/11/1425195911.db2.gz XXEKAJWRRZKGKP-HOTGVXAUSA-N 2 0 382.499 3.083 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000165933419 1425202515 /nfs/dbraw/zinc/20/25/15/1425202515.db2.gz RNPGYZZNNHCGMR-RDTXWAMCSA-N 2 0 379.936 3.237 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000166007251 1425204979 /nfs/dbraw/zinc/20/49/79/1425204979.db2.gz TXJSUFSQABOLCU-KSSFIOAISA-N 2 0 379.936 3.237 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1OC ZINC000166183199 1425207491 /nfs/dbraw/zinc/20/74/91/1425207491.db2.gz LNRXXKMFZOIHFE-FQEVSTJZSA-N 2 0 397.519 3.069 20 0 GGADRP Clc1ccccc1N1CCN(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166317763 1425210935 /nfs/dbraw/zinc/21/09/35/1425210935.db2.gz NYFLIZYQNZQXTQ-RBUKOAKNSA-N 2 0 376.976 3.069 20 0 GGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166701507 1425216567 /nfs/dbraw/zinc/21/65/67/1425216567.db2.gz MBNOYFHCUBBFNP-RBUKOAKNSA-N 2 0 396.501 3.174 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000167431886 1425226062 /nfs/dbraw/zinc/22/60/62/1425226062.db2.gz VXMYWWBRIHHVIR-IRXDYDNUSA-N 2 0 390.547 3.320 20 0 GGADRP Fc1ccc(CCN2CCC([NH2+][C@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168165392 1425235847 /nfs/dbraw/zinc/23/58/47/1425235847.db2.gz MYFPNGJVTQAUCT-FQEVSTJZSA-N 2 0 386.490 3.235 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168362803 1425236865 /nfs/dbraw/zinc/23/68/65/1425236865.db2.gz JJDAEIUHHUKHOG-UHFFFAOYSA-N 2 0 395.425 3.008 20 0 GGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000168952505 1425240662 /nfs/dbraw/zinc/24/06/62/1425240662.db2.gz ICRQSLNIWHNTGA-SZVBFZGTSA-N 2 0 397.485 3.422 20 0 GGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000168953900 1425241048 /nfs/dbraw/zinc/24/10/48/1425241048.db2.gz NGAUQFHOXTYNCW-BEFAXECRSA-N 2 0 397.485 3.422 20 0 GGADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929214 1425241321 /nfs/dbraw/zinc/24/13/21/1425241321.db2.gz XUARKGIMQQBWIX-NRFANRHFSA-N 2 0 379.976 3.087 20 0 GGADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929125 1425241379 /nfs/dbraw/zinc/24/13/79/1425241379.db2.gz XUARKGIMQQBWIX-OAQYLSRUSA-N 2 0 379.976 3.087 20 0 GGADRP C(=C/CN1CCC[C@@H]1C[NH+]1CCCCC1)\CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170784819 1425342573 /nfs/dbraw/zinc/34/25/73/1425342573.db2.gz AHIHOYCJHZYUKB-XMUPPXAMSA-N 2 0 388.644 3.443 20 0 GGADRP Cc1ccc(NCCCNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000170894342 1425383335 /nfs/dbraw/zinc/38/33/35/1425383335.db2.gz HHBPLARWPCZNOS-HXUWFJFHSA-N 2 0 387.572 3.346 20 0 GGADRP CCCO[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000170989147 1425425237 /nfs/dbraw/zinc/42/52/37/1425425237.db2.gz PYXUDXGYVXHSLC-QFIPXVFZSA-N 2 0 387.568 3.180 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000171003237 1425432109 /nfs/dbraw/zinc/43/21/09/1425432109.db2.gz HPLBDGOEVJYGFV-UHFFFAOYSA-N 2 0 386.584 3.209 20 0 GGADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171037954 1425449670 /nfs/dbraw/zinc/44/96/70/1425449670.db2.gz GPZJETJGKQWPBB-UXHICEINSA-N 2 0 390.959 3.357 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](CCCOC)CC2)cc1)C(C)C ZINC000171122839 1425493224 /nfs/dbraw/zinc/49/32/24/1425493224.db2.gz YFZMHFGRDBRXBR-UHFFFAOYSA-N 2 0 375.557 3.148 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000171138943 1425502678 /nfs/dbraw/zinc/50/26/78/1425502678.db2.gz UJGWBICMWMUFKG-NRFANRHFSA-N 2 0 380.536 3.434 20 0 GGADRP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000171276766 1425589492 /nfs/dbraw/zinc/58/94/92/1425589492.db2.gz GKYMTZVJHCTPDV-FTEYMNFISA-N 2 0 385.552 3.352 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304579 1425605861 /nfs/dbraw/zinc/60/58/61/1425605861.db2.gz IGGPOXUIFIBKLY-CALCHBBNSA-N 2 0 393.959 3.490 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn4ccccc4n3)CC2)c1 ZINC000171379307 1425649615 /nfs/dbraw/zinc/64/96/15/1425649615.db2.gz YKUGVWLJIZLCMI-UHFFFAOYSA-N 2 0 377.536 3.335 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000171526731 1425717479 /nfs/dbraw/zinc/71/74/79/1425717479.db2.gz MNRSSHIOYGNUDN-QHCPKHFHSA-N 2 0 379.548 3.477 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000171530272 1425718605 /nfs/dbraw/zinc/71/86/05/1425718605.db2.gz QRONSKCAYHCDEG-IBGZPJMESA-N 2 0 388.581 3.433 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171598079 1425754361 /nfs/dbraw/zinc/75/43/61/1425754361.db2.gz GRCVYTZMIZYNEE-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171598454 1425754434 /nfs/dbraw/zinc/75/44/34/1425754434.db2.gz DBNRYYKQAXHYSP-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000171611968 1425758333 /nfs/dbraw/zinc/75/83/33/1425758333.db2.gz NZCDGWXIXPOFQD-OAQYLSRUSA-N 2 0 386.584 3.113 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000171611974 1425758632 /nfs/dbraw/zinc/75/86/32/1425758632.db2.gz NZCDGWXIXPOFQD-NRFANRHFSA-N 2 0 386.584 3.113 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620332 1425760375 /nfs/dbraw/zinc/76/03/75/1425760375.db2.gz HJLYNEHWQLBVGU-RTBURBONSA-N 2 0 378.586 3.401 20 0 GGADRP CC1(C)CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000171644892 1425770291 /nfs/dbraw/zinc/77/02/91/1425770291.db2.gz OOVACSRJIBNMGZ-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000171662244 1425780167 /nfs/dbraw/zinc/78/01/67/1425780167.db2.gz VMXDKVUANLVJHK-QFIPXVFZSA-N 2 0 386.584 3.318 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171662298 1425780187 /nfs/dbraw/zinc/78/01/87/1425780187.db2.gz PBPIEVITECNTRL-QFIPXVFZSA-N 2 0 384.568 3.168 20 0 GGADRP COc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000171896919 1425846774 /nfs/dbraw/zinc/84/67/74/1425846774.db2.gz SLFJKEJSXGIHHB-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000172123668 1425905414 /nfs/dbraw/zinc/90/54/14/1425905414.db2.gz LSHGMFSSUXITFN-SFHVURJKSA-N 2 0 384.568 3.386 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000172184881 1425938597 /nfs/dbraw/zinc/93/85/97/1425938597.db2.gz WEUROYYPABNYKM-GOSISDBHSA-N 2 0 383.458 3.171 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000172245106 1425963376 /nfs/dbraw/zinc/96/33/76/1425963376.db2.gz HXDNNKCBPHVISJ-QFIPXVFZSA-N 2 0 380.536 3.245 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1)C(C)C ZINC000172461103 1426049399 /nfs/dbraw/zinc/04/93/99/1426049399.db2.gz DDCLGKCYRBTSSN-UHFFFAOYSA-N 2 0 387.568 3.101 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172514274 1426066769 /nfs/dbraw/zinc/06/67/69/1426066769.db2.gz HBCBXDDCJCULOM-FQEVSTJZSA-N 2 0 388.556 3.467 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172542610 1426080295 /nfs/dbraw/zinc/08/02/95/1426080295.db2.gz NZLGMTBRLAHLBO-UHFFFAOYSA-N 2 0 384.568 3.095 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172544365 1426080877 /nfs/dbraw/zinc/08/08/77/1426080877.db2.gz IIADMUGKARGSIR-PMACEKPBSA-N 2 0 378.605 3.404 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccco1 ZINC000172569027 1426091879 /nfs/dbraw/zinc/09/18/79/1426091879.db2.gz NNQIKFVDQBUCME-IBGZPJMESA-N 2 0 376.545 3.322 20 0 GGADRP CCCOc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000172655413 1426129650 /nfs/dbraw/zinc/12/96/50/1426129650.db2.gz CRNKCAZSFHHAHS-GOSISDBHSA-N 2 0 376.545 3.355 20 0 GGADRP C(CN1CCC[NH+](C2CCCC2)CC1)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172659085 1426131111 /nfs/dbraw/zinc/13/11/11/1426131111.db2.gz NIVAMQDRIPRMEA-UHFFFAOYSA-N 2 0 376.633 3.277 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172694749 1426147203 /nfs/dbraw/zinc/14/72/03/1426147203.db2.gz ISNSWGOCIZZTDV-LJQANCHMSA-N 2 0 384.568 3.167 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000173323579 1426505817 /nfs/dbraw/zinc/50/58/17/1426505817.db2.gz GZKORVOZBUCXRA-JTHBVZDNSA-N 2 0 394.563 3.453 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325712 1426507121 /nfs/dbraw/zinc/50/71/21/1426507121.db2.gz MQZBDORQPDUTDS-QRVBRYPASA-N 2 0 395.613 3.346 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325121 1426507156 /nfs/dbraw/zinc/50/71/56/1426507156.db2.gz IBSBIEDMYHNRCT-ROUUACIJSA-N 2 0 381.586 3.100 20 0 GGADRP CSc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000173366584 1426539775 /nfs/dbraw/zinc/53/97/75/1426539775.db2.gz DMHCONFYSNNRBF-KRWDZBQOSA-N 2 0 384.549 3.193 20 0 GGADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000173367721 1426540614 /nfs/dbraw/zinc/54/06/14/1426540614.db2.gz UCUBENFNVWSLRK-UHFFFAOYSA-N 2 0 397.947 3.492 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446037 1426625627 /nfs/dbraw/zinc/62/56/27/1426625627.db2.gz INCRHTVDXMADGM-HNNXBMFYSA-N 2 0 392.341 3.385 20 0 GGADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173503326 1426672794 /nfs/dbraw/zinc/67/27/94/1426672794.db2.gz IHGTUJXCRJZXAL-HSZRJFAPSA-N 2 0 399.579 3.145 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570899 1426738321 /nfs/dbraw/zinc/73/83/21/1426738321.db2.gz VLWMVKSIKDOLFV-PMACEKPBSA-N 2 0 387.568 3.267 20 0 GGADRP C(=C/CN1CC[C@H](C[NH+]2CCCCC2)C1)\CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173602958 1426774211 /nfs/dbraw/zinc/77/42/11/1426774211.db2.gz IDIBDCILPUSWHZ-QQDBUXDWSA-N 2 0 388.644 3.158 20 0 GGADRP C[C@@H](CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000173615593 1426794277 /nfs/dbraw/zinc/79/42/77/1426794277.db2.gz SVZSEFGTEOKXFK-FQEVSTJZSA-N 2 0 387.568 3.048 20 0 GGADRP COc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000173643450 1426807927 /nfs/dbraw/zinc/80/79/27/1426807927.db2.gz UBDYOSQVBBWBDJ-QFIPXVFZSA-N 2 0 387.568 3.459 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000173934975 1426898669 /nfs/dbraw/zinc/89/86/69/1426898669.db2.gz YVZDFKVVYQCBEA-HXUWFJFHSA-N 2 0 385.552 3.211 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000173934986 1426898770 /nfs/dbraw/zinc/89/87/70/1426898770.db2.gz YVZDFKVVYQCBEA-FQEVSTJZSA-N 2 0 385.552 3.211 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCC1)c1ccccc1 ZINC000173949301 1426905553 /nfs/dbraw/zinc/90/55/53/1426905553.db2.gz NDXHSUVLXDWNIE-SFHVURJKSA-N 2 0 398.555 3.230 20 0 GGADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173960632 1426911153 /nfs/dbraw/zinc/91/11/53/1426911153.db2.gz LBUGIDXQBHVBBO-UHFFFAOYSA-N 2 0 387.568 3.149 20 0 GGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173963116 1426912905 /nfs/dbraw/zinc/91/29/05/1426912905.db2.gz JRFCDQFVEDHQCX-IBGZPJMESA-N 2 0 395.588 3.210 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000173964244 1426913227 /nfs/dbraw/zinc/91/32/27/1426913227.db2.gz QYSWTEDGNFFEOF-LEWJYISDSA-N 2 0 384.568 3.024 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000174119183 1427009947 /nfs/dbraw/zinc/00/99/47/1427009947.db2.gz PYEOEXYQJXCAOF-OAQYLSRUSA-N 2 0 390.547 3.306 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000174155340 1427024040 /nfs/dbraw/zinc/02/40/40/1427024040.db2.gz JMJKMXSQMQFYKK-OAQYLSRUSA-N 2 0 381.451 3.367 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157084 1427024512 /nfs/dbraw/zinc/02/45/12/1427024512.db2.gz PPVQWHYHNHNDER-PKOBYXMFSA-N 2 0 378.586 3.258 20 0 GGADRP CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174185268 1427037917 /nfs/dbraw/zinc/03/79/17/1427037917.db2.gz GLYXPUWCCKABNU-JOCHJYFZSA-N 2 0 384.568 3.167 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174217115 1427055188 /nfs/dbraw/zinc/05/51/88/1427055188.db2.gz OSHBRCKVFLXDBT-IBGZPJMESA-N 2 0 390.597 3.087 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174217097 1427055428 /nfs/dbraw/zinc/05/54/28/1427055428.db2.gz OSHBRCKVFLXDBT-LJQANCHMSA-N 2 0 390.597 3.087 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174217656 1427056028 /nfs/dbraw/zinc/05/60/28/1427056028.db2.gz IFBKMLUDAIFCEG-RTBURBONSA-N 2 0 390.597 3.087 20 0 GGADRP CCc1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000174240151 1427065029 /nfs/dbraw/zinc/06/50/29/1427065029.db2.gz PWOYJICHSHZRKR-UHFFFAOYSA-N 2 0 384.520 3.432 20 0 GGADRP c1ccc(-c2noc(CCC[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000174241159 1427065526 /nfs/dbraw/zinc/06/55/26/1427065526.db2.gz LZPOSIYCYAOBBY-UHFFFAOYSA-N 2 0 384.524 3.246 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174267568 1427077009 /nfs/dbraw/zinc/07/70/09/1427077009.db2.gz WOBLQIISGYJEGI-VQTJNVASSA-N 2 0 384.568 3.339 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000174281003 1427082992 /nfs/dbraw/zinc/08/29/92/1427082992.db2.gz BPNWAHFOUIDNIZ-UHFFFAOYSA-N 2 0 399.579 3.050 20 0 GGADRP CC(C)[NH+](CCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C(C)C ZINC000174352441 1427116039 /nfs/dbraw/zinc/11/60/39/1427116039.db2.gz RWUPXZAXIATGGB-UHFFFAOYSA-N 2 0 378.561 3.394 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000174602757 1427253543 /nfs/dbraw/zinc/25/35/43/1427253543.db2.gz KAIXRPYGDUPGNF-OALUTQOASA-N 2 0 387.568 3.032 20 0 GGADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000174635733 1427279461 /nfs/dbraw/zinc/27/94/61/1427279461.db2.gz WNRBLLFUMOENHE-FQEVSTJZSA-N 2 0 399.583 3.215 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000174862477 1427414937 /nfs/dbraw/zinc/41/49/37/1427414937.db2.gz STZCOZPLEAUHOK-IBGZPJMESA-N 2 0 396.645 3.111 20 0 GGADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000175011711 1427496792 /nfs/dbraw/zinc/49/67/92/1427496792.db2.gz DWHLSQMDVGRNHF-MOPGFXCFSA-N 2 0 384.524 3.211 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000175060065 1427525086 /nfs/dbraw/zinc/52/50/86/1427525086.db2.gz CPHFYSRAUSSUNG-HSZRJFAPSA-N 2 0 398.595 3.257 20 0 GGADRP C[C@@H](CCNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000175202673 1427597486 /nfs/dbraw/zinc/59/74/86/1427597486.db2.gz BQJZNAXRUBQSJU-IBGZPJMESA-N 2 0 382.552 3.458 20 0 GGADRP C[C@H](CCNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000175202689 1427597525 /nfs/dbraw/zinc/59/75/25/1427597525.db2.gz BQJZNAXRUBQSJU-LJQANCHMSA-N 2 0 382.552 3.458 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000175354876 1427701367 /nfs/dbraw/zinc/70/13/67/1427701367.db2.gz JOWUIAXLMGRJDV-FQEVSTJZSA-N 2 0 386.584 3.413 20 0 GGADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000175404786 1427735668 /nfs/dbraw/zinc/73/56/68/1427735668.db2.gz WDASQGAZGNMXSU-QGZVFWFLSA-N 2 0 380.508 3.104 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175418376 1427744267 /nfs/dbraw/zinc/74/42/67/1427744267.db2.gz MJBJQHXUSFQLCI-PGRDOPGGSA-N 2 0 384.568 3.213 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000175631830 1427838179 /nfs/dbraw/zinc/83/81/79/1427838179.db2.gz BEOJWBOSOIACTF-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175632440 1427838363 /nfs/dbraw/zinc/83/83/63/1427838363.db2.gz STNZSXQEGHTJMS-CEMLEFRQSA-N 2 0 384.568 3.167 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)ccc1Cl ZINC000175671131 1427851489 /nfs/dbraw/zinc/85/14/89/1427851489.db2.gz QKUWSGWJDRVFMC-OAHLLOKOSA-N 2 0 382.936 3.228 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)ccc1Cl ZINC000175671152 1427851516 /nfs/dbraw/zinc/85/15/16/1427851516.db2.gz QKUWSGWJDRVFMC-HNNXBMFYSA-N 2 0 382.936 3.228 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175761726 1427882564 /nfs/dbraw/zinc/88/25/64/1427882564.db2.gz AWFDXQCWVUAEDB-VQTJNVASSA-N 2 0 390.572 3.079 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175761767 1427882649 /nfs/dbraw/zinc/88/26/49/1427882649.db2.gz ZAWWIYBAVDGCAJ-PMACEKPBSA-N 2 0 390.572 3.079 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175761688 1427882787 /nfs/dbraw/zinc/88/27/87/1427882787.db2.gz AWFDXQCWVUAEDB-PMACEKPBSA-N 2 0 390.572 3.079 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000175765777 1427884216 /nfs/dbraw/zinc/88/42/16/1427884216.db2.gz PBCHHXNSNHUAAG-LJQANCHMSA-N 2 0 387.568 3.288 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000175816064 1427907276 /nfs/dbraw/zinc/90/72/76/1427907276.db2.gz PYPHHLDCFJGSHQ-HSZRJFAPSA-N 2 0 394.563 3.282 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175971647 1428006142 /nfs/dbraw/zinc/00/61/42/1428006142.db2.gz VFVZZULCFAQKLI-WOJBJXKFSA-N 2 0 386.584 3.413 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176015764 1428028286 /nfs/dbraw/zinc/02/82/86/1428028286.db2.gz HMQOTIMDUSEVBO-OAQYLSRUSA-N 2 0 376.589 3.205 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CCSC)cc1 ZINC000176022537 1428031626 /nfs/dbraw/zinc/03/16/26/1428031626.db2.gz BPAFQAYMYNSWPK-FQEVSTJZSA-N 2 0 392.613 3.472 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000176146358 1428117144 /nfs/dbraw/zinc/11/71/44/1428117144.db2.gz VZNXZSORJDMRNS-NRFANRHFSA-N 2 0 399.510 3.047 20 0 GGADRP Cc1cnc(NC2CC[NH+](CC3CC3)CC2)nc1NC1CC[NH+](CC2CC2)CC1 ZINC000176237665 1428185665 /nfs/dbraw/zinc/18/56/65/1428185665.db2.gz NJGJPKYILDEVOM-UHFFFAOYSA-N 2 0 398.599 3.358 20 0 GGADRP Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000176248315 1428194361 /nfs/dbraw/zinc/19/43/61/1428194361.db2.gz QKLYXCIKEMUTIB-UHFFFAOYSA-N 2 0 391.462 3.178 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CC3 ZINC000180266835 1429819012 /nfs/dbraw/zinc/81/90/12/1429819012.db2.gz QGFPMNRUGZROJX-LJQANCHMSA-N 2 0 389.547 3.270 20 0 GGADRP C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180289531 1429826101 /nfs/dbraw/zinc/82/61/01/1429826101.db2.gz KXXQGCXEIJDGJL-IBGZPJMESA-N 2 0 387.572 3.061 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180301959 1429830334 /nfs/dbraw/zinc/83/03/34/1429830334.db2.gz ZOHDXCWBFUEBFA-BJLQDIEVSA-N 2 0 388.556 3.369 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000180350785 1429842906 /nfs/dbraw/zinc/84/29/06/1429842906.db2.gz QPYNYKLULTVWBS-UHFFFAOYSA-N 2 0 387.572 3.204 20 0 GGADRP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000180394258 1429855961 /nfs/dbraw/zinc/85/59/61/1429855961.db2.gz QWYANEZDFCUOAF-LJQANCHMSA-N 2 0 387.572 3.061 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000180424490 1429865490 /nfs/dbraw/zinc/86/54/90/1429865490.db2.gz MKHQYQNQZKLLLO-PZJWPPBQSA-N 2 0 387.572 3.202 20 0 GGADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180459414 1429874322 /nfs/dbraw/zinc/87/43/22/1429874322.db2.gz MKPKLOSEFBDULB-JOCHJYFZSA-N 2 0 386.561 3.419 20 0 GGADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180665363 1429963899 /nfs/dbraw/zinc/96/38/99/1429963899.db2.gz RVCZBPNWIQCOJW-HXUWFJFHSA-N 2 0 390.597 3.082 20 0 GGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180748406 1430016290 /nfs/dbraw/zinc/01/62/90/1430016290.db2.gz LSVLMCAXUNGMHK-QHCPKHFHSA-N 2 0 399.579 3.002 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180749000 1430016461 /nfs/dbraw/zinc/01/64/61/1430016461.db2.gz YAZCYLLYHFNOBK-QFIPXVFZSA-N 2 0 387.568 3.030 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180771280 1430030514 /nfs/dbraw/zinc/03/05/14/1430030514.db2.gz DRUNDAGREKHTTG-OXJNMPFZSA-N 2 0 385.483 3.222 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180771300 1430030613 /nfs/dbraw/zinc/03/06/13/1430030613.db2.gz DRUNDAGREKHTTG-OXQOHEQNSA-N 2 0 385.483 3.222 20 0 GGADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)no1 ZINC000180785533 1430038745 /nfs/dbraw/zinc/03/87/45/1430038745.db2.gz DSWFKCMDFNSBFD-WIYYLYMNSA-N 2 0 382.508 3.406 20 0 GGADRP COc1cc(OC)c(OC)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180797570 1430045785 /nfs/dbraw/zinc/04/57/85/1430045785.db2.gz OZQLTHQOLITOCQ-UHFFFAOYSA-N 2 0 392.540 3.037 20 0 GGADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000180796872 1430045933 /nfs/dbraw/zinc/04/59/33/1430045933.db2.gz JDVIIHOZMDLCGV-UHFFFAOYSA-N 2 0 382.552 3.412 20 0 GGADRP COCOc1ccc(OC)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180797517 1430045989 /nfs/dbraw/zinc/04/59/89/1430045989.db2.gz IXVZFTSEEPWAAQ-UHFFFAOYSA-N 2 0 392.540 3.002 20 0 GGADRP COCCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180798013 1430046515 /nfs/dbraw/zinc/04/65/15/1430046515.db2.gz MPLWMLVTWVBMQR-UHFFFAOYSA-N 2 0 376.541 3.036 20 0 GGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000180837743 1430064250 /nfs/dbraw/zinc/06/42/50/1430064250.db2.gz ZTQVCTODZXLDPH-TZJYRCSTSA-N 2 0 395.588 3.180 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@H]1COC2(CCCCC2)O1)C1CC[NH+](C)CC1 ZINC000180932858 1430122025 /nfs/dbraw/zinc/12/20/25/1430122025.db2.gz WVOAKKGBXGJBSO-NRFANRHFSA-N 2 0 387.568 3.382 20 0 GGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000180975205 1430146072 /nfs/dbraw/zinc/14/60/72/1430146072.db2.gz UBMMXGRMNBAXAO-OAHLLOKOSA-N 2 0 386.565 3.436 20 0 GGADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000180975360 1430146338 /nfs/dbraw/zinc/14/63/38/1430146338.db2.gz QPQJTVBMTKIVMI-LJQANCHMSA-N 2 0 398.576 3.444 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000181000038 1430160002 /nfs/dbraw/zinc/16/00/02/1430160002.db2.gz NWZUQQCERFUJRD-CYBMUJFWSA-N 2 0 379.426 3.246 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000180999550 1430160359 /nfs/dbraw/zinc/16/03/59/1430160359.db2.gz LDOSPGSXKOOMIB-HXUWFJFHSA-N 2 0 385.483 3.121 20 0 GGADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000181001124 1430161712 /nfs/dbraw/zinc/16/17/12/1430161712.db2.gz MHHFQFYFSQRMIA-QGZVFWFLSA-N 2 0 386.565 3.164 20 0 GGADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCN3c4ccccc4OCC3=O)CC2)C1 ZINC000181154295 1430229958 /nfs/dbraw/zinc/22/99/58/1430229958.db2.gz SSXDUKPAFLZOLD-ICSRJNTNSA-N 2 0 385.552 3.435 20 0 GGADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCN3c4ccccc4OCC3=O)CC2)C1 ZINC000181154339 1430229993 /nfs/dbraw/zinc/22/99/93/1430229993.db2.gz SSXDUKPAFLZOLD-AZUAARDMSA-N 2 0 385.552 3.435 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000181288185 1430263366 /nfs/dbraw/zinc/26/33/66/1430263366.db2.gz DCHVEVSJNTUGGX-SYYKKAFVSA-N 2 0 384.568 3.165 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000181289498 1430263937 /nfs/dbraw/zinc/26/39/37/1430263937.db2.gz OBKTWOKHYMPSQH-UHFFFAOYSA-N 2 0 388.556 3.105 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181305053 1430268078 /nfs/dbraw/zinc/26/80/78/1430268078.db2.gz JWWYZHFSOMVIAC-LJQANCHMSA-N 2 0 395.551 3.118 20 0 GGADRP O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181369183 1430282946 /nfs/dbraw/zinc/28/29/46/1430282946.db2.gz ZJZYRCIPJPFLLD-IBGZPJMESA-N 2 0 383.536 3.261 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412701 1430291486 /nfs/dbraw/zinc/29/14/86/1430291486.db2.gz ROLYHLWVFCOVCQ-HBGVWJBISA-N 2 0 387.524 3.062 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412746 1430291812 /nfs/dbraw/zinc/29/18/12/1430291812.db2.gz ROLYHLWVFCOVCQ-CZAAIQMYSA-N 2 0 387.524 3.062 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181507133 1430312184 /nfs/dbraw/zinc/31/21/84/1430312184.db2.gz ORAANXLAQBMZGJ-ZWKOTPCHSA-N 2 0 381.520 3.212 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC(F)(F)F)CC1 ZINC000181627479 1430330202 /nfs/dbraw/zinc/33/02/02/1430330202.db2.gz ARQOWCPETSMRQU-AWEZNQCLSA-N 2 0 377.426 3.197 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000181630719 1430330866 /nfs/dbraw/zinc/33/08/66/1430330866.db2.gz CIZJMILFTGXFAJ-RXVVDRJESA-N 2 0 385.527 3.222 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000181630703 1430330959 /nfs/dbraw/zinc/33/09/59/1430330959.db2.gz CIZJMILFTGXFAJ-NQIIRXRSSA-N 2 0 385.527 3.222 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000181630668 1430330983 /nfs/dbraw/zinc/33/09/83/1430330983.db2.gz CIZJMILFTGXFAJ-WIYYLYMNSA-N 2 0 385.527 3.222 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000181629532 1430331084 /nfs/dbraw/zinc/33/10/84/1430331084.db2.gz BISGLTHZITUBBB-SJORKVTESA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000181636015 1430332379 /nfs/dbraw/zinc/33/23/79/1430332379.db2.gz LXWYVSOPNJTOQA-OPAMFIHVSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)CC1 ZINC000181641743 1430333280 /nfs/dbraw/zinc/33/32/80/1430333280.db2.gz NIDJMJPHCKIAID-QGZVFWFLSA-N 2 0 398.526 3.178 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)NC2CCCC2)CC1 ZINC000181642996 1430333712 /nfs/dbraw/zinc/33/37/12/1430333712.db2.gz PGOHMTOIYZCOOJ-QGZVFWFLSA-N 2 0 390.547 3.067 20 0 GGADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000181664043 1430337927 /nfs/dbraw/zinc/33/79/27/1430337927.db2.gz DFTKFVSJZFPXPW-QHGAOEGBSA-N 2 0 393.597 3.288 20 0 GGADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000181664197 1430337997 /nfs/dbraw/zinc/33/79/97/1430337997.db2.gz VTIQHAVEOBVALL-QHGAOEGBSA-N 2 0 393.597 3.288 20 0 GGADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C12CCCCC2 ZINC000181670296 1430339000 /nfs/dbraw/zinc/33/90/00/1430339000.db2.gz CRPNWEAVOWQHOB-RTWAWAEBSA-N 2 0 387.568 3.196 20 0 GGADRP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000181703340 1430344142 /nfs/dbraw/zinc/34/41/42/1430344142.db2.gz ZKSNUTLYUIDPKM-UNMCSNQZSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@@H](CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000181703381 1430344160 /nfs/dbraw/zinc/34/41/60/1430344160.db2.gz ZKSNUTLYUIDPKM-RBBKRZOGSA-N 2 0 386.584 3.115 20 0 GGADRP CN(C)C(=O)N1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000181840463 1430370487 /nfs/dbraw/zinc/37/04/87/1430370487.db2.gz UTRCXVQIDWBSQC-UHFFFAOYSA-N 2 0 384.524 3.147 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000181906996 1430381394 /nfs/dbraw/zinc/38/13/94/1430381394.db2.gz LDYUZQYOHIQCFR-LJQANCHMSA-N 2 0 388.556 3.357 20 0 GGADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031372 1430399189 /nfs/dbraw/zinc/39/91/89/1430399189.db2.gz IVXWAQABVSORIR-MOPGFXCFSA-N 2 0 387.572 3.171 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000182066775 1430405009 /nfs/dbraw/zinc/40/50/09/1430405009.db2.gz TZZMVSZWFSTDTD-QGZVFWFLSA-N 2 0 381.520 3.453 20 0 GGADRP CO[C@]1(C)C[C@@H]([N@H+](C)CC2(C[NH+](C)[C@H]3C[C@@](C)(OC)C3(C)C)COC2)C1(C)C ZINC000182205204 1430429902 /nfs/dbraw/zinc/42/99/02/1430429902.db2.gz JSMLUQMHMHVNHK-GMQQQROESA-N 2 0 396.616 3.274 20 0 GGADRP Cc1cc(F)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000182234690 1430434625 /nfs/dbraw/zinc/43/46/25/1430434625.db2.gz SXMGHQYXNCCIIW-UHFFFAOYSA-N 2 0 375.532 3.338 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235437 1430434650 /nfs/dbraw/zinc/43/46/50/1430434650.db2.gz BRWLWVHTOQOPDS-OYBFMBOMSA-N 2 0 386.561 3.232 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000182268552 1430439985 /nfs/dbraw/zinc/43/99/85/1430439985.db2.gz QGLUALXMFYLDRM-JPYJTQIMSA-N 2 0 376.504 3.290 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182302337 1430445074 /nfs/dbraw/zinc/44/50/74/1430445074.db2.gz SGUIEGBXNZQKMC-IRLDBZIGSA-N 2 0 384.568 3.085 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182363473 1430453717 /nfs/dbraw/zinc/45/37/17/1430453717.db2.gz BRESNHLXKXOMQT-CDXJDZJCSA-N 2 0 390.547 3.381 20 0 GGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182407179 1430462092 /nfs/dbraw/zinc/46/20/92/1430462092.db2.gz IRVZCTBEJWLUBK-UXHICEINSA-N 2 0 378.605 3.451 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182440192 1430468241 /nfs/dbraw/zinc/46/82/41/1430468241.db2.gz MRLOXZCZVKQNOF-OALUTQOASA-N 2 0 375.557 3.052 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182440229 1430468252 /nfs/dbraw/zinc/46/82/52/1430468252.db2.gz MRLOXZCZVKQNOF-RBUKOAKNSA-N 2 0 375.557 3.052 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182443118 1430468621 /nfs/dbraw/zinc/46/86/21/1430468621.db2.gz RLJIASFWSZFHCM-LEWJYISDSA-N 2 0 378.582 3.364 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000182537625 1430486171 /nfs/dbraw/zinc/48/61/71/1430486171.db2.gz TZMMTPJVQLDYJM-AABGKKOBSA-N 2 0 396.620 3.026 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182632600 1430506182 /nfs/dbraw/zinc/50/61/82/1430506182.db2.gz RNEGHJQYKFLIAE-CVDCTZTESA-N 2 0 379.552 3.156 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633470 1430506306 /nfs/dbraw/zinc/50/63/06/1430506306.db2.gz OEXPTPMYNZOSEU-QUCCMNQESA-N 2 0 396.620 3.028 20 0 GGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000182634972 1430506754 /nfs/dbraw/zinc/50/67/54/1430506754.db2.gz ZTWGYCJPLGLTCT-SVFBPWRDSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000182690235 1430517854 /nfs/dbraw/zinc/51/78/54/1430517854.db2.gz HNWSVRCFNIPQBH-SFHVURJKSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@@H](CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000182712830 1430524416 /nfs/dbraw/zinc/52/44/16/1430524416.db2.gz YSCGEGDFXBWAHU-RBBKRZOGSA-N 2 0 386.584 3.414 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1C[NH+]1CCCCC1 ZINC000182776574 1430538230 /nfs/dbraw/zinc/53/82/30/1430538230.db2.gz GBZAODOCQGVHHB-UZLBHIALSA-N 2 0 383.540 3.247 20 0 GGADRP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856896 1430554888 /nfs/dbraw/zinc/55/48/88/1430554888.db2.gz TVPOXAKYTNPZJL-RTBURBONSA-N 2 0 376.589 3.299 20 0 GGADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000182884735 1430561988 /nfs/dbraw/zinc/56/19/88/1430561988.db2.gz ROIHWAOJMNLHLO-VQTJNVASSA-N 2 0 399.000 3.497 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896395 1430565084 /nfs/dbraw/zinc/56/50/84/1430565084.db2.gz SVYJDZDBRVXSLN-ZJOUEHCJSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896348 1430565252 /nfs/dbraw/zinc/56/52/52/1430565252.db2.gz SVYJDZDBRVXSLN-ZVDOUQERSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182913985 1430570006 /nfs/dbraw/zinc/57/00/06/1430570006.db2.gz TUBUGNKQHRJHOS-ZWKOTPCHSA-N 2 0 392.613 3.474 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930850 1430574557 /nfs/dbraw/zinc/57/45/57/1430574557.db2.gz HDRURKBZHWHPGZ-ROUUACIJSA-N 2 0 376.545 3.006 20 0 GGADRP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182951647 1430579269 /nfs/dbraw/zinc/57/92/69/1430579269.db2.gz XGUFRQSXJWUFNH-IBGZPJMESA-N 2 0 387.568 3.400 20 0 GGADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000182951878 1430579453 /nfs/dbraw/zinc/57/94/53/1430579453.db2.gz DYGBNWKCQIETNU-HXUWFJFHSA-N 2 0 387.568 3.455 20 0 GGADRP CC(C)n1ncc2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cnc21 ZINC000182961552 1430581175 /nfs/dbraw/zinc/58/11/75/1430581175.db2.gz XJNVUYUBLUQCHT-UHFFFAOYSA-N 2 0 385.556 3.337 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)ccc1OC ZINC000182967525 1430582310 /nfs/dbraw/zinc/58/23/10/1430582310.db2.gz IEIWQMZOWMIHIT-SFHVURJKSA-N 2 0 377.573 3.298 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183000122 1430589269 /nfs/dbraw/zinc/58/92/69/1430589269.db2.gz UXDZFJVZWNGRBG-PMACEKPBSA-N 2 0 389.584 3.300 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183000179 1430589285 /nfs/dbraw/zinc/58/92/85/1430589285.db2.gz UXDZFJVZWNGRBG-WOJBJXKFSA-N 2 0 389.584 3.300 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1C[NH+]1CCCCC1 ZINC000183133684 1430623872 /nfs/dbraw/zinc/62/38/72/1430623872.db2.gz JUUGNAMTGHRESF-IRXDYDNUSA-N 2 0 382.570 3.155 20 0 GGADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183132472 1430624242 /nfs/dbraw/zinc/62/42/42/1430624242.db2.gz LWBQWVVOSHSCHH-RJGXRXQPSA-N 2 0 377.532 3.437 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138699 1430626050 /nfs/dbraw/zinc/62/60/50/1430626050.db2.gz FYRTVKQEWXDYRP-DSNGMDLFSA-N 3 0 398.639 3.150 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183189185 1430643055 /nfs/dbraw/zinc/64/30/55/1430643055.db2.gz YTOCVRUREQPYNL-YQVWRLOYSA-N 2 0 393.597 3.241 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000183191325 1430643471 /nfs/dbraw/zinc/64/34/71/1430643471.db2.gz NTQOREFCAJXEKV-SOLBZPMBSA-N 2 0 379.570 3.362 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226451 1430652531 /nfs/dbraw/zinc/65/25/31/1430652531.db2.gz SUVKOIXCISOPSO-IRXDYDNUSA-N 2 0 377.529 3.275 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226780 1430653254 /nfs/dbraw/zinc/65/32/54/1430653254.db2.gz XKBKRVZUAPKYFD-IAGOWNOFSA-N 2 0 375.513 3.044 20 0 GGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000183257040 1430661690 /nfs/dbraw/zinc/66/16/90/1430661690.db2.gz INFANNXDWMMKGL-LJQANCHMSA-N 2 0 386.561 3.351 20 0 GGADRP Fc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OCC(F)(F)F ZINC000183265798 1430664807 /nfs/dbraw/zinc/66/48/07/1430664807.db2.gz YHZZHBPGIFAQIJ-UHFFFAOYSA-N 2 0 390.421 3.311 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)CC1 ZINC000183376423 1430694640 /nfs/dbraw/zinc/69/46/40/1430694640.db2.gz SJVVISBRHXMHLZ-GKYDQMIMSA-N 2 0 376.589 3.155 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000183394580 1430700457 /nfs/dbraw/zinc/70/04/57/1430700457.db2.gz AQEJQKPAGNLUMY-SFHVURJKSA-N 2 0 375.557 3.494 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000183504472 1430730200 /nfs/dbraw/zinc/73/02/00/1430730200.db2.gz VYQXIZNJCCTOCM-CJNGLKHVSA-N 2 0 395.569 3.190 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183775332 1430791371 /nfs/dbraw/zinc/79/13/71/1430791371.db2.gz LNUNWKKCCHNMLR-PKOBYXMFSA-N 2 0 383.577 3.255 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000183952190 1430817595 /nfs/dbraw/zinc/81/75/95/1430817595.db2.gz FTLFZZSSTDIXIV-INIZCTEOSA-N 2 0 377.529 3.133 20 0 GGADRP Cc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c(OCC[NH+](C)C)c1 ZINC000184035577 1430832538 /nfs/dbraw/zinc/83/25/38/1430832538.db2.gz PUZYPDRNXLFHRR-UHFFFAOYSA-N 2 0 376.545 3.179 20 0 GGADRP COc1ccc([C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000184628053 1430923589 /nfs/dbraw/zinc/92/35/89/1430923589.db2.gz SGKRDELRPQSXSQ-JTHBVZDNSA-N 2 0 381.520 3.155 20 0 GGADRP O=C1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000184670688 1430937722 /nfs/dbraw/zinc/93/77/22/1430937722.db2.gz YKSNBGJCLBUYRV-BRWVUGGUSA-N 2 0 381.442 3.023 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184672318 1430938082 /nfs/dbraw/zinc/93/80/82/1430938082.db2.gz IBTPXJLTSRPOOM-SZXPJGKVSA-N 2 0 383.458 3.125 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000184752428 1430965825 /nfs/dbraw/zinc/96/58/25/1430965825.db2.gz GKUUVJRIYJBCDW-OPYAIIAOSA-N 2 0 386.511 3.312 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)CC1 ZINC000184888027 1431013315 /nfs/dbraw/zinc/01/33/15/1431013315.db2.gz YIHCUDNSSFNYCT-UHFFFAOYSA-N 2 0 399.583 3.311 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[NH+]3CCC(C)CC3)c2)CC1 ZINC000184897822 1431016111 /nfs/dbraw/zinc/01/61/11/1431016111.db2.gz AJVQTIMSURYTSJ-UHFFFAOYSA-N 2 0 387.572 3.072 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000184908005 1431018795 /nfs/dbraw/zinc/01/87/95/1431018795.db2.gz DSPAOFOCCSGBPV-UHFFFAOYSA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)CC1 ZINC000184918112 1431020717 /nfs/dbraw/zinc/02/07/17/1431020717.db2.gz IOCRZAWWSYZZSU-UHFFFAOYSA-N 2 0 387.572 3.259 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)c2)CC1 ZINC000184923436 1431022190 /nfs/dbraw/zinc/02/21/90/1431022190.db2.gz RYVDOTIQHBTCTA-UHFFFAOYSA-N 2 0 395.551 3.212 20 0 GGADRP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000185147992 1431072477 /nfs/dbraw/zinc/07/24/77/1431072477.db2.gz AJNMHTYXRJRVPZ-PMACEKPBSA-N 2 0 396.620 3.028 20 0 GGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1(C)C ZINC000185223007 1431088449 /nfs/dbraw/zinc/08/84/49/1431088449.db2.gz VPAHZDDEQDMTTO-PWRODBHTSA-N 2 0 387.568 3.066 20 0 GGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1(C)C ZINC000185242735 1431092120 /nfs/dbraw/zinc/09/21/20/1431092120.db2.gz SHEZUKZECIFXMQ-LEWJYISDSA-N 2 0 387.568 3.194 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000185302967 1431105946 /nfs/dbraw/zinc/10/59/46/1431105946.db2.gz NXIGZQYCPWFJRS-NDXORKPFSA-N 2 0 378.532 3.370 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1O ZINC000185352781 1431123204 /nfs/dbraw/zinc/12/32/04/1431123204.db2.gz IKKABTSCECRCOF-AWEZNQCLSA-N 2 0 384.362 3.079 20 0 GGADRP CC[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185472792 1431152993 /nfs/dbraw/zinc/15/29/93/1431152993.db2.gz NZZWJGVENZSEAJ-QFIPXVFZSA-N 2 0 384.568 3.167 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185670633 1431201674 /nfs/dbraw/zinc/20/16/74/1431201674.db2.gz GJIBBEVWCVZSII-NRSPTQNISA-N 2 0 396.597 3.026 20 0 GGADRP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691004 1431207150 /nfs/dbraw/zinc/20/71/50/1431207150.db2.gz SLXIXBUFNKTDGH-ROUUACIJSA-N 2 0 383.536 3.305 20 0 GGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761162 1431227183 /nfs/dbraw/zinc/22/71/83/1431227183.db2.gz FYDFOTOHFTWOOG-ZVDOUQERSA-N 2 0 384.568 3.257 20 0 GGADRP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000185877676 1431260256 /nfs/dbraw/zinc/26/02/56/1431260256.db2.gz OCTLKUZXLFPGLB-OAQYLSRUSA-N 2 0 396.579 3.393 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000185881652 1431262138 /nfs/dbraw/zinc/26/21/38/1431262138.db2.gz LXCZPSSVATXMHJ-INIZCTEOSA-N 2 0 383.964 3.253 20 0 GGADRP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000185904834 1431272724 /nfs/dbraw/zinc/27/27/24/1431272724.db2.gz CWPVBYBSTNTYOV-NRFANRHFSA-N 2 0 385.939 3.238 20 0 GGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186108547 1431331820 /nfs/dbraw/zinc/33/18/20/1431331820.db2.gz JPNAFTKIUYNLGJ-RBBKRZOGSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186273772 1431368492 /nfs/dbraw/zinc/36/84/92/1431368492.db2.gz CZTFYGXGHOSMJR-JOCHJYFZSA-N 2 0 386.584 3.270 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000186275588 1431368998 /nfs/dbraw/zinc/36/89/98/1431368998.db2.gz DLNKWTBPDROILM-VSKRKVRLSA-N 2 0 384.568 3.023 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000186281960 1431370946 /nfs/dbraw/zinc/37/09/46/1431370946.db2.gz GJRKXJMSRXGCRU-IFMALSPDSA-N 2 0 384.568 3.024 20 0 GGADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186324937 1431383047 /nfs/dbraw/zinc/38/30/47/1431383047.db2.gz GGNHHXIDQYOPMR-FGZHOGPDSA-N 2 0 387.568 3.082 20 0 GGADRP CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186852698 1431540562 /nfs/dbraw/zinc/54/05/62/1431540562.db2.gz WHDGZAYVKWPSPA-PCCBWWKXSA-N 2 0 378.582 3.092 20 0 GGADRP CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186852729 1431540698 /nfs/dbraw/zinc/54/06/98/1431540698.db2.gz WHDGZAYVKWPSPA-QHAWAJNXSA-N 2 0 378.582 3.092 20 0 GGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000186981672 1431582180 /nfs/dbraw/zinc/58/21/80/1431582180.db2.gz KPRPWXXLWNLNNU-CRAIPNDOSA-N 2 0 398.389 3.386 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CCS(=O)(=O)CC1 ZINC000187005648 1431587654 /nfs/dbraw/zinc/58/76/54/1431587654.db2.gz NQJMXZRYXZIVTN-MSOLQXFVSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000187010107 1431588610 /nfs/dbraw/zinc/58/86/10/1431588610.db2.gz ADVAKCONGOINCR-MSOLQXFVSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000187017169 1431591491 /nfs/dbraw/zinc/59/14/91/1431591491.db2.gz XZACIBBJGLGZFD-FHWLQOOXSA-N 2 0 392.609 3.467 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187134438 1431627179 /nfs/dbraw/zinc/62/71/79/1431627179.db2.gz JVJCNJWVLYDXCI-RDTXWAMCSA-N 2 0 398.473 3.092 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187174964 1431637981 /nfs/dbraw/zinc/63/79/81/1431637981.db2.gz BKNDZMFLMOHJCD-UHFFFAOYSA-N 2 0 394.563 3.405 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187207236 1431648472 /nfs/dbraw/zinc/64/84/72/1431648472.db2.gz QNIWQLMSVKDDPJ-UHFFFAOYSA-N 2 0 382.552 3.120 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000187256748 1431668400 /nfs/dbraw/zinc/66/84/00/1431668400.db2.gz BQOIXQRHNUAZFS-SUMWQHHRSA-N 2 0 386.462 3.090 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000187256711 1431668645 /nfs/dbraw/zinc/66/86/45/1431668645.db2.gz BQOIXQRHNUAZFS-GUYCJALGSA-N 2 0 386.462 3.090 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187449354 1431733729 /nfs/dbraw/zinc/73/37/29/1431733729.db2.gz YVJGDXAORVKWDD-ROUUACIJSA-N 2 0 398.473 3.188 20 0 GGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000188206351 1431860516 /nfs/dbraw/zinc/86/05/16/1431860516.db2.gz KAHMORCAFHYKMN-SFHVURJKSA-N 2 0 383.511 3.372 20 0 GGADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000188321881 1431873171 /nfs/dbraw/zinc/87/31/71/1431873171.db2.gz QYSBDQGKQGILEN-FQEVSTJZSA-N 2 0 386.584 3.257 20 0 GGADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000188809968 1431984210 /nfs/dbraw/zinc/98/42/10/1431984210.db2.gz WGDMHCKPSOAPEQ-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189050186 1432034613 /nfs/dbraw/zinc/03/46/13/1432034613.db2.gz OJYHEFJSQXXRJV-UHFFFAOYSA-N 2 0 382.483 3.301 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189057124 1432036235 /nfs/dbraw/zinc/03/62/35/1432036235.db2.gz URWZEAAZBNRKQT-QFIPXVFZSA-N 2 0 391.559 3.415 20 0 GGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2=O)cc1 ZINC000189082378 1432041474 /nfs/dbraw/zinc/04/14/74/1432041474.db2.gz VDHJRXIPNZWDNK-XXBNENTESA-N 2 0 395.547 3.387 20 0 GGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2=O)cc1 ZINC000189082335 1432041760 /nfs/dbraw/zinc/04/17/60/1432041760.db2.gz VDHJRXIPNZWDNK-CVDCTZTESA-N 2 0 395.547 3.387 20 0 GGADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100084 1432045068 /nfs/dbraw/zinc/04/50/68/1432045068.db2.gz SEOUAZKUKGAGJA-XXBNENTESA-N 2 0 395.547 3.387 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189205812 1432063149 /nfs/dbraw/zinc/06/31/49/1432063149.db2.gz KQHTYEATRUZCLR-CVDCTZTESA-N 2 0 399.579 3.047 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@@H](C)O1 ZINC000189519280 1432145408 /nfs/dbraw/zinc/14/54/08/1432145408.db2.gz YSWCQABGDLNMLA-HUUCEWRRSA-N 2 0 384.458 3.115 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519262 1432145611 /nfs/dbraw/zinc/14/56/11/1432145611.db2.gz YSWCQABGDLNMLA-GJZGRUSLSA-N 2 0 384.458 3.115 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000189578451 1432165116 /nfs/dbraw/zinc/16/51/16/1432165116.db2.gz RBNHTXJTFWQBOF-UHFFFAOYSA-N 2 0 385.512 3.302 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000190098173 1432319281 /nfs/dbraw/zinc/31/92/81/1432319281.db2.gz PIZIZCHZCWIOMF-LJQANCHMSA-N 2 0 376.545 3.324 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000190101916 1432319763 /nfs/dbraw/zinc/31/97/63/1432319763.db2.gz ZEYMAHLCLHDQSI-GOSISDBHSA-N 2 0 378.586 3.402 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000190364520 1432367584 /nfs/dbraw/zinc/36/75/84/1432367584.db2.gz OGKLYCPXJRHLHR-UHFFFAOYSA-N 2 0 392.975 3.260 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000190420101 1432378161 /nfs/dbraw/zinc/37/81/61/1432378161.db2.gz LKVCRBJDRXSLEF-QFIPXVFZSA-N 2 0 396.535 3.161 20 0 GGADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000190707092 1432449741 /nfs/dbraw/zinc/44/97/41/1432449741.db2.gz FLNMFVAJRUGJCO-UHFFFAOYSA-N 2 0 382.552 3.440 20 0 GGADRP CCN(C)c1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000190752361 1432467342 /nfs/dbraw/zinc/46/73/42/1432467342.db2.gz LNGLKYPBRDHTOE-JOCHJYFZSA-N 2 0 381.568 3.006 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000190778390 1432476038 /nfs/dbraw/zinc/47/60/38/1432476038.db2.gz FVSCWWARIBQSQL-UHFFFAOYSA-N 2 0 395.595 3.354 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190834500 1432500283 /nfs/dbraw/zinc/50/02/83/1432500283.db2.gz NXMLLQSRFPVIBV-HXUWFJFHSA-N 2 0 398.555 3.061 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190981131 1432542837 /nfs/dbraw/zinc/54/28/37/1432542837.db2.gz LMMXCNJJAMRMSU-DHIUTWEWSA-N 2 0 395.547 3.087 20 0 GGADRP Cc1c([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cnn1C(C)(C)C ZINC000191257811 1432608952 /nfs/dbraw/zinc/60/89/52/1432608952.db2.gz COFFRSNIVBBZJG-INIZCTEOSA-N 2 0 385.556 3.089 20 0 GGADRP COCCN(C)c1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191331050 1432634220 /nfs/dbraw/zinc/63/42/20/1432634220.db2.gz XFOCNRAEDCIIDR-PMACEKPBSA-N 2 0 396.579 3.410 20 0 GGADRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000191432638 1432660672 /nfs/dbraw/zinc/66/06/72/1432660672.db2.gz UYAWBAFWBPDMJD-UHFFFAOYSA-N 2 0 385.499 3.145 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCS2 ZINC000191492612 1432671673 /nfs/dbraw/zinc/67/16/73/1432671673.db2.gz SBPYZVFIRIHYFX-IBGZPJMESA-N 2 0 384.549 3.169 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000191543219 1432680877 /nfs/dbraw/zinc/68/08/77/1432680877.db2.gz OAFNBUMXOAWVGE-JOCHJYFZSA-N 2 0 385.552 3.231 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000191552972 1432681889 /nfs/dbraw/zinc/68/18/89/1432681889.db2.gz SYPWYUDFSDVRPI-UHFFFAOYSA-N 2 0 376.545 3.357 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561853 1432683427 /nfs/dbraw/zinc/68/34/27/1432683427.db2.gz FBYGYJXUZMREGB-QYZOEREBSA-N 2 0 399.560 3.363 20 0 GGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000191580840 1432686785 /nfs/dbraw/zinc/68/67/85/1432686785.db2.gz ZDRGDGZXWWYZKO-JOCHJYFZSA-N 2 0 382.552 3.173 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](Cc4ccccn4)CC3)c2)CC1 ZINC000191885915 1432747444 /nfs/dbraw/zinc/74/74/44/1432747444.db2.gz ZSANAIIDZXFEAH-UHFFFAOYSA-N 2 0 379.552 3.300 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2Cl)CC1 ZINC000191945207 1432763018 /nfs/dbraw/zinc/76/30/18/1432763018.db2.gz RTPJRCWGBFYKRN-UHFFFAOYSA-N 2 0 395.975 3.409 20 0 GGADRP O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192346938 1432834717 /nfs/dbraw/zinc/83/47/17/1432834717.db2.gz PDRJWEVSTKBWNJ-QFIPXVFZSA-N 2 0 393.531 3.271 20 0 GGADRP COC(=O)C1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000192444171 1432845237 /nfs/dbraw/zinc/84/52/37/1432845237.db2.gz AWSZNNIIKKGSFN-UHFFFAOYSA-N 2 0 388.552 3.379 20 0 GGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C2 ZINC000192447616 1432845716 /nfs/dbraw/zinc/84/57/16/1432845716.db2.gz MHBHGYQTWPYNLM-FCHUYYIVSA-N 2 0 380.532 3.299 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000192582525 1432863008 /nfs/dbraw/zinc/86/30/08/1432863008.db2.gz OBCXQMSVHFBBEN-UHFFFAOYSA-N 2 0 384.568 3.278 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000192694004 1432876195 /nfs/dbraw/zinc/87/61/95/1432876195.db2.gz RNFUOPPFCGCOOV-UHFFFAOYSA-N 2 0 395.551 3.130 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700658 1432876932 /nfs/dbraw/zinc/87/69/32/1432876932.db2.gz BEAVIDOKBMHWNT-LJQANCHMSA-N 2 0 387.572 3.133 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000192734502 1432882013 /nfs/dbraw/zinc/88/20/13/1432882013.db2.gz XGOBNAPHKBSVEN-LJQANCHMSA-N 2 0 386.565 3.446 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758140 1432885547 /nfs/dbraw/zinc/88/55/47/1432885547.db2.gz OQJHEZMUAMZWSG-RTWAWAEBSA-N 2 0 377.573 3.364 20 0 GGADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000192785515 1432890705 /nfs/dbraw/zinc/89/07/05/1432890705.db2.gz MNNIUOVCZSIZHT-JOCHJYFZSA-N 2 0 375.557 3.161 20 0 GGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192795917 1432892324 /nfs/dbraw/zinc/89/23/24/1432892324.db2.gz BFEQDSGPCNREDC-HNNXBMFYSA-N 2 0 389.510 3.129 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000192850802 1432898893 /nfs/dbraw/zinc/89/88/93/1432898893.db2.gz NKYWSVSXUOQLAL-UHFFFAOYSA-N 2 0 375.532 3.137 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000192849592 1432898914 /nfs/dbraw/zinc/89/89/14/1432898914.db2.gz AVAFCBZMOCOVEB-UHFFFAOYSA-N 2 0 379.976 3.040 20 0 GGADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934723 1432909880 /nfs/dbraw/zinc/90/98/80/1432909880.db2.gz NEQQRHFMLYCYLM-OAQYLSRUSA-N 2 0 398.551 3.063 20 0 GGADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934710 1432910002 /nfs/dbraw/zinc/91/00/02/1432910002.db2.gz NEQQRHFMLYCYLM-NRFANRHFSA-N 2 0 398.551 3.063 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1CCc2sccc2C1 ZINC000192959289 1432913375 /nfs/dbraw/zinc/91/33/75/1432913375.db2.gz QVZACBIFDAEVLT-QFBILLFUSA-N 2 0 386.565 3.097 20 0 GGADRP COc1cccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)[NH+]2CCCC2)c1 ZINC000193093284 1432935104 /nfs/dbraw/zinc/93/51/04/1432935104.db2.gz PJZIAEWELLWEER-NRFANRHFSA-N 2 0 388.556 3.007 20 0 GGADRP C[C@@H]1CN(Cc2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@@H](C)O1 ZINC000193448654 1433000863 /nfs/dbraw/zinc/00/08/63/1433000863.db2.gz PRQPFPULRUBZAI-QZTJIDSGSA-N 2 0 387.568 3.289 20 0 GGADRP C[C@H]1CN(Cc2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000193448640 1433000883 /nfs/dbraw/zinc/00/08/83/1433000883.db2.gz PRQPFPULRUBZAI-ROUUACIJSA-N 2 0 387.568 3.289 20 0 GGADRP C[C@@H]1CN(Cc2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000193448625 1433000965 /nfs/dbraw/zinc/00/09/65/1433000965.db2.gz PRQPFPULRUBZAI-HDICACEKSA-N 2 0 387.568 3.289 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000193693005 1433041970 /nfs/dbraw/zinc/04/19/70/1433041970.db2.gz SFUOISMIACQHJZ-LJQANCHMSA-N 2 0 378.586 3.305 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000193693586 1433042098 /nfs/dbraw/zinc/04/20/98/1433042098.db2.gz BMUJHLQTWGBZKT-JOCHJYFZSA-N 2 0 386.584 3.113 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000193850455 1433072651 /nfs/dbraw/zinc/07/26/51/1433072651.db2.gz BTVNOTKEKYGZHD-KRWDZBQOSA-N 2 0 378.586 3.447 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000193927797 1433086476 /nfs/dbraw/zinc/08/64/76/1433086476.db2.gz RHMOGFHCWDSOBB-RBUKOAKNSA-N 2 0 386.565 3.172 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000193929601 1433086965 /nfs/dbraw/zinc/08/69/65/1433086965.db2.gz CRXVTXAPIUNMLT-UHFFFAOYSA-N 2 0 375.944 3.295 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193933102 1433087856 /nfs/dbraw/zinc/08/78/56/1433087856.db2.gz ZOXKOTTYIUSUNS-QFIPXVFZSA-N 2 0 380.536 3.070 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OC ZINC000193982205 1433095873 /nfs/dbraw/zinc/09/58/73/1433095873.db2.gz VHXLVIBZVPQUDK-BVYCBKJFSA-N 2 0 388.552 3.463 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000194069701 1433111497 /nfs/dbraw/zinc/11/14/97/1433111497.db2.gz YFPLXTASMAJJRD-SIKLNZKXSA-N 2 0 398.526 3.250 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000194106575 1433118714 /nfs/dbraw/zinc/11/87/14/1433118714.db2.gz FHOQJCHTURJERF-RTWAWAEBSA-N 2 0 398.551 3.484 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194111438 1433119629 /nfs/dbraw/zinc/11/96/29/1433119629.db2.gz YVCYBIPNSHOACY-QFIPXVFZSA-N 2 0 398.595 3.462 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000194210959 1433139863 /nfs/dbraw/zinc/13/98/63/1433139863.db2.gz UVCZJTQSQQIERR-FGZHOGPDSA-N 2 0 384.568 3.072 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000194226083 1433143308 /nfs/dbraw/zinc/14/33/08/1433143308.db2.gz ZCWUGRUXZGXUPL-FQEVSTJZSA-N 2 0 384.568 3.215 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000194420595 1433175171 /nfs/dbraw/zinc/17/51/71/1433175171.db2.gz KWAVBVKLFWNHGL-NRFANRHFSA-N 2 0 384.568 3.168 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194437680 1433178069 /nfs/dbraw/zinc/17/80/69/1433178069.db2.gz HURPXMDZWHGOPC-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000194690957 1433216050 /nfs/dbraw/zinc/21/60/50/1433216050.db2.gz UXUBCCUPYBLJBM-UHFFFAOYSA-N 2 0 378.586 3.135 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194726657 1433220569 /nfs/dbraw/zinc/22/05/69/1433220569.db2.gz CEDBXOBYNJGQTA-FQEVSTJZSA-N 2 0 397.485 3.430 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000194739033 1433222290 /nfs/dbraw/zinc/22/22/90/1433222290.db2.gz WGKORKQKVPSRRB-UHFFFAOYSA-N 2 0 394.563 3.209 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC000194744260 1433223405 /nfs/dbraw/zinc/22/34/05/1433223405.db2.gz XEGMYKWNHIAGRB-UHFFFAOYSA-N 2 0 386.584 3.210 20 0 GGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000194879972 1433255431 /nfs/dbraw/zinc/25/54/31/1433255431.db2.gz AHEPABAYZFJRLU-NRFANRHFSA-N 2 0 381.520 3.154 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000194981698 1433276115 /nfs/dbraw/zinc/27/61/15/1433276115.db2.gz KQIGWRGIQZHTPS-SFHVURJKSA-N 2 0 390.597 3.134 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000194981685 1433276131 /nfs/dbraw/zinc/27/61/31/1433276131.db2.gz KQIGWRGIQZHTPS-GOSISDBHSA-N 2 0 390.597 3.134 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000194996241 1433278621 /nfs/dbraw/zinc/27/86/21/1433278621.db2.gz VGHKNVLOACNWCC-UHFFFAOYSA-N 2 0 399.501 3.418 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000195405897 1433326275 /nfs/dbraw/zinc/32/62/75/1433326275.db2.gz GGCPMRMNRSNDDQ-UHFFFAOYSA-N 2 0 389.540 3.229 20 0 GGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000195562937 1433339325 /nfs/dbraw/zinc/33/93/25/1433339325.db2.gz JNGDKRKDVGDZLM-UXHICEINSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000195606504 1433341322 /nfs/dbraw/zinc/34/13/22/1433341322.db2.gz XTPDQFGAZYSQLL-QHCPKHFHSA-N 2 0 392.547 3.009 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195663608 1433343887 /nfs/dbraw/zinc/34/38/87/1433343887.db2.gz MYTFZZKUPYXZMA-FCHUYYIVSA-N 2 0 387.568 3.459 20 0 GGADRP O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)COc1cccc2[nH]ccc21 ZINC000212073726 1433358060 /nfs/dbraw/zinc/35/80/60/1433358060.db2.gz GSOWTAGGUZOCLU-HXUWFJFHSA-N 2 0 379.504 3.162 20 0 GGADRP c1cnn(-c2ncccc2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000236654875 1433375223 /nfs/dbraw/zinc/37/52/23/1433375223.db2.gz PAQLFXVEGWGXBH-UHFFFAOYSA-N 2 0 377.492 3.032 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000236654337 1433375242 /nfs/dbraw/zinc/37/52/42/1433375242.db2.gz NYBAYTNLMNTZNW-UHFFFAOYSA-N 2 0 379.548 3.464 20 0 GGADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000236771039 1433378257 /nfs/dbraw/zinc/37/82/57/1433378257.db2.gz RGNJLRDFFIHLJM-LJQANCHMSA-N 2 0 389.540 3.260 20 0 GGADRP CC(C)[C@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[NH+]1CCCCC1 ZINC000236807348 1433379502 /nfs/dbraw/zinc/37/95/02/1433379502.db2.gz IJWKDBLROGQZPI-HXUWFJFHSA-N 2 0 387.524 3.044 20 0 GGADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236821183 1433380016 /nfs/dbraw/zinc/38/00/16/1433380016.db2.gz GWXVJIDQBIZBQR-JOCHJYFZSA-N 2 0 380.536 3.070 20 0 GGADRP CC(C)Oc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000236830593 1433380513 /nfs/dbraw/zinc/38/05/13/1433380513.db2.gz KSSCJCFBKQNOFA-QFIPXVFZSA-N 2 0 395.547 3.461 20 0 GGADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236841720 1433380740 /nfs/dbraw/zinc/38/07/40/1433380740.db2.gz RMJCBCRVUDTRAS-HSZRJFAPSA-N 2 0 394.563 3.460 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)ccc1OC ZINC000236889168 1433382150 /nfs/dbraw/zinc/38/21/50/1433382150.db2.gz PLQKTWNMGKFPKF-JOCHJYFZSA-N 2 0 397.519 3.241 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)ccc1OC ZINC000236889361 1433382185 /nfs/dbraw/zinc/38/21/85/1433382185.db2.gz PLQKTWNMGKFPKF-QFIPXVFZSA-N 2 0 397.519 3.241 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000236896061 1433382405 /nfs/dbraw/zinc/38/24/05/1433382405.db2.gz QCKJJGXXOZILHS-OFNKIYASSA-N 2 0 377.532 3.072 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000236904210 1433382699 /nfs/dbraw/zinc/38/26/99/1433382699.db2.gz QCKJJGXXOZILHS-REWPJTCUSA-N 2 0 377.532 3.072 20 0 GGADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)oc1C ZINC000237066405 1433387683 /nfs/dbraw/zinc/38/76/83/1433387683.db2.gz XGKMCHJBDXMUJT-UHFFFAOYSA-N 2 0 399.535 3.375 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cc2)CC1 ZINC000237091405 1433388669 /nfs/dbraw/zinc/38/86/69/1433388669.db2.gz DYZSBTCEKKVHIW-UHFFFAOYSA-N 2 0 379.548 3.437 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000237096205 1433388995 /nfs/dbraw/zinc/38/89/95/1433388995.db2.gz IBRIYSNEAVHYKU-JOCHJYFZSA-N 2 0 380.536 3.146 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124399 1433389998 /nfs/dbraw/zinc/38/99/98/1433389998.db2.gz SPJIUYZTSVXUQT-AHCXZYCDSA-N 2 0 383.458 3.332 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124130 1433390126 /nfs/dbraw/zinc/39/01/26/1433390126.db2.gz KTIVVKVJDUFFCX-NJAFHUGGSA-N 2 0 383.458 3.347 20 0 GGADRP COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000237166071 1433391174 /nfs/dbraw/zinc/39/11/74/1433391174.db2.gz SPSWQDUMLZEVTM-HXUWFJFHSA-N 2 0 397.563 3.247 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000237167605 1433391493 /nfs/dbraw/zinc/39/14/93/1433391493.db2.gz FDLAVKQGMZBZTQ-UHFFFAOYSA-N 2 0 395.473 3.007 20 0 GGADRP Cc1ncc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000237203917 1433392505 /nfs/dbraw/zinc/39/25/05/1433392505.db2.gz VHJHTHVNFIBXRZ-UHFFFAOYSA-N 2 0 375.538 3.231 20 0 GGADRP COc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000237238416 1433393701 /nfs/dbraw/zinc/39/37/01/1433393701.db2.gz LXIIXMIVVYSFJF-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000237257401 1433394428 /nfs/dbraw/zinc/39/44/28/1433394428.db2.gz ODHDCEPATTXWIF-SBHAEUEKSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000237252367 1433394444 /nfs/dbraw/zinc/39/44/44/1433394444.db2.gz HGAYIVXAJLXWGS-INIZCTEOSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237257968 1433394758 /nfs/dbraw/zinc/39/47/58/1433394758.db2.gz RLNPRQAZTLGLIH-RBDMOPTHSA-N 2 0 381.520 3.284 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000237286883 1433395853 /nfs/dbraw/zinc/39/58/53/1433395853.db2.gz IELGXBKBZJXJRF-SFHVURJKSA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000237294218 1433396006 /nfs/dbraw/zinc/39/60/06/1433396006.db2.gz ZINFFJCJXCLEMC-SJORKVTESA-N 2 0 377.529 3.275 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237286949 1433396082 /nfs/dbraw/zinc/39/60/82/1433396082.db2.gz XISDMAPRYWCUQS-RXVVDRJESA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000237377272 1433399900 /nfs/dbraw/zinc/39/99/00/1433399900.db2.gz CEHHQCPMTACYFI-UHFFFAOYSA-N 2 0 392.547 3.254 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000237404134 1433401240 /nfs/dbraw/zinc/40/12/40/1433401240.db2.gz ZVRBATKKGCSGPL-WOIUINJBSA-N 2 0 376.541 3.223 20 0 GGADRP C[C@H](CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000237455452 1433404008 /nfs/dbraw/zinc/40/40/08/1433404008.db2.gz HOIJKOGXNUFWPD-HXUWFJFHSA-N 2 0 379.548 3.335 20 0 GGADRP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237516046 1433407278 /nfs/dbraw/zinc/40/72/78/1433407278.db2.gz NWYDKKKKSOTOGQ-LJQANCHMSA-N 2 0 375.582 3.114 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc4c(c3)c(C)nn4C)CC2)cc1 ZINC000237522759 1433407799 /nfs/dbraw/zinc/40/77/99/1433407799.db2.gz QCAKDZHWJPOHTJ-UHFFFAOYSA-N 2 0 393.535 3.287 20 0 GGADRP C[C@@H]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237528461 1433408151 /nfs/dbraw/zinc/40/81/51/1433408151.db2.gz AEYGAZGLRMFVCO-OAQYLSRUSA-N 2 0 391.559 3.431 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000237552639 1433409231 /nfs/dbraw/zinc/40/92/31/1433409231.db2.gz NECUVQLMBBTVRV-QGZVFWFLSA-N 2 0 375.582 3.242 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237552678 1433409250 /nfs/dbraw/zinc/40/92/50/1433409250.db2.gz QDDLQFLSMKAFQJ-IEBWSBKVSA-N 2 0 375.582 3.242 20 0 GGADRP COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000237587208 1433411060 /nfs/dbraw/zinc/41/10/60/1433411060.db2.gz XWPZLBWPLBDTIH-FQEVSTJZSA-N 2 0 382.504 3.263 20 0 GGADRP C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000237598258 1433411625 /nfs/dbraw/zinc/41/16/25/1433411625.db2.gz WTOXGKBRZOHFEC-BGYRXZFFSA-N 2 0 389.584 3.139 20 0 GGADRP C[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237606643 1433412292 /nfs/dbraw/zinc/41/22/92/1433412292.db2.gz PBDFNEIJWOYDPS-VQQMMKBISA-N 2 0 387.568 3.060 20 0 GGADRP C[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC[NH2+]C1 ZINC000237612506 1433412813 /nfs/dbraw/zinc/41/28/13/1433412813.db2.gz SWKUQOJKPKXSKK-QFIPXVFZSA-N 2 0 386.540 3.219 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cc12 ZINC000237783849 1433423815 /nfs/dbraw/zinc/42/38/15/1433423815.db2.gz CIHITMWGSBWZDO-IRXDYDNUSA-N 2 0 393.535 3.176 20 0 GGADRP Cc1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237818247 1433426327 /nfs/dbraw/zinc/42/63/27/1433426327.db2.gz SKRWCAHMCCTMBJ-NRFANRHFSA-N 2 0 379.504 3.123 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000237823329 1433426331 /nfs/dbraw/zinc/42/63/31/1433426331.db2.gz BWAIKPHUUVSWDN-UHFFFAOYSA-N 2 0 383.927 3.290 20 0 GGADRP [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)CCCC1 ZINC000237826851 1433426414 /nfs/dbraw/zinc/42/64/14/1433426414.db2.gz KMUDHHACIMVPHU-IBGZPJMESA-N 2 0 383.561 3.483 20 0 GGADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237869694 1433430406 /nfs/dbraw/zinc/43/04/06/1433430406.db2.gz DCSJESLGTHGDPA-RTBURBONSA-N 2 0 391.437 3.486 20 0 GGADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237898145 1433432785 /nfs/dbraw/zinc/43/27/85/1433432785.db2.gz DCSJESLGTHGDPA-MOPGFXCFSA-N 2 0 391.437 3.486 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237907001 1433433676 /nfs/dbraw/zinc/43/36/76/1433433676.db2.gz DELIVHQNFPVPMU-JOCHJYFZSA-N 2 0 377.532 3.261 20 0 GGADRP [NH3+][C@H](CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000237915535 1433434046 /nfs/dbraw/zinc/43/40/46/1433434046.db2.gz LEQMERHCAXEQIW-LJQANCHMSA-N 2 0 375.582 3.335 20 0 GGADRP O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000237913818 1433434066 /nfs/dbraw/zinc/43/40/66/1433434066.db2.gz CNEOGZDIAAUHBD-UHFFFAOYSA-N 2 0 397.519 3.149 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000237953157 1433436897 /nfs/dbraw/zinc/43/68/97/1433436897.db2.gz JMVNTOTXUPSFOJ-IBGZPJMESA-N 2 0 381.476 3.014 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238010298 1433439176 /nfs/dbraw/zinc/43/91/76/1433439176.db2.gz MWPOKSPSEXQJSN-UHFFFAOYSA-N 2 0 397.588 3.398 20 0 GGADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238060750 1433441512 /nfs/dbraw/zinc/44/15/12/1433441512.db2.gz RMQTZVFRJVZUFE-PMVMPFDFSA-N 2 0 399.579 3.095 20 0 GGADRP O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000238102772 1433442920 /nfs/dbraw/zinc/44/29/20/1433442920.db2.gz XHWOWHCZJKOGAP-FQEVSTJZSA-N 2 0 398.551 3.219 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245392607 1433458793 /nfs/dbraw/zinc/45/87/93/1433458793.db2.gz ULYCVFDFVRIYBO-QYZOEREBSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245454970 1433470850 /nfs/dbraw/zinc/47/08/50/1433470850.db2.gz HTKIWSCKUMGWLX-QZTJIDSGSA-N 2 0 381.586 3.242 20 0 GGADRP COc1cccc([C@H]2[C@@H](NC(=O)CN(C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000245535118 1433481950 /nfs/dbraw/zinc/48/19/50/1433481950.db2.gz FHBFBMBWQLSMOU-UPVQGACJSA-N 2 0 393.531 3.221 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000245548565 1433483762 /nfs/dbraw/zinc/48/37/62/1433483762.db2.gz FUDVQJLULICTRO-YTFSRNRJSA-N 2 0 383.580 3.132 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573985 1433487102 /nfs/dbraw/zinc/48/71/02/1433487102.db2.gz DCFGYSGKCYJTLT-YSIASYRMSA-N 2 0 388.556 3.281 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000245587292 1433488398 /nfs/dbraw/zinc/48/83/98/1433488398.db2.gz AONJKVFGYXACIR-RTBURBONSA-N 2 0 392.613 3.333 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000245587918 1433488436 /nfs/dbraw/zinc/48/84/36/1433488436.db2.gz APEALCAWCLEXEH-ZWKOTPCHSA-N 2 0 378.586 3.258 20 0 GGADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589850 1433488568 /nfs/dbraw/zinc/48/85/68/1433488568.db2.gz KLMBXHUBIFCSSX-GDBMZVCRSA-N 2 0 381.446 3.412 20 0 GGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589851 1433488681 /nfs/dbraw/zinc/48/86/81/1433488681.db2.gz KLMBXHUBIFCSSX-ZBFHGGJFSA-N 2 0 381.446 3.412 20 0 GGADRP CC(C)CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245622255 1433491990 /nfs/dbraw/zinc/49/19/90/1433491990.db2.gz BFQXYPCZADHTOT-NRSPTQNISA-N 2 0 381.605 3.233 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245639959 1433494155 /nfs/dbraw/zinc/49/41/55/1433494155.db2.gz DCHVEVSJNTUGGX-CBQOVEMMSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C1CC1 ZINC000245644801 1433494700 /nfs/dbraw/zinc/49/47/00/1433494700.db2.gz AWYPVXYCHJLCEE-WTANOLMUSA-N 2 0 396.938 3.254 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644871 1433495109 /nfs/dbraw/zinc/49/51/09/1433495109.db2.gz AZKLBUCFSAIZEZ-LZQZEXGQSA-N 2 0 381.923 3.463 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245653858 1433495825 /nfs/dbraw/zinc/49/58/25/1433495825.db2.gz CZIOBGYVZOSRPR-ALKREAHSSA-N 2 0 396.938 3.113 20 0 GGADRP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667219 1433497248 /nfs/dbraw/zinc/49/72/48/1433497248.db2.gz HFVOFQMYFMOOPT-QAPCUYQASA-N 2 0 384.927 3.113 20 0 GGADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)no1 ZINC000245725896 1433506549 /nfs/dbraw/zinc/50/65/49/1433506549.db2.gz DSWFKCMDFNSBFD-RXVVDRJESA-N 2 0 382.508 3.406 20 0 GGADRP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245726207 1433506645 /nfs/dbraw/zinc/50/66/45/1433506645.db2.gz QWPKLQYTBVJCSQ-LEWJYISDSA-N 2 0 375.532 3.164 20 0 GGADRP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245726213 1433506733 /nfs/dbraw/zinc/50/67/33/1433506733.db2.gz QWPKLQYTBVJCSQ-NHCUHLMSSA-N 2 0 375.532 3.164 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000245852578 1433526846 /nfs/dbraw/zinc/52/68/46/1433526846.db2.gz MPKMAWNDAGSNQP-RBBKRZOGSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C[C@H](C)O1 ZINC000245892687 1433535592 /nfs/dbraw/zinc/53/55/92/1433535592.db2.gz MKRXHCAQYZZFBS-OPVJXMOQSA-N 2 0 376.541 3.222 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000245896453 1433536568 /nfs/dbraw/zinc/53/65/68/1433536568.db2.gz DBMGERDWVRDHNH-AKHDSKFASA-N 2 0 383.577 3.159 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245932245 1433546344 /nfs/dbraw/zinc/54/63/44/1433546344.db2.gz ILGCIRRBCBBKAL-WSTZPKSXSA-N 2 0 395.588 3.160 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000245975014 1433552360 /nfs/dbraw/zinc/55/23/60/1433552360.db2.gz ONSWQLHDMRDKHH-WJFTUGDTSA-N 2 0 383.577 3.111 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000246018194 1433558163 /nfs/dbraw/zinc/55/81/63/1433558163.db2.gz URMMKMJIYJNVGC-RNJSZURPSA-N 2 0 398.595 3.269 20 0 GGADRP C[C@H](CNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246053646 1433562250 /nfs/dbraw/zinc/56/22/50/1433562250.db2.gz DYDJPPNXKZMVMM-GUDVDZBRSA-N 2 0 388.556 3.322 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000246056044 1433562606 /nfs/dbraw/zinc/56/26/06/1433562606.db2.gz XXEKAJWRRZKGKP-HZPDHXFCSA-N 2 0 382.499 3.083 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000246107750 1433569996 /nfs/dbraw/zinc/56/99/96/1433569996.db2.gz ZHICILWTXKTICF-UFYCRDLUSA-N 2 0 389.584 3.441 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246149019 1433574932 /nfs/dbraw/zinc/57/49/32/1433574932.db2.gz CPIMOPPGYCCBMB-QUCCMNQESA-N 2 0 389.588 3.054 20 0 GGADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000246149913 1433574958 /nfs/dbraw/zinc/57/49/58/1433574958.db2.gz HMTNZGJQWMOWAF-VAMGGRTRSA-N 2 0 381.605 3.232 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174953 1433578111 /nfs/dbraw/zinc/57/81/11/1433578111.db2.gz GKHAPDNBVSOANC-BAGYTPMASA-N 2 0 386.584 3.441 20 0 GGADRP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246219072 1433583099 /nfs/dbraw/zinc/58/30/99/1433583099.db2.gz ZIOKKECBHSEBPG-NHCUHLMSSA-N 2 0 387.593 3.259 20 0 GGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246219985 1433583412 /nfs/dbraw/zinc/58/34/12/1433583412.db2.gz BGCCFBFQQHCBSA-RVDAZCDBSA-N 2 0 376.589 3.011 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000246229755 1433584716 /nfs/dbraw/zinc/58/47/16/1433584716.db2.gz FUHUPEWWFPNSMZ-FPOVZHCZSA-N 2 0 376.976 3.069 20 0 GGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000246234602 1433584860 /nfs/dbraw/zinc/58/48/60/1433584860.db2.gz ICRQSLNIWHNTGA-HHXXYDBFSA-N 2 0 397.485 3.422 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246287801 1433590000 /nfs/dbraw/zinc/59/00/00/1433590000.db2.gz IGKFRACJKLMUDI-GGPKGHCWSA-N 2 0 376.589 3.155 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301076 1433592104 /nfs/dbraw/zinc/59/21/04/1433592104.db2.gz DBGSLCJLDNJWGY-AUSIDOKSSA-N 2 0 379.552 3.193 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246316984 1433594005 /nfs/dbraw/zinc/59/40/05/1433594005.db2.gz FBNLTXAIYNSYTF-PWIZWCRZSA-N 2 0 376.541 3.431 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246321666 1433594523 /nfs/dbraw/zinc/59/45/23/1433594523.db2.gz KOQJREKFBVJLTJ-DYQZNNLLSA-N 2 0 390.616 3.403 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246320495 1433594535 /nfs/dbraw/zinc/59/45/35/1433594535.db2.gz GVJSKQOQIYWALT-WOJBJXKFSA-N 2 0 378.605 3.403 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246323783 1433595043 /nfs/dbraw/zinc/59/50/43/1433595043.db2.gz HFCYWTSWALHWAU-NJDAHSKKSA-N 2 0 378.605 3.403 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246324975 1433595270 /nfs/dbraw/zinc/59/52/70/1433595270.db2.gz CMBGZQKEVWIWOM-ACIOBRDBSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000246327238 1433595637 /nfs/dbraw/zinc/59/56/37/1433595637.db2.gz HPQYKVVMDPSWCF-OALUTQOASA-N 2 0 386.540 3.311 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000246334428 1433596346 /nfs/dbraw/zinc/59/63/46/1433596346.db2.gz BVKDLZYQGIUFLO-CEXWTWQISA-N 2 0 395.613 3.346 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246334130 1433596442 /nfs/dbraw/zinc/59/64/42/1433596442.db2.gz HHRGRYUZTGWMQJ-UXJHKWJQSA-N 2 0 386.584 3.315 20 0 GGADRP OC[C@@H]1c2ccccc2CC[NH+]1CCCCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000246356110 1433599930 /nfs/dbraw/zinc/59/99/30/1433599930.db2.gz JRWCHDQKZBQBPI-JWQCQUIFSA-N 2 0 394.559 3.340 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246359677 1433600167 /nfs/dbraw/zinc/60/01/67/1433600167.db2.gz IIUZWNFMGCPSFZ-VXKWHMMOSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246359686 1433600297 /nfs/dbraw/zinc/60/02/97/1433600297.db2.gz IIUZWNFMGCPSFZ-YADHBBJMSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000246361906 1433600470 /nfs/dbraw/zinc/60/04/70/1433600470.db2.gz GPVHNDOTBKGLPF-TZIWHRDSSA-N 2 0 375.532 3.274 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000246364795 1433600903 /nfs/dbraw/zinc/60/09/03/1433600903.db2.gz KRFLQFYEUQIGMW-YUVXSKOASA-N 2 0 384.568 3.023 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246364029 1433601174 /nfs/dbraw/zinc/60/11/74/1433601174.db2.gz KNEUPJHIHQLRQB-SBHAEUEKSA-N 2 0 386.584 3.126 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246389436 1433605425 /nfs/dbraw/zinc/60/54/25/1433605425.db2.gz OFTKXUMMCGMRBK-JIWOIOHBSA-N 2 0 386.584 3.125 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246403836 1433607970 /nfs/dbraw/zinc/60/79/70/1433607970.db2.gz LMZNQBXFSGYLTO-PWRODBHTSA-N 2 0 378.605 3.260 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000246409418 1433608644 /nfs/dbraw/zinc/60/86/44/1433608644.db2.gz LQPLMDLISNSCBR-PLMTUMEDSA-N 2 0 388.556 3.003 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000246420887 1433610132 /nfs/dbraw/zinc/61/01/32/1433610132.db2.gz SDLBTVBRLIURFW-HSALFYBXSA-N 2 0 387.568 3.075 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000246428149 1433611280 /nfs/dbraw/zinc/61/12/80/1433611280.db2.gz WGMAYKYXMSYYRR-KNQAVFIVSA-N 2 0 386.584 3.400 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000246428133 1433611395 /nfs/dbraw/zinc/61/13/95/1433611395.db2.gz WGMAYKYXMSYYRR-DENIHFKCSA-N 2 0 386.584 3.400 20 0 GGADRP Cc1ccc(CN(C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433053 1433612358 /nfs/dbraw/zinc/61/23/58/1433612358.db2.gz CSEVMELWRZTZSF-REWPJTCUSA-N 2 0 381.564 3.435 20 0 GGADRP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246444788 1433613997 /nfs/dbraw/zinc/61/39/97/1433613997.db2.gz DNBJFBSHIYPIHG-UWJYYQICSA-N 2 0 382.504 3.429 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246463572 1433616101 /nfs/dbraw/zinc/61/61/01/1433616101.db2.gz QBPCILDHEGQLQQ-MSOLQXFVSA-N 2 0 391.556 3.379 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000246477148 1433618668 /nfs/dbraw/zinc/61/86/68/1433618668.db2.gz VPFOMMNBJJHABK-FGZHOGPDSA-N 2 0 386.584 3.067 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000246486217 1433619750 /nfs/dbraw/zinc/61/97/50/1433619750.db2.gz VZTNWTUVLOXWIU-BWAGFHJFSA-N 2 0 384.568 3.297 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246514423 1433623686 /nfs/dbraw/zinc/62/36/86/1433623686.db2.gz VARPKKFCXRSMPM-NJYVYQBISA-N 2 0 378.605 3.404 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000246514361 1433623824 /nfs/dbraw/zinc/62/38/24/1433623824.db2.gz XDMCQTQCQHUHLP-UXHICEINSA-N 2 0 389.588 3.145 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246513365 1433623840 /nfs/dbraw/zinc/62/38/40/1433623840.db2.gz UFJIKSGWEUCPGP-DYXWJJEUSA-N 2 0 376.589 3.013 20 0 GGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542591 1433628700 /nfs/dbraw/zinc/62/87/00/1433628700.db2.gz JYCPHTHWAFMFGY-RXOYHEDQSA-N 2 0 384.564 3.390 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000246547652 1433629503 /nfs/dbraw/zinc/62/95/03/1433629503.db2.gz DEOSVDMEDKWEHB-UIFIKXQLSA-N 2 0 381.524 3.143 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC[C@H]21 ZINC000246573143 1433633123 /nfs/dbraw/zinc/63/31/23/1433633123.db2.gz BYNWJMAGDQCLIR-AZUAARDMSA-N 2 0 390.597 3.086 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000246579675 1433634344 /nfs/dbraw/zinc/63/43/44/1433634344.db2.gz ZSEVEIKWXIPEFS-IFMALSPDSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000246590302 1433635432 /nfs/dbraw/zinc/63/54/32/1433635432.db2.gz PNZCVJSWESVMFR-CEMLEFRQSA-N 2 0 384.568 3.309 20 0 GGADRP C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000246659698 1433646442 /nfs/dbraw/zinc/64/64/42/1433646442.db2.gz DGADDGVPKHHMEK-GJZGRUSLSA-N 2 0 383.521 3.312 20 0 GGADRP CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000246714066 1433653928 /nfs/dbraw/zinc/65/39/28/1433653928.db2.gz XCUDSJFZCZNITH-PVSGBFIBSA-N 2 0 395.547 3.118 20 0 GGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000246713138 1433654022 /nfs/dbraw/zinc/65/40/22/1433654022.db2.gz UOCNSLZNMRXETB-VAMGGRTRSA-N 2 0 396.620 3.170 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246719517 1433654994 /nfs/dbraw/zinc/65/49/94/1433654994.db2.gz UZEYEZJZCSSYAY-JTJHWIPRSA-N 2 0 376.589 3.013 20 0 GGADRP O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749171 1433659402 /nfs/dbraw/zinc/65/94/02/1433659402.db2.gz QAOKWHOUSGLKAE-GDIGMMSISA-N 2 0 379.342 3.431 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000246782330 1433665193 /nfs/dbraw/zinc/66/51/93/1433665193.db2.gz QKEZPMPJQIIJOT-QAPCUYQASA-N 2 0 383.458 3.314 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000246812297 1433672097 /nfs/dbraw/zinc/67/20/97/1433672097.db2.gz JLWVEVOSNADQIM-FCHUYYIVSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815765 1433672785 /nfs/dbraw/zinc/67/27/85/1433672785.db2.gz NMRHFGLPCHPUDG-GZZPLNRMSA-N 2 0 385.596 3.409 20 0 GGADRP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246915628 1433686950 /nfs/dbraw/zinc/68/69/50/1433686950.db2.gz RSTWFFFTTJAWEJ-LEWJYISDSA-N 2 0 390.547 3.304 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000246920534 1433687496 /nfs/dbraw/zinc/68/74/96/1433687496.db2.gz GSHAJDQTUHCZGL-QWFCFKBJSA-N 2 0 377.573 3.234 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000247271986 1433698610 /nfs/dbraw/zinc/69/86/10/1433698610.db2.gz RGZAAEOFNNGMJX-PXNSSMCTSA-N 2 0 376.545 3.007 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000247280583 1433700180 /nfs/dbraw/zinc/70/01/80/1433700180.db2.gz KHQKDOJTWLBODI-RBBKRZOGSA-N 2 0 386.584 3.270 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247308522 1433703604 /nfs/dbraw/zinc/70/36/04/1433703604.db2.gz GYKNJMHFKFGSTL-NNWRFLSQSA-N 2 0 386.584 3.413 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000247342050 1433710417 /nfs/dbraw/zinc/71/04/17/1433710417.db2.gz NWMSURNWAOBDQT-PKOBYXMFSA-N 2 0 383.577 3.113 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000247362036 1433713443 /nfs/dbraw/zinc/71/34/43/1433713443.db2.gz CIFQIRLWZFFQGV-IFMALSPDSA-N 2 0 386.584 3.272 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000247362042 1433713522 /nfs/dbraw/zinc/71/35/22/1433713522.db2.gz CIFQIRLWZFFQGV-IRLDBZIGSA-N 2 0 386.584 3.272 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247369461 1433714198 /nfs/dbraw/zinc/71/41/98/1433714198.db2.gz DWOVWULKAOEVFL-QZTJIDSGSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247460228 1433725028 /nfs/dbraw/zinc/72/50/28/1433725028.db2.gz UIKHWUZJHWTASA-NNWRFLSQSA-N 2 0 386.584 3.317 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000247471093 1433726714 /nfs/dbraw/zinc/72/67/14/1433726714.db2.gz RRJAXXSVUIZNAD-UXHICEINSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000247529237 1433733593 /nfs/dbraw/zinc/73/35/93/1433733593.db2.gz OUJFPJOFRIKCIB-NRSPTQNISA-N 2 0 381.524 3.285 20 0 GGADRP C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247645312 1433742843 /nfs/dbraw/zinc/74/28/43/1433742843.db2.gz WAPPYKSCFQVZSH-LEWJYISDSA-N 2 0 393.531 3.362 20 0 GGADRP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1Cc2ccccc2[C@H]1O ZINC000247710095 1433747434 /nfs/dbraw/zinc/74/74/34/1433747434.db2.gz RSJIYFMBSJJNSJ-KMDXXIMOSA-N 2 0 380.532 3.022 20 0 GGADRP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C[NH+]1CCCC1 ZINC000247883442 1433755231 /nfs/dbraw/zinc/75/52/31/1433755231.db2.gz CGVKUTLCZZJFJX-PMACEKPBSA-N 2 0 378.605 3.404 20 0 GGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000247947631 1433758366 /nfs/dbraw/zinc/75/83/66/1433758366.db2.gz DRMXFKNOFUGEIA-MOPGFXCFSA-N 2 0 398.576 3.316 20 0 GGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958294 1433759239 /nfs/dbraw/zinc/75/92/39/1433759239.db2.gz FWVLCBNMXSOIPA-ODOSVJCGSA-N 2 0 377.532 3.407 20 0 GGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248012233 1433763279 /nfs/dbraw/zinc/76/32/79/1433763279.db2.gz LJCTWZRFVRGIRX-DYESRHJHSA-N 2 0 383.511 3.244 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248012235 1433763468 /nfs/dbraw/zinc/76/34/68/1433763468.db2.gz LJCTWZRFVRGIRX-LAUBAEHRSA-N 2 0 383.511 3.244 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248060770 1433766902 /nfs/dbraw/zinc/76/69/02/1433766902.db2.gz LVZRJOMGYZLEOK-OTWHNJEPSA-N 2 0 383.577 3.113 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@H]21 ZINC000248123543 1433771343 /nfs/dbraw/zinc/77/13/43/1433771343.db2.gz NRKOLQNYQBQTSG-ATZDWAIDSA-N 2 0 393.478 3.200 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248386689 1433792409 /nfs/dbraw/zinc/79/24/09/1433792409.db2.gz NMIIGCHMYOJYOV-GHTZIAJQSA-N 2 0 383.536 3.259 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390696 1433793705 /nfs/dbraw/zinc/79/37/05/1433793705.db2.gz BRESNHLXKXOMQT-YRISNDGFSA-N 2 0 390.547 3.381 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000248392130 1433794005 /nfs/dbraw/zinc/79/40/05/1433794005.db2.gz VQOWABWEHKAOTM-QZTJIDSGSA-N 2 0 389.540 3.148 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000248391611 1433794182 /nfs/dbraw/zinc/79/41/82/1433794182.db2.gz DJAMZFOXQKOLKY-GXKRZCMTSA-N 2 0 388.577 3.372 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396083 1433795495 /nfs/dbraw/zinc/79/54/95/1433795495.db2.gz GVTVUHWCONFDNA-ZVDOUQERSA-N 2 0 376.589 3.299 20 0 GGADRP COCCC[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395173 1433795540 /nfs/dbraw/zinc/79/55/40/1433795540.db2.gz FZZGPPMUTWQUDF-GMKZXUHWSA-N 2 0 385.596 3.378 20 0 GGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248399413 1433796901 /nfs/dbraw/zinc/79/69/01/1433796901.db2.gz JUXWGAOLWHMVRL-IHPCNDPISA-N 2 0 376.589 3.203 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248401639 1433797522 /nfs/dbraw/zinc/79/75/22/1433797522.db2.gz MCSNBCXAGIQPQP-DYXWJJEUSA-N 2 0 386.584 3.459 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248401335 1433797724 /nfs/dbraw/zinc/79/77/24/1433797724.db2.gz LVEAYGOMJKFIDV-AQNXPRMDSA-N 2 0 378.605 3.307 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000248402338 1433797839 /nfs/dbraw/zinc/79/78/39/1433797839.db2.gz NEWKLNRIMJIGQE-VPBXCIAMSA-N 3 0 398.639 3.149 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248401538 1433798184 /nfs/dbraw/zinc/79/81/84/1433798184.db2.gz LVFZBIBWIFVWFQ-IYWMVGAKSA-N 2 0 378.605 3.307 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H](Cc2nccn2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405320 1433799094 /nfs/dbraw/zinc/79/90/94/1433799094.db2.gz REIHWWJLOSJMLJ-GBESFXJTSA-N 2 0 387.572 3.037 20 0 GGADRP C[C@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405416 1433799429 /nfs/dbraw/zinc/79/94/29/1433799429.db2.gz RIWIABCTJKDPQM-WPYKKVEZSA-N 2 0 399.579 3.047 20 0 GGADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248408214 1433800170 /nfs/dbraw/zinc/80/01/70/1433800170.db2.gz VFWBKDQIBHXUGR-QRVBRYPASA-N 2 0 378.605 3.449 20 0 GGADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248408217 1433800233 /nfs/dbraw/zinc/80/02/33/1433800233.db2.gz VFWBKDQIBHXUGR-QYZOEREBSA-N 2 0 378.605 3.449 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248411753 1433800657 /nfs/dbraw/zinc/80/06/57/1433800657.db2.gz ZPKLPHMAQHWWQW-UEQSERJNSA-N 3 0 385.596 3.114 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCN1CC(F)(F)F ZINC000248418843 1433801220 /nfs/dbraw/zinc/80/12/20/1433801220.db2.gz UDNCHHBTVGUCIL-NCXUSEDFSA-N 2 0 395.469 3.040 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC3 ZINC000248420328 1433801441 /nfs/dbraw/zinc/80/14/41/1433801441.db2.gz LSADQUYLNCHVMR-GAZXMLTASA-N 2 0 397.563 3.391 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC3 ZINC000248420329 1433801480 /nfs/dbraw/zinc/80/14/80/1433801480.db2.gz LSADQUYLNCHVMR-UOKFIYJESA-N 2 0 397.563 3.391 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248428335 1433801774 /nfs/dbraw/zinc/80/17/74/1433801774.db2.gz ASBNTNXPIKKESZ-WMZHIEFXSA-N 3 0 397.563 3.044 20 0 GGADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2(C[NH+](C)[C@H]3C[C@H](OCC)C3(C)C)COC2)C1(C)C ZINC000248450577 1433803700 /nfs/dbraw/zinc/80/37/00/1433803700.db2.gz YCWJVJTZZDJGQY-LWYYNNOASA-N 2 0 396.616 3.274 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457329 1433804341 /nfs/dbraw/zinc/80/43/41/1433804341.db2.gz SXIPFLQPDNZNDH-YLJYHZDGSA-N 2 0 384.520 3.430 20 0 GGADRP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248471009 1433805378 /nfs/dbraw/zinc/80/53/78/1433805378.db2.gz VMQMKTVBIYIECV-AYBZRNKSSA-N 2 0 398.469 3.394 20 0 GGADRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccnc1 ZINC000248498625 1433806022 /nfs/dbraw/zinc/80/60/22/1433806022.db2.gz MJHYGCQAOLHKMB-YADHBBJMSA-N 2 0 380.536 3.410 20 0 GGADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248585917 1433809866 /nfs/dbraw/zinc/80/98/66/1433809866.db2.gz PYYVIVZDRYPLKI-POAQFYNOSA-N 2 0 378.944 3.337 20 0 GGADRP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cnn1C(C)C ZINC000248688149 1433815288 /nfs/dbraw/zinc/81/52/88/1433815288.db2.gz IBDZSJAGAVMXPS-LAUBAEHRSA-N 2 0 397.567 3.321 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248690641 1433815494 /nfs/dbraw/zinc/81/54/94/1433815494.db2.gz AULGVFAICONKBE-ZCNNSNEGSA-N 2 0 397.604 3.359 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248722592 1433817671 /nfs/dbraw/zinc/81/76/71/1433817671.db2.gz CMDCDSRXKPBIQC-CEMLEFRQSA-N 2 0 384.568 3.167 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248724536 1433817941 /nfs/dbraw/zinc/81/79/41/1433817941.db2.gz HQCKYHKWGKADQV-XJUOHMSHSA-N 2 0 396.579 3.167 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000248726774 1433817947 /nfs/dbraw/zinc/81/79/47/1433817947.db2.gz IINXCDVZRAPBAX-VXKWHMMOSA-N 2 0 384.568 3.168 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735182 1433818653 /nfs/dbraw/zinc/81/86/53/1433818653.db2.gz QPYVFGDBPOMXSA-QGPMSJSTSA-N 2 0 381.442 3.227 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248773460 1433821710 /nfs/dbraw/zinc/82/17/10/1433821710.db2.gz TYUSMPZDYXCXCP-LEWJYISDSA-N 2 0 396.535 3.238 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000248779072 1433822016 /nfs/dbraw/zinc/82/20/16/1433822016.db2.gz UVCZJTQSQQIERR-YADHBBJMSA-N 2 0 384.568 3.072 20 0 GGADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248791600 1433822814 /nfs/dbraw/zinc/82/28/14/1433822814.db2.gz XTZYYOYXBKROAK-KSEOMHKRSA-N 2 0 398.595 3.461 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000248806583 1433823478 /nfs/dbraw/zinc/82/34/78/1433823478.db2.gz KDZMWTWSEMNGMQ-XMSQKQJNSA-N 2 0 380.536 3.068 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829342 1433824541 /nfs/dbraw/zinc/82/45/41/1433824541.db2.gz DTQOMZKAPRVFAQ-BKULYWANSA-N 2 0 378.564 3.404 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248852087 1433825747 /nfs/dbraw/zinc/82/57/47/1433825747.db2.gz OWKCSKXGFSJOMI-VGSGFSFPSA-N 2 0 396.579 3.165 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000248894762 1433828338 /nfs/dbraw/zinc/82/83/38/1433828338.db2.gz YLAWYWUEQGKEPK-VQTJNVASSA-N 2 0 386.584 3.113 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000248896604 1433828400 /nfs/dbraw/zinc/82/84/00/1433828400.db2.gz VKMHNCGGWSUGEH-LAUBAEHRSA-N 2 0 386.511 3.369 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000248917272 1433829440 /nfs/dbraw/zinc/82/94/40/1433829440.db2.gz DLJUUKRZLHKFIN-MZMPZRCHSA-N 2 0 398.473 3.233 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000248932731 1433829701 /nfs/dbraw/zinc/82/97/01/1433829701.db2.gz XZXMNKVCDZTIAM-PGRDOPGGSA-N 2 0 380.536 3.068 20 0 GGADRP C[C@H](c1nnnn1C1CCCCC1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248947978 1433830192 /nfs/dbraw/zinc/83/01/92/1433830192.db2.gz DSDCVGLUNZLJCT-FGTMMUONSA-N 2 0 390.576 3.061 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000249001134 1433831977 /nfs/dbraw/zinc/83/19/77/1433831977.db2.gz NAGNQFLFKKSRBH-FGTMMUONSA-N 2 0 398.473 3.186 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249013742 1433832298 /nfs/dbraw/zinc/83/22/98/1433832298.db2.gz PCLYHVPACWTUNX-FKBYEOEOSA-N 2 0 386.584 3.269 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000249061799 1433833525 /nfs/dbraw/zinc/83/35/25/1433833525.db2.gz YQYZZBNBCSXWNB-BHIFYINESA-N 2 0 386.584 3.269 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000249061814 1433833606 /nfs/dbraw/zinc/83/36/06/1433833606.db2.gz YQYZZBNBCSXWNB-FSSWDIPSSA-N 2 0 386.584 3.269 20 0 GGADRP CCS(=O)(=O)CCCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249119448 1433836018 /nfs/dbraw/zinc/83/60/18/1433836018.db2.gz SNXHJMNRRCIZHG-KXTWHKPSSA-N 2 0 380.598 3.338 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287376 1433840568 /nfs/dbraw/zinc/84/05/68/1433840568.db2.gz OQJHEZMUAMZWSG-LEWJYISDSA-N 2 0 377.573 3.364 20 0 GGADRP CN1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000249337849 1433841340 /nfs/dbraw/zinc/84/13/40/1433841340.db2.gz ZRMXYEOFHPTZDP-UXHICEINSA-N 2 0 382.508 3.115 20 0 GGADRP CN1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000249337852 1433841407 /nfs/dbraw/zinc/84/14/07/1433841407.db2.gz ZRMXYEOFHPTZDP-WOJBJXKFSA-N 2 0 382.508 3.115 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000249420301 1433843451 /nfs/dbraw/zinc/84/34/51/1433843451.db2.gz HJLQXRHYLLTTDH-RKVPGOIHSA-N 2 0 383.483 3.018 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000249512801 1433845698 /nfs/dbraw/zinc/84/56/98/1433845698.db2.gz VQCGEVWDGYDSED-RBUKOAKNSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCc2sccc2C1 ZINC000249526554 1433846198 /nfs/dbraw/zinc/84/61/98/1433846198.db2.gz UHVKFZAQSUVLSG-MSOLQXFVSA-N 2 0 392.613 3.306 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000249528024 1433846457 /nfs/dbraw/zinc/84/64/57/1433846457.db2.gz VTWOGZJGXKVXGQ-VAMGGRTRSA-N 2 0 398.595 3.448 20 0 GGADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000249615727 1433848257 /nfs/dbraw/zinc/84/82/57/1433848257.db2.gz PDQNUIAVWOMNHH-OALUTQOASA-N 2 0 382.552 3.437 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000249766175 1433851548 /nfs/dbraw/zinc/85/15/48/1433851548.db2.gz POZDMRIDZPBEAF-DLBZAZTESA-N 2 0 388.556 3.163 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000249766178 1433851565 /nfs/dbraw/zinc/85/15/65/1433851565.db2.gz POZDMRIDZPBEAF-IAGOWNOFSA-N 2 0 388.556 3.163 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000250135464 1433854785 /nfs/dbraw/zinc/85/47/85/1433854785.db2.gz XZACIBBJGLGZFD-CEXWTWQISA-N 2 0 392.609 3.467 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000250135473 1433854794 /nfs/dbraw/zinc/85/47/94/1433854794.db2.gz XZACIBBJGLGZFD-GUDVDZBRSA-N 2 0 392.609 3.467 20 0 GGADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291413 1433855750 /nfs/dbraw/zinc/85/57/50/1433855750.db2.gz SWFRHLMXGGLLJG-FGZHOGPDSA-N 2 0 390.568 3.017 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251432088 1433857936 /nfs/dbraw/zinc/85/79/36/1433857936.db2.gz BGUJXJCRUNCNLS-KNKQGSTJSA-N 2 0 386.584 3.258 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000251496122 1433858354 /nfs/dbraw/zinc/85/83/54/1433858354.db2.gz DLNKWTBPDROILM-YPAWHYETSA-N 2 0 384.568 3.023 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000251496114 1433858403 /nfs/dbraw/zinc/85/84/03/1433858403.db2.gz DLNKWTBPDROILM-BHDDXSALSA-N 2 0 384.568 3.023 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000251542202 1433858765 /nfs/dbraw/zinc/85/87/65/1433858765.db2.gz GJRKXJMSRXGCRU-UNMCSNQZSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000251770419 1433860426 /nfs/dbraw/zinc/86/04/26/1433860426.db2.gz FAEOBWNZRWUXKB-VAMGGRTRSA-N 2 0 390.572 3.474 20 0 GGADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000251837837 1433860676 /nfs/dbraw/zinc/86/06/76/1433860676.db2.gz QDEGEESSVOOZDZ-MTQWCTHYSA-N 2 0 399.579 3.174 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000252094693 1433862616 /nfs/dbraw/zinc/86/26/16/1433862616.db2.gz FGQIGYXLQXHLCC-KZNAEPCWSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000252179698 1433862827 /nfs/dbraw/zinc/86/28/27/1433862827.db2.gz SSCDYROUZAQROP-HSALFYBXSA-N 2 0 390.572 3.474 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000252692251 1433864253 /nfs/dbraw/zinc/86/42/53/1433864253.db2.gz UDGSMZSBTXMWDN-JZWVFAODSA-N 2 0 396.579 3.092 20 0 GGADRP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000252726714 1433864399 /nfs/dbraw/zinc/86/43/99/1433864399.db2.gz DWKWODWJKREEJD-NHCUHLMSSA-N 2 0 398.551 3.166 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571059 1433885510 /nfs/dbraw/zinc/88/55/10/1433885510.db2.gz NZDXSAIOMSXZMQ-JZPIVDQYSA-N 2 0 381.495 3.326 20 0 GGADRP C(=C\CN1CCC[N@@H+](C2CCCC2)CC1)\CN1CCC[NH+](C2CCCC2)CC1 ZINC000255885385 1433890800 /nfs/dbraw/zinc/89/08/00/1433890800.db2.gz NEXJPFVDVHEKQU-WAYWQWQTSA-N 2 0 388.644 3.443 20 0 GGADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000255957894 1433892891 /nfs/dbraw/zinc/89/28/91/1433892891.db2.gz JNGDKRKDVGDZLM-PMACEKPBSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000261386569 1433895417 /nfs/dbraw/zinc/89/54/17/1433895417.db2.gz MMGYFIPKMVZIMJ-HXUWFJFHSA-N 2 0 392.547 3.289 20 0 GGADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cc2)no1 ZINC000261628708 1433897846 /nfs/dbraw/zinc/89/78/46/1433897846.db2.gz FBUKBKCHBVVHGR-CTNGQTDRSA-N 2 0 378.476 3.131 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1c1ccccc1 ZINC000261691706 1433899254 /nfs/dbraw/zinc/89/92/54/1433899254.db2.gz JBFSULDQLZGBLH-PKTZIBPZSA-N 2 0 377.532 3.487 20 0 GGADRP Cc1cc(OCC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C(C)C ZINC000261794643 1433904482 /nfs/dbraw/zinc/90/44/82/1433904482.db2.gz ILWVOICRHXMTCN-UGKGYDQZSA-N 2 0 387.568 3.077 20 0 GGADRP Cc1cc(OCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C(C)C ZINC000261794642 1433904626 /nfs/dbraw/zinc/90/46/26/1433904626.db2.gz ILWVOICRHXMTCN-SIKLNZKXSA-N 2 0 387.568 3.077 20 0 GGADRP [NH3+]C[C@@H]1C[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261850967 1433907419 /nfs/dbraw/zinc/90/74/19/1433907419.db2.gz VJRCCOIQOOUKDY-VJBWXMMDSA-N 2 0 377.532 3.415 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261921098 1433913021 /nfs/dbraw/zinc/91/30/21/1433913021.db2.gz UYOKGPSLVMEQAR-DOTOQJQBSA-N 2 0 383.508 3.082 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261921105 1433913197 /nfs/dbraw/zinc/91/31/97/1433913197.db2.gz UYOKGPSLVMEQAR-RDJZCZTQSA-N 2 0 383.508 3.082 20 0 GGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000261927941 1433913643 /nfs/dbraw/zinc/91/36/43/1433913643.db2.gz CKPGITLJZCBSAZ-OAQYLSRUSA-N 2 0 381.520 3.085 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000261983575 1433919318 /nfs/dbraw/zinc/91/93/18/1433919318.db2.gz IZYTZMBFPYFODM-UHFFFAOYSA-N 2 0 375.532 3.075 20 0 GGADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261992930 1433920095 /nfs/dbraw/zinc/92/00/95/1433920095.db2.gz FETFWWWPKQBRHT-UHFFFAOYSA-N 2 0 384.549 3.461 20 0 GGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000262012756 1433922172 /nfs/dbraw/zinc/92/21/72/1433922172.db2.gz UXAHMSBKVCKVAK-UHFFFAOYSA-N 2 0 383.540 3.139 20 0 GGADRP C[C@]([NH3+])(C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000262020522 1433923006 /nfs/dbraw/zinc/92/30/06/1433923006.db2.gz YSBZZFQQADMONL-GOSISDBHSA-N 2 0 382.346 3.052 20 0 GGADRP Brc1ccc(-c2c[nH]c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000262093986 1433926688 /nfs/dbraw/zinc/92/66/88/1433926688.db2.gz VAZHQYWLTIRQTO-UHFFFAOYSA-N 2 0 375.314 3.415 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262095376 1433927063 /nfs/dbraw/zinc/92/70/63/1433927063.db2.gz VBGIEELMHJRNQY-UHFFFAOYSA-N 2 0 397.357 3.440 20 0 GGADRP c1c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000262168412 1433929398 /nfs/dbraw/zinc/92/93/98/1433929398.db2.gz UQEPBMISTQJNBH-HSZRJFAPSA-N 2 0 387.531 3.019 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@H]1c1cccs1 ZINC000262278897 1433933499 /nfs/dbraw/zinc/93/34/99/1433933499.db2.gz LKVKYBCCTMAVKH-QSEPHNOHSA-N 2 0 375.582 3.401 20 0 GGADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262304393 1433934367 /nfs/dbraw/zinc/93/43/67/1433934367.db2.gz OHDROCRACHIBEO-RYTJFDOTSA-N 2 0 377.495 3.263 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262320644 1433935097 /nfs/dbraw/zinc/93/50/97/1433935097.db2.gz FFTNTYPRSPJFHT-QSBBJCSSSA-N 2 0 383.580 3.413 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000262635563 1433947020 /nfs/dbraw/zinc/94/70/20/1433947020.db2.gz HNDATGZFSUSXFG-WTNAPCKOSA-N 2 0 381.520 3.284 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000262635562 1433947062 /nfs/dbraw/zinc/94/70/62/1433947062.db2.gz HNDATGZFSUSXFG-HSQYWUDLSA-N 2 0 381.520 3.284 20 0 GGADRP C[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262647336 1433947671 /nfs/dbraw/zinc/94/76/71/1433947671.db2.gz PBDFNEIJWOYDPS-YXTQBTIXSA-N 2 0 387.568 3.060 20 0 GGADRP C[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262647335 1433947707 /nfs/dbraw/zinc/94/77/07/1433947707.db2.gz PBDFNEIJWOYDPS-MOXWOTFGSA-N 2 0 387.568 3.060 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000262655838 1433948018 /nfs/dbraw/zinc/94/80/18/1433948018.db2.gz UNTPCDLDKGABFU-SLYNCCJLSA-N 2 0 375.557 3.220 20 0 GGADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262658144 1433948391 /nfs/dbraw/zinc/94/83/91/1433948391.db2.gz DPVMVMJZLJENBY-ZQAYVECASA-N 2 0 395.547 3.248 20 0 GGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262664083 1433948878 /nfs/dbraw/zinc/94/88/78/1433948878.db2.gz IDKWWGBUALMGRP-OAQYLSRUSA-N 2 0 385.939 3.238 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262686023 1433950236 /nfs/dbraw/zinc/95/02/36/1433950236.db2.gz XSQVJXQVPVAOIM-DYESRHJHSA-N 2 0 396.535 3.033 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752393 1433953917 /nfs/dbraw/zinc/95/39/17/1433953917.db2.gz ACTVHYKREJXHJN-WGGBDISSSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761802 1433954398 /nfs/dbraw/zinc/95/43/98/1433954398.db2.gz DNEIPCUEABEYTG-JWRIFHQMSA-N 2 0 387.568 3.030 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777282 1433955543 /nfs/dbraw/zinc/95/55/43/1433955543.db2.gz JSKBMYRKXQOQBD-NFBKMPQASA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1(C)C ZINC000262778824 1433955660 /nfs/dbraw/zinc/95/56/60/1433955660.db2.gz KEAGKFZBSZWHKH-DBXWQHBBSA-N 2 0 395.975 3.372 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789055 1433956147 /nfs/dbraw/zinc/95/61/47/1433956147.db2.gz NJKNEQHSNFQELY-REWPJTCUSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789051 1433956252 /nfs/dbraw/zinc/95/62/52/1433956252.db2.gz NJKNEQHSNFQELY-OFNKIYASSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796215 1433956949 /nfs/dbraw/zinc/95/69/49/1433956949.db2.gz PPBYINUJIRFNRG-NZQKXSOJSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262803864 1433957392 /nfs/dbraw/zinc/95/73/92/1433957392.db2.gz SAPYRPDGOSMYBM-YRISNDGFSA-N 2 0 393.597 3.170 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812392 1433958187 /nfs/dbraw/zinc/95/81/87/1433958187.db2.gz VMFWESLMBLARIF-BOCKYXSRSA-N 2 0 387.568 3.299 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818693 1433958434 /nfs/dbraw/zinc/95/84/34/1433958434.db2.gz XNWDYUHYYWOLLE-LLBVYWAGSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)C1(C)C ZINC000262815917 1433958439 /nfs/dbraw/zinc/95/84/39/1433958439.db2.gz WMWWJSYRRYWBRH-RXVVDRJESA-N 2 0 391.581 3.015 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262832919 1433960212 /nfs/dbraw/zinc/96/02/12/1433960212.db2.gz SEYVPSXPDVGUTA-NQIIRXRSSA-N 2 0 395.551 3.112 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@](C)([NH3+])c2ccccc2)ccc1OC ZINC000262904787 1433965605 /nfs/dbraw/zinc/96/56/05/1433965605.db2.gz QASDCHPEXUAYBX-JOCHJYFZSA-N 2 0 385.508 3.228 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262917315 1433966742 /nfs/dbraw/zinc/96/67/42/1433966742.db2.gz GLAJDEDSGNAXKF-DENIHFKCSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263197040 1433993939 /nfs/dbraw/zinc/99/39/39/1433993939.db2.gz INMAVMJMUQZGFQ-AOIWGVFYSA-N 2 0 383.458 3.304 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc(OC)c1 ZINC000263229173 1433996813 /nfs/dbraw/zinc/99/68/13/1433996813.db2.gz HQCLZQQUGQEHDZ-JITLKJJUSA-N 2 0 387.568 3.348 20 0 GGADRP c1cnn(C2(c3nc(-c4cccc(C[NH+]5CCCCC5)c4)no3)CC[NH2+]CC2)c1 ZINC000263231619 1433997439 /nfs/dbraw/zinc/99/74/39/1433997439.db2.gz NNIXFINNOFVVJP-UHFFFAOYSA-N 2 0 392.507 3.046 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271544 1434000014 /nfs/dbraw/zinc/00/00/14/1434000014.db2.gz XAOJRNHQNXUBIO-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000263307472 1434001219 /nfs/dbraw/zinc/00/12/19/1434001219.db2.gz YBKIFUHUSJKTJC-DENIHFKCSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000263307475 1434001422 /nfs/dbraw/zinc/00/14/22/1434001422.db2.gz YBKIFUHUSJKTJC-UGKGYDQZSA-N 2 0 386.540 3.347 20 0 GGADRP CCOc1c(OC)cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000263667989 1434017863 /nfs/dbraw/zinc/01/78/63/1434017863.db2.gz IZPZLMWDWNTLEY-IRXDYDNUSA-N 2 0 380.529 3.082 20 0 GGADRP CC[NH+]1CCC(n2nccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000263865411 1434043334 /nfs/dbraw/zinc/04/33/34/1434043334.db2.gz ZWEHBRZYWAUQPS-UHFFFAOYSA-N 2 0 395.551 3.391 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000264077473 1434069639 /nfs/dbraw/zinc/06/96/39/1434069639.db2.gz CMRMXYVYYWCAKJ-UHFFFAOYSA-N 2 0 390.572 3.033 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264333300 1434098447 /nfs/dbraw/zinc/09/84/47/1434098447.db2.gz XJUVPKMXIYCTJF-UHFFFAOYSA-N 2 0 387.568 3.293 20 0 GGADRP C[N@H+](CCCCCn1cccn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264359329 1434101643 /nfs/dbraw/zinc/10/16/43/1434101643.db2.gz JGEKYPGTCNCEDU-HSZRJFAPSA-N 2 0 384.568 3.431 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1OC ZINC000264378624 1434104671 /nfs/dbraw/zinc/10/46/71/1434104671.db2.gz NRIPWAMSVKZSMV-UHFFFAOYSA-N 2 0 382.508 3.353 20 0 GGADRP C[N@H+](CCCOCC(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264402933 1434108203 /nfs/dbraw/zinc/10/82/03/1434108203.db2.gz UHKLZFCRSBZDLP-IBGZPJMESA-N 2 0 388.474 3.333 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c(C)c2)CC1 ZINC000264637645 1434138263 /nfs/dbraw/zinc/13/82/63/1434138263.db2.gz VEZQLVCVKNTMLK-OAQYLSRUSA-N 2 0 399.583 3.229 20 0 GGADRP Cc1cnn(CCCCC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000264760719 1434152591 /nfs/dbraw/zinc/15/25/91/1434152591.db2.gz YQVLCIZXKJKBHH-UHFFFAOYSA-N 2 0 383.584 3.111 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)cc1)C(C)C ZINC000264849783 1434159441 /nfs/dbraw/zinc/15/94/41/1434159441.db2.gz BSPUQMINFWAYCB-UHFFFAOYSA-N 2 0 388.600 3.015 20 0 GGADRP Cc1ccc(OCc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cs2)cc1 ZINC000264944891 1434166511 /nfs/dbraw/zinc/16/65/11/1434166511.db2.gz ICYSGFMSWUCFAA-LJQANCHMSA-N 2 0 389.565 3.357 20 0 GGADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000265428216 1434233606 /nfs/dbraw/zinc/23/36/06/1434233606.db2.gz UGWCCQLKMVNPRI-LJQANCHMSA-N 2 0 388.556 3.293 20 0 GGADRP C[N@H+](Cc1ccccc1NC(=O)NCC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000265974132 1434290821 /nfs/dbraw/zinc/29/08/21/1434290821.db2.gz XPKKPFABIUJWJS-UHFFFAOYSA-N 2 0 388.556 3.029 20 0 GGADRP COc1cc(NC(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)cc1Cl ZINC000266757790 1434372006 /nfs/dbraw/zinc/37/20/06/1434372006.db2.gz SKPVAEYBMOGHIZ-UHFFFAOYSA-N 2 0 397.947 3.490 20 0 GGADRP C[NH+]1CCC(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000266940973 1434390707 /nfs/dbraw/zinc/39/07/07/1434390707.db2.gz VLRANBLAFMDAIT-GOSISDBHSA-N 2 0 397.485 3.241 20 0 GGADRP C[NH+]1CCC(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000266940976 1434390835 /nfs/dbraw/zinc/39/08/35/1434390835.db2.gz VLRANBLAFMDAIT-SFHVURJKSA-N 2 0 397.485 3.241 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000267298163 1434420516 /nfs/dbraw/zinc/42/05/16/1434420516.db2.gz FANNXQFOAZBICX-GCJKJVERSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000267333833 1434423725 /nfs/dbraw/zinc/42/37/25/1434423725.db2.gz MLQVKQXWRPFNSK-WIYYLYMNSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000267359323 1434425582 /nfs/dbraw/zinc/42/55/82/1434425582.db2.gz IZQNSTCFNCKSEZ-BAGYTPMASA-N 2 0 384.568 3.024 20 0 GGADRP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267364100 1434425935 /nfs/dbraw/zinc/42/59/35/1434425935.db2.gz XAYMQMIJWPXZSC-FQEVSTJZSA-N 2 0 398.595 3.202 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000267841382 1434469849 /nfs/dbraw/zinc/46/98/49/1434469849.db2.gz BFQSRHSALAAGAV-FQEVSTJZSA-N 2 0 387.524 3.116 20 0 GGADRP CN(c1ccccc1C[NH2+]Cc1cccc(-n2cncn2)c1)C1CC[NH+](C)CC1 ZINC000268365164 1434515787 /nfs/dbraw/zinc/51/57/87/1434515787.db2.gz QIWVLCBOGNPHIU-UHFFFAOYSA-N 2 0 390.535 3.088 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000268400596 1434519326 /nfs/dbraw/zinc/51/93/26/1434519326.db2.gz CEFLBOYRLSCHQD-UHFFFAOYSA-N 2 0 376.932 3.065 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc(OCC[NH+](C)C)c1 ZINC000268771338 1434555202 /nfs/dbraw/zinc/55/52/02/1434555202.db2.gz PYAFAZJHILPTSP-GOSISDBHSA-N 2 0 379.508 3.118 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000268783869 1434556785 /nfs/dbraw/zinc/55/67/85/1434556785.db2.gz QSGVTWCTJIFFBI-SFHVURJKSA-N 2 0 394.523 3.234 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000268800686 1434558614 /nfs/dbraw/zinc/55/86/14/1434558614.db2.gz AGGDAFGBYGVGPW-KRWDZBQOSA-N 2 0 395.975 3.168 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268806401 1434559490 /nfs/dbraw/zinc/55/94/90/1434559490.db2.gz BYKMPVLOJWXLGF-KRWDZBQOSA-N 2 0 376.545 3.368 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268840921 1434563442 /nfs/dbraw/zinc/56/34/42/1434563442.db2.gz QSAFNPLZNKDVKJ-QGZVFWFLSA-N 2 0 381.520 3.370 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268865904 1434565813 /nfs/dbraw/zinc/56/58/13/1434565813.db2.gz KNIBGPXCVQTDRV-OALUTQOASA-N 2 0 389.588 3.141 20 0 GGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000268866315 1434565974 /nfs/dbraw/zinc/56/59/74/1434565974.db2.gz JCCZQIKRSISCLA-GOSISDBHSA-N 2 0 397.519 3.477 20 0 GGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875026 1434567041 /nfs/dbraw/zinc/56/70/41/1434567041.db2.gz GTWFUXVZLQCRDP-SIKLNZKXSA-N 2 0 393.531 3.170 20 0 GGADRP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268911085 1434570180 /nfs/dbraw/zinc/57/01/80/1434570180.db2.gz NAVKNKQMONZMCJ-AOMKIAJQSA-N 2 0 388.508 3.028 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000268963813 1434576189 /nfs/dbraw/zinc/57/61/89/1434576189.db2.gz BLEYKVJIVIBVJJ-YJMBLLCNSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268963810 1434576266 /nfs/dbraw/zinc/57/62/66/1434576266.db2.gz BLEYKVJIVIBVJJ-GBAJDQEWSA-N 2 0 384.568 3.023 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)s2)cc1 ZINC000268963828 1434576281 /nfs/dbraw/zinc/57/62/81/1434576281.db2.gz GGWXXTPJEPFDOT-CQSZACIVSA-N 2 0 375.538 3.234 20 0 GGADRP COc1ccc(C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000268970601 1434577003 /nfs/dbraw/zinc/57/70/03/1434577003.db2.gz ICEOZYAACIDBBV-JOCHJYFZSA-N 2 0 384.520 3.034 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000268985542 1434578897 /nfs/dbraw/zinc/57/88/97/1434578897.db2.gz FLQHKUNUAKABRD-QZTJIDSGSA-N 2 0 388.556 3.368 20 0 GGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000268997896 1434579995 /nfs/dbraw/zinc/57/99/95/1434579995.db2.gz INOAVOQUWHAVJA-MRXNPFEDSA-N 2 0 381.948 3.190 20 0 GGADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCC3)cc1 ZINC000268998145 1434580033 /nfs/dbraw/zinc/58/00/33/1434580033.db2.gz OIZSGESWJQSEEV-KRWDZBQOSA-N 2 0 387.549 3.242 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269124193 1434595018 /nfs/dbraw/zinc/59/50/18/1434595018.db2.gz FAYMGHSEARIYRN-UHFFFAOYSA-N 2 0 395.547 3.195 20 0 GGADRP Cc1nccn1CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000269196774 1434605438 /nfs/dbraw/zinc/60/54/38/1434605438.db2.gz GRCRQHDLZQXUID-UXHICEINSA-N 2 0 378.480 3.006 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000269224787 1434609662 /nfs/dbraw/zinc/60/96/62/1434609662.db2.gz CLQKQPWLYIKNJI-UHFFFAOYSA-N 2 0 380.492 3.183 20 0 GGADRP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000269249637 1434613273 /nfs/dbraw/zinc/61/32/73/1434613273.db2.gz GIZBXKINLXOLJQ-WOJBJXKFSA-N 2 0 378.520 3.075 20 0 GGADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000269249631 1434613325 /nfs/dbraw/zinc/61/33/25/1434613325.db2.gz GIZBXKINLXOLJQ-PMACEKPBSA-N 2 0 378.520 3.075 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000269283521 1434617440 /nfs/dbraw/zinc/61/74/40/1434617440.db2.gz GXLNOESRQFGCNK-HTAPYJJXSA-N 2 0 396.535 3.112 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269283523 1434617500 /nfs/dbraw/zinc/61/75/00/1434617500.db2.gz GXLNOESRQFGCNK-JTSKRJEESA-N 2 0 396.535 3.112 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000269283527 1434617709 /nfs/dbraw/zinc/61/77/09/1434617709.db2.gz GXLNOESRQFGCNK-VGSWGCGISA-N 2 0 396.535 3.112 20 0 GGADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)nc2)C1 ZINC000269468397 1434650264 /nfs/dbraw/zinc/65/02/64/1434650264.db2.gz YAGOREAZQSJHSU-OAQYLSRUSA-N 2 0 393.535 3.070 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000269482140 1434652051 /nfs/dbraw/zinc/65/20/51/1434652051.db2.gz GESFITAMOROOIS-AYOQOUSVSA-N 2 0 376.570 3.009 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000269534206 1434657109 /nfs/dbraw/zinc/65/71/09/1434657109.db2.gz XWVGOMXSJUNALH-HXUWFJFHSA-N 2 0 399.535 3.122 20 0 GGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269704630 1434670706 /nfs/dbraw/zinc/67/07/06/1434670706.db2.gz QJYSRBCGWRDHGF-FYYLOGMGSA-N 2 0 381.564 3.374 20 0 GGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269704633 1434670774 /nfs/dbraw/zinc/67/07/74/1434670774.db2.gz QJYSRBCGWRDHGF-GGAORHGYSA-N 2 0 381.564 3.374 20 0 GGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)CC1 ZINC000270064243 1434698641 /nfs/dbraw/zinc/69/86/41/1434698641.db2.gz GZOLKSXHNCJTEN-JOCHJYFZSA-N 2 0 384.568 3.156 20 0 GGADRP COc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1-c1ccccn1 ZINC000270082613 1434700830 /nfs/dbraw/zinc/70/08/30/1434700830.db2.gz XLSCXTVXPMCBDS-UHFFFAOYSA-N 2 0 398.551 3.103 20 0 GGADRP COCC[N@H+](C)CCCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000271021199 1434796472 /nfs/dbraw/zinc/79/64/72/1434796472.db2.gz YSTPXSCWHYLPQI-UHFFFAOYSA-N 2 0 381.586 3.020 20 0 GGADRP COCCCNC(=O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000271118687 1434803106 /nfs/dbraw/zinc/80/31/06/1434803106.db2.gz FSJSLRDZMCUDIR-UHFFFAOYSA-N 2 0 389.584 3.009 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)CC1 ZINC000271181858 1434806735 /nfs/dbraw/zinc/80/67/35/1434806735.db2.gz CPLQSBOBQLSMKT-UHFFFAOYSA-N 2 0 395.551 3.259 20 0 GGADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271199593 1434807689 /nfs/dbraw/zinc/80/76/89/1434807689.db2.gz INROCNPPTYDOKX-UHFFFAOYSA-N 2 0 381.568 3.376 20 0 GGADRP C[C@H](C[NH+]1CC[C@@H](C)[C@H](n2ccnc2)C1)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271288637 1434813338 /nfs/dbraw/zinc/81/33/38/1434813338.db2.gz MDPNOPJLMFCCMR-QMCAAQAGSA-N 2 0 384.572 3.182 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000271430136 1434824151 /nfs/dbraw/zinc/82/41/51/1434824151.db2.gz XHYHCWKYWJFZLJ-UHFFFAOYSA-N 2 0 378.520 3.324 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271517198 1434831176 /nfs/dbraw/zinc/83/11/76/1434831176.db2.gz OZUBKSFAAPWONK-DQLDELGASA-N 2 0 388.556 3.245 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271567306 1434835661 /nfs/dbraw/zinc/83/56/61/1434835661.db2.gz YAPROQIQYQYESE-HSQYWUDLSA-N 2 0 398.551 3.028 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271859039 1434855438 /nfs/dbraw/zinc/85/54/38/1434855438.db2.gz NPELNZSQWCICCJ-MRXNPFEDSA-N 2 0 375.538 3.025 20 0 GGADRP CC[N@H+](CCCC1CC[NH+](CCCn2ccnc2)CC1)CCCn1ccnc1 ZINC000272059685 1434869513 /nfs/dbraw/zinc/86/95/13/1434869513.db2.gz RVIYFQAXPIDUEO-UHFFFAOYSA-N 2 0 386.588 3.374 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)ccn2)CC1 ZINC000272096228 1434871821 /nfs/dbraw/zinc/87/18/21/1434871821.db2.gz FORDSOGMHSNZNA-UHFFFAOYSA-N 2 0 396.535 3.079 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272132843 1434873957 /nfs/dbraw/zinc/87/39/57/1434873957.db2.gz BXZZZNDGFBFFED-GOSISDBHSA-N 2 0 375.557 3.210 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272132846 1434873981 /nfs/dbraw/zinc/87/39/81/1434873981.db2.gz BXZZZNDGFBFFED-SFHVURJKSA-N 2 0 375.557 3.210 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212409 1434878329 /nfs/dbraw/zinc/87/83/29/1434878329.db2.gz QJJNJXTXVZUVQT-AZUAARDMSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212424 1434878384 /nfs/dbraw/zinc/87/83/84/1434878384.db2.gz QJJNJXTXVZUVQT-UYAOXDASSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307452 1434886019 /nfs/dbraw/zinc/88/60/19/1434886019.db2.gz IBIIUPNVMYUCCE-UEXGIBASSA-N 2 0 376.508 3.224 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272343123 1434888747 /nfs/dbraw/zinc/88/87/47/1434888747.db2.gz BWTFKUSJKVNJHX-PZJWPPBQSA-N 2 0 398.551 3.263 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272343124 1434888768 /nfs/dbraw/zinc/88/87/68/1434888768.db2.gz BWTFKUSJKVNJHX-TZIWHRDSSA-N 2 0 398.551 3.263 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400186 1434893982 /nfs/dbraw/zinc/89/39/82/1434893982.db2.gz YSPHCUZGOQVKFJ-WWPVKYPJSA-N 2 0 398.595 3.270 20 0 GGADRP c1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000272424075 1434895351 /nfs/dbraw/zinc/89/53/51/1434895351.db2.gz MFMSSXVEFUGJRK-XMMPIXPASA-N 2 0 387.531 3.368 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272468117 1434898364 /nfs/dbraw/zinc/89/83/64/1434898364.db2.gz HYGUMRCJLBXPML-VXSCBNMQSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272470370 1434898551 /nfs/dbraw/zinc/89/85/51/1434898551.db2.gz IFPXLWIKYIOWKK-BVSLBCMMSA-N 2 0 384.568 3.024 20 0 GGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000272472525 1434898706 /nfs/dbraw/zinc/89/87/06/1434898706.db2.gz QKWHTNRMAPFDQS-FXAWDEMLSA-N 2 0 390.959 3.040 20 0 GGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000272472538 1434898715 /nfs/dbraw/zinc/89/87/15/1434898715.db2.gz QKWHTNRMAPFDQS-YLJYHZDGSA-N 2 0 390.959 3.040 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272534812 1434905065 /nfs/dbraw/zinc/90/50/65/1434905065.db2.gz PDWOYLSULQSAJV-VXSCBNMQSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272543437 1434906141 /nfs/dbraw/zinc/90/61/41/1434906141.db2.gz QDTYTHULIFLKAY-UGKGYDQZSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000272579361 1434910237 /nfs/dbraw/zinc/91/02/37/1434910237.db2.gz MGKNYCNIVWVGLJ-YJMBLLCNSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272659469 1434920552 /nfs/dbraw/zinc/92/05/52/1434920552.db2.gz MPKDFGIKIDMJAL-KNQAVFIVSA-N 2 0 392.547 3.186 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668508 1434921085 /nfs/dbraw/zinc/92/10/85/1434921085.db2.gz OSHQSZFYVHHGTR-CVDCTZTESA-N 2 0 375.520 3.327 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668510 1434921167 /nfs/dbraw/zinc/92/11/67/1434921167.db2.gz OSHQSZFYVHHGTR-XXBNENTESA-N 2 0 375.520 3.327 20 0 GGADRP C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000272694797 1434923498 /nfs/dbraw/zinc/92/34/98/1434923498.db2.gz DDBRVKLDSIFPQD-MOXWOTFGSA-N 2 0 384.568 3.093 20 0 GGADRP C[N@@H+]1CCN(CCC[NH2+]C2CCN(c3nccs3)CC2)[C@@H](c2ccccc2)C1 ZINC000272775049 1434930186 /nfs/dbraw/zinc/93/01/86/1434930186.db2.gz YCQMICCFXFQHGJ-OAQYLSRUSA-N 2 0 399.608 3.080 20 0 GGADRP Fc1ccc(CC[NH+]2CCC(NCC3([NH+]4CCCC4)CCOCC3)CC2)cc1 ZINC000272958205 1434944027 /nfs/dbraw/zinc/94/40/27/1434944027.db2.gz ZPVVOIDQLLMCNH-UHFFFAOYSA-N 2 0 389.559 3.067 20 0 GGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272986303 1434946885 /nfs/dbraw/zinc/94/68/85/1434946885.db2.gz PONFUFSWKIAYQC-CNNODRBYSA-N 2 0 384.568 3.331 20 0 GGADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272986313 1434946941 /nfs/dbraw/zinc/94/69/41/1434946941.db2.gz PONFUFSWKIAYQC-XQBPLPMBSA-N 2 0 384.568 3.331 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000272994104 1434947976 /nfs/dbraw/zinc/94/79/76/1434947976.db2.gz QKBKVZATCHXSDA-TZIWHRDSSA-N 2 0 384.568 3.190 20 0 GGADRP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000273045697 1434954636 /nfs/dbraw/zinc/95/46/36/1434954636.db2.gz PXLHJTLZCMGBHT-TXLWKQMCSA-N 2 0 384.568 3.199 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000273340815 1434982064 /nfs/dbraw/zinc/98/20/64/1434982064.db2.gz LBMFFOQGSQSLRP-GOSISDBHSA-N 2 0 383.536 3.454 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273407913 1434986806 /nfs/dbraw/zinc/98/68/06/1434986806.db2.gz IDTKAEWLYQCSPD-NNMXDRDESA-N 2 0 386.584 3.269 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273410920 1434987081 /nfs/dbraw/zinc/98/70/81/1434987081.db2.gz ISRSMJDSHAIJKZ-WOIUINJBSA-N 2 0 386.584 3.411 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000273522628 1434994373 /nfs/dbraw/zinc/99/43/73/1434994373.db2.gz YZTFYEQQWSIMJR-IBGZPJMESA-N 2 0 386.584 3.065 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784942 1435092347 /nfs/dbraw/zinc/09/23/47/1435092347.db2.gz AQUHYMPEIDBYHM-IHLLOCCUSA-N 2 0 396.531 3.129 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000274812380 1435094870 /nfs/dbraw/zinc/09/48/70/1435094870.db2.gz DSSIMRZSRZTNPD-UHFFFAOYSA-N 2 0 399.535 3.241 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000274830414 1435096341 /nfs/dbraw/zinc/09/63/41/1435096341.db2.gz JKXQRXYUWTUIIH-AZUAARDMSA-N 2 0 386.540 3.396 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000274840650 1435097299 /nfs/dbraw/zinc/09/72/99/1435097299.db2.gz UBSAJBUPUQIMPO-SFHVURJKSA-N 2 0 387.572 3.023 20 0 GGADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854448 1435098083 /nfs/dbraw/zinc/09/80/83/1435098083.db2.gz RXDVFZRFYRWGEQ-PMOQBDJRSA-N 2 0 398.547 3.073 20 0 GGADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854456 1435098113 /nfs/dbraw/zinc/09/81/13/1435098113.db2.gz RXDVFZRFYRWGEQ-WWPVKYPJSA-N 2 0 398.547 3.073 20 0 GGADRP COC(=O)c1ccc(-c2ccc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)o2)cc1 ZINC000274867459 1435099308 /nfs/dbraw/zinc/09/93/08/1435099308.db2.gz UYVOHGYDNNCTQL-UHFFFAOYSA-N 2 0 386.492 3.058 20 0 GGADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000274872524 1435099933 /nfs/dbraw/zinc/09/99/33/1435099933.db2.gz FXUYMQCAJHIJRE-WIYYLYMNSA-N 2 0 384.520 3.067 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274872578 1435099948 /nfs/dbraw/zinc/09/99/48/1435099948.db2.gz GAQFUJFSMGCHGW-PGRDOPGGSA-N 2 0 386.561 3.231 20 0 GGADRP C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274879281 1435100439 /nfs/dbraw/zinc/10/04/39/1435100439.db2.gz HGNACYXJIQRQMX-RXVVDRJESA-N 2 0 381.520 3.012 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894723 1435101666 /nfs/dbraw/zinc/10/16/66/1435101666.db2.gz JZQIFEHTJSAMRW-SIKLNZKXSA-N 2 0 375.520 3.327 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274903690 1435102473 /nfs/dbraw/zinc/10/24/73/1435102473.db2.gz LSBYODIMVDCEFO-PGRDOPGGSA-N 2 0 386.561 3.231 20 0 GGADRP C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274955868 1435105779 /nfs/dbraw/zinc/10/57/79/1435105779.db2.gz VXKQDWMWWMVGRQ-XXBNENTESA-N 2 0 379.548 3.431 20 0 GGADRP C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274955862 1435105786 /nfs/dbraw/zinc/10/57/86/1435105786.db2.gz VXKQDWMWWMVGRQ-WMZHIEFXSA-N 2 0 379.548 3.431 20 0 GGADRP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000275399701 1435136736 /nfs/dbraw/zinc/13/67/36/1435136736.db2.gz CJSMYNBCYKSRNQ-IIDPUWFRSA-N 2 0 380.536 3.140 20 0 GGADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000275598809 1435151588 /nfs/dbraw/zinc/15/15/88/1435151588.db2.gz FIFZFKXQTSJQAT-UHFFFAOYSA-N 2 0 382.508 3.167 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000275614019 1435152933 /nfs/dbraw/zinc/15/29/33/1435152933.db2.gz IRCLGXWXVSMOKU-UHFFFAOYSA-N 2 0 380.536 3.011 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000275643928 1435155683 /nfs/dbraw/zinc/15/56/83/1435155683.db2.gz MBGXWECYVJUNEN-OAQYLSRUSA-N 2 0 394.563 3.477 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000275705236 1435161411 /nfs/dbraw/zinc/16/14/11/1435161411.db2.gz TXQQALYREAQKBA-UHFFFAOYSA-N 2 0 381.524 3.224 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000275744620 1435164921 /nfs/dbraw/zinc/16/49/21/1435164921.db2.gz ZGYYXIOEIQEOQL-UHFFFAOYSA-N 2 0 384.524 3.053 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000275804085 1435171152 /nfs/dbraw/zinc/17/11/52/1435171152.db2.gz DFKIVBIOIIFIGL-YTFSRNRJSA-N 2 0 397.567 3.075 20 0 GGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000275914629 1435179384 /nfs/dbraw/zinc/17/93/84/1435179384.db2.gz UWVJZWWLKYRPPL-OAQYLSRUSA-N 2 0 382.483 3.411 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)n[nH]1 ZINC000275928009 1435180241 /nfs/dbraw/zinc/18/02/41/1435180241.db2.gz QZZGRNXGGRNHJN-CEMLEFRQSA-N 2 0 379.552 3.187 20 0 GGADRP Cc1cc(N2CCC([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000276121648 1435192362 /nfs/dbraw/zinc/19/23/62/1435192362.db2.gz YWTWDZMJSZDWGI-UHFFFAOYSA-N 2 0 396.583 3.007 20 0 GGADRP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000276499520 1435214642 /nfs/dbraw/zinc/21/46/42/1435214642.db2.gz URGUNXJCLNFTPC-UHFFFAOYSA-N 2 0 389.584 3.085 20 0 GGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276504203 1435214982 /nfs/dbraw/zinc/21/49/82/1435214982.db2.gz PQMCJWJGPSUVPW-OAQYLSRUSA-N 2 0 389.588 3.057 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276530849 1435215871 /nfs/dbraw/zinc/21/58/71/1435215871.db2.gz CRZCIAANPJZTRJ-NRFANRHFSA-N 2 0 391.559 3.359 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000276726914 1435228432 /nfs/dbraw/zinc/22/84/32/1435228432.db2.gz CKPFKAHONOBKNW-UHFFFAOYSA-N 2 0 381.520 3.057 20 0 GGADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276735361 1435228786 /nfs/dbraw/zinc/22/87/86/1435228786.db2.gz YXPHHZMEPBHCLP-UHFFFAOYSA-N 2 0 395.572 3.484 20 0 GGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1O ZINC000276968386 1435248149 /nfs/dbraw/zinc/24/81/49/1435248149.db2.gz CMIXURSQFVQSLC-UTKZUKDTSA-N 2 0 384.520 3.078 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1O ZINC000276968389 1435248171 /nfs/dbraw/zinc/24/81/71/1435248171.db2.gz CMIXURSQFVQSLC-UWJYYQICSA-N 2 0 384.520 3.078 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000277056185 1435257156 /nfs/dbraw/zinc/25/71/56/1435257156.db2.gz IZBJJPCTIYKMSC-HXUWFJFHSA-N 2 0 388.556 3.499 20 0 GGADRP COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)[C@H](C)[C@H](C)[NH3+])CC2 ZINC000277111753 1435263124 /nfs/dbraw/zinc/26/31/24/1435263124.db2.gz VOEIVRAJZKPRTA-CVEARBPZSA-N 2 0 397.519 3.184 20 0 GGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1O ZINC000277233074 1435282541 /nfs/dbraw/zinc/28/25/41/1435282541.db2.gz NJTFHUMXFZEBER-GOSISDBHSA-N 2 0 398.547 3.468 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1O ZINC000277242881 1435284167 /nfs/dbraw/zinc/28/41/67/1435284167.db2.gz ONGRNKVIRAVWHA-PWIZWCRZSA-N 2 0 376.541 3.079 20 0 GGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OCc1cccnc1 ZINC000277646367 1435318724 /nfs/dbraw/zinc/31/87/24/1435318724.db2.gz DGZVMGWWCMUOSO-LJQANCHMSA-N 2 0 399.535 3.260 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)c(C)c2)CC1 ZINC000277693664 1435322518 /nfs/dbraw/zinc/32/25/18/1435322518.db2.gz CJTIQQDYONEBIJ-UHFFFAOYSA-N 2 0 399.583 3.133 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000278029777 1435351816 /nfs/dbraw/zinc/35/18/16/1435351816.db2.gz BCIUOBVEERZYNH-UHFFFAOYSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278031542 1435352019 /nfs/dbraw/zinc/35/20/19/1435352019.db2.gz KCRRPKLQQPCBMH-AVRDEDQJSA-N 2 0 384.568 3.071 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278094546 1435358671 /nfs/dbraw/zinc/35/86/71/1435358671.db2.gz ITTXAGAHVGLYCH-UHFFFAOYSA-N 2 0 399.583 3.204 20 0 GGADRP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278506204 1435395742 /nfs/dbraw/zinc/39/57/42/1435395742.db2.gz QXSGYZRRQOKWSR-MYGLTJDJSA-N 2 0 379.552 3.174 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000278564041 1435400287 /nfs/dbraw/zinc/40/02/87/1435400287.db2.gz JPRVQZWOHZQOAA-UHFFFAOYSA-N 2 0 378.520 3.072 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)cc1)C(C)C ZINC000278859899 1435432212 /nfs/dbraw/zinc/43/22/12/1435432212.db2.gz MYGMJONVXIZHBM-LJQANCHMSA-N 2 0 387.568 3.242 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279533825 1435510675 /nfs/dbraw/zinc/51/06/75/1435510675.db2.gz UWQLBTBONCJXDR-YJBOKZPZSA-N 2 0 379.907 3.217 20 0 GGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279705292 1435532924 /nfs/dbraw/zinc/53/29/24/1435532924.db2.gz KEVRMIDLPAPNQS-TYBLODHISA-N 2 0 395.591 3.234 20 0 GGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279776137 1435541571 /nfs/dbraw/zinc/54/15/71/1435541571.db2.gz AORSROGKKNRGBZ-HSZRJFAPSA-N 2 0 394.494 3.258 20 0 GGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000279851874 1435552020 /nfs/dbraw/zinc/55/20/20/1435552020.db2.gz IKCFBNMJWPNDOY-ROUUACIJSA-N 2 0 398.551 3.132 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000279907300 1435561198 /nfs/dbraw/zinc/56/11/98/1435561198.db2.gz LPLKNVOKYAYWTA-OALUTQOASA-N 2 0 377.573 3.203 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000279961704 1435569914 /nfs/dbraw/zinc/56/99/14/1435569914.db2.gz CIDRXHOIBVXLHC-RBBKRZOGSA-N 2 0 396.531 3.438 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000279961695 1435570151 /nfs/dbraw/zinc/57/01/51/1435570151.db2.gz CIDRXHOIBVXLHC-IFMALSPDSA-N 2 0 396.531 3.438 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000280024233 1435578515 /nfs/dbraw/zinc/57/85/15/1435578515.db2.gz HOYZUWAVNVYJKU-PZJWPPBQSA-N 2 0 382.504 3.048 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000280136289 1435597863 /nfs/dbraw/zinc/59/78/63/1435597863.db2.gz PIERPWOQSRZVET-OAHLLOKOSA-N 2 0 396.578 3.333 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000280168804 1435602537 /nfs/dbraw/zinc/60/25/37/1435602537.db2.gz RBOUTSWYTDHABA-JOCHJYFZSA-N 2 0 396.531 3.438 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CC2 ZINC000280218766 1435611131 /nfs/dbraw/zinc/61/11/31/1435611131.db2.gz UNVRVQBKIIPRLI-JOCHJYFZSA-N 2 0 395.547 3.228 20 0 GGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000280556726 1435679182 /nfs/dbraw/zinc/67/91/82/1435679182.db2.gz JDKGJJOBXSFRSC-JOCHJYFZSA-N 2 0 380.536 3.412 20 0 GGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000280556727 1435679239 /nfs/dbraw/zinc/67/92/39/1435679239.db2.gz JDKGJJOBXSFRSC-QFIPXVFZSA-N 2 0 380.536 3.412 20 0 GGADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000280752673 1435714601 /nfs/dbraw/zinc/71/46/01/1435714601.db2.gz QAAZLGUTMIPVMS-NRFANRHFSA-N 2 0 384.499 3.303 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000280959382 1435747877 /nfs/dbraw/zinc/74/78/77/1435747877.db2.gz SFZFEFKKIAJUMS-KZNAEPCWSA-N 2 0 376.541 3.286 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000280959386 1435747903 /nfs/dbraw/zinc/74/79/03/1435747903.db2.gz SFZFEFKKIAJUMS-SQNIBIBYSA-N 2 0 376.541 3.286 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280978994 1435750565 /nfs/dbraw/zinc/75/05/65/1435750565.db2.gz WACGZPCNDSEGFS-SFHVURJKSA-N 2 0 399.988 3.163 20 0 GGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000281043271 1435762291 /nfs/dbraw/zinc/76/22/91/1435762291.db2.gz ZPCWSYUCQLUSOI-ZWKOTPCHSA-N 2 0 398.551 3.132 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000281120351 1435778701 /nfs/dbraw/zinc/77/87/01/1435778701.db2.gz DCPSAQCJXMRYOW-SFTDATJTSA-N 2 0 379.552 3.353 20 0 GGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281163605 1435787189 /nfs/dbraw/zinc/78/71/89/1435787189.db2.gz KTKYRDHKBYKRNX-SFHVURJKSA-N 2 0 378.586 3.087 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)C1 ZINC000281172539 1435789414 /nfs/dbraw/zinc/78/94/14/1435789414.db2.gz HYZKTSQETQFGID-UGKGYDQZSA-N 2 0 396.510 3.159 20 0 GGADRP COc1cc(NC(=O)CC[N@H+](C)CCC[NH+]2CCCC2)c(OC)cc1Cl ZINC000281211097 1435796820 /nfs/dbraw/zinc/79/68/20/1435796820.db2.gz DFGSCVRFZAQMRP-UHFFFAOYSA-N 2 0 383.920 3.104 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccnn1-c1ccccc1 ZINC000281725889 1435819561 /nfs/dbraw/zinc/81/95/61/1435819561.db2.gz USEISJPSYXGIAS-GCJKJVERSA-N 2 0 376.504 3.290 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccnn1-c1ccccc1 ZINC000281725894 1435819581 /nfs/dbraw/zinc/81/95/81/1435819581.db2.gz USEISJPSYXGIAS-XMSQKQJNSA-N 2 0 376.504 3.290 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281887753 1435825509 /nfs/dbraw/zinc/82/55/09/1435825509.db2.gz ASXCFJRXDPXSCV-SIKLNZKXSA-N 2 0 399.579 3.095 20 0 GGADRP COCCC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000282131111 1435835863 /nfs/dbraw/zinc/83/58/63/1435835863.db2.gz BLOCRCXJCFKSTA-FQEVSTJZSA-N 2 0 375.488 3.419 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)[C@H](C)C1 ZINC000282208006 1435838477 /nfs/dbraw/zinc/83/84/77/1435838477.db2.gz IUZYQEGHDVDYPC-VQIMIIECSA-N 2 0 376.570 3.375 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)s2)cn1 ZINC000282270958 1435841093 /nfs/dbraw/zinc/84/10/93/1435841093.db2.gz OQNNVAHKLPDZGA-IBGZPJMESA-N 2 0 382.533 3.005 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)s2)cn1 ZINC000282339288 1435843690 /nfs/dbraw/zinc/84/36/90/1435843690.db2.gz VTVXHZARXNQECY-UHFFFAOYSA-N 2 0 396.560 3.395 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000282557319 1435851476 /nfs/dbraw/zinc/85/14/76/1435851476.db2.gz XRAVQXIKNMZPRB-OAQYLSRUSA-N 2 0 384.568 3.213 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000282769092 1435859650 /nfs/dbraw/zinc/85/96/50/1435859650.db2.gz JHQLUYGWROOKNW-QZTJIDSGSA-N 2 0 397.567 3.205 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282825289 1435861811 /nfs/dbraw/zinc/86/18/11/1435861811.db2.gz JGVMXJCKXNWRSU-NHCUHLMSSA-N 2 0 386.584 3.270 20 0 GGADRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282903855 1435865376 /nfs/dbraw/zinc/86/53/76/1435865376.db2.gz ZARPUPCAKPSBIM-UHFFFAOYSA-N 2 0 395.595 3.386 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000282994090 1435869349 /nfs/dbraw/zinc/86/93/49/1435869349.db2.gz FSQVKOLDUVOGOX-CLAROIROSA-N 2 0 386.536 3.136 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000282994101 1435869444 /nfs/dbraw/zinc/86/94/44/1435869444.db2.gz FSQVKOLDUVOGOX-MBDNFAEBSA-N 2 0 386.536 3.136 20 0 GGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489287 1435892280 /nfs/dbraw/zinc/89/22/80/1435892280.db2.gz XVSKQIJQVXAFSK-LEWJYISDSA-N 2 0 397.519 3.293 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000283813827 1435929165 /nfs/dbraw/zinc/92/91/65/1435929165.db2.gz BXJIHPLIFLWKBW-UHFFFAOYSA-N 2 0 380.536 3.445 20 0 GGADRP COc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc2c1OCO2 ZINC000283828735 1435931874 /nfs/dbraw/zinc/93/18/74/1435931874.db2.gz FAJQBLQHJATFRX-UHFFFAOYSA-N 2 0 384.476 3.187 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000284029442 1435976048 /nfs/dbraw/zinc/97/60/48/1435976048.db2.gz OARRKVFYAYDABV-UHFFFAOYSA-N 2 0 385.474 3.276 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284777552 1436049088 /nfs/dbraw/zinc/04/90/88/1436049088.db2.gz DXPSQVKJFXQQKW-UHFFFAOYSA-N 2 0 381.520 3.151 20 0 GGADRP [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164388096 718802670 /nfs/dbraw/zinc/80/26/70/718802670.db2.gz SJUOEOHJVYWMBI-UHFFFAOYSA-N 2 0 382.886 3.364 20 0 GGADRP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164413688 718880915 /nfs/dbraw/zinc/88/09/15/718880915.db2.gz KMHIUZGWYSCMTD-MRXNPFEDSA-N 2 0 398.473 3.210 20 0 GGADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC(C)C)cc[nH+]3)CC2)CC1 ZINC001164616409 719027800 /nfs/dbraw/zinc/02/78/00/719027800.db2.gz DCZIFCJRQAWCBS-UHFFFAOYSA-N 2 0 375.513 3.113 20 0 GGADRP c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)cc1 ZINC001164625980 719047167 /nfs/dbraw/zinc/04/71/67/719047167.db2.gz QAUJMWSPYDATBA-XUZZJYLKSA-N 2 0 392.547 3.140 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2)CC1 ZINC001164619622 719048940 /nfs/dbraw/zinc/04/89/40/719048940.db2.gz CZBKUUWMIDMURJ-LADGPHEKSA-N 3 0 392.547 3.138 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2)CC1 ZINC001164619627 719049074 /nfs/dbraw/zinc/04/90/74/719049074.db2.gz CZBKUUWMIDMURJ-VWNXMTODSA-N 3 0 392.547 3.138 20 0 GGADRP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nccc(C5CC[NH2+]CC5)n4)[C@@H]3C2)cc1 ZINC001164628799 719089453 /nfs/dbraw/zinc/08/94/53/719089453.db2.gz OIPOAXXVQQFWJO-RBBKRZOGSA-N 2 0 377.536 3.044 20 0 GGADRP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626722 719092090 /nfs/dbraw/zinc/09/20/90/719092090.db2.gz IOKXGACRBQYETL-UNMCSNQZSA-N 2 0 391.563 3.110 20 0 GGADRP [NH3+]C1([C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164627456 719117080 /nfs/dbraw/zinc/11/70/80/719117080.db2.gz KMDOKBICULVFII-WOJBJXKFSA-N 2 0 380.511 3.153 20 0 GGADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164735514 720526479 /nfs/dbraw/zinc/52/64/79/720526479.db2.gz ZALNJGWYHNKRQH-SFHVURJKSA-N 2 0 390.535 3.230 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1 ZINC001164735014 720532192 /nfs/dbraw/zinc/53/21/92/720532192.db2.gz MPBGMTOURNUCEH-TZIWHRDSSA-N 2 0 396.583 3.413 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1 ZINC001164736051 720532274 /nfs/dbraw/zinc/53/22/74/720532274.db2.gz UVYYNHPNKORRDZ-AZUAARDMSA-N 2 0 382.556 3.023 20 0 GGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164835519 720555744 /nfs/dbraw/zinc/55/57/44/720555744.db2.gz HQRIIIUGGKJJHI-DBXWQHBBSA-N 2 0 378.524 3.446 20 0 GGADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842459 720570215 /nfs/dbraw/zinc/57/02/15/720570215.db2.gz XMZSLXHNGPXTIF-ILWGZMRPSA-N 2 0 394.567 3.256 20 0 GGADRP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc2[nH]ccc21 ZINC001164841277 720588619 /nfs/dbraw/zinc/58/86/19/720588619.db2.gz RUKQFHGEMVMUAD-BBTUJRGHSA-N 2 0 378.524 3.446 20 0 GGADRP CN(C)c1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839752 720688632 /nfs/dbraw/zinc/68/86/32/720688632.db2.gz BOCZTAXUFUWYSX-OAQYLSRUSA-N 2 0 380.536 3.408 20 0 GGADRP Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C[NH3+])c1 ZINC001164842879 720705668 /nfs/dbraw/zinc/70/56/68/720705668.db2.gz ZQSOCMDIXSRRPA-NRFANRHFSA-N 2 0 380.536 3.109 20 0 GGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164790584 721450786 /nfs/dbraw/zinc/45/07/86/721450786.db2.gz ZUIWTSPKNQVOKF-OAQYLSRUSA-N 2 0 387.568 3.432 20 0 GGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164790237 721452436 /nfs/dbraw/zinc/45/24/36/721452436.db2.gz XNMJPFDBYVBOQB-FQEVSTJZSA-N 2 0 398.551 3.297 20 0 GGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164784145 721457663 /nfs/dbraw/zinc/45/76/63/721457663.db2.gz HBHQVXQKZBFWLH-NRFANRHFSA-N 2 0 387.568 3.432 20 0 GGADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908714 721557443 /nfs/dbraw/zinc/55/74/43/721557443.db2.gz RTIWCLSPQQSVHJ-IFMALSPDSA-N 2 0 396.510 3.157 20 0 GGADRP Cc1cc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH+]1 ZINC001164806717 721560112 /nfs/dbraw/zinc/56/01/12/721560112.db2.gz RFZJRMJEWNNNSS-ACRUOGEOSA-N 2 0 377.492 3.135 20 0 GGADRP Cc1cc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH+]1 ZINC001164806721 721560290 /nfs/dbraw/zinc/56/02/90/721560290.db2.gz RFZJRMJEWNNNSS-PCCBWWKXSA-N 2 0 377.492 3.135 20 0 GGADRP Cc1[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc2[nH]ccc21 ZINC001164805379 721572503 /nfs/dbraw/zinc/57/25/03/721572503.db2.gz NDKGDDVXSYNOCU-RZUBCFFCSA-N 2 0 377.492 3.135 20 0 GGADRP CN(C)c1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906708 721702181 /nfs/dbraw/zinc/70/21/81/721702181.db2.gz PDZIVNWDMFJYQS-HXUWFJFHSA-N 2 0 387.478 3.280 20 0 GGADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N(C)C)cc[nH+]2)CC1 ZINC001165020235 721840743 /nfs/dbraw/zinc/84/07/43/721840743.db2.gz GJUKLEANBMMBMX-UHFFFAOYSA-N 2 0 384.524 3.266 20 0 GGADRP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164925205 721867832 /nfs/dbraw/zinc/86/78/32/721867832.db2.gz MXGXBVOWZMLJID-PKTZIBPZSA-N 2 0 389.547 3.299 20 0 GGADRP C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165042540 721951772 /nfs/dbraw/zinc/95/17/72/721951772.db2.gz OEAKDYDNSHTZHS-UHFFFAOYSA-N 2 0 384.902 3.435 20 0 GGADRP c1cc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001164960491 722053074 /nfs/dbraw/zinc/05/30/74/722053074.db2.gz PMLPZQGJGGXAHZ-UHFFFAOYSA-N 2 0 377.492 3.077 20 0 GGADRP Cc1[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc2[nH]ccc21 ZINC001164960001 722058600 /nfs/dbraw/zinc/05/86/00/722058600.db2.gz CIFMNFJNDDQNNP-UHFFFAOYSA-N 2 0 391.519 3.385 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001177821590 1126150545 /nfs/dbraw/zinc/15/05/45/1126150545.db2.gz AEQAGOGBSJMXMG-VQTJNVASSA-N 2 0 396.453 3.251 20 0 GGADRP Ic1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000559327896 566541904 /nfs/dbraw/zinc/54/19/04/566541904.db2.gz IEYOOACNVVJBAB-UHFFFAOYSA-N 2 0 379.311 3.103 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000120890617 564342253 /nfs/dbraw/zinc/34/22/53/564342253.db2.gz HQQBUMLSNLJQFG-MAUKXSAKSA-N 2 0 396.373 3.136 20 0 GGADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br)CN1CC[NH+](C)CC1 ZINC000121002769 564348167 /nfs/dbraw/zinc/34/81/67/564348167.db2.gz RRTQAELNALRNGO-IIDMSEBBSA-N 2 0 380.374 3.471 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000121020724 564349317 /nfs/dbraw/zinc/34/93/17/564349317.db2.gz HYXHLHDRPFSMDT-YJBOKZPZSA-N 2 0 396.373 3.136 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000121107172 564354175 /nfs/dbraw/zinc/35/41/75/564354175.db2.gz XLPKPXVWUXDAPS-HZPDHXFCSA-N 2 0 398.389 3.382 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000123873626 564464032 /nfs/dbraw/zinc/46/40/32/564464032.db2.gz OEYQWVUEQJTBJE-UHFFFAOYSA-N 2 0 390.325 3.030 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000124355380 564479736 /nfs/dbraw/zinc/47/97/36/564479736.db2.gz MNIGOPICNGAJPU-IBGZPJMESA-N 2 0 398.364 3.439 20 0 GGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000128169705 564609690 /nfs/dbraw/zinc/60/96/90/564609690.db2.gz DORSDYZETQQNBX-DOTOQJQBSA-N 2 0 382.346 3.077 20 0 GGADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1 ZINC000128205286 564610404 /nfs/dbraw/zinc/61/04/04/564610404.db2.gz GLFAYJKPBZQQRE-RDJZCZTQSA-N 2 0 382.346 3.077 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056523014 564649954 /nfs/dbraw/zinc/64/99/54/564649954.db2.gz BKESWDDFUPZQHS-MRXNPFEDSA-N 2 0 375.340 3.397 20 0 GGADRP Brc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000061015807 564703945 /nfs/dbraw/zinc/70/39/45/564703945.db2.gz UHWNEOVEGPKZHT-UHFFFAOYSA-N 2 0 394.382 3.418 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000132384231 564741432 /nfs/dbraw/zinc/74/14/32/564741432.db2.gz XQKNZVLXLMYXKQ-MOPGFXCFSA-N 2 0 380.374 3.298 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000132384014 564742044 /nfs/dbraw/zinc/74/20/44/564742044.db2.gz XQKNZVLXLMYXKQ-RTBURBONSA-N 2 0 380.374 3.298 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000132372204 564742069 /nfs/dbraw/zinc/74/20/69/564742069.db2.gz WMECEHVYZCNHNI-MAUKXSAKSA-N 2 0 398.389 3.380 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)N1CC[NH+](C)CC1 ZINC000132429096 564743100 /nfs/dbraw/zinc/74/31/00/564743100.db2.gz VXNNWBRNFJWKTO-OALUTQOASA-N 2 0 398.364 3.437 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000133110994 564763936 /nfs/dbraw/zinc/76/39/36/564763936.db2.gz NUAKUUZPTLPNJJ-UHFFFAOYSA-N 2 0 391.741 3.060 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134295497 564799205 /nfs/dbraw/zinc/79/92/05/564799205.db2.gz BHIQWXCWAIIIPJ-KRWDZBQOSA-N 2 0 386.765 3.317 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)N1CC[NH+](C)CC1 ZINC000134308145 564800244 /nfs/dbraw/zinc/80/02/44/564800244.db2.gz NKMHTAJSNOAAJL-QZTJIDSGSA-N 2 0 398.364 3.437 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)CN1CC[NH+](C)CC1 ZINC000134378766 564801193 /nfs/dbraw/zinc/80/11/93/564801193.db2.gz SCNJQQVCPOXQHF-GUYCJALGSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000134388704 564802129 /nfs/dbraw/zinc/80/21/29/564802129.db2.gz NQYTXODCFUWKOU-SJKOYZFVSA-N 2 0 386.765 3.315 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000135298721 564826950 /nfs/dbraw/zinc/82/69/50/564826950.db2.gz WTPCZZMDSFYXID-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP Brc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000071939935 564858878 /nfs/dbraw/zinc/85/88/78/564858878.db2.gz IGRSGDCGYOTRPI-ZDUSSCGKSA-N 2 0 381.314 3.184 20 0 GGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1Br ZINC000150750979 564888723 /nfs/dbraw/zinc/88/87/23/564888723.db2.gz KSJWJUGGGSBXEV-OAHLLOKOSA-N 2 0 380.330 3.195 20 0 GGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1Br ZINC000150750995 564889081 /nfs/dbraw/zinc/88/90/81/564889081.db2.gz KSJWJUGGGSBXEV-HNNXBMFYSA-N 2 0 380.330 3.195 20 0 GGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1F ZINC000150834724 564892700 /nfs/dbraw/zinc/89/27/00/564892700.db2.gz QGFMRLKFQXELBY-AWEZNQCLSA-N 2 0 398.320 3.335 20 0 GGADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1F ZINC000150834690 564893335 /nfs/dbraw/zinc/89/33/35/564893335.db2.gz QGFMRLKFQXELBY-CQSZACIVSA-N 2 0 398.320 3.335 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000150990001 564900883 /nfs/dbraw/zinc/90/08/83/564900883.db2.gz QHHSDGFXIJLSKD-GOSISDBHSA-N 2 0 396.373 3.278 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097763 564905109 /nfs/dbraw/zinc/90/51/09/564905109.db2.gz VDLWJAJKXSBGED-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP Cc1cc(Br)cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000531569550 564914717 /nfs/dbraw/zinc/91/47/17/564914717.db2.gz QDVRGRUETCIQEM-UHFFFAOYSA-N 2 0 390.329 3.172 20 0 GGADRP CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152378259 564957249 /nfs/dbraw/zinc/95/72/49/564957249.db2.gz KGUVHXURVHMZTF-GFCCVEGCSA-N 2 0 375.847 3.154 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)N1CC[NH+](C)CC1 ZINC000105466742 564966823 /nfs/dbraw/zinc/96/68/23/564966823.db2.gz VFXRKBPYNFCNPC-HNNXBMFYSA-N 2 0 392.341 3.435 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105477066 564967222 /nfs/dbraw/zinc/96/72/22/564967222.db2.gz RRZPLVOYZCXTLR-UHFFFAOYSA-N 2 0 398.389 3.355 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)s3)c2)C1 ZINC000108421034 565011158 /nfs/dbraw/zinc/01/11/58/565011158.db2.gz AISHOTLKZDPDES-INIZCTEOSA-N 2 0 377.941 3.389 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278306 565032533 /nfs/dbraw/zinc/03/25/33/565032533.db2.gz JVQMWLHSEXRDFN-AWEZNQCLSA-N 2 0 375.314 3.290 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154354381 565034819 /nfs/dbraw/zinc/03/48/19/565034819.db2.gz PTABKCBERZOTNU-GOSISDBHSA-N 2 0 384.337 3.193 20 0 GGADRP Brc1cccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000110234846 565037613 /nfs/dbraw/zinc/03/76/13/565037613.db2.gz NLILSRZLENGAHP-UHFFFAOYSA-N 2 0 397.357 3.262 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000111386576 565054154 /nfs/dbraw/zinc/05/41/54/565054154.db2.gz FWIUQRTWVJXOHI-SFHVURJKSA-N 2 0 395.341 3.051 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000155033475 565059940 /nfs/dbraw/zinc/05/99/40/565059940.db2.gz HWUMDUDQINEEKF-CZUORRHYSA-N 2 0 384.387 3.212 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1Br ZINC000157602404 565138149 /nfs/dbraw/zinc/13/81/49/565138149.db2.gz KHXLWHLSVYDBLA-OAHLLOKOSA-N 2 0 397.361 3.329 20 0 GGADRP COc1ccc(Br)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301424 565185360 /nfs/dbraw/zinc/18/53/60/565185360.db2.gz UIELDPSEKMNWJL-LZLYRXPVSA-N 2 0 383.330 3.141 20 0 GGADRP Cc1c(Br)scc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000185193929 565185650 /nfs/dbraw/zinc/18/56/50/565185650.db2.gz MPNILZCMJKVQNE-UHFFFAOYSA-N 2 0 390.391 3.165 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300532 565185871 /nfs/dbraw/zinc/18/58/71/565185871.db2.gz PKTQCYZMYOBYNS-QILLFSRXSA-N 2 0 383.330 3.141 20 0 GGADRP COc1ccc(Br)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301425 565186134 /nfs/dbraw/zinc/18/61/34/565186134.db2.gz UIELDPSEKMNWJL-SOLBZPMBSA-N 2 0 383.330 3.141 20 0 GGADRP COc1ccc(Br)c(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371333105 565187568 /nfs/dbraw/zinc/18/75/68/565187568.db2.gz CKLJFRJCLYRFFZ-KRWDZBQOSA-N 2 0 396.373 3.058 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000158970900 565189645 /nfs/dbraw/zinc/18/96/45/565189645.db2.gz IKUXEZJGOJNGLQ-GUYCJALGSA-N 2 0 398.320 3.333 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000158971028 565189942 /nfs/dbraw/zinc/18/99/42/565189942.db2.gz IKUXEZJGOJNGLQ-DYVFJYSZSA-N 2 0 398.320 3.333 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294259590 565205445 /nfs/dbraw/zinc/20/54/45/565205445.db2.gz ZVWZACFCSXRSEQ-KDOFPFPSSA-N 2 0 384.362 3.250 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295122606 565246598 /nfs/dbraw/zinc/24/65/98/565246598.db2.gz XLZVWLAQYIVVTG-RJCAOGMDSA-N 2 0 380.330 3.381 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000271500622 565255515 /nfs/dbraw/zinc/25/55/15/565255515.db2.gz LUJCCCUUGSKRAG-MORSLUCNSA-N 2 0 397.357 3.486 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000271500625 565255863 /nfs/dbraw/zinc/25/58/63/565255863.db2.gz LUJCCCUUGSKRAG-VHSSKADRSA-N 2 0 397.357 3.486 20 0 GGADRP Cn1ccnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100557 565269515 /nfs/dbraw/zinc/26/95/15/565269515.db2.gz SKQNLUUHTOOEEQ-BBRMVZONSA-N 2 0 382.277 3.235 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186598434 565270813 /nfs/dbraw/zinc/27/08/13/565270813.db2.gz VNXZSYNNTUMJAC-CABCVRRESA-N 2 0 384.362 3.134 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000186999377 565301187 /nfs/dbraw/zinc/30/11/87/565301187.db2.gz POYIXKQYPJLKAY-AWEZNQCLSA-N 2 0 387.341 3.052 20 0 GGADRP NC(=O)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000162099331 565305511 /nfs/dbraw/zinc/30/55/11/565305511.db2.gz AHSIDKCVQNBMHV-KRWDZBQOSA-N 2 0 382.346 3.221 20 0 GGADRP C[C@H](C[NH+](C)CCOCC[N@@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273090921 565307202 /nfs/dbraw/zinc/30/72/02/565307202.db2.gz SOTKZVPYJRYUNS-IYBDPMFKSA-N 2 0 382.599 3.387 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162920472 565331056 /nfs/dbraw/zinc/33/10/56/565331056.db2.gz IPCZSDGLRKQNCZ-OAHLLOKOSA-N 2 0 377.330 3.420 20 0 GGADRP Brc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000164730019 565362444 /nfs/dbraw/zinc/36/24/44/565362444.db2.gz CKZREXQWPNZYHU-GOSISDBHSA-N 2 0 378.358 3.492 20 0 GGADRP COCCC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000297355362 565369174 /nfs/dbraw/zinc/36/91/74/565369174.db2.gz PJGLJSKXTDDSAO-OALUTQOASA-N 2 0 399.373 3.353 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315364 565369550 /nfs/dbraw/zinc/36/95/50/565369550.db2.gz QKOAQPCUPAATDB-AEFFLSMTSA-N 2 0 391.357 3.188 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000166041315 565373289 /nfs/dbraw/zinc/37/32/89/565373289.db2.gz GSBIURHWXRYEBF-XJKSGUPXSA-N 2 0 390.309 3.299 20 0 GGADRP Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333747 565374992 /nfs/dbraw/zinc/37/49/92/565374992.db2.gz NZPTXHHXXSSNBG-SZVBFZGTSA-N 2 0 378.358 3.492 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188210507 565388602 /nfs/dbraw/zinc/38/86/02/565388602.db2.gz CSTARUIJFAJDCQ-WBVHZDCISA-N 2 0 381.358 3.471 20 0 GGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000188725607 565419452 /nfs/dbraw/zinc/41/94/52/565419452.db2.gz NGXTTZMNDRVAHG-UHFFFAOYSA-N 2 0 396.373 3.107 20 0 GGADRP Cc1csc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000276629410 565455723 /nfs/dbraw/zinc/45/57/23/565455723.db2.gz POYGBWZIUWMJCQ-UHFFFAOYSA-N 2 0 378.929 3.047 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000276659547 565456840 /nfs/dbraw/zinc/45/68/40/565456840.db2.gz PORNRLCAJWCLNE-ZMYBRWDISA-N 2 0 381.358 3.348 20 0 GGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000302341917 565540119 /nfs/dbraw/zinc/54/01/19/565540119.db2.gz AETXZDZQDFBJMW-LBPRGKRZSA-N 2 0 378.314 3.117 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000190778170 565558506 /nfs/dbraw/zinc/55/85/06/565558506.db2.gz XXOPLUOOBUCAOE-UHFFFAOYSA-N 2 0 392.341 3.469 20 0 GGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000173790732 565586539 /nfs/dbraw/zinc/58/65/39/565586539.db2.gz KROUWKYVUGZSPK-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP COc1cc(Cl)c(Cl)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000191288268 565594247 /nfs/dbraw/zinc/59/42/47/565594247.db2.gz VRCZOYAVCRZWJM-UHFFFAOYSA-N 2 0 389.327 3.150 20 0 GGADRP Cc1nn(C)c(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000279134571 565597011 /nfs/dbraw/zinc/59/70/11/565597011.db2.gz NEUSOQVDXOCWFU-KRWDZBQOSA-N 2 0 391.357 3.145 20 0 GGADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318852664 565597466 /nfs/dbraw/zinc/59/74/66/565597466.db2.gz NXHADQMCSDPYOI-UHFFFAOYSA-N 2 0 385.224 3.016 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cc1 ZINC000173928469 565599492 /nfs/dbraw/zinc/59/94/92/565599492.db2.gz NEGKMPDJDUMAEA-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000191487919 565607987 /nfs/dbraw/zinc/60/79/87/565607987.db2.gz PREBIYQJDDBLTJ-UHFFFAOYSA-N 2 0 382.390 3.340 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@H](C)O1 ZINC000174316456 565630003 /nfs/dbraw/zinc/63/00/03/565630003.db2.gz YTNCJIRCXLYLMV-GASCZTMLSA-N 2 0 395.345 3.076 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192167495 565664241 /nfs/dbraw/zinc/66/42/41/565664241.db2.gz JSLAYYNKOCJWNC-CQSZACIVSA-N 2 0 375.738 3.429 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000192165657 565664831 /nfs/dbraw/zinc/66/48/31/565664831.db2.gz LAWNINGKNJFBPX-KRWDZBQOSA-N 2 0 388.781 3.464 20 0 GGADRP C[C@@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000192184614 565666608 /nfs/dbraw/zinc/66/66/08/565666608.db2.gz LPIDWUAQXNQEAB-MRXNPFEDSA-N 2 0 379.595 3.001 20 0 GGADRP C[C@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000192184621 565667127 /nfs/dbraw/zinc/66/71/27/565667127.db2.gz LPIDWUAQXNQEAB-INIZCTEOSA-N 2 0 379.595 3.001 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935001 565720102 /nfs/dbraw/zinc/72/01/02/565720102.db2.gz KBJPNXHBDKMMQL-WBVHZDCISA-N 2 0 377.330 3.146 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000411462212 565731702 /nfs/dbraw/zinc/73/17/02/565731702.db2.gz XVSUWHLAJGSSFO-AWEZNQCLSA-N 2 0 382.346 3.089 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981471 565786958 /nfs/dbraw/zinc/78/69/58/565786958.db2.gz AYBHACCBYOMINP-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193972724 565787492 /nfs/dbraw/zinc/78/74/92/565787492.db2.gz HSRCRZLAVATXGV-LSJNQWAISA-N 2 0 380.374 3.311 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000176704334 565796431 /nfs/dbraw/zinc/79/64/31/565796431.db2.gz DBXULCIQCYFVJN-MRXNPFEDSA-N 2 0 380.583 3.186 20 0 GGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccc(Br)cc3o2)CC1 ZINC000332335769 565830094 /nfs/dbraw/zinc/83/00/94/565830094.db2.gz QZGMIWQGTKSQLE-ZDUSSCGKSA-N 2 0 396.329 3.115 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc(Br)c3)no1)CC[NH2+]CC2 ZINC000333622800 565889736 /nfs/dbraw/zinc/88/97/36/565889736.db2.gz UPMNPXSSOQVKGL-CYBMUJFWSA-N 2 0 391.313 3.463 20 0 GGADRP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178108585 565898090 /nfs/dbraw/zinc/89/80/90/565898090.db2.gz CNWANNNMAIMCFY-SFHVURJKSA-N 2 0 396.373 3.290 20 0 GGADRP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178108602 565898234 /nfs/dbraw/zinc/89/82/34/565898234.db2.gz CNWANNNMAIMCFY-GOSISDBHSA-N 2 0 396.373 3.290 20 0 GGADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@H]2CCC[C@H]21 ZINC000414173022 565900271 /nfs/dbraw/zinc/90/02/71/565900271.db2.gz FJOZKAPZEYKVTJ-DQEVTTJGSA-N 2 0 399.348 3.202 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000414199125 565903095 /nfs/dbraw/zinc/90/30/95/565903095.db2.gz QPDUZGHDAFJYIC-OAHLLOKOSA-N 2 0 386.367 3.441 20 0 GGADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192570 565903273 /nfs/dbraw/zinc/90/32/73/565903273.db2.gz SLGRMIQANZERQR-RHSMWYFYSA-N 2 0 387.977 3.021 20 0 GGADRP CS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414305118 565909667 /nfs/dbraw/zinc/90/96/67/565909667.db2.gz NFMVUBXHFBRRGW-UHFFFAOYSA-N 2 0 378.563 3.153 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000285560805 565914494 /nfs/dbraw/zinc/91/44/94/565914494.db2.gz NATYPDWXMXLQDX-LJQANCHMSA-N 2 0 388.383 3.423 20 0 GGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3sccc3Cl)cc2)CC1 ZINC000414549416 565948113 /nfs/dbraw/zinc/94/81/13/565948113.db2.gz AGYIOWXXNBQWIL-UHFFFAOYSA-N 2 0 377.941 3.389 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178971576 565950167 /nfs/dbraw/zinc/95/01/67/565950167.db2.gz AAJGSTXVHVVXKC-UHFFFAOYSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414753974 565958626 /nfs/dbraw/zinc/95/86/26/565958626.db2.gz XCDVQPJRYYURGS-GJZGRUSLSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000237443497 565959972 /nfs/dbraw/zinc/95/99/72/565959972.db2.gz SETJHUOHZALQOM-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414884573 565963353 /nfs/dbraw/zinc/96/33/53/565963353.db2.gz NTSCSPTVUFFWMH-SECBINFHSA-N 2 0 380.124 3.295 20 0 GGADRP Brc1cnc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414843569 565964254 /nfs/dbraw/zinc/96/42/54/565964254.db2.gz QFFBUTPNDAJIFU-JTQLQIEISA-N 2 0 377.124 3.086 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414928528 565964831 /nfs/dbraw/zinc/96/48/31/565964831.db2.gz QDNLKGPAJLKOIL-RDJZCZTQSA-N 2 0 394.357 3.222 20 0 GGADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929734 565965159 /nfs/dbraw/zinc/96/51/59/565965159.db2.gz RZBCDJDSNPILPQ-CABCVRRESA-N 2 0 399.329 3.059 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414928530 565965231 /nfs/dbraw/zinc/96/52/31/565965231.db2.gz QDNLKGPAJLKOIL-WBVHZDCISA-N 2 0 394.357 3.222 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237604647 565965507 /nfs/dbraw/zinc/96/55/07/565965507.db2.gz SETJHUOHZALQOM-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP CC1(C[NH2+]Cc2ncc(Br)cc2Br)CC[NH2+]CC1 ZINC000414896406 565965877 /nfs/dbraw/zinc/96/58/77/565965877.db2.gz BMKXFGUWORIZOW-UHFFFAOYSA-N 2 0 377.124 3.086 20 0 GGADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414974651 565967020 /nfs/dbraw/zinc/96/70/20/565967020.db2.gz NUBJAEOHNQWOJJ-CYBMUJFWSA-N 2 0 389.771 3.285 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414990663 565968607 /nfs/dbraw/zinc/96/86/07/565968607.db2.gz AJVBLNFCFXEKRK-NXEZZACHSA-N 2 0 380.220 3.177 20 0 GGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2ccc(Br)cn2)cc1 ZINC000415006740 565969139 /nfs/dbraw/zinc/96/91/39/565969139.db2.gz QUUFPLUUHBJWKM-KDOFPFPSSA-N 2 0 378.289 3.466 20 0 GGADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415042927 565970831 /nfs/dbraw/zinc/97/08/31/565970831.db2.gz RMSFSRXOZVHROA-KOLCDFICSA-N 2 0 379.245 3.276 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415029020 565971051 /nfs/dbraw/zinc/97/10/51/565971051.db2.gz ZUMQHUSANDCQRE-SECBINFHSA-N 2 0 380.124 3.437 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415050293 565971670 /nfs/dbraw/zinc/97/16/70/565971670.db2.gz YKABSSOZYFDVNX-RHSMWYFYSA-N 2 0 394.357 3.079 20 0 GGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086677 565973167 /nfs/dbraw/zinc/97/31/67/565973167.db2.gz SLUGWYBGACTMAT-AUUYWEPGSA-N 2 0 394.357 3.077 20 0 GGADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415117315 565974965 /nfs/dbraw/zinc/97/49/65/565974965.db2.gz CFEUHQAIQFMMDT-RDJZCZTQSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031726 565975399 /nfs/dbraw/zinc/97/53/99/565975399.db2.gz DOXRHNXGPDAQMP-LSDHHAIUSA-N 2 0 396.373 3.277 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415128145 565975957 /nfs/dbraw/zinc/97/59/57/565975957.db2.gz RTLQMWTZVQPPJJ-CRAIPNDOSA-N 2 0 383.330 3.176 20 0 GGADRP COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130995 565975994 /nfs/dbraw/zinc/97/59/94/565975994.db2.gz RQJQDVUWNYUKOW-PWSUYJOCSA-N 2 0 393.272 3.476 20 0 GGADRP CCOCCOc1ccc(Br)cc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415135430 565976061 /nfs/dbraw/zinc/97/60/61/565976061.db2.gz WRKZMYAYBDOQHM-GOEBONIOSA-N 2 0 385.346 3.281 20 0 GGADRP C[NH2+]CCCN(C)Cc1cc(Br)cc(Br)c1OC ZINC000415140873 565976358 /nfs/dbraw/zinc/97/63/58/565976358.db2.gz ZPQPUDXEFYUJKZ-UHFFFAOYSA-N 2 0 380.124 3.262 20 0 GGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000415137143 565976458 /nfs/dbraw/zinc/97/64/58/565976458.db2.gz FCAVRYYZJTUHTF-UHFFFAOYSA-N 2 0 381.339 3.463 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ncc(Br)s1 ZINC000245672860 566000389 /nfs/dbraw/zinc/00/03/89/566000389.db2.gz PVGKURLTABXYTQ-JHJVBQTASA-N 2 0 376.364 3.446 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000246214098 566021295 /nfs/dbraw/zinc/02/12/95/566021295.db2.gz YJSAWYBLXFSVOS-GJZGRUSLSA-N 2 0 382.346 3.358 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254374 566024302 /nfs/dbraw/zinc/02/43/02/566024302.db2.gz XDBIEWWZALXNRJ-CABCVRRESA-N 2 0 380.330 3.194 20 0 GGADRP Cc1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)sc1C ZINC000180156523 566039028 /nfs/dbraw/zinc/03/90/28/566039028.db2.gz GYKFTNPLNLTCAD-UHFFFAOYSA-N 2 0 378.973 3.497 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246877634 566043963 /nfs/dbraw/zinc/04/39/63/566043963.db2.gz DGELEYPZDBHLCI-VKJFTORMSA-N 2 0 377.330 3.287 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(Br)c3)CC[C@H]21 ZINC000247979737 566069675 /nfs/dbraw/zinc/06/96/75/566069675.db2.gz MESOBNYSSFOSNI-RHSMWYFYSA-N 2 0 380.330 3.194 20 0 GGADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261633180 566126825 /nfs/dbraw/zinc/12/68/25/566126825.db2.gz BXFKXIZNUOTMCN-PKOBYXMFSA-N 2 0 394.357 3.100 20 0 GGADRP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000261721081 566130801 /nfs/dbraw/zinc/13/08/01/566130801.db2.gz KDRDZEHMIVZIAZ-LBTNJELSSA-N 2 0 382.346 3.002 20 0 GGADRP CC[NH+](CC)CC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261833257 566136348 /nfs/dbraw/zinc/13/63/48/566136348.db2.gz UITREKABHRIWBG-IBGZPJMESA-N 2 0 396.373 3.203 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000289823240 566141520 /nfs/dbraw/zinc/14/15/20/566141520.db2.gz JIMUACURJKZFRF-UHFFFAOYSA-N 2 0 394.279 3.195 20 0 GGADRP C[NH+](C)C1(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000261992937 566142954 /nfs/dbraw/zinc/14/29/54/566142954.db2.gz RUBXUWNFZAQPSZ-KRWDZBQOSA-N 2 0 382.346 3.004 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366262007 566144450 /nfs/dbraw/zinc/14/44/50/566144450.db2.gz XCOGLMAVDNBIRR-XYPHTWIQSA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181500016 566144499 /nfs/dbraw/zinc/14/44/99/566144499.db2.gz OYPGZGATMFFQDG-GJZGRUSLSA-N 2 0 384.362 3.134 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262130269 566147282 /nfs/dbraw/zinc/14/72/82/566147282.db2.gz YASHZNHNEOMMMM-SFHVURJKSA-N 2 0 375.314 3.129 20 0 GGADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262127272 566147321 /nfs/dbraw/zinc/14/73/21/566147321.db2.gz LTGGEXUYBCZDTF-ULQDDVLXSA-N 2 0 387.952 3.200 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262130267 566147388 /nfs/dbraw/zinc/14/73/88/566147388.db2.gz YASHZNHNEOMMMM-GOSISDBHSA-N 2 0 375.314 3.129 20 0 GGADRP [NH3+]C1(CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000417569247 566159778 /nfs/dbraw/zinc/15/97/78/566159778.db2.gz LLAGLIPUKHXGPN-UHFFFAOYSA-N 2 0 385.339 3.138 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000181856578 566169624 /nfs/dbraw/zinc/16/96/24/566169624.db2.gz XBWICVNLPYCQDV-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417833814 566177064 /nfs/dbraw/zinc/17/70/64/566177064.db2.gz MIDVYJIYZDZHDT-IEBWSBKVSA-N 2 0 390.325 3.002 20 0 GGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417833820 566177375 /nfs/dbraw/zinc/17/73/75/566177375.db2.gz MIDVYJIYZDZHDT-PKOBYXMFSA-N 2 0 390.325 3.002 20 0 GGADRP COc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000290628187 566181486 /nfs/dbraw/zinc/18/14/86/566181486.db2.gz IWBLDFRSQGDSRI-KRWDZBQOSA-N 2 0 385.346 3.201 20 0 GGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186118 566202807 /nfs/dbraw/zinc/20/28/07/566202807.db2.gz RNYMVCJLOFQEMX-GJZGRUSLSA-N 2 0 376.879 3.005 20 0 GGADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH3+])[NH+](C)C ZINC000418290926 566208014 /nfs/dbraw/zinc/20/80/14/566208014.db2.gz ABTWJAZRFVULTJ-INIZCTEOSA-N 2 0 375.344 3.050 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418373874 566211384 /nfs/dbraw/zinc/21/13/84/566211384.db2.gz GKPUPELQHYIIJC-HNNXBMFYSA-N 2 0 387.355 3.209 20 0 GGADRP C[C@H](C[NH3+])CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418490533 566214275 /nfs/dbraw/zinc/21/42/75/566214275.db2.gz NBJHGUSUUQWYPR-CYBMUJFWSA-N 2 0 375.344 3.052 20 0 GGADRP C[N@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050817 566229022 /nfs/dbraw/zinc/22/90/22/566229022.db2.gz IDXUMOOLWGITBK-INIZCTEOSA-N 2 0 376.595 3.472 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)CC1 ZINC000265898737 566243535 /nfs/dbraw/zinc/24/35/35/566243535.db2.gz UJICVTJKRDMQRW-UHFFFAOYSA-N 2 0 383.970 3.494 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534794234 566254584 /nfs/dbraw/zinc/25/45/84/566254584.db2.gz YDYJPNBXPWYYBI-PXAZEXFGSA-N 2 0 386.765 3.315 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534794236 566254744 /nfs/dbraw/zinc/25/47/44/566254744.db2.gz YDYJPNBXPWYYBI-SJKOYZFVSA-N 2 0 386.765 3.315 20 0 GGADRP CC1(C)CC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000555889281 566259157 /nfs/dbraw/zinc/25/91/57/566259157.db2.gz ONZJWRZIYBSICL-HNNXBMFYSA-N 2 0 385.346 3.088 20 0 GGADRP CC1(C)CC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000555889172 566259174 /nfs/dbraw/zinc/25/91/74/566259174.db2.gz KJNDPNRIJJRKNE-HNNXBMFYSA-N 2 0 385.346 3.088 20 0 GGADRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000555889282 566259240 /nfs/dbraw/zinc/25/92/40/566259240.db2.gz ONZJWRZIYBSICL-OAHLLOKOSA-N 2 0 385.346 3.088 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000575234213 566263567 /nfs/dbraw/zinc/26/35/67/566263567.db2.gz GEPXKFPTMWNJDR-GOSISDBHSA-N 2 0 394.401 3.314 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000575234214 566263821 /nfs/dbraw/zinc/26/38/21/566263821.db2.gz GEPXKFPTMWNJDR-SFHVURJKSA-N 2 0 394.401 3.314 20 0 GGADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000420297085 566272261 /nfs/dbraw/zinc/27/22/61/566272261.db2.gz FIZOWTJCLNSMDM-OAHLLOKOSA-N 2 0 393.329 3.034 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(Br)c1 ZINC000420340584 566273876 /nfs/dbraw/zinc/27/38/76/566273876.db2.gz SVOIILLLZHNKJT-QGZVFWFLSA-N 2 0 380.330 3.242 20 0 GGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420371794 566273932 /nfs/dbraw/zinc/27/39/32/566273932.db2.gz DOCAJOJHSJHNTA-AEFFLSMTSA-N 2 0 383.330 3.046 20 0 GGADRP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc(Br)c1 ZINC000420342641 566274096 /nfs/dbraw/zinc/27/40/96/566274096.db2.gz XLUOYWBADMLKSX-MSOLQXFVSA-N 2 0 392.341 3.018 20 0 GGADRP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc(Br)c1 ZINC000420342644 566274171 /nfs/dbraw/zinc/27/41/71/566274171.db2.gz XLUOYWBADMLKSX-ZWKOTPCHSA-N 2 0 392.341 3.018 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420330121 566274232 /nfs/dbraw/zinc/27/42/32/566274232.db2.gz ABYOXPZBEFINNH-DYVFJYSZSA-N 2 0 380.330 3.240 20 0 GGADRP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc(Br)c1 ZINC000420342642 566274407 /nfs/dbraw/zinc/27/44/07/566274407.db2.gz XLUOYWBADMLKSX-QZTJIDSGSA-N 2 0 392.341 3.018 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420307991 566274496 /nfs/dbraw/zinc/27/44/96/566274496.db2.gz RUOYJYUBTCMFAE-HNNXBMFYSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1Br ZINC000420341328 566274633 /nfs/dbraw/zinc/27/46/33/566274633.db2.gz UVSRNSMPCFVUBD-INIZCTEOSA-N 2 0 380.330 3.242 20 0 GGADRP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387713 566275341 /nfs/dbraw/zinc/27/53/41/566275341.db2.gz WFUVLPSVSPPDHJ-IAGOWNOFSA-N 2 0 378.318 3.288 20 0 GGADRP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387709 566275790 /nfs/dbraw/zinc/27/57/90/566275790.db2.gz WFUVLPSVSPPDHJ-DLBZAZTESA-N 2 0 378.318 3.288 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625101121 566276448 /nfs/dbraw/zinc/27/64/48/566276448.db2.gz FYFBAUVIZMRCQE-SFHVURJKSA-N 2 0 394.357 3.366 20 0 GGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389550 566276586 /nfs/dbraw/zinc/27/65/86/566276586.db2.gz MESFWYKECGQMIH-WMZOPIPTSA-N 2 0 383.330 3.046 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000482026049 566277030 /nfs/dbraw/zinc/27/70/30/566277030.db2.gz MGOPTMUJPIBWHX-CRAIPNDOSA-N 2 0 381.358 3.427 20 0 GGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000420382687 566277138 /nfs/dbraw/zinc/27/71/38/566277138.db2.gz DZDKYHUETMEMKD-QAPCUYQASA-N 2 0 383.330 3.046 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221494 566291385 /nfs/dbraw/zinc/29/13/85/566291385.db2.gz AYIXLZJVFAAOGN-ZTFGCOKTSA-N 2 0 392.341 3.119 20 0 GGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1cccc(Br)c1 ZINC000576030121 566308943 /nfs/dbraw/zinc/30/89/43/566308943.db2.gz ODBXBUOBWAGSDO-GOSISDBHSA-N 2 0 397.357 3.185 20 0 GGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539751 566315765 /nfs/dbraw/zinc/31/57/65/566315765.db2.gz SLBSYBXPBFOSSE-RDJZCZTQSA-N 2 0 383.989 3.388 20 0 GGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633908 566323564 /nfs/dbraw/zinc/32/35/64/566323564.db2.gz XYUCZLNBEXWGKL-CABCVRRESA-N 2 0 386.323 3.137 20 0 GGADRP CN(CCC[N@H+](C)Cc1cc(Br)cc2cccnc21)CC[NH+](C)C ZINC000576261386 566329983 /nfs/dbraw/zinc/32/99/83/566329983.db2.gz NBRVTDWWQCFYQY-UHFFFAOYSA-N 2 0 393.373 3.313 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000576498971 566351244 /nfs/dbraw/zinc/35/12/44/566351244.db2.gz VBBHLYSVYKPBKU-KBRIMQKVSA-N 2 0 380.330 3.383 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000536180542 566356974 /nfs/dbraw/zinc/35/69/74/566356974.db2.gz ZOSAHQROCKLOFA-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000576856856 566384750 /nfs/dbraw/zinc/38/47/50/566384750.db2.gz OFKTYZFPGDJYSV-WMLDXEAASA-N 2 0 387.337 3.202 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000576856854 566385285 /nfs/dbraw/zinc/38/52/85/566385285.db2.gz OFKTYZFPGDJYSV-RHSMWYFYSA-N 2 0 387.337 3.202 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000576943721 566392761 /nfs/dbraw/zinc/39/27/61/566392761.db2.gz IBIQQJWHQLOWMH-HOTGVXAUSA-N 2 0 395.341 3.432 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000576943719 566393404 /nfs/dbraw/zinc/39/34/04/566393404.db2.gz IBIQQJWHQLOWMH-CVEARBPZSA-N 2 0 395.341 3.432 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000576943723 566393491 /nfs/dbraw/zinc/39/34/91/566393491.db2.gz IBIQQJWHQLOWMH-HZPDHXFCSA-N 2 0 395.341 3.432 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1C ZINC000463619507 566422402 /nfs/dbraw/zinc/42/24/02/566422402.db2.gz RGOUCYMKKRYTEA-MRXNPFEDSA-N 2 0 396.373 3.246 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000537117222 566422841 /nfs/dbraw/zinc/42/28/41/566422841.db2.gz WQSKFHLQLGKQBW-HBUWYVDXSA-N 2 0 398.414 3.458 20 0 GGADRP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000484389752 566428065 /nfs/dbraw/zinc/42/80/65/566428065.db2.gz QHFXONSQBXXRBG-DNVCBOLYSA-N 2 0 380.374 3.343 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422760472 566462266 /nfs/dbraw/zinc/46/22/66/566462266.db2.gz LVXBOMIDWJJYIZ-LSDHHAIUSA-N 2 0 397.357 3.291 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000422790800 566463368 /nfs/dbraw/zinc/46/33/68/566463368.db2.gz YAJFWBVSPIEOSY-KGLIPLIRSA-N 2 0 383.330 3.421 20 0 GGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422751611 566463381 /nfs/dbraw/zinc/46/33/81/566463381.db2.gz BSUAEFOEEUKGAS-CGTJXYLNSA-N 2 0 385.321 3.268 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895426 566464447 /nfs/dbraw/zinc/46/44/47/566464447.db2.gz VYYZYIXCBBKROJ-HNAYVOBHSA-N 2 0 380.374 3.391 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000422930554 566465088 /nfs/dbraw/zinc/46/50/88/566465088.db2.gz UZBLVVZCFIKNAH-CABCVRRESA-N 2 0 397.357 3.291 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876897 566465315 /nfs/dbraw/zinc/46/53/15/566465315.db2.gz GQCXBGUIADJUOA-KZNAEPCWSA-N 2 0 394.357 3.079 20 0 GGADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945593 566466400 /nfs/dbraw/zinc/46/64/00/566466400.db2.gz VBSRSQYLHZXQIS-XYVMCAHJSA-N 2 0 397.357 3.089 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000422938968 566466547 /nfs/dbraw/zinc/46/65/47/566466547.db2.gz FHSASBQEOMDNCM-VNQPRFMTSA-N 2 0 383.330 3.477 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000422948326 566467364 /nfs/dbraw/zinc/46/73/64/566467364.db2.gz RSIZSPMHPPVFQX-CQSZACIVSA-N 2 0 395.341 3.349 20 0 GGADRP [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989143 566469261 /nfs/dbraw/zinc/46/92/61/566469261.db2.gz KMESZRBPHFHEBF-IAGOWNOFSA-N 2 0 382.346 3.035 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537766350 566469691 /nfs/dbraw/zinc/46/96/91/566469691.db2.gz BXSVZBZJWHSIKJ-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423057418 566470955 /nfs/dbraw/zinc/47/09/55/566470955.db2.gz ZQJFCPWUPGFFID-PBHICJAKSA-N 2 0 382.346 3.360 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000423040270 566471332 /nfs/dbraw/zinc/47/13/32/566471332.db2.gz SWPOLSVGSGEATM-RCCFBDPRSA-N 2 0 391.357 3.458 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000423054645 566471371 /nfs/dbraw/zinc/47/13/71/566471371.db2.gz BXZCRBMWTHOWKY-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650708054 566471594 /nfs/dbraw/zinc/47/15/94/566471594.db2.gz SQIKEQYGMKDVHV-YWPYICTPSA-N 2 0 389.359 3.238 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043310 566471727 /nfs/dbraw/zinc/47/17/27/566471727.db2.gz OHBSZIHGIDOXTE-LLBUTXAOSA-N 2 0 384.351 3.319 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000650708109 566471641 /nfs/dbraw/zinc/47/16/41/566471641.db2.gz TUGJNAXJLJXDLK-ZTFGCOKTSA-N 2 0 395.341 3.102 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000650708107 566471798 /nfs/dbraw/zinc/47/17/98/566471798.db2.gz TUGJNAXJLJXDLK-OLMNPRSZSA-N 2 0 395.341 3.102 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000650708106 566472031 /nfs/dbraw/zinc/47/20/31/566472031.db2.gz TUGJNAXJLJXDLK-BMGDILEWSA-N 2 0 395.341 3.102 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074141 566472746 /nfs/dbraw/zinc/47/27/46/566472746.db2.gz UBWYXTREKLSCAS-UOVPBQLFSA-N 2 0 384.351 3.319 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000423069513 566472816 /nfs/dbraw/zinc/47/28/16/566472816.db2.gz LSKDHOKMDMIAMT-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073503 566472902 /nfs/dbraw/zinc/47/29/02/566472902.db2.gz IUJAJMQOEXOKEJ-JCHJZTRSSA-N 2 0 381.358 3.110 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423070329 566473023 /nfs/dbraw/zinc/47/30/23/566473023.db2.gz COVVBDLQPLPYSL-VPWXQRGCSA-N 2 0 391.353 3.148 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078001 566473103 /nfs/dbraw/zinc/47/31/03/566473103.db2.gz VACMXOMCCKWPMY-XJKSGUPXSA-N 2 0 392.341 3.113 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077999 566473593 /nfs/dbraw/zinc/47/35/93/566473593.db2.gz VACMXOMCCKWPMY-CJNGLKHVSA-N 2 0 392.341 3.113 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c2ccccc21 ZINC000423079704 566473606 /nfs/dbraw/zinc/47/36/06/566473606.db2.gz YRBTWAHQKGTAFZ-GDIGMMSISA-N 2 0 375.310 3.335 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078959 566473805 /nfs/dbraw/zinc/47/38/05/566473805.db2.gz WXVVFOLJOHLVOZ-CVAIRZPRSA-N 2 0 391.353 3.148 20 0 GGADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000577895557 566474752 /nfs/dbraw/zinc/47/47/52/566474752.db2.gz NPIIUXOGGWNFED-QGZVFWFLSA-N 2 0 380.330 3.476 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1=O ZINC000423102991 566475278 /nfs/dbraw/zinc/47/52/78/566475278.db2.gz FUWGYVYIICZXBS-LZWOXQAQSA-N 2 0 382.346 3.277 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1=O ZINC000423102990 566475476 /nfs/dbraw/zinc/47/54/76/566475476.db2.gz FUWGYVYIICZXBS-FMKPAKJESA-N 2 0 382.346 3.277 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000423130205 566476581 /nfs/dbraw/zinc/47/65/81/566476581.db2.gz MVTLZLMXGQZWIC-GRDNDAEWSA-N 2 0 385.346 3.249 20 0 GGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000423130209 566477084 /nfs/dbraw/zinc/47/70/84/566477084.db2.gz MVTLZLMXGQZWIC-KEYYUXOJSA-N 2 0 385.346 3.249 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1=O ZINC000423113273 566477165 /nfs/dbraw/zinc/47/71/65/566477165.db2.gz TUMUGVPPNANNCA-GOEBONIOSA-N 2 0 382.346 3.278 20 0 GGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145082 566478479 /nfs/dbraw/zinc/47/84/79/566478479.db2.gz IZWZSXSAUBLVJL-IPMKNSEASA-N 2 0 384.973 3.404 20 0 GGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145080 566478756 /nfs/dbraw/zinc/47/87/56/566478756.db2.gz IZWZSXSAUBLVJL-GBESFXJTSA-N 2 0 384.973 3.404 20 0 GGADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423142655 566478868 /nfs/dbraw/zinc/47/88/68/566478868.db2.gz AZBRTDAVAPVEQR-DJIMGWMZSA-N 2 0 387.749 3.392 20 0 GGADRP Brc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423144331 566478969 /nfs/dbraw/zinc/47/89/69/566478969.db2.gz YQPZQAOLEVMNHF-XFUTXVRSSA-N 2 0 379.342 3.442 20 0 GGADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145361 566478980 /nfs/dbraw/zinc/47/89/80/566478980.db2.gz KKEZOWJEIVCFPX-DNVCBOLYSA-N 2 0 380.941 3.052 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164833 566480380 /nfs/dbraw/zinc/48/03/80/566480380.db2.gz SYEWOQJUQLZYEZ-OSGQAZFXSA-N 2 0 399.348 3.250 20 0 GGADRP Brc1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423179642 566480441 /nfs/dbraw/zinc/48/04/41/566480441.db2.gz HTMRWFHIOWNEGH-HXUWFJFHSA-N 2 0 388.353 3.423 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164835 566480669 /nfs/dbraw/zinc/48/06/69/566480669.db2.gz SYEWOQJUQLZYEZ-QGWWYQLQSA-N 2 0 399.348 3.250 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165706 566480981 /nfs/dbraw/zinc/48/09/81/566480981.db2.gz URIDPXQEZCOEHO-PTKHLAPESA-N 2 0 399.348 3.250 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]C/C=C/c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423161496 566481003 /nfs/dbraw/zinc/48/10/03/566481003.db2.gz SARPCOVBFFLLII-RGDDUWESSA-N 2 0 395.341 3.373 20 0 GGADRP Fc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423189758 566481584 /nfs/dbraw/zinc/48/15/84/566481584.db2.gz RLSHHNULBNXYJN-SFHVURJKSA-N 2 0 396.304 3.156 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000423206373 566481804 /nfs/dbraw/zinc/48/18/04/566481804.db2.gz BWQUWMQAINTVBE-VCANKDNSSA-N 2 0 378.318 3.259 20 0 GGADRP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423189757 566482371 /nfs/dbraw/zinc/48/23/71/566482371.db2.gz RLSHHNULBNXYJN-GOSISDBHSA-N 2 0 396.304 3.156 20 0 GGADRP [NH3+]C1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000423213925 566482662 /nfs/dbraw/zinc/48/26/62/566482662.db2.gz KQDHPMVHOWLDEU-PIMMBPRGSA-N 2 0 386.277 3.364 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423209521 566482896 /nfs/dbraw/zinc/48/28/96/566482896.db2.gz VAOYCALOYKYRAY-CYBMUJFWSA-N 2 0 382.339 3.043 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261948 566483755 /nfs/dbraw/zinc/48/37/55/566483755.db2.gz UBVNJXNQFZDOGW-DZGCQCFKSA-N 2 0 392.345 3.379 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261949 566484773 /nfs/dbraw/zinc/48/47/73/566484773.db2.gz UBVNJXNQFZDOGW-HIFRSBDPSA-N 2 0 392.345 3.379 20 0 GGADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423340430 566485853 /nfs/dbraw/zinc/48/58/53/566485853.db2.gz LWXOKIQCUKFFFA-IAQYHMDHSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423340431 566485924 /nfs/dbraw/zinc/48/59/24/566485924.db2.gz LWXOKIQCUKFFFA-NHYWBVRUSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000423394279 566486033 /nfs/dbraw/zinc/48/60/33/566486033.db2.gz RXWMFSHXFSPXGX-YGRLFVJLSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000423394276 566486276 /nfs/dbraw/zinc/48/62/76/566486276.db2.gz RXWMFSHXFSPXGX-HZMBPMFUSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423324179 566486956 /nfs/dbraw/zinc/48/69/56/566486956.db2.gz IOXSTFGZVMBISQ-NSHDSACASA-N 2 0 376.257 3.471 20 0 GGADRP COCC1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423406728 566488430 /nfs/dbraw/zinc/48/84/30/566488430.db2.gz LDAWUVFYCZBJFA-INIZCTEOSA-N 2 0 383.330 3.269 20 0 GGADRP COCC1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC[NH2+]CC1 ZINC000423409444 566488513 /nfs/dbraw/zinc/48/85/13/566488513.db2.gz QCFXQNTXZNZURR-SFHVURJKSA-N 2 0 381.358 3.376 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423418399 566488604 /nfs/dbraw/zinc/48/86/04/566488604.db2.gz HNMKOKQTWZGZHJ-IJLUTSLNSA-N 2 0 394.368 3.057 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000423399687 566489044 /nfs/dbraw/zinc/48/90/44/566489044.db2.gz WNTVXYDMVWYCIS-IINYFYTJSA-N 2 0 398.242 3.075 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493023 566491100 /nfs/dbraw/zinc/49/11/00/566491100.db2.gz PFDBWRWICCZCEK-WHOFXGATSA-N 2 0 378.318 3.116 20 0 GGADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000423492496 566491181 /nfs/dbraw/zinc/49/11/81/566491181.db2.gz NHBSRZMHCPSMQI-KYOSRNDESA-N 2 0 386.277 3.222 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(I)c1 ZINC000423544782 566492633 /nfs/dbraw/zinc/49/26/33/566492633.db2.gz IXZMWDBBZJZSDQ-DOERSZECSA-N 2 0 388.268 3.469 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000578231457 566503778 /nfs/dbraw/zinc/50/37/78/566503778.db2.gz YWQJBDINWLVCEV-BLGPTSCISA-N 2 0 387.325 3.434 20 0 GGADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)sc1Br ZINC000512050876 566509152 /nfs/dbraw/zinc/50/91/52/566509152.db2.gz FGTAELLBTWPOTD-CHWSQXEVSA-N 2 0 388.375 3.057 20 0 GGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975879 566517856 /nfs/dbraw/zinc/51/78/56/566517856.db2.gz FMZXVUZYMVNULN-ROUUACIJSA-N 2 0 394.357 3.146 20 0 GGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000651460819 566522680 /nfs/dbraw/zinc/52/26/80/566522680.db2.gz FBGPPNDRUWUVOP-ZIAGYGMSSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000651460816 566523369 /nfs/dbraw/zinc/52/33/69/566523369.db2.gz FBGPPNDRUWUVOP-KBPBESRZSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000651466725 566524312 /nfs/dbraw/zinc/52/43/12/566524312.db2.gz JISKDJKKJKLMQV-UKRRQHHQSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424286056 566524454 /nfs/dbraw/zinc/52/44/54/566524454.db2.gz GVWREHYVYLXYCH-CQSZACIVSA-N 2 0 384.351 3.416 20 0 GGADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1OC ZINC000424285593 566524708 /nfs/dbraw/zinc/52/47/08/566524708.db2.gz FZTMJSDCQMFPQY-CYBMUJFWSA-N 2 0 383.330 3.430 20 0 GGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651466839 566525284 /nfs/dbraw/zinc/52/52/84/566525284.db2.gz YNDHEUJMRBYPFE-HZPDHXFCSA-N 2 0 383.374 3.228 20 0 GGADRP Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000485816728 566529488 /nfs/dbraw/zinc/52/94/88/566529488.db2.gz JSSRVRLLZBGYNZ-UHFFFAOYSA-N 2 0 379.346 3.500 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424379262 566530089 /nfs/dbraw/zinc/53/00/89/566530089.db2.gz OHOQURVYGXPEJZ-CYBMUJFWSA-N 2 0 383.330 3.430 20 0 GGADRP OCC[NH+]1CCC(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449123288 566530873 /nfs/dbraw/zinc/53/08/73/566530873.db2.gz NRNUNKZNZDLBIH-UHFFFAOYSA-N 2 0 385.321 3.128 20 0 GGADRP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000449133658 566531528 /nfs/dbraw/zinc/53/15/28/566531528.db2.gz ZJIUQTMYTYRRPG-HPUBIQBYSA-N 2 0 398.364 3.307 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559260176 566536602 /nfs/dbraw/zinc/53/66/02/566536602.db2.gz SSQZQECRHASZOP-QGZVFWFLSA-N 2 0 381.358 3.397 20 0 GGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449233889 566538501 /nfs/dbraw/zinc/53/85/01/566538501.db2.gz NVAOJQLHWXTSJH-IBGZPJMESA-N 2 0 393.300 3.445 20 0 GGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449233240 566538912 /nfs/dbraw/zinc/53/89/12/566538912.db2.gz KRUXUQYKVGTVMU-QGZVFWFLSA-N 2 0 393.300 3.445 20 0 GGADRP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000559273677 566538999 /nfs/dbraw/zinc/53/89/99/566538999.db2.gz XXGWIKGMVQRGEN-MAUKXSAKSA-N 2 0 393.369 3.397 20 0 GGADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449233239 566539639 /nfs/dbraw/zinc/53/96/39/566539639.db2.gz KRUXUQYKVGTVMU-KRWDZBQOSA-N 2 0 393.300 3.445 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449236536 566540396 /nfs/dbraw/zinc/54/03/96/566540396.db2.gz KFNAIQQYDKEYOV-UHFFFAOYSA-N 2 0 380.330 3.445 20 0 GGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311893 566540479 /nfs/dbraw/zinc/54/04/79/566540479.db2.gz PGKACPRCDLLXFJ-SFHVURJKSA-N 2 0 380.330 3.195 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449251021 566541003 /nfs/dbraw/zinc/54/10/03/566541003.db2.gz QDVSIBVKVJIDFX-HNNXBMFYSA-N 2 0 391.357 3.113 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311305 566540949 /nfs/dbraw/zinc/54/09/49/566540949.db2.gz KMKOFOQJISXLMD-GOSISDBHSA-N 2 0 380.330 3.195 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869989 566541868 /nfs/dbraw/zinc/54/18/68/566541868.db2.gz ZQFHMXWLCQGYBN-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869680 566542261 /nfs/dbraw/zinc/54/22/61/566542261.db2.gz JBODEGLPVCWSLW-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000673599679 566545535 /nfs/dbraw/zinc/54/55/35/566545535.db2.gz CKMBYRRPBSOSIK-AWEZNQCLSA-N 2 0 386.353 3.135 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000539306287 566571776 /nfs/dbraw/zinc/57/17/76/566571776.db2.gz QAQACDFIKWRGMF-KDOFPFPSSA-N 2 0 398.414 3.459 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000513071684 566577539 /nfs/dbraw/zinc/57/75/39/566577539.db2.gz XJWQSKLCAUZGFI-UHFFFAOYSA-N 2 0 396.373 3.422 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449603361 566582407 /nfs/dbraw/zinc/58/24/07/566582407.db2.gz VYSVVDMPOQOGAP-KRWDZBQOSA-N 2 0 383.374 3.373 20 0 GGADRP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449680686 566591115 /nfs/dbraw/zinc/59/11/15/566591115.db2.gz KJHPLCNTZVZQJC-HNNXBMFYSA-N 2 0 399.373 3.071 20 0 GGADRP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449680687 566591169 /nfs/dbraw/zinc/59/11/69/566591169.db2.gz KJHPLCNTZVZQJC-OAHLLOKOSA-N 2 0 399.373 3.071 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449683633 566591312 /nfs/dbraw/zinc/59/13/12/566591312.db2.gz PYAHFTCSBLDJLQ-HNNXBMFYSA-N 2 0 399.373 3.073 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449684990 566592511 /nfs/dbraw/zinc/59/25/11/566592511.db2.gz QSAIBONAXIDRFN-RYQLBKOJSA-N 2 0 381.358 3.125 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686227 566592836 /nfs/dbraw/zinc/59/28/36/566592836.db2.gz VUWNCXCQBGQBEH-MRXNPFEDSA-N 2 0 383.374 3.373 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)C1 ZINC000652348382 566602842 /nfs/dbraw/zinc/60/28/42/566602842.db2.gz BOBUJLOOVHQVHF-DXCKQFNASA-N 2 0 383.323 3.359 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000652346158 566603203 /nfs/dbraw/zinc/60/32/03/566603203.db2.gz UYOJLRQIGSEZRG-QEORTHHSSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345534 566603297 /nfs/dbraw/zinc/60/32/97/566603297.db2.gz DLGFVQKJOJZBLL-WOSRLPQWSA-N 2 0 386.323 3.150 20 0 GGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000652353995 566605705 /nfs/dbraw/zinc/60/57/05/566605705.db2.gz KARKIISMXPDGRG-WBMJQRKESA-N 2 0 386.309 3.366 20 0 GGADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(C)c1Br ZINC000579545854 566617613 /nfs/dbraw/zinc/61/76/13/566617613.db2.gz WTGGKMVNHUNCSE-UHFFFAOYSA-N 2 0 385.350 3.023 20 0 GGADRP C[NH+]1CCN(CC[N@@H+](Cc2ccc(Br)cc2F)CC2CC2)CC1 ZINC000580006058 566657238 /nfs/dbraw/zinc/65/72/38/566657238.db2.gz JVXDKMQQKKCJMW-UHFFFAOYSA-N 2 0 384.337 3.048 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000675742430 566662402 /nfs/dbraw/zinc/66/24/02/566662402.db2.gz PMOLAHVDTAFDLY-QGZVFWFLSA-N 2 0 384.337 3.191 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533133 566664747 /nfs/dbraw/zinc/66/47/47/566664747.db2.gz ITYGZQYMNVTZNB-VKJFTORMSA-N 2 0 392.341 3.024 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533132 566664849 /nfs/dbraw/zinc/66/48/49/566664849.db2.gz ITYGZQYMNVTZNB-RKVPGOIHSA-N 2 0 392.341 3.024 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000580121543 566666765 /nfs/dbraw/zinc/66/67/65/566666765.db2.gz QWWZFHYOKHCJQT-AWEZNQCLSA-N 2 0 389.371 3.136 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872771 566668367 /nfs/dbraw/zinc/66/83/67/566668367.db2.gz NYJLWPKWQZXJHO-VQIMIIECSA-N 2 0 378.358 3.195 20 0 GGADRP O[C@@H]1CCCC[C@H]1C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000580198019 566672841 /nfs/dbraw/zinc/67/28/41/566672841.db2.gz OBMMKGMXPJOJHH-GOEBONIOSA-N 2 0 382.302 3.292 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)c(F)c1 ZINC000676077489 566675377 /nfs/dbraw/zinc/67/53/77/566675377.db2.gz RLUDLIOYMLFDAN-UKRRQHHQSA-N 2 0 384.337 3.407 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000580245654 566676433 /nfs/dbraw/zinc/67/64/33/566676433.db2.gz YJQCLFBSDCZLQI-CQSZACIVSA-N 2 0 383.330 3.327 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000514932704 566679235 /nfs/dbraw/zinc/67/92/35/566679235.db2.gz KNKJBKNUZZYGIO-HOCLYGCPSA-N 2 0 375.340 3.301 20 0 GGADRP COc1c(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000580296604 566681608 /nfs/dbraw/zinc/68/16/08/566681608.db2.gz MQCJDBIKUICEOC-JTQLQIEISA-N 2 0 392.135 3.309 20 0 GGADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515002191 566684235 /nfs/dbraw/zinc/68/42/35/566684235.db2.gz DGWBTYGQUBNZIA-LLSQANQASA-N 2 0 384.351 3.161 20 0 GGADRP CSC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540986300 566685415 /nfs/dbraw/zinc/68/54/15/566685415.db2.gz DTSYUSWBNNEDSG-WMLDXEAASA-N 2 0 375.504 3.335 20 0 GGADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000468706282 566720981 /nfs/dbraw/zinc/72/09/81/566720981.db2.gz JCOOSVMHACRADF-HOTGVXAUSA-N 2 0 396.373 3.212 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000581053816 566746165 /nfs/dbraw/zinc/74/61/65/566746165.db2.gz NLUSKVMNASCYCN-GJZGRUSLSA-N 2 0 395.345 3.076 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000581251702 566762728 /nfs/dbraw/zinc/76/27/28/566762728.db2.gz GEADLVIKOWKJMT-FHLIZLRMSA-N 2 0 387.325 3.465 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000516567243 566768543 /nfs/dbraw/zinc/76/85/43/566768543.db2.gz VDLHVDLCAYRXDM-SPYBWZPUSA-N 2 0 396.373 3.107 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152327 566777951 /nfs/dbraw/zinc/77/79/51/566777951.db2.gz SCRIQRWHNMEXGE-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1Br ZINC000562368491 566785465 /nfs/dbraw/zinc/78/54/65/566785465.db2.gz DRBBHVPEUKKNCU-INIZCTEOSA-N 2 0 381.358 3.064 20 0 GGADRP O=C(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Br)c1 ZINC000581704794 566800904 /nfs/dbraw/zinc/80/09/04/566800904.db2.gz NGZKDRLRRTVTCP-UHFFFAOYSA-N 2 0 389.297 3.041 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000678599824 566808027 /nfs/dbraw/zinc/80/80/27/566808027.db2.gz GVSIKYFIWXSLFX-HNNXBMFYSA-N 2 0 396.373 3.106 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684628 566812443 /nfs/dbraw/zinc/81/24/43/566812443.db2.gz ASEWKZSQLPIPJZ-AUUYWEPGSA-N 2 0 378.358 3.195 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1I ZINC000542682636 566817076 /nfs/dbraw/zinc/81/70/76/566817076.db2.gz GSTBLRGBURJIRJ-CQSZACIVSA-N 2 0 390.309 3.300 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1I ZINC000542682635 566817107 /nfs/dbraw/zinc/81/71/07/566817107.db2.gz GSTBLRGBURJIRJ-AWEZNQCLSA-N 2 0 390.309 3.300 20 0 GGADRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000542692562 566818733 /nfs/dbraw/zinc/81/87/33/566818733.db2.gz YVVUJTWENOLXLZ-UHFFFAOYSA-N 2 0 380.330 3.242 20 0 GGADRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000582063534 566828702 /nfs/dbraw/zinc/82/87/02/566828702.db2.gz WHRNAXUTBZJBLM-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000470005731 566837085 /nfs/dbraw/zinc/83/70/85/566837085.db2.gz HOLTYHXHWQAKRM-UHFFFAOYSA-N 2 0 377.330 3.375 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655707916 566837843 /nfs/dbraw/zinc/83/78/43/566837843.db2.gz ANGQFGKGPWVUNX-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[C@@H](C[NH2+]Cc1oc2ccccc2c1Br)CN1CC[NH+](C)CC1 ZINC000655730225 566839961 /nfs/dbraw/zinc/83/99/61/566839961.db2.gz NJEIJLWUUVZJHW-AWEZNQCLSA-N 2 0 380.330 3.168 20 0 GGADRP Brc1ccc2c(c1)CCC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000562980659 566840790 /nfs/dbraw/zinc/84/07/90/566840790.db2.gz GKAYOEAHOIMTMJ-MRXNPFEDSA-N 2 0 390.329 3.201 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000562986957 566842099 /nfs/dbraw/zinc/84/20/99/566842099.db2.gz DYFBMXVKLLTGJY-AEFFLSMTSA-N 2 0 399.373 3.433 20 0 GGADRP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679218089 566842506 /nfs/dbraw/zinc/84/25/06/566842506.db2.gz JRVOWLUKUGZMOR-IBGZPJMESA-N 2 0 380.374 3.358 20 0 GGADRP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1cccc(Br)c1 ZINC000517732960 566844076 /nfs/dbraw/zinc/84/40/76/566844076.db2.gz PENKCOLJCXPQKM-UHFFFAOYSA-N 2 0 380.330 3.384 20 0 GGADRP C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000490397651 566847691 /nfs/dbraw/zinc/84/76/91/566847691.db2.gz IULWNEZUFTYRFG-OAHLLOKOSA-N 2 0 395.345 3.327 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079953 566850882 /nfs/dbraw/zinc/85/08/82/566850882.db2.gz QGANVWJYASZKQX-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563149460 566860721 /nfs/dbraw/zinc/86/07/21/566860721.db2.gz BCYMGUWIIPVOCY-INIZCTEOSA-N 2 0 384.351 3.273 20 0 GGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000582546330 566874335 /nfs/dbraw/zinc/87/43/35/566874335.db2.gz NMOIQFZENYFMGS-UHFFFAOYSA-N 2 0 377.282 3.359 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000679988582 566884412 /nfs/dbraw/zinc/88/44/12/566884412.db2.gz JZANKWBHMUJFQW-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP CSC1(C[NH2+][C@H](C)c2ncc(Br)cc2F)CC[NH+](C)CC1 ZINC000563526245 566891577 /nfs/dbraw/zinc/89/15/77/566891577.db2.gz PBOMPQBOTDYFLL-LLVKDONJSA-N 2 0 376.339 3.461 20 0 GGADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000563572113 566896667 /nfs/dbraw/zinc/89/66/67/566896667.db2.gz UBOXLEKJOSEBEJ-UHFFFAOYSA-N 2 0 376.595 3.331 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000563585403 566898314 /nfs/dbraw/zinc/89/83/14/566898314.db2.gz BFUZCYMIYOAPLY-UHFFFAOYSA-N 2 0 376.257 3.252 20 0 GGADRP CSC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543776217 566908802 /nfs/dbraw/zinc/90/88/02/566908802.db2.gz MQMAQBFUUQRKKX-RHSMWYFYSA-N 2 0 375.504 3.335 20 0 GGADRP CSC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543776221 566908987 /nfs/dbraw/zinc/90/89/87/566908987.db2.gz MQMAQBFUUQRKKX-YOEHRIQHSA-N 2 0 375.504 3.335 20 0 GGADRP CSC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543776220 566909521 /nfs/dbraw/zinc/90/95/21/566909521.db2.gz MQMAQBFUUQRKKX-WMLDXEAASA-N 2 0 375.504 3.335 20 0 GGADRP [NH3+][C@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000582965550 566910516 /nfs/dbraw/zinc/91/05/16/566910516.db2.gz RFOPNBPSJFSDNB-OAHLLOKOSA-N 2 0 394.293 3.400 20 0 GGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cc(Br)ccc1F ZINC000519076671 566917992 /nfs/dbraw/zinc/91/79/92/566917992.db2.gz YXQJOBRIVJJQTR-HNNXBMFYSA-N 2 0 399.348 3.203 20 0 GGADRP C(C[NH+]1CCC[C@]2(CCSC2)C1)OCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986414 566918407 /nfs/dbraw/zinc/91/84/07/566918407.db2.gz XNUHOLVPIDHEHG-PMACEKPBSA-N 2 0 384.655 3.441 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000544010926 566928790 /nfs/dbraw/zinc/92/87/90/566928790.db2.gz IPPKNNGTCRVDDA-KDOFPFPSSA-N 2 0 394.357 3.004 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])CC(F)F ZINC000583323134 566941075 /nfs/dbraw/zinc/94/10/75/566941075.db2.gz DKYXSNQRAVIKKQ-CQSZACIVSA-N 2 0 382.282 3.256 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000564070457 566941853 /nfs/dbraw/zinc/94/18/53/566941853.db2.gz COMCMYZGWMWODP-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564078553 566943864 /nfs/dbraw/zinc/94/38/64/566943864.db2.gz SSKXILIFPSBFAQ-HOCLYGCPSA-N 2 0 375.340 3.301 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000493818069 566956779 /nfs/dbraw/zinc/95/67/79/566956779.db2.gz LOVNUAXXSIGSKR-KDOFPFPSSA-N 2 0 380.374 3.218 20 0 GGADRP Brc1ccc(-n2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000583499878 566956917 /nfs/dbraw/zinc/95/69/17/566956917.db2.gz DSISWECCWKQWAC-KRWDZBQOSA-N 2 0 389.341 3.456 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493917432 566959976 /nfs/dbraw/zinc/95/99/76/566959976.db2.gz RCLGDPGLROYCNC-MAUKXSAKSA-N 2 0 380.374 3.360 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493917434 566960474 /nfs/dbraw/zinc/96/04/74/566960474.db2.gz RCLGDPGLROYCNC-YJBOKZPZSA-N 2 0 380.374 3.360 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493917431 566960572 /nfs/dbraw/zinc/96/05/72/566960572.db2.gz RCLGDPGLROYCNC-CRAIPNDOSA-N 2 0 380.374 3.360 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000471623065 566966259 /nfs/dbraw/zinc/96/62/59/566966259.db2.gz ZXWQLXGYOUQLIB-HUUCEWRRSA-N 2 0 386.353 3.135 20 0 GGADRP Cc1cc(Br)ccc1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000564606808 566991999 /nfs/dbraw/zinc/99/19/99/566991999.db2.gz ZIMJIDFKVCMFSQ-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP Brc1ccc([C@H]([NH2+][C@H]2CCn3ccnc3C2)[C@@H]2CCCO2)cc1 ZINC000681743987 567002956 /nfs/dbraw/zinc/00/29/56/567002956.db2.gz ZBKBVMZWBKCZNE-BQFCYCMXSA-N 2 0 376.298 3.470 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564799070 567009127 /nfs/dbraw/zinc/00/91/27/567009127.db2.gz HXBAECFBIXGMDZ-HIFRSBDPSA-N 2 0 380.330 3.098 20 0 GGADRP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000584160193 567017815 /nfs/dbraw/zinc/01/78/15/567017815.db2.gz LHUXMTORIGXHHH-JTQLQIEISA-N 2 0 392.135 3.309 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000564892499 567018184 /nfs/dbraw/zinc/01/81/84/567018184.db2.gz YZTSKKVWVJCHLL-KDOFPFPSSA-N 2 0 382.346 3.004 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000494763271 567020508 /nfs/dbraw/zinc/02/05/08/567020508.db2.gz QIGOCLQDALHRNL-MAUKXSAKSA-N 2 0 380.374 3.360 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CC2 ZINC000584208281 567022570 /nfs/dbraw/zinc/02/25/70/567022570.db2.gz FNJJSXMTBMXEIG-GOSISDBHSA-N 2 0 380.374 3.362 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000520799512 567025307 /nfs/dbraw/zinc/02/53/07/567025307.db2.gz LPTCFMGRAXMNHH-CQSZACIVSA-N 2 0 393.380 3.150 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000564973366 567026445 /nfs/dbraw/zinc/02/64/45/567026445.db2.gz BYSPLXMBIVVODC-DTWKUNHWSA-N 2 0 380.124 3.436 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000564988730 567028235 /nfs/dbraw/zinc/02/82/35/567028235.db2.gz OSFCSYXZFCNQJL-QLFBSQMISA-N 2 0 380.330 3.098 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345856 567034452 /nfs/dbraw/zinc/03/44/52/567034452.db2.gz FINJZPULZNBDST-GDBMZVCRSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345859 567035109 /nfs/dbraw/zinc/03/51/09/567035109.db2.gz FINJZPULZNBDST-ZBFHGGJFSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000565115667 567039564 /nfs/dbraw/zinc/03/95/64/567039564.db2.gz LHBNROQVSRLFAB-CQSZACIVSA-N 2 0 389.371 3.136 20 0 GGADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000430931819 567040272 /nfs/dbraw/zinc/04/02/72/567040272.db2.gz DURULXCGNUBKHB-ZDUSSCGKSA-N 2 0 388.293 3.119 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000584463957 567045458 /nfs/dbraw/zinc/04/54/58/567045458.db2.gz XIZIZKQPKSWRMP-ZDUSSCGKSA-N 2 0 389.323 3.283 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584517518 567048679 /nfs/dbraw/zinc/04/86/79/567048679.db2.gz PRPJUAWOCMCSQB-OAUYIBNBSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584517517 567049046 /nfs/dbraw/zinc/04/90/46/567049046.db2.gz PRPJUAWOCMCSQB-AFAVFJNCSA-N 2 0 380.330 3.144 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000657350701 567049822 /nfs/dbraw/zinc/04/98/22/567049822.db2.gz XFMSQAFSBGFMOJ-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453069249 567051141 /nfs/dbraw/zinc/05/11/41/567051141.db2.gz ZHYWSSLWLJABIL-OXQOHEQNSA-N 2 0 394.401 3.386 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc4cc(Br)ccc4o3)C2)CC1 ZINC000657359784 567052018 /nfs/dbraw/zinc/05/20/18/567052018.db2.gz OZBPQVDDFJWACJ-INIZCTEOSA-N 2 0 392.341 3.453 20 0 GGADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)c1O ZINC000584687563 567061206 /nfs/dbraw/zinc/06/12/06/567061206.db2.gz CZKYRQVXHRNWEH-AWEZNQCLSA-N 2 0 383.330 3.327 20 0 GGADRP Brc1ccc2c(c1)[C@H](NCc1nnc(C3CC[NH2+]CC3)[nH]1)CCC2 ZINC000565475815 567070417 /nfs/dbraw/zinc/07/04/17/567070417.db2.gz FPTORXYBDZYDBN-MRXNPFEDSA-N 2 0 390.329 3.201 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453370233 567082048 /nfs/dbraw/zinc/08/20/48/567082048.db2.gz NEIWSEXNFMERCB-ZUMXRPEOSA-N 2 0 387.337 3.058 20 0 GGADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453395340 567085419 /nfs/dbraw/zinc/08/54/19/567085419.db2.gz HUABLIYEIONHCG-QGZVFWFLSA-N 2 0 387.977 3.163 20 0 GGADRP C[C@@]([NH3+])(C(=O)NCCCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000565655297 567086825 /nfs/dbraw/zinc/08/68/25/567086825.db2.gz PLFOONVBQBUJID-IBGZPJMESA-N 2 0 396.373 3.395 20 0 GGADRP Cc1cc(Br)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000453579287 567091985 /nfs/dbraw/zinc/09/19/85/567091985.db2.gz AQIQRPSQXPHOOR-UHFFFAOYSA-N 2 0 386.403 3.467 20 0 GGADRP Cc1cc(Br)c(CNCc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000453586109 567094745 /nfs/dbraw/zinc/09/47/45/567094745.db2.gz IVQJBQKXRKRHGR-UHFFFAOYSA-N 2 0 395.370 3.256 20 0 GGADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812809 567098971 /nfs/dbraw/zinc/09/89/71/567098971.db2.gz FPHBEGJXZKHPMC-UHFFFAOYSA-N 2 0 384.973 3.345 20 0 GGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657825086 567099063 /nfs/dbraw/zinc/09/90/63/567099063.db2.gz WLUAYTLJYARJKK-IBGZPJMESA-N 2 0 382.390 3.243 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833255 567099682 /nfs/dbraw/zinc/09/96/82/567099682.db2.gz QMBHPCHRTQTYAO-GOSISDBHSA-N 2 0 382.390 3.386 20 0 GGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657872682 567102181 /nfs/dbraw/zinc/10/21/81/567102181.db2.gz OUQKLYJAIALQJL-VQIMIIECSA-N 2 0 382.390 3.242 20 0 GGADRP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cnc12 ZINC000566010059 567117534 /nfs/dbraw/zinc/11/75/34/567117534.db2.gz VUQMVQLNYRKYDI-GJZGRUSLSA-N 2 0 377.330 3.227 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000566245111 567142368 /nfs/dbraw/zinc/14/23/68/567142368.db2.gz DBHYLAQXMWEHOE-QAPCUYQASA-N 2 0 386.323 3.150 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000566242151 567142500 /nfs/dbraw/zinc/14/25/00/567142500.db2.gz KDQPALHWAIYSLH-UKRRQHHQSA-N 2 0 384.351 3.492 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000683814736 567154869 /nfs/dbraw/zinc/15/48/69/567154869.db2.gz QOYQZKTVVCLSSM-KRWDZBQOSA-N 2 0 380.374 3.360 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432537172 567167446 /nfs/dbraw/zinc/16/74/46/567167446.db2.gz UFTZDFUVYVHPHD-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH2+]C1CC1 ZINC000637330492 567190565 /nfs/dbraw/zinc/19/05/65/567190565.db2.gz YRTKDETUBBQOID-UHFFFAOYSA-N 2 0 387.355 3.209 20 0 GGADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474739568 567195471 /nfs/dbraw/zinc/19/54/71/567195471.db2.gz WXZCMZNEHAHJKD-UHFFFAOYSA-N 2 0 395.263 3.262 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850551 567196164 /nfs/dbraw/zinc/19/61/64/567196164.db2.gz HCEIYWVBBGWZGX-OAHLLOKOSA-N 2 0 382.346 3.488 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798037 567200554 /nfs/dbraw/zinc/20/05/54/567200554.db2.gz WHVBBBBDPZBDIU-UHFFFAOYSA-N 2 0 381.236 3.014 20 0 GGADRP CN[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300271 567201858 /nfs/dbraw/zinc/20/18/58/567201858.db2.gz OPZAVJFGKCXPBB-PBHICJAKSA-N 2 0 382.291 3.079 20 0 GGADRP CN[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1cccc(Cl)c1Cl ZINC000659303803 567202318 /nfs/dbraw/zinc/20/23/18/567202318.db2.gz VXKOQGLEQPFBCH-APPDUMDISA-N 2 0 379.291 3.104 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159503 567223105 /nfs/dbraw/zinc/22/31/05/567223105.db2.gz OYCJUUDAWXBUES-KZNAEPCWSA-N 2 0 394.357 3.079 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159505 567223611 /nfs/dbraw/zinc/22/36/11/567223611.db2.gz OYCJUUDAWXBUES-RCCFBDPRSA-N 2 0 394.357 3.079 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000433119586 567225169 /nfs/dbraw/zinc/22/51/69/567225169.db2.gz VWBBLZNDHZXXRK-UHFFFAOYSA-N 2 0 388.339 3.082 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000433152649 567227364 /nfs/dbraw/zinc/22/73/64/567227364.db2.gz SKSSVEPGEVWTFD-UHFFFAOYSA-N 2 0 394.357 3.148 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000433153441 567227470 /nfs/dbraw/zinc/22/74/70/567227470.db2.gz WEDSMSHRSOHLKU-GOSISDBHSA-N 2 0 394.357 3.316 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 ZINC000433155062 567227592 /nfs/dbraw/zinc/22/75/92/567227592.db2.gz WGIBLCPEGDTFHP-UHFFFAOYSA-N 2 0 379.917 3.000 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000433153442 567227927 /nfs/dbraw/zinc/22/79/27/567227927.db2.gz WEDSMSHRSOHLKU-SFHVURJKSA-N 2 0 394.357 3.316 20 0 GGADRP Cc1cc(Br)cc(C[NH2+]CCOCC[NH+](C)C)c1OC(F)F ZINC000499225019 567230181 /nfs/dbraw/zinc/23/01/81/567230181.db2.gz ZLVULISVMHMTRD-UHFFFAOYSA-N 2 0 381.261 3.027 20 0 GGADRP Cc1nccn1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000567542743 567254451 /nfs/dbraw/zinc/25/44/51/567254451.db2.gz SYSLEZLGSMFPTE-INIZCTEOSA-N 2 0 375.822 3.313 20 0 GGADRP Cc1nccn1CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000567542744 567254788 /nfs/dbraw/zinc/25/47/88/567254788.db2.gz SYSLEZLGSMFPTE-MRXNPFEDSA-N 2 0 375.822 3.313 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685052 567266760 /nfs/dbraw/zinc/26/67/60/567266760.db2.gz UUPVCYJZNLBWLG-HNNXBMFYSA-N 2 0 382.346 3.345 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685053 567266908 /nfs/dbraw/zinc/26/69/08/567266908.db2.gz UUPVCYJZNLBWLG-OAHLLOKOSA-N 2 0 382.346 3.345 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681647 567267043 /nfs/dbraw/zinc/26/70/43/567267043.db2.gz XWIXNWSGYYWQSJ-GOEBONIOSA-N 2 0 375.340 3.443 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000567748891 567273701 /nfs/dbraw/zinc/27/37/01/567273701.db2.gz NAPAITWYOMSECF-LJQANCHMSA-N 2 0 390.325 3.001 20 0 GGADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638852930 567274269 /nfs/dbraw/zinc/27/42/69/567274269.db2.gz OMOGOYQXFHJAKW-KSSFIOAISA-N 2 0 399.373 3.350 20 0 GGADRP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000685457874 567276168 /nfs/dbraw/zinc/27/61/68/567276168.db2.gz RCMGGDJGLJFJAP-GOSISDBHSA-N 2 0 380.374 3.358 20 0 GGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000685463104 567277091 /nfs/dbraw/zinc/27/70/91/567277091.db2.gz DUEWHCMAZNSGPH-HNNXBMFYSA-N 2 0 381.314 3.342 20 0 GGADRP C[C@@H]1C[C@H]1C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000685469249 567278103 /nfs/dbraw/zinc/27/81/03/567278103.db2.gz UBQVVNFLLKIONF-WBVHZDCISA-N 2 0 398.364 3.294 20 0 GGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000685463105 567278229 /nfs/dbraw/zinc/27/82/29/567278229.db2.gz DUEWHCMAZNSGPH-OAHLLOKOSA-N 2 0 381.314 3.342 20 0 GGADRP C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Br)s1 ZINC000638985707 567281633 /nfs/dbraw/zinc/28/16/33/567281633.db2.gz DXALEZHJKHAECI-LLVKDONJSA-N 2 0 395.326 3.057 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000639057385 567283684 /nfs/dbraw/zinc/28/36/84/567283684.db2.gz NVRGGOGSIASHGQ-UHFFFAOYSA-N 2 0 395.345 3.096 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000591578344 567286036 /nfs/dbraw/zinc/28/60/36/567286036.db2.gz SOXCSAKNBMSMNX-HIFRSBDPSA-N 2 0 386.277 3.237 20 0 GGADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591581799 567287167 /nfs/dbraw/zinc/28/71/67/567287167.db2.gz VHCGRHWFMSQUIL-CZUORRHYSA-N 2 0 384.305 3.344 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567894642 567288478 /nfs/dbraw/zinc/28/84/78/567288478.db2.gz KZBCDVHWIBPOPW-JKSUJKDBSA-N 2 0 384.351 3.273 20 0 GGADRP CN(CCC[N@H+](C)Cc1ccc(Br)c2cccnc12)CC[NH+](C)C ZINC000567958781 567293346 /nfs/dbraw/zinc/29/33/46/567293346.db2.gz ZWRBZHFEEWMPJX-UHFFFAOYSA-N 2 0 393.373 3.313 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000660656429 567318014 /nfs/dbraw/zinc/31/80/14/567318014.db2.gz UHFAPOPJMVYDAS-GOSISDBHSA-N 2 0 398.320 3.335 20 0 GGADRP Cc1nccn1CCCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771173 567319644 /nfs/dbraw/zinc/31/96/44/567319644.db2.gz BJCOCUDBRLYYCU-INIZCTEOSA-N 2 0 379.302 3.283 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000527283447 567326822 /nfs/dbraw/zinc/32/68/22/567326822.db2.gz DRTZSTSAWTVPNT-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP COc1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000568444942 567329045 /nfs/dbraw/zinc/32/90/45/567329045.db2.gz HGGOJJYKEOYHIQ-UHFFFAOYSA-N 2 0 383.330 3.002 20 0 GGADRP Clc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000592471056 567340658 /nfs/dbraw/zinc/34/06/58/567340658.db2.gz WCTOKOCZFROSEJ-RWMBFGLXSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1cc(I)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592471015 567340712 /nfs/dbraw/zinc/34/07/12/567340712.db2.gz RUPHVSSCRHSBIR-YWPYICTPSA-N 2 0 390.696 3.422 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1(C)C ZINC000568664742 567346246 /nfs/dbraw/zinc/34/62/46/567346246.db2.gz RULFSHQMWQOWNU-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ncc(Cl)cc2Br)CC1 ZINC000527687176 567360924 /nfs/dbraw/zinc/36/09/24/567360924.db2.gz NIDSHSLKSWLLNK-UHFFFAOYSA-N 2 0 396.720 3.256 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527693020 567363237 /nfs/dbraw/zinc/36/32/37/567363237.db2.gz QRTFFIWYORJMSA-UHFFFAOYSA-N 2 0 390.316 3.233 20 0 GGADRP OC1(C[NH+]2CCOCC2)CCN([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000501119061 567366234 /nfs/dbraw/zinc/36/62/34/567366234.db2.gz WRBAJGGGICFYSS-SFHVURJKSA-N 2 0 385.335 3.140 20 0 GGADRP OC1(C[NH+]2CCOCC2)CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000501119060 567366606 /nfs/dbraw/zinc/36/66/06/567366606.db2.gz WRBAJGGGICFYSS-GOSISDBHSA-N 2 0 385.335 3.140 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527844588 567378406 /nfs/dbraw/zinc/37/84/06/567378406.db2.gz BNMXRKYMWZTOBV-STQMWFEESA-N 2 0 390.316 3.404 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527844586 567378458 /nfs/dbraw/zinc/37/84/58/567378458.db2.gz BNMXRKYMWZTOBV-QWHCGFSZSA-N 2 0 390.316 3.404 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527848843 567378669 /nfs/dbraw/zinc/37/86/69/567378669.db2.gz KDMUVSVGTZKQRO-ZDUSSCGKSA-N 2 0 390.316 3.406 20 0 GGADRP CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435623424 567379976 /nfs/dbraw/zinc/37/99/76/567379976.db2.gz CNYVAYWBSNDAFF-CQSZACIVSA-N 2 0 386.309 3.381 20 0 GGADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527853272 567380538 /nfs/dbraw/zinc/38/05/38/567380538.db2.gz TYZLZYYDMJYEBL-LBPRGKRZSA-N 2 0 390.316 3.404 20 0 GGADRP Brc1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000569245475 567389487 /nfs/dbraw/zinc/38/94/87/567389487.db2.gz KLVGTOFYTLMEKW-NEPJUHHUSA-N 2 0 397.342 3.382 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501492728 567393243 /nfs/dbraw/zinc/39/32/43/567393243.db2.gz WJSHXQMNBTUQEP-LBPRGKRZSA-N 2 0 377.273 3.054 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549523503 567394786 /nfs/dbraw/zinc/39/47/86/567394786.db2.gz HHTBDGXAVUIVAW-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733998 567407301 /nfs/dbraw/zinc/40/73/01/567407301.db2.gz RFYSDUVXGGASIU-SFHVURJKSA-N 2 0 394.401 3.170 20 0 GGADRP Clc1ccc(COC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662257844 567421979 /nfs/dbraw/zinc/42/19/79/567421979.db2.gz RYYSVEHGZJHFSS-MRXNPFEDSA-N 2 0 385.335 3.495 20 0 GGADRP Cc1cc(Br)c(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000662282635 567424638 /nfs/dbraw/zinc/42/46/38/567424638.db2.gz PQBMWONRAKBCIE-AWEZNQCLSA-N 2 0 398.736 3.298 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1cccc(Br)c1 ZINC000662292453 567425633 /nfs/dbraw/zinc/42/56/33/567425633.db2.gz MYZQUKOJUFTJFG-MRXNPFEDSA-N 2 0 394.357 3.489 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1cccs1 ZINC000662474174 567439220 /nfs/dbraw/zinc/43/92/20/567439220.db2.gz UBOUFBWPEBGTDC-ACJLOTCBSA-N 2 0 375.563 3.268 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662499652 567441742 /nfs/dbraw/zinc/44/17/42/567441742.db2.gz FZANUCWVRQIBCP-UHFFFAOYSA-N 2 0 377.579 3.440 20 0 GGADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000569971857 567447556 /nfs/dbraw/zinc/44/75/56/567447556.db2.gz JAMZPLWIBQSPTC-INIZCTEOSA-N 2 0 384.387 3.213 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000570037149 567454262 /nfs/dbraw/zinc/45/42/62/567454262.db2.gz OPRACTDWSJYHTB-SJLPKXTDSA-N 2 0 399.373 3.433 20 0 GGADRP C[C@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000662667678 567456386 /nfs/dbraw/zinc/45/63/86/567456386.db2.gz CIVLOFKBFMQORY-QFBILLFUSA-N 2 0 394.357 3.146 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000570156941 567463745 /nfs/dbraw/zinc/46/37/45/567463745.db2.gz BIKYCVPTXNLGKN-UHFFFAOYSA-N 2 0 398.364 3.451 20 0 GGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000457449385 567465812 /nfs/dbraw/zinc/46/58/12/567465812.db2.gz IMNOAJCROLQZQC-MRXNPFEDSA-N 2 0 380.583 3.186 20 0 GGADRP C[N@H+](CCCOc1cccc(I)c1)[C@H]1CCC[NH2+]CC1 ZINC000478552454 567467020 /nfs/dbraw/zinc/46/70/20/567467020.db2.gz SPYHQRKJPUMGKY-HNNXBMFYSA-N 2 0 388.293 3.134 20 0 GGADRP CC(C)Sc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000503574435 567495688 /nfs/dbraw/zinc/49/56/88/567495688.db2.gz RYSXYILJNCEKDD-UHFFFAOYSA-N 2 0 387.387 3.496 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000570570041 567496566 /nfs/dbraw/zinc/49/65/66/567496566.db2.gz KCPVONNMZSJTPY-IUCAKERBSA-N 2 0 380.124 3.436 20 0 GGADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cc(Br)ccc21 ZINC000479073622 567501322 /nfs/dbraw/zinc/50/13/22/567501322.db2.gz DWDUCGYVKXVAFD-SFHVURJKSA-N 2 0 381.358 3.465 20 0 GGADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1cccc(Br)c1 ZINC000663375640 567502736 /nfs/dbraw/zinc/50/27/36/567502736.db2.gz WZUMNLAOMFZXEK-UHFFFAOYSA-N 2 0 394.357 3.489 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000643534592 567511381 /nfs/dbraw/zinc/51/13/81/567511381.db2.gz YLKICVUHJZUJQU-BLLLJJGKSA-N 2 0 390.329 3.131 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503900190 567511297 /nfs/dbraw/zinc/51/12/97/567511297.db2.gz DENQIBSUNAAYDM-HZMBPMFUSA-N 2 0 378.685 3.374 20 0 GGADRP COCC1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000643531112 567511792 /nfs/dbraw/zinc/51/17/92/567511792.db2.gz UKKILQNFITUPGJ-MSOLQXFVSA-N 2 0 397.357 3.275 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000643534595 567511958 /nfs/dbraw/zinc/51/19/58/567511958.db2.gz YLKICVUHJZUJQU-WBMJQRKESA-N 2 0 390.329 3.131 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000643534593 567511992 /nfs/dbraw/zinc/51/19/92/567511992.db2.gz YLKICVUHJZUJQU-LRDDRELGSA-N 2 0 390.329 3.131 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000503918496 567513780 /nfs/dbraw/zinc/51/37/80/567513780.db2.gz CELSLKOOVVHOFS-UHFFFAOYSA-N 2 0 377.330 3.456 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000595010177 567534262 /nfs/dbraw/zinc/53/42/62/567534262.db2.gz IDUXPOJTJSYDJC-ZMSDIMECSA-N 2 0 382.289 3.495 20 0 GGADRP Cc1nc2cc(Cl)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2s1 ZINC000571122641 567539503 /nfs/dbraw/zinc/53/95/03/567539503.db2.gz OQQFJAAWFGLCDL-UHFFFAOYSA-N 2 0 383.949 3.215 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479674559 567552625 /nfs/dbraw/zinc/55/26/25/567552625.db2.gz OUXBWBAEPLEJOJ-UHFFFAOYSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479698700 567553797 /nfs/dbraw/zinc/55/37/97/567553797.db2.gz FDRCPOQZXNGKSK-UHFFFAOYSA-N 2 0 394.357 3.489 20 0 GGADRP O=S(=O)(CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000644532506 567555904 /nfs/dbraw/zinc/55/59/04/567555904.db2.gz YPEAAVJPDNUGLP-UHFFFAOYSA-N 2 0 378.563 3.024 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644588778 567561484 /nfs/dbraw/zinc/56/14/84/567561484.db2.gz UBQNWKYCSQRVAV-HUUCEWRRSA-N 2 0 375.340 3.301 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000644576627 567561732 /nfs/dbraw/zinc/56/17/32/567561732.db2.gz MMSQLYLMGOIEKU-MRXNPFEDSA-N 2 0 375.340 3.445 20 0 GGADRP C[C@H]1CN(Cc2cccc(CNc3ccncc3Br)c2)CCO1 ZINC000571458748 567563640 /nfs/dbraw/zinc/56/36/40/567563640.db2.gz BMXQFSRCBIPOHF-AWEZNQCLSA-N 2 0 376.298 3.099 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571514454 567569375 /nfs/dbraw/zinc/56/93/75/567569375.db2.gz ITRMKHUDKLSKLH-XJIUQZFPSA-N 2 0 380.330 3.144 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1C ZINC000505791557 567597073 /nfs/dbraw/zinc/59/70/73/567597073.db2.gz YFSDJYIBNNHUBM-QGZVFWFLSA-N 2 0 396.373 3.246 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000572112170 567614772 /nfs/dbraw/zinc/61/47/72/567614772.db2.gz MXJDMLCXUPXNCD-ZMSRBJPPSA-N 2 0 381.973 3.130 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)c2ccccc2c1 ZINC000645311425 567618211 /nfs/dbraw/zinc/61/82/11/567618211.db2.gz MYXDOJNRKRWVAI-UHFFFAOYSA-N 2 0 392.341 3.168 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000572253341 567625562 /nfs/dbraw/zinc/62/55/62/567625562.db2.gz DFAIBRCJSBFQSC-KSZLIROESA-N 2 0 377.941 3.124 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000572253342 567625848 /nfs/dbraw/zinc/62/58/48/567625848.db2.gz DFAIBRCJSBFQSC-RCCFBDPRSA-N 2 0 377.941 3.124 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645515955 567636810 /nfs/dbraw/zinc/63/68/10/567636810.db2.gz GCRHQBUYYJJYDH-BEFAXECRSA-N 2 0 396.373 3.251 20 0 GGADRP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000480971623 567647981 /nfs/dbraw/zinc/64/79/81/567647981.db2.gz OCONUJIMQTYFDG-CQSZACIVSA-N 2 0 382.346 3.358 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Br ZINC000572763847 567662450 /nfs/dbraw/zinc/66/24/50/567662450.db2.gz FAVRFHXJONXXTL-LSDHHAIUSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000572763814 567662710 /nfs/dbraw/zinc/66/27/10/567662710.db2.gz BBFDAENDDAXBDG-ZDUSSCGKSA-N 2 0 375.314 3.465 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Br ZINC000572763845 567663467 /nfs/dbraw/zinc/66/34/67/567663467.db2.gz FAVRFHXJONXXTL-GJZGRUSLSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000572768399 567664513 /nfs/dbraw/zinc/66/45/13/567664513.db2.gz JCTKLPMDHNJXEO-DNVCBOLYSA-N 2 0 398.389 3.380 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4cc(Br)ccc4o3)C2)CC1 ZINC000597002784 567670193 /nfs/dbraw/zinc/67/01/93/567670193.db2.gz IJBUUMIEIGZECU-KRWDZBQOSA-N 2 0 392.341 3.407 20 0 GGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)cc1Br ZINC000507550553 567685295 /nfs/dbraw/zinc/68/52/95/567685295.db2.gz NOIZJBVJGNCUCX-UHFFFAOYSA-N 2 0 398.389 3.412 20 0 GGADRP C[C@H](C[NH2+]Cc1csc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000573103979 567687995 /nfs/dbraw/zinc/68/79/95/567687995.db2.gz IQQQTCNBCSUVQF-CYBMUJFWSA-N 2 0 382.371 3.389 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000531937207 567690384 /nfs/dbraw/zinc/69/03/84/567690384.db2.gz MFEUFGBWQFWYPI-KBRIMQKVSA-N 2 0 380.330 3.383 20 0 GGADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000597248470 567691821 /nfs/dbraw/zinc/69/18/21/567691821.db2.gz WYCZBLWSPWGVML-UHFFFAOYSA-N 2 0 395.341 3.447 20 0 GGADRP Brc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)s1 ZINC000573207343 567697111 /nfs/dbraw/zinc/69/71/11/567697111.db2.gz NQVJDVHDXVPOGD-VXGBXAGGSA-N 2 0 397.342 3.382 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1C ZINC000460906682 567709106 /nfs/dbraw/zinc/70/91/06/567709106.db2.gz DDOMTPUFXZLKKP-KRWDZBQOSA-N 2 0 396.373 3.246 20 0 GGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442860500 567712498 /nfs/dbraw/zinc/71/24/98/567712498.db2.gz BSGPROICVFDZQL-CQSZACIVSA-N 2 0 386.353 3.135 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1(C)C ZINC000442880364 567713965 /nfs/dbraw/zinc/71/39/65/567713965.db2.gz XLUKTEAUYFODEC-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000442878634 567714047 /nfs/dbraw/zinc/71/40/47/567714047.db2.gz UEWUTVGAOOAYMZ-KRWDZBQOSA-N 2 0 380.374 3.360 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(Br)c1OC(F)F ZINC000666952262 567714007 /nfs/dbraw/zinc/71/40/07/567714007.db2.gz NEHPOKZVJKISDA-CYBMUJFWSA-N 2 0 391.256 3.291 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1(C)C ZINC000442869700 567714339 /nfs/dbraw/zinc/71/43/39/567714339.db2.gz FBCYOFGCUPXBCU-QGZVFWFLSA-N 2 0 396.373 3.278 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952350 567714537 /nfs/dbraw/zinc/71/45/37/567714537.db2.gz SMAZGBNPFRQOKJ-QGZVFWFLSA-N 2 0 375.314 3.175 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1(C)C ZINC000442880367 567714569 /nfs/dbraw/zinc/71/45/69/567714569.db2.gz XLUKTEAUYFODEC-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995133 567716779 /nfs/dbraw/zinc/71/67/79/567716779.db2.gz DRJJDSOQHIUCGO-BBRMVZONSA-N 2 0 380.330 3.431 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000573490532 567717866 /nfs/dbraw/zinc/71/78/66/567717866.db2.gz NVIAWPAMUNHPKJ-OAHLLOKOSA-N 2 0 380.330 3.099 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533179503 567757845 /nfs/dbraw/zinc/75/78/45/567757845.db2.gz POSBMDBLGODSDH-AWEZNQCLSA-N 2 0 386.327 3.021 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000462114290 567774730 /nfs/dbraw/zinc/77/47/30/567774730.db2.gz ASJHCKYQIRZPCG-SFHVURJKSA-N 2 0 381.358 3.131 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1O ZINC000647542930 567790437 /nfs/dbraw/zinc/79/04/37/567790437.db2.gz DVAKNXYJTWAICI-KGLIPLIRSA-N 2 0 383.330 3.375 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647542960 567790741 /nfs/dbraw/zinc/79/07/41/567790741.db2.gz FGGMNZIRFXSIBV-ZIAGYGMSSA-N 2 0 383.330 3.375 20 0 GGADRP Brc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543400 567790908 /nfs/dbraw/zinc/79/09/08/567790908.db2.gz MQAXABAOURTKPJ-LSDHHAIUSA-N 2 0 377.330 3.308 20 0 GGADRP Brc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543397 567790957 /nfs/dbraw/zinc/79/09/57/567790957.db2.gz MQAXABAOURTKPJ-CABCVRRESA-N 2 0 377.330 3.308 20 0 GGADRP Brc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543398 567791145 /nfs/dbraw/zinc/79/11/45/567791145.db2.gz MQAXABAOURTKPJ-GJZGRUSLSA-N 2 0 377.330 3.308 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000574845294 567800017 /nfs/dbraw/zinc/80/00/17/567800017.db2.gz SOJUCKMPAFYHEB-VXGBXAGGSA-N 2 0 376.257 3.423 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000574845292 567800535 /nfs/dbraw/zinc/80/05/35/567800535.db2.gz SOJUCKMPAFYHEB-NWDGAFQWSA-N 2 0 376.257 3.423 20 0 GGADRP Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647790289 567800988 /nfs/dbraw/zinc/80/09/88/567800988.db2.gz VQSBFLRRISPGTL-KYHPRHEASA-N 2 0 378.358 3.253 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCOCC2)c1 ZINC000647792140 567802037 /nfs/dbraw/zinc/80/20/37/567802037.db2.gz UJRFSRMXDOCXIS-JTDSTZFVSA-N 2 0 393.369 3.475 20 0 GGADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647975226 567808704 /nfs/dbraw/zinc/80/87/04/567808704.db2.gz RFHBYCGQIMLKBX-LSDHHAIUSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647976957 567809089 /nfs/dbraw/zinc/80/90/89/567809089.db2.gz WHJXSZFLNQTCSF-JKSUJKDBSA-N 2 0 394.357 3.489 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986878 567809704 /nfs/dbraw/zinc/80/97/04/567809704.db2.gz ILBXBQPZEVYFFN-ZIAGYGMSSA-N 2 0 383.330 3.288 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987297 567810036 /nfs/dbraw/zinc/81/00/36/567810036.db2.gz GUOOLGAEIUZNMK-SOUVJXGZSA-N 2 0 384.351 3.492 20 0 GGADRP c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738413627 598717471 /nfs/dbraw/zinc/71/74/71/598717471.db2.gz ZBLZYOBWYXBHMQ-IBGZPJMESA-N 2 0 398.555 3.224 20 0 GGADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000820722343 606407880 /nfs/dbraw/zinc/40/78/80/606407880.db2.gz HWEINONXZZJBNN-UHFFFAOYSA-N 2 0 382.537 3.450 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625012 607104176 /nfs/dbraw/zinc/10/41/76/607104176.db2.gz CNUPJYVUVFDMRR-DENIHFKCSA-N 2 0 388.519 3.450 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540290 609165984 /nfs/dbraw/zinc/16/59/84/609165984.db2.gz VGSZWNQAHMOJFA-JJCGOBCMSA-N 2 0 388.519 3.428 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccc(-c2nn[nH]n2)c1 ZINC000824537621 609167323 /nfs/dbraw/zinc/16/73/23/609167323.db2.gz FDMMSWXMIHWOIT-HAFPXEGZSA-N 2 0 388.519 3.428 20 0 GGADRP Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000053743696 1406499342 /nfs/dbraw/zinc/49/93/42/1406499342.db2.gz ROEUOVUVIVGPBP-UHFFFAOYSA-N 2 0 394.563 3.399 20 0 GGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053753187 1406503224 /nfs/dbraw/zinc/50/32/24/1406503224.db2.gz DJTYYOCMFZVOIW-IBGZPJMESA-N 2 0 386.584 3.461 20 0 GGADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000053958438 1406569959 /nfs/dbraw/zinc/56/99/59/1406569959.db2.gz YHWFSZFZFGGHNT-UHFFFAOYSA-N 2 0 390.572 3.031 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053991194 1406579721 /nfs/dbraw/zinc/57/97/21/1406579721.db2.gz HWPLFGKUPGDJAC-UHFFFAOYSA-N 2 0 380.536 3.318 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054038989 1406599092 /nfs/dbraw/zinc/59/90/92/1406599092.db2.gz QKCFODRSIWWHHU-OAQYLSRUSA-N 2 0 388.556 3.007 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000054039778 1406600936 /nfs/dbraw/zinc/60/09/36/1406600936.db2.gz DJRWZPPHCMYLEN-HZPDHXFCSA-N 2 0 376.526 3.080 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000054042380 1406601372 /nfs/dbraw/zinc/60/13/72/1406601372.db2.gz DWNLIOGNEBNKDT-SFHVURJKSA-N 2 0 378.586 3.306 20 0 GGADRP O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000054045741 1406604491 /nfs/dbraw/zinc/60/44/91/1406604491.db2.gz NHEQZEPKCMTKAK-IBGZPJMESA-N 2 0 378.948 3.262 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000054509945 1406756768 /nfs/dbraw/zinc/75/67/68/1406756768.db2.gz YUJKMRRDCJTYIZ-SFHVURJKSA-N 2 0 392.975 3.336 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)o1 ZINC000054698740 1406808117 /nfs/dbraw/zinc/80/81/17/1406808117.db2.gz VHKXJYCHIUYUSZ-FPOVZHCZSA-N 2 0 398.551 3.497 20 0 GGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000054718013 1406811807 /nfs/dbraw/zinc/81/18/07/1406811807.db2.gz SIUFLPJPMPBPNY-AVRDEDQJSA-N 2 0 380.536 3.383 20 0 GGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000054720572 1406813081 /nfs/dbraw/zinc/81/30/81/1406813081.db2.gz IXJRVPZRXBVAQW-AVRDEDQJSA-N 2 0 380.536 3.383 20 0 GGADRP C[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054763449 1406820992 /nfs/dbraw/zinc/82/09/92/1406820992.db2.gz PFTSMVWUCAVUCQ-UHFFFAOYSA-N 2 0 380.536 3.214 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054920670 1406851034 /nfs/dbraw/zinc/85/10/34/1406851034.db2.gz TUFGOKNYXBPPLN-HSZRJFAPSA-N 2 0 392.547 3.356 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054920667 1406851275 /nfs/dbraw/zinc/85/12/75/1406851275.db2.gz TUFGOKNYXBPPLN-QHCPKHFHSA-N 2 0 392.547 3.356 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3ccccc3)cc2)CC1 ZINC000015523839 1399168989 /nfs/dbraw/zinc/16/89/89/1399168989.db2.gz SPDKHQTTXVBHKC-IBGZPJMESA-N 2 0 380.536 3.460 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3ccccc3)cc2)CC1 ZINC000015523840 1399169078 /nfs/dbraw/zinc/16/90/78/1399169078.db2.gz SPDKHQTTXVBHKC-LJQANCHMSA-N 2 0 380.536 3.460 20 0 GGADRP CCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000027117409 1399985419 /nfs/dbraw/zinc/98/54/19/1399985419.db2.gz JJGQOTLOECXIRK-UHFFFAOYSA-N 2 0 375.557 3.001 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000028887777 1400207566 /nfs/dbraw/zinc/20/75/66/1400207566.db2.gz QSZPJCIAEOROMW-SFHVURJKSA-N 2 0 396.535 3.033 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000028887679 1400207609 /nfs/dbraw/zinc/20/76/09/1400207609.db2.gz MCLGGNVICDPHJY-KRWDZBQOSA-N 2 0 388.556 3.165 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccs1 ZINC000029655843 1400330413 /nfs/dbraw/zinc/33/04/13/1400330413.db2.gz MBOBMVNQRSGYSB-IBGZPJMESA-N 2 0 386.565 3.446 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000029694463 1400338034 /nfs/dbraw/zinc/33/80/34/1400338034.db2.gz MFGWOVPDDZKQBW-JQVVWYNYSA-N 2 0 387.568 3.316 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000029694474 1400338066 /nfs/dbraw/zinc/33/80/66/1400338066.db2.gz MFGWOVPDDZKQBW-KNKQGSTJSA-N 2 0 387.568 3.316 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000029694458 1400338094 /nfs/dbraw/zinc/33/80/94/1400338094.db2.gz MFGWOVPDDZKQBW-XQBPLPMBSA-N 2 0 387.568 3.316 20 0 GGADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000056156190 1407232671 /nfs/dbraw/zinc/23/26/71/1407232671.db2.gz KDRKFFGCCXHTDZ-MSOLQXFVSA-N 2 0 388.556 3.021 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)c1 ZINC000056184781 1407244107 /nfs/dbraw/zinc/24/41/07/1407244107.db2.gz ZZLJVGDPEFAFKO-QGZVFWFLSA-N 2 0 396.535 3.005 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043037908 1403694690 /nfs/dbraw/zinc/69/46/90/1403694690.db2.gz WJLVNJJPGVDUSR-IBGZPJMESA-N 2 0 376.545 3.418 20 0 GGADRP COc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+]2CCCC2)cc1 ZINC000043110977 1403710623 /nfs/dbraw/zinc/71/06/23/1403710623.db2.gz KFTRDXAPTVKHQS-NRFANRHFSA-N 2 0 390.572 3.061 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000043136549 1403713646 /nfs/dbraw/zinc/71/36/46/1403713646.db2.gz AFVGTODWHMKWFW-IBGZPJMESA-N 2 0 376.545 3.226 20 0 GGADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167139 1403723552 /nfs/dbraw/zinc/72/35/52/1403723552.db2.gz IAXYZHLUZBLJQA-NRFANRHFSA-N 2 0 398.551 3.232 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000056525198 1407353310 /nfs/dbraw/zinc/35/33/10/1407353310.db2.gz NHMGGRSWDDIVHB-UHFFFAOYSA-N 2 0 383.536 3.472 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)CC(C)C ZINC000043800093 1403819626 /nfs/dbraw/zinc/81/96/26/1403819626.db2.gz CHZIOVKGWAXDDL-IBGZPJMESA-N 2 0 389.588 3.316 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=S)NCCC[NH+](C)C)cc2)C1 ZINC000044152573 1403888660 /nfs/dbraw/zinc/88/86/60/1403888660.db2.gz OIFULMDQVNENSR-HDICACEKSA-N 2 0 376.614 3.080 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000044276706 1403910693 /nfs/dbraw/zinc/91/06/93/1403910693.db2.gz XMHDNUPVGCHWOH-UHFFFAOYSA-N 2 0 376.570 3.231 20 0 GGADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182394 1404068842 /nfs/dbraw/zinc/06/88/42/1404068842.db2.gz SHZDYXAEONPEFO-WOJBJXKFSA-N 2 0 390.959 3.230 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000045182258 1404069090 /nfs/dbraw/zinc/06/90/90/1404069090.db2.gz GZAKYJLHJUDQGL-QGZVFWFLSA-N 2 0 392.975 3.336 20 0 GGADRP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000045182260 1404069129 /nfs/dbraw/zinc/06/91/29/1404069129.db2.gz GZAKYJLHJUDQGL-KRWDZBQOSA-N 2 0 392.975 3.336 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000045756623 1404195854 /nfs/dbraw/zinc/19/58/54/1404195854.db2.gz KEMUWDCIDVODBU-UHFFFAOYSA-N 2 0 384.568 3.229 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000045776857 1404201084 /nfs/dbraw/zinc/20/10/84/1404201084.db2.gz CGUIRKIBSXERNE-FGZHOGPDSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000045780853 1404202297 /nfs/dbraw/zinc/20/22/97/1404202297.db2.gz FVQPOHJZUIVHRZ-STZQEDGTSA-N 2 0 384.568 3.487 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045983950 1404263207 /nfs/dbraw/zinc/26/32/07/1404263207.db2.gz QHLHZJLNYPYSDV-IBGZPJMESA-N 2 0 387.572 3.215 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccsc1 ZINC000046347148 1404377776 /nfs/dbraw/zinc/37/77/76/1404377776.db2.gz LATZFAICJMBYPA-FQEVSTJZSA-N 2 0 386.565 3.268 20 0 GGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000046926594 1404637166 /nfs/dbraw/zinc/63/71/66/1404637166.db2.gz URPMQDBIIFWIFH-UHFFFAOYSA-N 2 0 394.563 3.474 20 0 GGADRP COc1cccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000047302359 1404795988 /nfs/dbraw/zinc/79/59/88/1404795988.db2.gz ODBBIVWKRRKOAF-HSZRJFAPSA-N 2 0 395.547 3.326 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047301916 1404796083 /nfs/dbraw/zinc/79/60/83/1404796083.db2.gz GMMNGELRDSIWLE-HSZRJFAPSA-N 2 0 377.532 3.289 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000047776059 1404938150 /nfs/dbraw/zinc/93/81/50/1404938150.db2.gz OYZWUIVJKFEDJN-UHFFFAOYSA-N 2 0 380.536 3.072 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000047793484 1404947802 /nfs/dbraw/zinc/94/78/02/1404947802.db2.gz CEYGFXDAWRRJMI-OAQYLSRUSA-N 2 0 388.556 3.006 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000047883627 1404982364 /nfs/dbraw/zinc/98/23/64/1404982364.db2.gz OWHGNGUWZHTAFS-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000047883497 1404982886 /nfs/dbraw/zinc/98/28/86/1404982886.db2.gz JVPBKENBNMUTPW-FQEVSTJZSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047950580 1405008405 /nfs/dbraw/zinc/00/84/05/1405008405.db2.gz BFEGPPSERFRGJE-PMACEKPBSA-N 2 0 398.576 3.459 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000047978915 1405014082 /nfs/dbraw/zinc/01/40/82/1405014082.db2.gz FYJPCUMSCNKKAL-OALUTQOASA-N 2 0 386.584 3.448 20 0 GGADRP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000047978306 1405014104 /nfs/dbraw/zinc/01/41/04/1405014104.db2.gz DZROEJXLYRZQDO-UHFFFAOYSA-N 2 0 375.557 3.098 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000047977379 1405014317 /nfs/dbraw/zinc/01/43/17/1405014317.db2.gz WKZUVDDHGKTYOI-UHFFFAOYSA-N 2 0 383.939 3.491 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000047978917 1405014968 /nfs/dbraw/zinc/01/49/68/1405014968.db2.gz FLUXGQJXULDAJC-KDURUIRLSA-N 2 0 386.584 3.448 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000048220526 1405103531 /nfs/dbraw/zinc/10/35/31/1405103531.db2.gz XQNUUZXIZPBSJP-UHFFFAOYSA-N 2 0 380.536 3.343 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000048394818 1405177050 /nfs/dbraw/zinc/17/70/50/1405177050.db2.gz RFTKCUQZYINACE-SFHVURJKSA-N 2 0 384.568 3.487 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048394991 1405177379 /nfs/dbraw/zinc/17/73/79/1405177379.db2.gz GXJSNXYSCQCGEI-SFHVURJKSA-N 2 0 384.568 3.487 20 0 GGADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048563956 1405225640 /nfs/dbraw/zinc/22/56/40/1405225640.db2.gz DHVWKRRTJGVIJW-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048564873 1405226579 /nfs/dbraw/zinc/22/65/79/1405226579.db2.gz MXNZBKGBDUZDAL-LJQANCHMSA-N 2 0 387.568 3.288 20 0 GGADRP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564767 1405226751 /nfs/dbraw/zinc/22/67/51/1405226751.db2.gz GITFMGCEDLGGBU-UHFFFAOYSA-N 2 0 375.532 3.372 20 0 GGADRP Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(OCC[NH+](C)C)c1 ZINC000173475212 1426649136 /nfs/dbraw/zinc/64/91/36/1426649136.db2.gz KALUOHOJHUTKIQ-GOSISDBHSA-N 2 0 376.545 3.274 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C[NH+]1CCCCC1 ZINC000050136849 1405497493 /nfs/dbraw/zinc/49/74/93/1405497493.db2.gz HJELRMOUXDIUEF-MOPGFXCFSA-N 2 0 392.613 3.381 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CC1 ZINC000051189717 1405740919 /nfs/dbraw/zinc/74/09/19/1405740919.db2.gz IJXRENRLNQMRJF-UHFFFAOYSA-N 2 0 387.959 3.378 20 0 GGADRP CC(C)(C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000051343587 1405792696 /nfs/dbraw/zinc/79/26/96/1405792696.db2.gz UKXSNQFIHATAKR-UHFFFAOYSA-N 2 0 394.563 3.013 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000176281798 1428219353 /nfs/dbraw/zinc/21/93/53/1428219353.db2.gz MDSVOFJTEUXIBL-OAHLLOKOSA-N 2 0 397.947 3.350 20 0 GGADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051957405 1405889805 /nfs/dbraw/zinc/88/98/05/1405889805.db2.gz IBRYWBGVVJZJEK-SIKLNZKXSA-N 2 0 387.568 3.077 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000056786976 1407432445 /nfs/dbraw/zinc/43/24/45/1407432445.db2.gz KWRDQYPZYRSKFI-AZUAARDMSA-N 2 0 386.584 3.379 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000056792163 1407435033 /nfs/dbraw/zinc/43/50/33/1407435033.db2.gz BPPRBONBSDZECK-IBGZPJMESA-N 2 0 376.545 3.180 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056845976 1407454312 /nfs/dbraw/zinc/45/43/12/1407454312.db2.gz WDCUFYTXGRCUTM-UHFFFAOYSA-N 2 0 386.584 3.333 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cccs1 ZINC000056937831 1407479090 /nfs/dbraw/zinc/47/90/90/1407479090.db2.gz PUUDSDIVJXKGBD-DLBZAZTESA-N 2 0 378.517 3.092 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000057039138 1407506449 /nfs/dbraw/zinc/50/64/49/1407506449.db2.gz JKPGMBZDHLOLBV-GOSISDBHSA-N 2 0 390.547 3.211 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000057043178 1407507959 /nfs/dbraw/zinc/50/79/59/1407507959.db2.gz FJTBBXAASGQFGT-RTBURBONSA-N 2 0 376.545 3.228 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057138946 1407534194 /nfs/dbraw/zinc/53/41/94/1407534194.db2.gz STYWVELYGBGJEE-HSZRJFAPSA-N 2 0 377.532 3.432 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057174357 1407545225 /nfs/dbraw/zinc/54/52/25/1407545225.db2.gz CKIYSWFCLIYHMI-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057619271 1407669048 /nfs/dbraw/zinc/66/90/48/1407669048.db2.gz SDKIAGJZWUJSSW-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000057705827 1407694211 /nfs/dbraw/zinc/69/42/11/1407694211.db2.gz BYLCPESWLKLWGG-DNVCBOLYSA-N 2 0 383.458 3.040 20 0 GGADRP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000057705822 1407694971 /nfs/dbraw/zinc/69/49/71/1407694971.db2.gz BYLCPESWLKLWGG-HNAYVOBHSA-N 2 0 383.458 3.040 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000057843883 1407735997 /nfs/dbraw/zinc/73/59/97/1407735997.db2.gz VDWYATJGTKPSIP-UHFFFAOYSA-N 2 0 394.519 3.179 20 0 GGADRP CCOc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889086 1407746478 /nfs/dbraw/zinc/74/64/78/1407746478.db2.gz QRMMQTWKYZZBEE-OAQYLSRUSA-N 2 0 390.568 3.413 20 0 GGADRP CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000059037204 1407913879 /nfs/dbraw/zinc/91/38/79/1407913879.db2.gz NTMJCFZWUOBRAR-SFHVURJKSA-N 2 0 376.545 3.370 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000176367615 1428275377 /nfs/dbraw/zinc/27/53/77/1428275377.db2.gz XVTRVGGPXBLXGD-YADHBBJMSA-N 2 0 384.568 3.441 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000060566594 1408003729 /nfs/dbraw/zinc/00/37/29/1408003729.db2.gz PJCHCEYJLQQKOI-UHFFFAOYSA-N 2 0 384.568 3.300 20 0 GGADRP Fc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1-n1cncn1 ZINC000060952570 1408055207 /nfs/dbraw/zinc/05/52/07/1408055207.db2.gz JZFSHQVJILIVSA-UHFFFAOYSA-N 2 0 385.512 3.470 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCCC1 ZINC000060955201 1408056183 /nfs/dbraw/zinc/05/61/83/1408056183.db2.gz MPMPDDWJOQTVSL-HXUWFJFHSA-N 2 0 390.572 3.250 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000061036593 1408068600 /nfs/dbraw/zinc/06/86/00/1408068600.db2.gz LDJIFVMXSWKMAW-UHFFFAOYSA-N 2 0 392.613 3.381 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(OC)cc3OC)cc2)CC1 ZINC000061070128 1408073645 /nfs/dbraw/zinc/07/36/45/1408073645.db2.gz MBCDXKNBVVWXIR-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP C[N@H+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000061142105 1408082343 /nfs/dbraw/zinc/08/23/43/1408082343.db2.gz FMNHZIZHLMGCMX-IBGZPJMESA-N 2 0 376.545 3.370 20 0 GGADRP CC(C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000061142082 1408082390 /nfs/dbraw/zinc/08/23/90/1408082390.db2.gz RHGUGIZNTCWWJY-PMACEKPBSA-N 2 0 390.572 3.472 20 0 GGADRP C[N@H+](CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)Cc1ccccc1 ZINC000061142092 1408082623 /nfs/dbraw/zinc/08/26/23/1408082623.db2.gz NNKVLXDVANLWEC-HXUWFJFHSA-N 2 0 384.524 3.238 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000061221095 1408092154 /nfs/dbraw/zinc/09/21/54/1408092154.db2.gz NXPXSBYTWIQZES-JTSKRJEESA-N 2 0 398.526 3.174 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000061220862 1408092276 /nfs/dbraw/zinc/09/22/76/1408092276.db2.gz IIDVXTRRHUEORV-YADHBBJMSA-N 2 0 398.526 3.392 20 0 GGADRP C[N@H+](CCCNC(=O)NCCC[NH+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000061501191 1408137880 /nfs/dbraw/zinc/13/78/80/1408137880.db2.gz IVTLXEZXILTKPN-UHFFFAOYSA-N 2 0 394.563 3.256 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000061957201 1408193262 /nfs/dbraw/zinc/19/32/62/1408193262.db2.gz BNPIVIZKLLFCHV-UXHICEINSA-N 2 0 386.565 3.315 20 0 GGADRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000062426487 1408256489 /nfs/dbraw/zinc/25/64/89/1408256489.db2.gz QRSNRCIVOSWGTO-HXUWFJFHSA-N 2 0 375.520 3.484 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000062426977 1408257146 /nfs/dbraw/zinc/25/71/46/1408257146.db2.gz XXAGOLKDRYJPPN-KRWDZBQOSA-N 2 0 384.524 3.068 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473660 1408262475 /nfs/dbraw/zinc/26/24/75/1408262475.db2.gz NTCHHTTWZNHFQT-UHFFFAOYSA-N 2 0 378.536 3.208 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473661 1408262784 /nfs/dbraw/zinc/26/27/84/1408262784.db2.gz QMAGADDIGRAKPS-UHFFFAOYSA-N 2 0 396.526 3.347 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063150708 1408309234 /nfs/dbraw/zinc/30/92/34/1408309234.db2.gz KNNXDSWBHQFHKN-UHFFFAOYSA-N 2 0 388.625 3.332 20 0 GGADRP C[NH+](C)CCC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063150518 1408309334 /nfs/dbraw/zinc/30/93/34/1408309334.db2.gz PWWXSIWIKLROLE-UHFFFAOYSA-N 2 0 388.625 3.189 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063150849 1408310171 /nfs/dbraw/zinc/31/01/71/1408310171.db2.gz IWALCJUMRMAURU-OALUTQOASA-N 2 0 388.625 3.236 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc(N4CCCC4)nc3)CC2)cc1 ZINC000063319684 1408336290 /nfs/dbraw/zinc/33/62/90/1408336290.db2.gz YTURLUOEOZRRJH-UHFFFAOYSA-N 2 0 395.551 3.087 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000063407937 1408349990 /nfs/dbraw/zinc/34/99/90/1408349990.db2.gz JMVMGIRSDHNPJU-KDURUIRLSA-N 2 0 378.605 3.308 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063407684 1408350004 /nfs/dbraw/zinc/35/00/04/1408350004.db2.gz RZEGCVMHDYXDPU-UHFFFAOYSA-N 2 0 378.605 3.452 20 0 GGADRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2ccccc2)CC1 ZINC000063441506 1408355033 /nfs/dbraw/zinc/35/50/33/1408355033.db2.gz KGSWUORHTAAYBY-UHFFFAOYSA-O 2 0 388.944 3.250 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063566943 1408372917 /nfs/dbraw/zinc/37/29/17/1408372917.db2.gz YHOPSFGGADBRNH-UHFFFAOYSA-N 2 0 388.625 3.332 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000063728058 1408397944 /nfs/dbraw/zinc/39/79/44/1408397944.db2.gz QLJKGNDLTJIKTI-UHFFFAOYSA-N 2 0 375.557 3.354 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064244478 1408520173 /nfs/dbraw/zinc/52/01/73/1408520173.db2.gz VUVVKLFDGOWCDM-UHFFFAOYSA-N 2 0 392.613 3.333 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000064644511 1408590216 /nfs/dbraw/zinc/59/02/16/1408590216.db2.gz BTBVVVOEVUJKQB-LJQANCHMSA-N 2 0 392.613 3.381 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000065055129 1408640305 /nfs/dbraw/zinc/64/03/05/1408640305.db2.gz GYUBPNCXFQYVLQ-UHFFFAOYSA-N 2 0 392.547 3.282 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000065441686 1408670029 /nfs/dbraw/zinc/67/00/29/1408670029.db2.gz RLGFJZKHPMTPRZ-JOCHJYFZSA-N 2 0 386.584 3.448 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1cccs1 ZINC000065442104 1408670245 /nfs/dbraw/zinc/67/02/45/1408670245.db2.gz JSCDMMZOHRUZLA-SFHVURJKSA-N 2 0 378.586 3.258 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000065470222 1408674116 /nfs/dbraw/zinc/67/41/16/1408674116.db2.gz OYXXIMBCZGBFDN-VXKWHMMOSA-N 2 0 382.552 3.070 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065519132 1408682985 /nfs/dbraw/zinc/68/29/85/1408682985.db2.gz FSUQGNHMQBSCDJ-YADHBBJMSA-N 2 0 384.568 3.168 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000065526984 1408684615 /nfs/dbraw/zinc/68/46/15/1408684615.db2.gz GNUNZSFCMCEYLS-JZXOWHBKSA-N 2 0 380.602 3.407 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000176493860 1428339466 /nfs/dbraw/zinc/33/94/66/1428339466.db2.gz ZDHKIFOCYQPLSE-NRFANRHFSA-N 2 0 376.589 3.443 20 0 GGADRP Cc1ccc(C[NH+]2CCCN(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000065541814 1408686626 /nfs/dbraw/zinc/68/66/26/1408686626.db2.gz JNDVPGKSNUUBCO-UHFFFAOYSA-N 2 0 394.563 3.344 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000065866310 1408744450 /nfs/dbraw/zinc/74/44/50/1408744450.db2.gz AZKNNCCYLWGVQH-OAQYLSRUSA-N 2 0 383.511 3.416 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000065909743 1408752723 /nfs/dbraw/zinc/75/27/23/1408752723.db2.gz WUEKDOSERYMZTF-UHFFFAOYSA-N 2 0 394.519 3.425 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000066177925 1408787666 /nfs/dbraw/zinc/78/76/66/1408787666.db2.gz RKSVMLTYCJAZGS-UHFFFAOYSA-N 2 0 386.584 3.209 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000066243808 1408795146 /nfs/dbraw/zinc/79/51/46/1408795146.db2.gz JBSITVVZKKMFFY-NRFANRHFSA-N 2 0 380.536 3.264 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000066244674 1408795175 /nfs/dbraw/zinc/79/51/75/1408795175.db2.gz ONGFGNXOMCMXOY-UHFFFAOYSA-N 2 0 380.536 3.264 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000066840413 1408926074 /nfs/dbraw/zinc/92/60/74/1408926074.db2.gz VNRKAUPKZALRRH-FQEVSTJZSA-N 2 0 386.540 3.314 20 0 GGADRP Cn1c2ccccc2nc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000066973421 1408969475 /nfs/dbraw/zinc/96/94/75/1408969475.db2.gz DPIJYZZSYBDHLF-UHFFFAOYSA-N 2 0 391.563 3.261 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000066994562 1408974574 /nfs/dbraw/zinc/97/45/74/1408974574.db2.gz RFINASOIBMBXCF-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000066994638 1408974806 /nfs/dbraw/zinc/97/48/06/1408974806.db2.gz YQLHBDCAOODUIC-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000067003309 1408977786 /nfs/dbraw/zinc/97/77/86/1408977786.db2.gz SJBDAOBNXAEFDX-WOJBJXKFSA-N 2 0 384.524 3.327 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000067003400 1408977858 /nfs/dbraw/zinc/97/78/58/1408977858.db2.gz ORBRTKJJAQNMGZ-HOTGVXAUSA-N 2 0 378.542 3.326 20 0 GGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000067064931 1408997757 /nfs/dbraw/zinc/99/77/57/1408997757.db2.gz NJMRGYXLOLMUQT-UHFFFAOYSA-N 2 0 382.552 3.412 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)ccn2)CC1 ZINC000067121667 1409013066 /nfs/dbraw/zinc/01/30/66/1409013066.db2.gz ZBJDKFLVZHIEFH-UHFFFAOYSA-N 2 0 396.869 3.378 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000067189079 1409036559 /nfs/dbraw/zinc/03/65/59/1409036559.db2.gz UXQANUCIKORVOB-ROUUACIJSA-N 2 0 384.568 3.260 20 0 GGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000067382620 1409094881 /nfs/dbraw/zinc/09/48/81/1409094881.db2.gz ZHKASWQJEACAEN-HSZRJFAPSA-N 2 0 396.579 3.453 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000067391756 1409099049 /nfs/dbraw/zinc/09/90/49/1409099049.db2.gz NXDAKQCSBNQPOI-FGZHOGPDSA-N 2 0 384.568 3.167 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000067453119 1409122774 /nfs/dbraw/zinc/12/27/74/1409122774.db2.gz POISJXLYBLCSLS-HUUCEWRRSA-N 2 0 385.346 3.437 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000176604363 1428377620 /nfs/dbraw/zinc/37/76/20/1428377620.db2.gz KCEMIARGGBNCRE-VXKWHMMOSA-N 2 0 386.584 3.413 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067658388 1409199544 /nfs/dbraw/zinc/19/95/44/1409199544.db2.gz ZRPOMNSQALIKGD-HSZRJFAPSA-N 2 0 392.547 3.350 20 0 GGADRP COc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000067667394 1409202562 /nfs/dbraw/zinc/20/25/62/1409202562.db2.gz LQJVCLRWPYITPF-UHFFFAOYSA-N 2 0 397.563 3.486 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000067686507 1409207103 /nfs/dbraw/zinc/20/71/03/1409207103.db2.gz WSDHHDABRSGFPJ-SFHVURJKSA-N 2 0 392.975 3.334 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000067734554 1409217061 /nfs/dbraw/zinc/21/70/61/1409217061.db2.gz RGBBJRIICMHQPQ-OAQYLSRUSA-N 2 0 384.568 3.168 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000176628506 1428383998 /nfs/dbraw/zinc/38/39/98/1428383998.db2.gz BGAHIBQDHQARIK-YADHBBJMSA-N 2 0 386.584 3.414 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000067773755 1409226972 /nfs/dbraw/zinc/22/69/72/1409226972.db2.gz JXHGJFPKEBFLJZ-QFIPXVFZSA-N 2 0 384.568 3.168 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000068231668 1409336293 /nfs/dbraw/zinc/33/62/93/1409336293.db2.gz DWDCITIPDYTEOU-QFIPXVFZSA-N 2 0 380.536 3.460 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068256467 1409342258 /nfs/dbraw/zinc/34/22/58/1409342258.db2.gz FBNQSYLEYRTEGV-LJQANCHMSA-N 2 0 375.532 3.274 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c(C)c2)CC1 ZINC000068261224 1409344304 /nfs/dbraw/zinc/34/43/04/1409344304.db2.gz DUEOFIQGCPIWSJ-UHFFFAOYSA-N 2 0 380.536 3.451 20 0 GGADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000068424030 1409398250 /nfs/dbraw/zinc/39/82/50/1409398250.db2.gz NENUDSIWBDKUQA-UHFFFAOYSA-N 2 0 388.600 3.449 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000176677217 1428402046 /nfs/dbraw/zinc/40/20/46/1428402046.db2.gz ZHCONXDWOOVUMD-UHFFFAOYSA-N 2 0 387.524 3.114 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccccc1 ZINC000176681514 1428404289 /nfs/dbraw/zinc/40/42/89/1428404289.db2.gz UHVPAFMHJIAQNZ-NRFANRHFSA-N 2 0 375.557 3.075 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584954 1409445680 /nfs/dbraw/zinc/44/56/80/1409445680.db2.gz ZSLYOZZIYCUYAE-RBUKOAKNSA-N 2 0 378.948 3.040 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000068777512 1409490501 /nfs/dbraw/zinc/49/05/01/1409490501.db2.gz ROFYLXWJZUZLSZ-HXUWFJFHSA-N 2 0 397.485 3.384 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000068840340 1409505359 /nfs/dbraw/zinc/50/53/59/1409505359.db2.gz OWSHTTUOYZVVQP-UHFFFAOYSA-N 2 0 391.519 3.482 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068871666 1409512580 /nfs/dbraw/zinc/51/25/80/1409512580.db2.gz LYGYJXQUSKSTDZ-FQEVSTJZSA-N 2 0 388.556 3.370 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(F)c1 ZINC000068887318 1409516269 /nfs/dbraw/zinc/51/62/69/1409516269.db2.gz JUVPJDKRQGBMGA-NRFANRHFSA-N 2 0 390.547 3.382 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000069045511 1409552586 /nfs/dbraw/zinc/55/25/86/1409552586.db2.gz XKMVKCYGBWNWNX-VQTJNVASSA-N 2 0 375.532 3.274 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000069047619 1409553521 /nfs/dbraw/zinc/55/35/21/1409553521.db2.gz DEKAPLITTMRABB-IBGZPJMESA-N 2 0 375.532 3.371 20 0 GGADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000069160368 1409577442 /nfs/dbraw/zinc/57/74/42/1409577442.db2.gz GEWJLUSXUQVZNH-KRWDZBQOSA-N 2 0 384.524 3.070 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000069732906 1409686157 /nfs/dbraw/zinc/68/61/57/1409686157.db2.gz ZLYGFTCSNVHUFF-UHFFFAOYSA-N 2 0 392.975 3.430 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000069821960 1409707878 /nfs/dbraw/zinc/70/78/78/1409707878.db2.gz XUZLMSPQFZUUOD-UHFFFAOYSA-N 2 0 378.586 3.086 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-n3cncn3)cc2)C[C@@H](C)O1 ZINC000069833384 1409711670 /nfs/dbraw/zinc/71/16/70/1409711670.db2.gz KPMKGDJYZZOHLR-RTBURBONSA-N 2 0 391.519 3.166 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000071912890 1409830099 /nfs/dbraw/zinc/83/00/99/1409830099.db2.gz HDMAENPKYIATKX-FQEVSTJZSA-N 2 0 384.524 3.368 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000072036124 1409839612 /nfs/dbraw/zinc/83/96/12/1409839612.db2.gz YALKYBVVHIAENC-HXUWFJFHSA-N 2 0 386.584 3.462 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072731600 1409852987 /nfs/dbraw/zinc/85/29/87/1409852987.db2.gz VQMGFALCVRFATA-NRFANRHFSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000073108451 1409858330 /nfs/dbraw/zinc/85/83/30/1409858330.db2.gz JTVGSYWTQCPKCY-UHFFFAOYSA-N 2 0 375.463 3.230 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536471 1409862002 /nfs/dbraw/zinc/86/20/02/1409862002.db2.gz JXGZGGIVGYVPPI-QFIPXVFZSA-N 2 0 386.584 3.416 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000073620017 1409863185 /nfs/dbraw/zinc/86/31/85/1409863185.db2.gz YSAZSLMUYBRURE-JOCHJYFZSA-N 2 0 386.584 3.475 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073675814 1409864312 /nfs/dbraw/zinc/86/43/12/1409864312.db2.gz SKXZJLCIQQMONE-JOCHJYFZSA-N 2 0 386.584 3.414 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000073722102 1409864623 /nfs/dbraw/zinc/86/46/23/1409864623.db2.gz IFLDEXKAFDSPLK-LJQANCHMSA-N 2 0 386.584 3.197 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000073788444 1409865679 /nfs/dbraw/zinc/86/56/79/1409865679.db2.gz PCKODLNPXHAYAN-IFMALSPDSA-N 2 0 386.584 3.272 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000073903372 1409867227 /nfs/dbraw/zinc/86/72/27/1409867227.db2.gz VVFBAXRLRFNGEK-VXKWHMMOSA-N 2 0 386.584 3.414 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000073981036 1409868119 /nfs/dbraw/zinc/86/81/19/1409868119.db2.gz DVPYZLUPUNHYJL-MOPGFXCFSA-N 2 0 376.545 3.241 20 0 GGADRP CC(C)[NH+](CCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(C)C ZINC000074331056 1409871530 /nfs/dbraw/zinc/87/15/30/1409871530.db2.gz MDIVNPFHQNKGEG-UHFFFAOYSA-N 2 0 377.598 3.474 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000074847147 1409877022 /nfs/dbraw/zinc/87/70/22/1409877022.db2.gz DAAQYQYPDPWZJE-JOCHJYFZSA-N 2 0 386.584 3.413 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000074845294 1409877203 /nfs/dbraw/zinc/87/72/03/1409877203.db2.gz DTWWRGRQYJXMHG-FQEVSTJZSA-N 2 0 384.568 3.156 20 0 GGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[NH+](C)C)cc1 ZINC000074833173 1409877279 /nfs/dbraw/zinc/87/72/79/1409877279.db2.gz GMTJJQWYKGQYOL-IFMALSPDSA-N 2 0 386.584 3.225 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074849378 1409877491 /nfs/dbraw/zinc/87/74/91/1409877491.db2.gz CAVYMQKNQDFQLQ-JOCHJYFZSA-N 2 0 384.568 3.156 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074854475 1409877527 /nfs/dbraw/zinc/87/75/27/1409877527.db2.gz UELBUIZLSVYVSI-FCHUYYIVSA-N 2 0 384.568 3.024 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074854478 1409877604 /nfs/dbraw/zinc/87/76/04/1409877604.db2.gz UELBUIZLSVYVSI-FGZHOGPDSA-N 2 0 384.568 3.024 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)N1CC[NH+](C)CC1 ZINC000075762904 1409882549 /nfs/dbraw/zinc/88/25/49/1409882549.db2.gz ZIMFTZWIOTYIAI-HSZRJFAPSA-N 2 0 382.552 3.022 20 0 GGADRP COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC(C)C ZINC000075763084 1409883104 /nfs/dbraw/zinc/88/31/04/1409883104.db2.gz LQQWCHKXYHOPED-FQEVSTJZSA-N 2 0 377.573 3.092 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)N1CC[NH+](C)CC1 ZINC000075762927 1409883247 /nfs/dbraw/zinc/88/32/47/1409883247.db2.gz SRGMULYBSSTJCM-JOCHJYFZSA-N 2 0 382.552 3.022 20 0 GGADRP Cn1c2ccccc2c(Cl)c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000076487299 1409888900 /nfs/dbraw/zinc/88/89/00/1409888900.db2.gz TUGSZGFMOUNKCB-UHFFFAOYSA-N 2 0 378.948 3.177 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000077763970 1409899760 /nfs/dbraw/zinc/89/97/60/1409899760.db2.gz ORKBTUQTXDBAPG-DENIHFKCSA-N 2 0 384.568 3.441 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000077811148 1409901902 /nfs/dbraw/zinc/90/19/02/1409901902.db2.gz UNAPDHMOCNOJBK-IRLDBZIGSA-N 2 0 386.584 3.413 20 0 GGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(SC)cc1OC ZINC000078052189 1409907478 /nfs/dbraw/zinc/90/74/78/1409907478.db2.gz LZXBNRWQKNMAQT-HZPDHXFCSA-N 2 0 382.570 3.405 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000078597436 1409927599 /nfs/dbraw/zinc/92/75/99/1409927599.db2.gz BZPPTLWGBKZQSG-UHFFFAOYSA-N 2 0 380.536 3.343 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000078611478 1409929982 /nfs/dbraw/zinc/92/99/82/1409929982.db2.gz FCODQFQJESUMSZ-SFHVURJKSA-N 2 0 376.545 3.131 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000078714500 1409933235 /nfs/dbraw/zinc/93/32/35/1409933235.db2.gz QEKKYRFRHFWYEB-NQIIRXRSSA-N 2 0 375.557 3.459 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000079267301 1409963476 /nfs/dbraw/zinc/96/34/76/1409963476.db2.gz OXIDZNCAYIGBSU-LMMKCTJWSA-N 2 0 380.602 3.408 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394072 1409973552 /nfs/dbraw/zinc/97/35/52/1409973552.db2.gz WHJWSXIDGVBIHE-NRFANRHFSA-N 2 0 386.584 3.416 20 0 GGADRP CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079493580 1409978587 /nfs/dbraw/zinc/97/85/87/1409978587.db2.gz OWFUPBYGVDQHNG-UHFFFAOYSA-N 2 0 384.568 3.093 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000079599532 1409982309 /nfs/dbraw/zinc/98/23/09/1409982309.db2.gz QBPVICJSMNNDOO-GOSISDBHSA-N 2 0 378.542 3.026 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000079572645 1409982957 /nfs/dbraw/zinc/98/29/57/1409982957.db2.gz BFCGYZOPVQRYEK-HXUWFJFHSA-N 2 0 378.536 3.190 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000079652125 1409986076 /nfs/dbraw/zinc/98/60/76/1409986076.db2.gz QLUDQKWJUTWEIF-HXUWFJFHSA-N 2 0 378.536 3.190 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000079849660 1409991273 /nfs/dbraw/zinc/99/12/73/1409991273.db2.gz GCYUHPVLAZQGIK-LJQANCHMSA-N 2 0 376.545 3.322 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079953425 1409993226 /nfs/dbraw/zinc/99/32/26/1409993226.db2.gz SGDAADNDZOWLFD-QUCCMNQESA-N 2 0 377.598 3.231 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079953424 1409993921 /nfs/dbraw/zinc/99/39/21/1409993921.db2.gz SGDAADNDZOWLFD-UYAOXDASSA-N 2 0 377.598 3.231 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000079941967 1409994216 /nfs/dbraw/zinc/99/42/16/1409994216.db2.gz WYTWDTKUTSEEHN-SFHVURJKSA-N 2 0 380.602 3.408 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000079988213 1409996380 /nfs/dbraw/zinc/99/63/80/1409996380.db2.gz DWKPYTZJCGHVDS-UHFFFAOYSA-N 2 0 386.584 3.475 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079982771 1409996981 /nfs/dbraw/zinc/99/69/81/1409996981.db2.gz VYHACJIZMCNCIT-NRFANRHFSA-N 2 0 386.584 3.339 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080064782 1409999575 /nfs/dbraw/zinc/99/95/75/1409999575.db2.gz JLEHVGQXXOWNEX-DENIHFKCSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165719 1410001888 /nfs/dbraw/zinc/00/18/88/1410001888.db2.gz SZOUCCJXDPNBQM-CTNGQTDRSA-N 2 0 384.568 3.309 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165710 1410002214 /nfs/dbraw/zinc/00/22/14/1410002214.db2.gz SZOUCCJXDPNBQM-TZIWHRDSSA-N 2 0 384.568 3.309 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000080215988 1410003286 /nfs/dbraw/zinc/00/32/86/1410003286.db2.gz OPGCBJYVPYECPX-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081631913 1410023203 /nfs/dbraw/zinc/02/32/03/1410023203.db2.gz FOVYGMDFBHKPDO-INIZCTEOSA-N 2 0 379.932 3.341 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083173091 1410027763 /nfs/dbraw/zinc/02/77/63/1410027763.db2.gz CEXYCZMOYNVWOR-DLBZAZTESA-N 2 0 376.520 3.323 20 0 GGADRP O=C(NC1CCCCC1)N1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000089639850 1410055406 /nfs/dbraw/zinc/05/54/06/1410055406.db2.gz MATNFFOCSTYWMH-UHFFFAOYSA-N 2 0 376.589 3.490 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000089935802 1410059347 /nfs/dbraw/zinc/05/93/47/1410059347.db2.gz ZUJFTXKNYDBQEN-FXAWDEMLSA-N 2 0 375.582 3.115 20 0 GGADRP Cc1ccc(C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CC2)cc1 ZINC000090038870 1410061213 /nfs/dbraw/zinc/06/12/13/1410061213.db2.gz SLTWZUBFWDZWHW-QHCPKHFHSA-N 2 0 379.548 3.397 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526321 1410064208 /nfs/dbraw/zinc/06/42/08/1410064208.db2.gz FBNLTXAIYNSYTF-AHRSYUTCSA-N 2 0 376.541 3.431 20 0 GGADRP COCc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525208 1410064305 /nfs/dbraw/zinc/06/43/05/1410064305.db2.gz CMEBJXYCSUCIHD-NDXORKPFSA-N 2 0 376.541 3.260 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090585709 1410064833 /nfs/dbraw/zinc/06/48/33/1410064833.db2.gz GDFANFXKHNAJDX-ZWKOTPCHSA-N 2 0 381.586 3.467 20 0 GGADRP C[C@@H]1C[C@H](NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090937359 1410067913 /nfs/dbraw/zinc/06/79/13/1410067913.db2.gz GNIZOYZVMUNLIP-DENIHFKCSA-N 2 0 382.552 3.165 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091320767 1410072284 /nfs/dbraw/zinc/07/22/84/1410072284.db2.gz UMFBMKOCBCJCNJ-JKSUJKDBSA-N 2 0 377.964 3.151 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)N1CC[NH+](C)CC1 ZINC000091283347 1410072705 /nfs/dbraw/zinc/07/27/05/1410072705.db2.gz RRKMZQQHAQPHEJ-BEFAXECRSA-N 2 0 377.964 3.149 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091285175 1410072771 /nfs/dbraw/zinc/07/27/71/1410072771.db2.gz LOMGFZITQJMRKG-INIZCTEOSA-N 2 0 377.964 3.295 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333141 1410072833 /nfs/dbraw/zinc/07/28/33/1410072833.db2.gz BYPPAJJGSKAMFB-OAHLLOKOSA-N 2 0 377.964 3.151 20 0 GGADRP COC(=O)CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000091922861 1410092180 /nfs/dbraw/zinc/09/21/80/1410092180.db2.gz IJANZGVFFBXSTH-UHFFFAOYSA-N 2 0 375.557 3.238 20 0 GGADRP CN(C)[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccco1 ZINC000092354736 1410141325 /nfs/dbraw/zinc/14/13/25/1410141325.db2.gz CBEIUXQWZDLAKC-LJQANCHMSA-N 2 0 376.932 3.077 20 0 GGADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092400064 1410150411 /nfs/dbraw/zinc/15/04/11/1410150411.db2.gz QHSSCPYOIXFYIG-QUCCMNQESA-N 2 0 375.557 3.144 20 0 GGADRP C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416305 1410155737 /nfs/dbraw/zinc/15/57/37/1410155737.db2.gz KFVZMQRHIXBYHE-BEFAXECRSA-N 2 0 377.916 3.287 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000092427092 1410157251 /nfs/dbraw/zinc/15/72/51/1410157251.db2.gz JDMWAKACTPMLIQ-UHFFFAOYSA-N 2 0 392.613 3.327 20 0 GGADRP c1csc(N2CCC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)n1 ZINC000092483141 1410161380 /nfs/dbraw/zinc/16/13/80/1410161380.db2.gz VNXIVNKKCPPCSI-UHFFFAOYSA-N 2 0 386.565 3.330 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000092587567 1410176298 /nfs/dbraw/zinc/17/62/98/1410176298.db2.gz PDGCIOQZTQECJA-QZTJIDSGSA-N 2 0 398.551 3.407 20 0 GGADRP COCCCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587587 1410176503 /nfs/dbraw/zinc/17/65/03/1410176503.db2.gz FNJTYFHDZMGKAJ-PMACEKPBSA-N 2 0 390.568 3.423 20 0 GGADRP COCCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587426 1410176623 /nfs/dbraw/zinc/17/66/23/1410176623.db2.gz YBOJEDIMUHDNGB-OALUTQOASA-N 2 0 376.541 3.033 20 0 GGADRP COCCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587096 1410176651 /nfs/dbraw/zinc/17/66/51/1410176651.db2.gz YZEBHIDOXGYEQP-RTBURBONSA-N 2 0 376.541 3.033 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000092587578 1410176998 /nfs/dbraw/zinc/17/69/98/1410176998.db2.gz PAHHBNJSLBLVBT-ROUUACIJSA-N 2 0 386.515 3.333 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000092615641 1410180309 /nfs/dbraw/zinc/18/03/09/1410180309.db2.gz SEEGBWAAFFFHKM-UHFFFAOYSA-N 2 0 389.540 3.444 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000092615872 1410180471 /nfs/dbraw/zinc/18/04/71/1410180471.db2.gz QJLPZJXEMCRZBK-UHFFFAOYSA-N 2 0 389.927 3.490 20 0 GGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000092812798 1410203340 /nfs/dbraw/zinc/20/33/40/1410203340.db2.gz QCNWLBZKYRSXMQ-HXUWFJFHSA-N 2 0 379.552 3.158 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(-n2ccnc2)nc1 ZINC000092821307 1410204461 /nfs/dbraw/zinc/20/44/61/1410204461.db2.gz RLGGLJHOBSOCSJ-UHFFFAOYSA-N 2 0 376.508 3.401 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000093064455 1410220102 /nfs/dbraw/zinc/22/01/02/1410220102.db2.gz JKIDBCLJXAPBHE-JOCHJYFZSA-N 2 0 378.520 3.079 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(OCCC(C)C)c3)C2)CC1 ZINC000093133100 1410223880 /nfs/dbraw/zinc/22/38/80/1410223880.db2.gz DQCNUHFRKMLVLG-OAQYLSRUSA-N 2 0 389.584 3.332 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccc3)C2)CC1 ZINC000093133036 1410224224 /nfs/dbraw/zinc/22/42/24/1410224224.db2.gz MFMDNRJPDUJZBW-HSZRJFAPSA-N 2 0 379.548 3.477 20 0 GGADRP CCCOc1c(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cccc1OCC ZINC000093133022 1410224369 /nfs/dbraw/zinc/22/43/69/1410224369.db2.gz MKPIZNSCXMFTDV-FQEVSTJZSA-N 2 0 375.557 3.086 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093281037 1410229401 /nfs/dbraw/zinc/22/94/01/1410229401.db2.gz UXORWSCXYIHZOH-IBGZPJMESA-N 2 0 375.557 3.001 20 0 GGADRP COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000093415833 1410244475 /nfs/dbraw/zinc/24/44/75/1410244475.db2.gz HRASEYAEPWAVRX-HSZRJFAPSA-N 2 0 384.520 3.335 20 0 GGADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688566 1410259980 /nfs/dbraw/zinc/25/99/80/1410259980.db2.gz FDGTXEUSNDDROQ-UHFFFAOYSA-N 2 0 378.561 3.005 20 0 GGADRP CCOC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000093844440 1410274947 /nfs/dbraw/zinc/27/49/47/1410274947.db2.gz VMFJDVBXXRTYOM-IAGOWNOFSA-N 2 0 378.513 3.168 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000093844295 1410275179 /nfs/dbraw/zinc/27/51/79/1410275179.db2.gz VJCSDPNNTUFWAT-BGYRXZFFSA-N 2 0 386.584 3.393 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000093844296 1410275402 /nfs/dbraw/zinc/27/54/02/1410275402.db2.gz VJCSDPNNTUFWAT-PMACEKPBSA-N 2 0 386.584 3.393 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(-c2cccs2)n1 ZINC000093967395 1410289961 /nfs/dbraw/zinc/28/99/61/1410289961.db2.gz JCWLONLCFXIBAN-UHFFFAOYSA-N 2 0 396.560 3.395 20 0 GGADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627910 1410335214 /nfs/dbraw/zinc/33/52/14/1410335214.db2.gz KPLQFZSDJZBFLF-NRFANRHFSA-N 2 0 392.547 3.289 20 0 GGADRP CCCCn1c(=S)n(CN2CC[NH+](CC(C)C)CC2)nc1[C@@H](CC)[NH+](C)C ZINC000096965492 1410340288 /nfs/dbraw/zinc/34/02/88/1410340288.db2.gz USGAOZIORAUBSE-GOSISDBHSA-N 2 0 396.649 3.458 20 0 GGADRP Cc1cnc(NC[C@@H](c2ccco2)[NH+](C)C)nc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000176812985 1428476408 /nfs/dbraw/zinc/47/64/08/1428476408.db2.gz VIAACACQJGCTDN-IRXDYDNUSA-N 2 0 398.511 3.401 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000097357164 1410365815 /nfs/dbraw/zinc/36/58/15/1410365815.db2.gz RCHJRBHKETWSBC-RXVVDRJESA-N 2 0 388.556 3.006 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337197 1410365920 /nfs/dbraw/zinc/36/59/20/1410365920.db2.gz VJONCTFWQRWGNJ-FCHUYYIVSA-N 2 0 380.536 3.426 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000097357747 1410366073 /nfs/dbraw/zinc/36/60/73/1410366073.db2.gz KEQDYZGGIQGCEU-PKTZIBPZSA-N 2 0 394.563 3.296 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000097395151 1410368746 /nfs/dbraw/zinc/36/87/46/1410368746.db2.gz AQZSZWMHTZMWCK-RZUBCFFCSA-N 2 0 388.600 3.217 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000101518565 1410443838 /nfs/dbraw/zinc/44/38/38/1410443838.db2.gz CZIBRQLSMCMPKE-ARKBFRDHSA-N 2 0 380.536 3.123 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1nc2ccccc2s1 ZINC000101518562 1410443853 /nfs/dbraw/zinc/44/38/53/1410443853.db2.gz HKXFJHMECMVVMJ-FMQWLBJXSA-N 2 0 386.565 3.184 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000101518564 1410444129 /nfs/dbraw/zinc/44/41/29/1410444129.db2.gz CZIBRQLSMCMPKE-QZMUEMGWSA-N 2 0 380.536 3.123 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101592286 1410474642 /nfs/dbraw/zinc/47/46/42/1410474642.db2.gz TUVQQNILLJNHMP-FQEVSTJZSA-N 2 0 395.595 3.341 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nc2ccccc2s1 ZINC000101602691 1410475434 /nfs/dbraw/zinc/47/54/34/1410475434.db2.gz KANFOZJYJSDSNE-HNNXBMFYSA-N 2 0 375.542 3.176 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccco2)nc1C ZINC000101868558 1410511357 /nfs/dbraw/zinc/51/13/57/1410511357.db2.gz XPNSHVPRFMEEGC-SFHVURJKSA-N 2 0 384.524 3.138 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000101995899 1410539795 /nfs/dbraw/zinc/53/97/95/1410539795.db2.gz UGAITTBPUYHERP-HXUWFJFHSA-N 2 0 390.959 3.185 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC(C)CC1 ZINC000102005831 1410541644 /nfs/dbraw/zinc/54/16/44/1410541644.db2.gz PEYXQLQRBTWMKX-RBUKOAKNSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC(C)CC1 ZINC000102005827 1410541775 /nfs/dbraw/zinc/54/17/75/1410541775.db2.gz PEYXQLQRBTWMKX-MOPGFXCFSA-N 2 0 392.613 3.380 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000102037482 1410548390 /nfs/dbraw/zinc/54/83/90/1410548390.db2.gz RBADEIYWIYYRCP-IBGZPJMESA-N 2 0 376.545 3.289 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000102039006 1410549574 /nfs/dbraw/zinc/54/95/74/1410549574.db2.gz QUUGKQKISQBIBN-UXHICEINSA-N 2 0 384.524 3.327 20 0 GGADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102470984 1410635825 /nfs/dbraw/zinc/63/58/25/1410635825.db2.gz MADQAOUZJCJWRT-KRWDZBQOSA-N 2 0 398.526 3.130 20 0 GGADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102470988 1410637723 /nfs/dbraw/zinc/63/77/23/1410637723.db2.gz MADQAOUZJCJWRT-QGZVFWFLSA-N 2 0 398.526 3.130 20 0 GGADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000102542572 1410647784 /nfs/dbraw/zinc/64/77/84/1410647784.db2.gz AUQSTWRPYODEML-UHFFFAOYSA-N 2 0 396.366 3.215 20 0 GGADRP COc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000102542065 1410648324 /nfs/dbraw/zinc/64/83/24/1410648324.db2.gz XXAQBHHUFHPCJL-UHFFFAOYSA-N 2 0 383.536 3.001 20 0 GGADRP C[NH+](C)CCN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000176875106 1428508259 /nfs/dbraw/zinc/50/82/59/1428508259.db2.gz VTAMAMXRIYXFMK-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)ccn2)CC1 ZINC000102780534 1410747531 /nfs/dbraw/zinc/74/75/31/1410747531.db2.gz QZBZDDGCRITUFD-UHFFFAOYSA-N 2 0 380.414 3.022 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c1 ZINC000102781292 1410749533 /nfs/dbraw/zinc/74/95/33/1410749533.db2.gz WZZVGAKPQXPBKK-UHFFFAOYSA-N 2 0 395.425 3.166 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000102795357 1410760466 /nfs/dbraw/zinc/76/04/66/1410760466.db2.gz VPEBKZFENYZTRY-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000102846093 1410800063 /nfs/dbraw/zinc/80/00/63/1410800063.db2.gz CVFSFFGNZYQLNV-HSZRJFAPSA-N 2 0 392.547 3.085 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)c1ccccc1 ZINC000103205129 1410837315 /nfs/dbraw/zinc/83/73/15/1410837315.db2.gz DKSMWZIZTGSMAE-GMAHTHKFSA-N 2 0 379.548 3.360 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103268350 1410841955 /nfs/dbraw/zinc/84/19/55/1410841955.db2.gz INLPQEWKXLUOTP-HSZRJFAPSA-N 2 0 394.563 3.112 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000103291051 1410842952 /nfs/dbraw/zinc/84/29/52/1410842952.db2.gz DVXKLQSLDRZQDD-IBGZPJMESA-N 2 0 390.597 3.131 20 0 GGADRP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000103298452 1410843978 /nfs/dbraw/zinc/84/39/78/1410843978.db2.gz GAUAQTMSXURMML-NRFANRHFSA-N 2 0 386.584 3.115 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000103312853 1410846324 /nfs/dbraw/zinc/84/63/24/1410846324.db2.gz WWZALAPIFWFERU-FQEVSTJZSA-N 2 0 378.605 3.404 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103319449 1410846855 /nfs/dbraw/zinc/84/68/55/1410846855.db2.gz NFPUEYOEIKSDDZ-NRFANRHFSA-N 2 0 386.584 3.067 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103320917 1410846895 /nfs/dbraw/zinc/84/68/95/1410846895.db2.gz KTISVKVPBKCXTK-UHFFFAOYSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000103511608 1410865209 /nfs/dbraw/zinc/86/52/09/1410865209.db2.gz NYJVCFDORLMMKE-LJQANCHMSA-N 2 0 386.584 3.402 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000103599184 1410868318 /nfs/dbraw/zinc/86/83/18/1410868318.db2.gz KRCRFUDEWCJLPY-UHFFFAOYSA-N 2 0 392.975 3.288 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000103603096 1410868336 /nfs/dbraw/zinc/86/83/36/1410868336.db2.gz WMNRBJJZFJMDQN-FQEVSTJZSA-N 2 0 392.975 3.460 20 0 GGADRP COc1ccc(NC(=[NH2+])NCc2ccccc2OCC[NH+](C)C)cc1Cl ZINC000104180693 1410886273 /nfs/dbraw/zinc/88/62/73/1410886273.db2.gz JVEHTBRTBBXCTD-UHFFFAOYSA-N 2 0 376.888 3.216 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000104213896 1410887370 /nfs/dbraw/zinc/88/73/70/1410887370.db2.gz FSHFLJYJPIYKSK-IBGZPJMESA-N 2 0 385.474 3.145 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105077417 1411024770 /nfs/dbraw/zinc/02/47/70/1411024770.db2.gz YKUSACHRSITCQO-UXHICEINSA-N 2 0 388.556 3.467 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000105083016 1411026063 /nfs/dbraw/zinc/02/60/63/1411026063.db2.gz MOCVYDMZNVDLIA-UXHICEINSA-N 2 0 376.520 3.088 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000105093674 1411027478 /nfs/dbraw/zinc/02/74/78/1411027478.db2.gz IMLOVXFULHAINH-OAHLLOKOSA-N 2 0 378.948 3.086 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105121874 1411031625 /nfs/dbraw/zinc/03/16/25/1411031625.db2.gz HKULTKGIDNPOGO-OALUTQOASA-N 2 0 386.584 3.306 20 0 GGADRP CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCc2ccccc2C1 ZINC000105126186 1411031777 /nfs/dbraw/zinc/03/17/77/1411031777.db2.gz WBARUAPVIRULDL-SIKLNZKXSA-N 2 0 386.584 3.243 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105121878 1411032020 /nfs/dbraw/zinc/03/20/20/1411032020.db2.gz HKULTKGIDNPOGO-RTBURBONSA-N 2 0 386.584 3.306 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000105166107 1411037698 /nfs/dbraw/zinc/03/76/98/1411037698.db2.gz PDLPORDWBHJLRS-VQTJNVASSA-N 2 0 376.520 3.088 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000105165740 1411037936 /nfs/dbraw/zinc/03/79/36/1411037936.db2.gz PGPDXNQSVYDVJJ-FXAWDEMLSA-N 2 0 388.556 3.004 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000105166097 1411038006 /nfs/dbraw/zinc/03/80/06/1411038006.db2.gz PDLPORDWBHJLRS-WOJBJXKFSA-N 2 0 376.520 3.088 20 0 GGADRP CC(C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000105208265 1411042630 /nfs/dbraw/zinc/04/26/30/1411042630.db2.gz WUMIABVSTDEEPE-FQEVSTJZSA-N 2 0 392.613 3.380 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000105222229 1411043350 /nfs/dbraw/zinc/04/33/50/1411043350.db2.gz YKXUGNSYCQEOAW-VQTJNVASSA-N 2 0 388.556 3.385 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000105222223 1411043367 /nfs/dbraw/zinc/04/33/67/1411043367.db2.gz YKXUGNSYCQEOAW-WOJBJXKFSA-N 2 0 388.556 3.385 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000105222231 1411043978 /nfs/dbraw/zinc/04/39/78/1411043978.db2.gz YKXUGNSYCQEOAW-PMACEKPBSA-N 2 0 388.556 3.385 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000105241562 1411046704 /nfs/dbraw/zinc/04/67/04/1411046704.db2.gz QPWRJDBPRBGVSE-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105244883 1411046736 /nfs/dbraw/zinc/04/67/36/1411046736.db2.gz HBFIYVRBGDEPPN-XZOQPEGZSA-N 2 0 398.595 3.211 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000105440783 1411066920 /nfs/dbraw/zinc/06/69/20/1411066920.db2.gz YWLCGBYDODISHI-INIZCTEOSA-N 2 0 398.389 3.211 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000105441906 1411067017 /nfs/dbraw/zinc/06/70/17/1411067017.db2.gz VCJCMPXEVXYPOY-MRXNPFEDSA-N 2 0 375.948 3.093 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000105442104 1411067453 /nfs/dbraw/zinc/06/74/53/1411067453.db2.gz IRQXXKCTIJPRDH-QGZVFWFLSA-N 2 0 389.975 3.197 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000105451312 1411067518 /nfs/dbraw/zinc/06/75/18/1411067518.db2.gz PELFIWRSNDQDGN-UHFFFAOYSA-N 2 0 376.545 3.312 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1OC ZINC000105442372 1411067592 /nfs/dbraw/zinc/06/75/92/1411067592.db2.gz LYKOTVKEIPNVMZ-INIZCTEOSA-N 2 0 383.964 3.111 20 0 GGADRP COc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000105465994 1411068762 /nfs/dbraw/zinc/06/87/62/1411068762.db2.gz CHJNGLDSXZCPAT-SFHVURJKSA-N 2 0 383.536 3.096 20 0 GGADRP C[C@H](C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)N1CC[NH+](C)CC1 ZINC000105465704 1411069070 /nfs/dbraw/zinc/06/90/70/1411069070.db2.gz YLVPJNMIFIZQMN-MRXNPFEDSA-N 2 0 375.463 3.483 20 0 GGADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000105466703 1411069713 /nfs/dbraw/zinc/06/97/13/1411069713.db2.gz VHDKHYROFGONMG-HXUWFJFHSA-N 2 0 389.547 3.265 20 0 GGADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000105466700 1411069874 /nfs/dbraw/zinc/06/98/74/1411069874.db2.gz VHDKHYROFGONMG-FQEVSTJZSA-N 2 0 389.547 3.265 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OCCCO4)cc2)CC1 ZINC000105495472 1411072332 /nfs/dbraw/zinc/07/23/32/1411072332.db2.gz JEGHOVOWJLTKBP-UHFFFAOYSA-N 2 0 382.504 3.094 20 0 GGADRP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105495627 1411072785 /nfs/dbraw/zinc/07/27/85/1411072785.db2.gz XVBDWZJFNDQCNL-UHFFFAOYSA-N 2 0 390.531 3.427 20 0 GGADRP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)c1cccc2ccccc21 ZINC000106126302 1411172766 /nfs/dbraw/zinc/17/27/66/1411172766.db2.gz YSQSMXVWFFZWFB-LJQANCHMSA-N 2 0 397.563 3.217 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cc2)c1 ZINC000106486605 1411225940 /nfs/dbraw/zinc/22/59/40/1411225940.db2.gz TWCXDEHAQZEGDM-GOSISDBHSA-N 2 0 399.535 3.222 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522665 1411230392 /nfs/dbraw/zinc/23/03/92/1411230392.db2.gz QXLLWVWUELMYOD-OAQYLSRUSA-N 2 0 384.568 3.489 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000106584688 1411257614 /nfs/dbraw/zinc/25/76/14/1411257614.db2.gz ZQZBMLWINBTCFF-IBGZPJMESA-N 2 0 392.975 3.288 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000107368276 1411365915 /nfs/dbraw/zinc/36/59/15/1411365915.db2.gz PXQMLXSLSZRTSV-GOSISDBHSA-N 2 0 385.474 3.186 20 0 GGADRP CC1CC[NH+](CCCNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107385184 1411369500 /nfs/dbraw/zinc/36/95/00/1411369500.db2.gz FXSHUOUWKVEWKJ-UHFFFAOYSA-N 2 0 376.545 3.261 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529541 1411385122 /nfs/dbraw/zinc/38/51/22/1411385122.db2.gz MUORBMGYCAWBLP-OAQYLSRUSA-N 2 0 387.593 3.326 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000107698199 1411399174 /nfs/dbraw/zinc/39/91/74/1411399174.db2.gz SSCDYROUZAQROP-AQNXPRMDSA-N 2 0 390.572 3.474 20 0 GGADRP CC[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000107966748 1411430095 /nfs/dbraw/zinc/43/00/95/1411430095.db2.gz WAGZKJJGCMYGFT-OAQYLSRUSA-N 2 0 384.568 3.093 20 0 GGADRP CC[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000107966745 1411430112 /nfs/dbraw/zinc/43/01/12/1411430112.db2.gz WAGZKJJGCMYGFT-NRFANRHFSA-N 2 0 384.568 3.093 20 0 GGADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000177043877 1428566041 /nfs/dbraw/zinc/56/60/41/1428566041.db2.gz NGVMQLHCFNIXQR-UHFFFAOYSA-N 2 0 399.457 3.078 20 0 GGADRP COc1cc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000177052228 1428569992 /nfs/dbraw/zinc/56/99/92/1428569992.db2.gz AEBSVTFQLVMXNN-AATRIKPKSA-N 2 0 386.492 3.235 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(F)c(F)c3)c2)C1 ZINC000108420925 1411495113 /nfs/dbraw/zinc/49/51/13/1411495113.db2.gz OAQBDENIXYTDAM-KRWDZBQOSA-N 2 0 391.437 3.091 20 0 GGADRP CCOc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420630 1411495753 /nfs/dbraw/zinc/49/57/53/1411495753.db2.gz FMQAFOJRQWBLPQ-NRFANRHFSA-N 2 0 381.520 3.072 20 0 GGADRP CC(C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420590 1411496273 /nfs/dbraw/zinc/49/62/73/1411496273.db2.gz ZPGLAGMPLJTUIB-JOCHJYFZSA-N 2 0 395.547 3.461 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc4ncccc4c3)c2)C1 ZINC000108420843 1411496393 /nfs/dbraw/zinc/49/63/93/1411496393.db2.gz MIBYQGOJBOCFRC-QFIPXVFZSA-N 2 0 388.515 3.222 20 0 GGADRP CC(C)Oc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420655 1411496793 /nfs/dbraw/zinc/49/67/93/1411496793.db2.gz ZZWAAVSUTHYKDZ-JOCHJYFZSA-N 2 0 395.547 3.461 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000108484857 1411516956 /nfs/dbraw/zinc/51/69/56/1411516956.db2.gz UNIFRGXXGNPGGL-MSOLQXFVSA-N 2 0 378.586 3.306 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000108541069 1411533230 /nfs/dbraw/zinc/53/32/30/1411533230.db2.gz FOTUHLZTWYQUPG-APWZRJJASA-N 2 0 380.964 3.364 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541059 1411533634 /nfs/dbraw/zinc/53/36/34/1411533634.db2.gz UYVUXMLQNIJLIP-QZTJIDSGSA-N 2 0 378.586 3.162 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000108541065 1411533771 /nfs/dbraw/zinc/53/37/71/1411533771.db2.gz FOTUHLZTWYQUPG-QFBILLFUSA-N 2 0 380.964 3.364 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108544944 1411535085 /nfs/dbraw/zinc/53/50/85/1411535085.db2.gz CYXMHMDFNBDLDE-FQEVSTJZSA-N 2 0 390.959 3.088 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000108588761 1411545005 /nfs/dbraw/zinc/54/50/05/1411545005.db2.gz LOUBICYSCTYMIE-IBGZPJMESA-N 2 0 380.536 3.009 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)c1 ZINC000108930325 1411641874 /nfs/dbraw/zinc/64/18/74/1411641874.db2.gz JZIAUWWPMDYUFU-YADHBBJMSA-N 2 0 381.520 3.079 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)c1 ZINC000108930322 1411641893 /nfs/dbraw/zinc/64/18/93/1411641893.db2.gz JZIAUWWPMDYUFU-VXKWHMMOSA-N 2 0 381.520 3.079 20 0 GGADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109014904 1411661497 /nfs/dbraw/zinc/66/14/97/1411661497.db2.gz XJUXHTDWBKZYLH-FYYLOGMGSA-N 2 0 395.522 3.428 20 0 GGADRP COc1cccc([C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+](C)C)c1 ZINC000109107937 1411684619 /nfs/dbraw/zinc/68/46/19/1411684619.db2.gz QZSLYCQGYMGGBA-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339903 1411744479 /nfs/dbraw/zinc/74/44/79/1411744479.db2.gz MUOVOAQYHMHEFD-IFMALSPDSA-N 2 0 383.511 3.457 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000109900340 1411817453 /nfs/dbraw/zinc/81/74/53/1411817453.db2.gz FRYBBSKZHZDDBG-FQEVSTJZSA-N 2 0 386.584 3.067 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000109903300 1411817678 /nfs/dbraw/zinc/81/76/78/1411817678.db2.gz VXHSVBDBVAVWFZ-HXUWFJFHSA-N 2 0 386.584 3.069 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000110073443 1411829668 /nfs/dbraw/zinc/82/96/68/1411829668.db2.gz XTRAQLYELYARPL-UHFFFAOYSA-N 2 0 376.545 3.261 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000110073613 1411829871 /nfs/dbraw/zinc/82/98/71/1411829871.db2.gz JIEJVRMEWSWQKU-UHFFFAOYSA-N 2 0 376.545 3.402 20 0 GGADRP CC(C)C[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110164281 1411835121 /nfs/dbraw/zinc/83/51/21/1411835121.db2.gz UDXFSLSCPXVVNU-HXUWFJFHSA-N 2 0 397.485 3.241 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000110745715 1411867743 /nfs/dbraw/zinc/86/77/43/1411867743.db2.gz HJNBLCQDLWLDOO-HSZRJFAPSA-N 2 0 394.563 3.008 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000111035683 1411883401 /nfs/dbraw/zinc/88/34/01/1411883401.db2.gz UGNBKAZTQZAAQY-YADHBBJMSA-N 2 0 383.536 3.497 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000111067033 1411885563 /nfs/dbraw/zinc/88/55/63/1411885563.db2.gz POCFDQJKXLWURI-HSZRJFAPSA-N 2 0 394.563 3.456 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000111100469 1411887006 /nfs/dbraw/zinc/88/70/06/1411887006.db2.gz ZZVJSBPHBBWMRC-OAQYLSRUSA-N 2 0 387.568 3.221 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111418874 1411948467 /nfs/dbraw/zinc/94/84/67/1411948467.db2.gz SUROXHHWLWZHEF-FQEVSTJZSA-N 2 0 394.563 3.471 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000111433708 1411952373 /nfs/dbraw/zinc/95/23/73/1411952373.db2.gz SWWGBCYUNHUWNJ-IBGZPJMESA-N 2 0 376.545 3.372 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000111433733 1411952946 /nfs/dbraw/zinc/95/29/46/1411952946.db2.gz TUJRDFNYEQWINL-AZUAARDMSA-N 2 0 384.524 3.236 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000111433731 1411953487 /nfs/dbraw/zinc/95/34/87/1411953487.db2.gz TUJRDFNYEQWINL-QUCCMNQESA-N 2 0 384.524 3.236 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000111482377 1411977657 /nfs/dbraw/zinc/97/76/57/1411977657.db2.gz DWOVWULKAOEVFL-ROUUACIJSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000111846018 1412037277 /nfs/dbraw/zinc/03/72/77/1412037277.db2.gz QTSXGNRGFPVAQG-QGZVFWFLSA-N 2 0 378.586 3.132 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112217188 1412094971 /nfs/dbraw/zinc/09/49/71/1412094971.db2.gz YFTVWLDCQVSYPO-UHFFFAOYSA-N 2 0 396.645 3.254 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000112631530 1412182217 /nfs/dbraw/zinc/18/22/17/1412182217.db2.gz UAYCQOJZJLDKTG-INIZCTEOSA-N 2 0 375.513 3.186 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000112631658 1412182724 /nfs/dbraw/zinc/18/27/24/1412182724.db2.gz WVUGYDLBGNIDRB-ROUUACIJSA-N 2 0 384.524 3.100 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000112633153 1412182750 /nfs/dbraw/zinc/18/27/50/1412182750.db2.gz JJMATECTZFRWGB-FQEVSTJZSA-N 2 0 396.535 3.362 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000112631532 1412182761 /nfs/dbraw/zinc/18/27/61/1412182761.db2.gz UAYCQOJZJLDKTG-MRXNPFEDSA-N 2 0 375.513 3.186 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000112709610 1412200844 /nfs/dbraw/zinc/20/08/44/1412200844.db2.gz VUZQHWLWNILJMI-INIZCTEOSA-N 2 0 375.891 3.303 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000112742909 1412208205 /nfs/dbraw/zinc/20/82/05/1412208205.db2.gz IGEXYISBVSYSRB-LJQANCHMSA-N 2 0 378.948 3.214 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000112749579 1412210435 /nfs/dbraw/zinc/21/04/35/1412210435.db2.gz IVOJWYHRUIDZLK-UHFFFAOYSA-N 2 0 392.975 3.289 20 0 GGADRP CN1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000177211419 1428634374 /nfs/dbraw/zinc/63/43/74/1428634374.db2.gz WIWJZQPCCAYJPE-UHFFFAOYSA-N 2 0 378.564 3.193 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113234735 1412279346 /nfs/dbraw/zinc/27/93/46/1412279346.db2.gz CJWLPPUXFXYUNM-PZJWPPBQSA-N 2 0 387.568 3.267 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220693 1428638537 /nfs/dbraw/zinc/63/85/37/1428638537.db2.gz KMOOGTYQMJAXMA-GOSISDBHSA-N 2 0 381.586 3.100 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000113321465 1412292191 /nfs/dbraw/zinc/29/21/91/1412292191.db2.gz MASIKQDHBLEZCC-UHFFFAOYSA-N 2 0 388.581 3.148 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CCOCC1)c1ccccc1 ZINC000113445754 1412306698 /nfs/dbraw/zinc/30/66/98/1412306698.db2.gz PVMKMVGPPNATOI-ZRNYENFQSA-N 2 0 387.568 3.264 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000113445752 1412306952 /nfs/dbraw/zinc/30/69/52/1412306952.db2.gz PVMKMVGPPNATOI-MUGJNUQGSA-N 2 0 387.568 3.264 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177226787 1428641155 /nfs/dbraw/zinc/64/11/55/1428641155.db2.gz PJUNNPNUKKSACW-UHFFFAOYSA-N 2 0 377.529 3.116 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113586695 1412319055 /nfs/dbraw/zinc/31/90/55/1412319055.db2.gz QVOWQPYHQDJIEJ-UHFFFAOYSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000113934126 1412354454 /nfs/dbraw/zinc/35/44/54/1412354454.db2.gz HPQYKVVMDPSWCF-RBUKOAKNSA-N 2 0 386.540 3.311 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000113934593 1412355375 /nfs/dbraw/zinc/35/53/75/1412355375.db2.gz GLRWYKGFNZIYHT-ZWKOTPCHSA-N 2 0 387.524 3.330 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3C[N@H+](CC)CC4)c(C)c2)CC1 ZINC000177248491 1428650052 /nfs/dbraw/zinc/65/00/52/1428650052.db2.gz OWEIXQMXRYNZOE-CTNGQTDRSA-N 2 0 399.583 3.227 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](CC)C4)c(C)c2)CC1 ZINC000177248477 1428650660 /nfs/dbraw/zinc/65/06/60/1428650660.db2.gz OWEIXQMXRYNZOE-PZJWPPBQSA-N 2 0 399.583 3.227 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000114456418 1412436889 /nfs/dbraw/zinc/43/68/89/1412436889.db2.gz NXVPFFUNQFHUNI-UHFFFAOYSA-N 2 0 399.579 3.355 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000114475720 1412440764 /nfs/dbraw/zinc/44/07/64/1412440764.db2.gz UFLUCEBGYXVMIN-KRWDZBQOSA-N 2 0 388.556 3.416 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000114475571 1412440897 /nfs/dbraw/zinc/44/08/97/1412440897.db2.gz DZCXSPCVEPFPAC-MRXNPFEDSA-N 2 0 392.519 3.306 20 0 GGADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C1CC1 ZINC000114595834 1412471151 /nfs/dbraw/zinc/47/11/51/1412471151.db2.gz RORHDVDAQQQLHH-RHSMWYFYSA-N 2 0 398.473 3.062 20 0 GGADRP CCOc1cc2[nH+]ccc(N3CCC([N@H+](C)CCCO)CC3)c2cc1OCC ZINC000115519855 1412700626 /nfs/dbraw/zinc/70/06/26/1412700626.db2.gz PHNKIIZMGGGMCY-UHFFFAOYSA-N 2 0 387.524 3.315 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000115640097 1412741399 /nfs/dbraw/zinc/74/13/99/1412741399.db2.gz RGZAAEOFNNGMJX-YLJYHZDGSA-N 2 0 376.545 3.007 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCc2ccc(OC)cc2)CC(C)(C)C)CC1 ZINC000115739358 1412777123 /nfs/dbraw/zinc/77/71/23/1412777123.db2.gz BEGGOOVZTJTEQX-UHFFFAOYSA-N 2 0 389.584 3.186 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000115819930 1412798206 /nfs/dbraw/zinc/79/82/06/1412798206.db2.gz NKAQROOPDOQBLW-QFIPXVFZSA-N 2 0 386.584 3.402 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000116338901 1412851188 /nfs/dbraw/zinc/85/11/88/1412851188.db2.gz RIBBGGLYJSADHA-KRWDZBQOSA-N 2 0 389.975 3.104 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116410483 1412856452 /nfs/dbraw/zinc/85/64/52/1412856452.db2.gz GJEWADYHYDGASZ-HXUWFJFHSA-N 2 0 389.588 3.235 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000118756429 1413215520 /nfs/dbraw/zinc/21/55/20/1413215520.db2.gz PZFXBLZBJCCRRL-GOSISDBHSA-N 2 0 379.504 3.397 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118772036 1413218148 /nfs/dbraw/zinc/21/81/48/1413218148.db2.gz JYJAQFJBCVBMPW-UHFFFAOYSA-N 2 0 387.568 3.178 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)CC1 ZINC000118834567 1413237754 /nfs/dbraw/zinc/23/77/54/1413237754.db2.gz JDBRTCRSAZSWJL-HXUWFJFHSA-N 2 0 397.563 3.437 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000119185027 1413369501 /nfs/dbraw/zinc/36/95/01/1413369501.db2.gz GXVLABOWKLPVCU-MOPGFXCFSA-N 2 0 376.545 3.002 20 0 GGADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000119412447 1413438650 /nfs/dbraw/zinc/43/86/50/1413438650.db2.gz SCMRVJMLUWFWOZ-ZDUSSCGKSA-N 2 0 383.330 3.430 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119422117 1413442303 /nfs/dbraw/zinc/44/23/03/1413442303.db2.gz QDQZRZUYKPQWOT-SFHVURJKSA-N 2 0 379.508 3.407 20 0 GGADRP C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000119458424 1413453516 /nfs/dbraw/zinc/45/35/16/1413453516.db2.gz MDYSGKCQKUTEOS-QRVBRYPASA-N 2 0 377.573 3.165 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000119472075 1413459106 /nfs/dbraw/zinc/45/91/06/1413459106.db2.gz CMDZXNFYTVEYGC-SFTDATJTSA-N 2 0 381.520 3.429 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000119613313 1413503366 /nfs/dbraw/zinc/50/33/66/1413503366.db2.gz SPPVHONICVXSHS-UHFFFAOYSA-N 2 0 389.975 3.010 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 ZINC000119612319 1413503396 /nfs/dbraw/zinc/50/33/96/1413503396.db2.gz ITWUHSNBPRYJPB-UHFFFAOYSA-N 2 0 393.938 3.090 20 0 GGADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000119613262 1413503599 /nfs/dbraw/zinc/50/35/99/1413503599.db2.gz KZXCEBBDQFXVBV-SQGPQFPESA-N 2 0 381.586 3.146 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000119630251 1413509313 /nfs/dbraw/zinc/50/93/13/1413509313.db2.gz GUIIFYJRMXBOCZ-UHFFFAOYSA-N 2 0 393.938 3.090 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000177437408 1428736649 /nfs/dbraw/zinc/73/66/49/1428736649.db2.gz NFQXWGCQAVCVDP-UHFFFAOYSA-N 2 0 398.595 3.354 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000119803077 1413574735 /nfs/dbraw/zinc/57/47/35/1413574735.db2.gz BOQRXKNJIYWXAO-UHFFFAOYSA-N 2 0 390.528 3.075 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000119851662 1413593828 /nfs/dbraw/zinc/59/38/28/1413593828.db2.gz MDHJBYAZUWWZNM-UHFFFAOYSA-N 2 0 376.589 3.443 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000119880508 1413603276 /nfs/dbraw/zinc/60/32/76/1413603276.db2.gz VZQUAUKAXAFJCB-GHTZIAJQSA-N 2 0 376.589 3.157 20 0 GGADRP Cc1ccc(Oc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2)cc1 ZINC000119886386 1413605254 /nfs/dbraw/zinc/60/52/54/1413605254.db2.gz MARZRGNDRGQUJE-UHFFFAOYSA-N 2 0 385.512 3.139 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCC1 ZINC000120110319 1413691803 /nfs/dbraw/zinc/69/18/03/1413691803.db2.gz RYLGAAHFCFNQNO-PKOBYXMFSA-N 2 0 390.572 3.108 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCC1 ZINC000120109985 1413691883 /nfs/dbraw/zinc/69/18/83/1413691883.db2.gz RYLGAAHFCFNQNO-HKUYNNGSSA-N 2 0 390.572 3.108 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCC1 ZINC000120110175 1413691915 /nfs/dbraw/zinc/69/19/15/1413691915.db2.gz RYLGAAHFCFNQNO-MJGOQNOKSA-N 2 0 390.572 3.108 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCC1 ZINC000120110489 1413692097 /nfs/dbraw/zinc/69/20/97/1413692097.db2.gz RYLGAAHFCFNQNO-IEBWSBKVSA-N 2 0 390.572 3.108 20 0 GGADRP C[C@H]1OCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122644 1413696174 /nfs/dbraw/zinc/69/61/74/1413696174.db2.gz QYHXCVLWHDOWJB-APWZRJJASA-N 2 0 385.474 3.375 20 0 GGADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122798 1413696267 /nfs/dbraw/zinc/69/62/67/1413696267.db2.gz QYHXCVLWHDOWJB-LPHOPBHVSA-N 2 0 385.474 3.375 20 0 GGADRP COc1cccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)c1 ZINC000120123349 1413696330 /nfs/dbraw/zinc/69/63/30/1413696330.db2.gz WGGJUHZLQBBYLK-FXAWDEMLSA-N 2 0 390.572 3.108 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000120171620 1413716837 /nfs/dbraw/zinc/71/68/37/1413716837.db2.gz QGWSNBMTUZPNMS-DZFGPLHGSA-N 2 0 390.572 3.060 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000120240231 1413746874 /nfs/dbraw/zinc/74/68/74/1413746874.db2.gz MMHWELLBUMCRHV-WIYYLYMNSA-N 2 0 387.568 3.459 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000120317804 1413783241 /nfs/dbraw/zinc/78/32/41/1413783241.db2.gz OHYGJWHRKISWQB-XHSDSOJGSA-N 2 0 385.474 3.321 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000120498734 1413831024 /nfs/dbraw/zinc/83/10/24/1413831024.db2.gz QYBGMWGKQHTLRN-UGKGYDQZSA-N 2 0 386.584 3.400 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000120761154 1413895054 /nfs/dbraw/zinc/89/50/54/1413895054.db2.gz OZHAPFGOMKXHHG-QGZVFWFLSA-N 2 0 384.524 3.306 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120793650 1413904843 /nfs/dbraw/zinc/90/48/43/1413904843.db2.gz UMNSOZZBGQUBAX-MOPGFXCFSA-N 2 0 389.588 3.094 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000120802336 1413907707 /nfs/dbraw/zinc/90/77/07/1413907707.db2.gz HHNPMFHWONWHOI-DLBZAZTESA-N 2 0 389.975 3.368 20 0 GGADRP C[NH+](C)CCN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000177489699 1428765020 /nfs/dbraw/zinc/76/50/20/1428765020.db2.gz FILYQYIEDUUQGQ-UHFFFAOYSA-N 2 0 386.584 3.209 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000177494005 1428768056 /nfs/dbraw/zinc/76/80/56/1428768056.db2.gz NTOOXRJXZXXNJH-IYBDPMFKSA-N 2 0 378.513 3.086 20 0 GGADRP CC(=O)c1ccccc1OCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177497912 1428770132 /nfs/dbraw/zinc/77/01/32/1428770132.db2.gz AKRZHCFVLVWNIY-KDURUIRLSA-N 2 0 388.552 3.479 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000177499375 1428770485 /nfs/dbraw/zinc/77/04/85/1428770485.db2.gz AAKCRAFNEABPKE-RTBURBONSA-N 2 0 398.551 3.490 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000177502042 1428772103 /nfs/dbraw/zinc/77/21/03/1428772103.db2.gz KDIJNHDUHWLNCM-WOJBJXKFSA-N 2 0 399.579 3.177 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000177503820 1428772972 /nfs/dbraw/zinc/77/29/72/1428772972.db2.gz SDLBTVBRLIURFW-ZCNNSNEGSA-N 2 0 387.568 3.075 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000121086645 1414002740 /nfs/dbraw/zinc/00/27/40/1414002740.db2.gz QKKQWVXKQDSEEY-UHFFFAOYSA-N 2 0 378.605 3.449 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000121092369 1414004704 /nfs/dbraw/zinc/00/47/04/1414004704.db2.gz YXJSDVZDRCOXLC-HNNXBMFYSA-N 2 0 377.529 3.273 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121108588 1414010393 /nfs/dbraw/zinc/01/03/93/1414010393.db2.gz LQEDFDYMVNKBBO-IRXDYDNUSA-N 2 0 377.529 3.133 20 0 GGADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177506028 1428773902 /nfs/dbraw/zinc/77/39/02/1428773902.db2.gz IPVBLJQOWQKTQS-QRVBRYPASA-N 2 0 379.589 3.035 20 0 GGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000121112636 1414011780 /nfs/dbraw/zinc/01/17/80/1414011780.db2.gz MFQQYVBBYPNSCB-OAHLLOKOSA-N 2 0 376.932 3.255 20 0 GGADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000121158333 1414028094 /nfs/dbraw/zinc/02/80/94/1414028094.db2.gz MOPAMQIRZMODQL-LJQANCHMSA-N 2 0 392.547 3.151 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000121185758 1414037777 /nfs/dbraw/zinc/03/77/77/1414037777.db2.gz IRWTYEPRXPOKAC-UHFFFAOYSA-N 2 0 389.547 3.422 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000121190705 1414038960 /nfs/dbraw/zinc/03/89/60/1414038960.db2.gz CSXGRAKAXHYISR-LJQANCHMSA-N 2 0 393.019 3.168 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121273499 1414067729 /nfs/dbraw/zinc/06/77/29/1414067729.db2.gz KINDOYBVZPKCPI-QFIPXVFZSA-N 2 0 384.568 3.311 20 0 GGADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177505997 1428773732 /nfs/dbraw/zinc/77/37/32/1428773732.db2.gz IPVBLJQOWQKTQS-OTWHNJEPSA-N 2 0 379.589 3.035 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312504 1414080236 /nfs/dbraw/zinc/08/02/36/1414080236.db2.gz AQENFQMDSYVPRD-NRFANRHFSA-N 2 0 381.564 3.428 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121311842 1414080377 /nfs/dbraw/zinc/08/03/77/1414080377.db2.gz FUDVQJLULICTRO-ZRBLBEILSA-N 2 0 383.580 3.132 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177519086 1428780077 /nfs/dbraw/zinc/78/00/77/1428780077.db2.gz VYCWRRGVHBOPPD-SFHVURJKSA-N 2 0 376.545 3.213 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121351999 1414091968 /nfs/dbraw/zinc/09/19/68/1414091968.db2.gz RPMUDZQXNMLXFR-CVEARBPZSA-N 2 0 383.964 3.281 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000121398042 1414107620 /nfs/dbraw/zinc/10/76/20/1414107620.db2.gz VQOZUNBAONVOHC-KXBFYZLASA-N 2 0 385.474 3.436 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000121415623 1414114553 /nfs/dbraw/zinc/11/45/53/1414114553.db2.gz PJYIWEXKMVCZRC-KRWDZBQOSA-N 2 0 390.959 3.088 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121448556 1414126687 /nfs/dbraw/zinc/12/66/87/1414126687.db2.gz PEKQNRLDMWBCJI-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000121490581 1414147379 /nfs/dbraw/zinc/14/73/79/1414147379.db2.gz UNXWURKLKFXLSZ-UONOGXRCSA-N 2 0 378.904 3.497 20 0 GGADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000121508728 1414155615 /nfs/dbraw/zinc/15/56/15/1414155615.db2.gz NDAXHANYGQAGMN-JOCHJYFZSA-N 2 0 380.532 3.299 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000177542536 1428786998 /nfs/dbraw/zinc/78/69/98/1428786998.db2.gz YSMIHXAOMAGOOH-LJQANCHMSA-N 2 0 390.597 3.083 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000177542524 1428787198 /nfs/dbraw/zinc/78/71/98/1428787198.db2.gz YSMIHXAOMAGOOH-IBGZPJMESA-N 2 0 390.597 3.083 20 0 GGADRP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121616934 1414202423 /nfs/dbraw/zinc/20/24/23/1414202423.db2.gz YOXWKQGTIJYDHA-FQEVSTJZSA-N 2 0 375.557 3.316 20 0 GGADRP COCc1cccc(CNC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121752324 1414246599 /nfs/dbraw/zinc/24/65/99/1414246599.db2.gz AEQIBDXBBJLYPU-UHFFFAOYSA-N 2 0 387.568 3.037 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000121772746 1414252432 /nfs/dbraw/zinc/25/24/32/1414252432.db2.gz JRHKGHARORNZCH-OALUTQOASA-N 2 0 386.584 3.126 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121779784 1414255028 /nfs/dbraw/zinc/25/50/28/1414255028.db2.gz HDBACHLKCZTNDG-WOJBJXKFSA-N 2 0 398.595 3.413 20 0 GGADRP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177559482 1428793075 /nfs/dbraw/zinc/79/30/75/1428793075.db2.gz PJJCCQVPXLJLDH-UHFFFAOYSA-N 2 0 380.536 3.465 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000121805337 1414263126 /nfs/dbraw/zinc/26/31/26/1414263126.db2.gz KXSQEIBVEXKQAE-UHFFFAOYSA-N 2 0 398.482 3.199 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cn2)CC1 ZINC000121846769 1414276975 /nfs/dbraw/zinc/27/69/75/1414276975.db2.gz ZZKXZXHHRDGIQF-QFIPXVFZSA-N 2 0 392.547 3.326 20 0 GGADRP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121889709 1414292176 /nfs/dbraw/zinc/29/21/76/1414292176.db2.gz QPZNCVWNBQAOSI-UHFFFAOYSA-N 2 0 393.597 3.025 20 0 GGADRP Cc1ccc2cccc(NC(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)c2n1 ZINC000121990373 1414333062 /nfs/dbraw/zinc/33/30/62/1414333062.db2.gz UKYVWRPGUGEAEO-UHFFFAOYSA-N 2 0 381.524 3.223 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000122215394 1414391542 /nfs/dbraw/zinc/39/15/42/1414391542.db2.gz LMBBMXNWOZLMBF-UHFFFAOYSA-N 2 0 375.557 3.312 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122253290 1414401917 /nfs/dbraw/zinc/40/19/17/1414401917.db2.gz PXZFTFXGSICZHR-ROUUACIJSA-N 2 0 377.529 3.162 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000122359084 1414433860 /nfs/dbraw/zinc/43/38/60/1414433860.db2.gz HFFNGQWVGQBPJH-YKSBVNFPSA-N 2 0 397.563 3.006 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000122458276 1414466835 /nfs/dbraw/zinc/46/68/35/1414466835.db2.gz CWZAYWBQZRRCJI-UHFFFAOYSA-N 2 0 386.515 3.161 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000122457954 1414467045 /nfs/dbraw/zinc/46/70/45/1414467045.db2.gz JJRTWUNEIBPQOI-UHFFFAOYSA-N 2 0 398.526 3.351 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000122864778 1414583987 /nfs/dbraw/zinc/58/39/87/1414583987.db2.gz HWAGLGYPIYLCSS-UHFFFAOYSA-N 2 0 381.520 3.153 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122876904 1414587216 /nfs/dbraw/zinc/58/72/16/1414587216.db2.gz CFWSCTJTOYKLOX-UYAOXDASSA-N 2 0 390.568 3.462 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123093455 1414639824 /nfs/dbraw/zinc/63/98/24/1414639824.db2.gz ZPONAZYKAPNBNY-SFHVURJKSA-N 2 0 384.568 3.041 20 0 GGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123155652 1414655768 /nfs/dbraw/zinc/65/57/68/1414655768.db2.gz MZAMXFLZUYTAQW-XEVCZEQESA-N 2 0 378.582 3.482 20 0 GGADRP COc1cccc2c1OC[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000123164593 1414657974 /nfs/dbraw/zinc/65/79/74/1414657974.db2.gz XTOSCIIUIZORIT-FQEVSTJZSA-N 2 0 395.547 3.319 20 0 GGADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCc2sccc2C1 ZINC000123191017 1414664380 /nfs/dbraw/zinc/66/43/80/1414664380.db2.gz HVVSRUJQTLDFPY-INIZCTEOSA-N 2 0 386.565 3.056 20 0 GGADRP CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123242785 1414676619 /nfs/dbraw/zinc/67/66/19/1414676619.db2.gz KPRJCTSTBOKDDZ-UHFFFAOYSA-N 2 0 377.529 3.045 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC3 ZINC000123274257 1414684877 /nfs/dbraw/zinc/68/48/77/1414684877.db2.gz NJRXWDIFKVXFPF-FUHWJXTLSA-N 2 0 383.536 3.124 20 0 GGADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123414209 1414722475 /nfs/dbraw/zinc/72/24/75/1414722475.db2.gz PNOWSHCVBDKQFL-GOSISDBHSA-N 2 0 384.568 3.269 20 0 GGADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123413986 1414722960 /nfs/dbraw/zinc/72/29/60/1414722960.db2.gz PNOWSHCVBDKQFL-SFHVURJKSA-N 2 0 384.568 3.269 20 0 GGADRP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123475938 1414745440 /nfs/dbraw/zinc/74/54/40/1414745440.db2.gz UISNNDDVBBIOJE-GOSISDBHSA-N 2 0 388.556 3.394 20 0 GGADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123476597 1414745997 /nfs/dbraw/zinc/74/59/97/1414745997.db2.gz QMMFIIQZDOJIMS-QZTJIDSGSA-N 2 0 375.557 3.315 20 0 GGADRP C[C@@H]1C[NH+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)O1 ZINC000123481935 1414747896 /nfs/dbraw/zinc/74/78/96/1414747896.db2.gz IMZDMBMRHKSNAM-IAGOWNOFSA-N 2 0 387.524 3.114 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000123560917 1414775194 /nfs/dbraw/zinc/77/51/94/1414775194.db2.gz PIRIZPRXZWNWAP-GOSISDBHSA-N 2 0 388.474 3.499 20 0 GGADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1S(C)(=O)=O ZINC000123651855 1414803978 /nfs/dbraw/zinc/80/39/78/1414803978.db2.gz VZKDAWHTFCXZQT-HNNXBMFYSA-N 2 0 376.522 3.011 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000123809732 1414827774 /nfs/dbraw/zinc/82/77/74/1414827774.db2.gz BTHGHZLZGIBUKO-NQIIRXRSSA-N 2 0 387.568 3.459 20 0 GGADRP FC(F)Sc1nc2ccccc2n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000123936584 1414853160 /nfs/dbraw/zinc/85/31/60/1414853160.db2.gz PWMPYDDFMWYFLG-UHFFFAOYSA-N 2 0 396.507 3.353 20 0 GGADRP C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000124004660 1414867263 /nfs/dbraw/zinc/86/72/63/1414867263.db2.gz NWIPYOVXDMKQOP-PXNSSMCTSA-N 2 0 381.520 3.363 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)[NH+]2CCCC2)o1 ZINC000124037854 1414874220 /nfs/dbraw/zinc/87/42/20/1414874220.db2.gz KFPZZOXGCPKFSO-LJQANCHMSA-N 2 0 388.512 3.091 20 0 GGADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1OC(F)F ZINC000124373020 1414951719 /nfs/dbraw/zinc/95/17/19/1414951719.db2.gz XVUPYPGJMXKWQH-HNNXBMFYSA-N 2 0 385.499 3.221 20 0 GGADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Cl ZINC000124510133 1414984301 /nfs/dbraw/zinc/98/43/01/1414984301.db2.gz QOEZVXPBIVEBND-OAHLLOKOSA-N 2 0 383.964 3.281 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000124583961 1414999217 /nfs/dbraw/zinc/99/92/17/1414999217.db2.gz ZDABWGHOQPJSPR-IAGOWNOFSA-N 2 0 399.501 3.412 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@H](C)O1 ZINC000124610329 1415004862 /nfs/dbraw/zinc/00/48/62/1415004862.db2.gz OPFILKHKEHTSIO-IRXDYDNUSA-N 2 0 381.511 3.115 20 0 GGADRP [NH2+]=C1Nc2nc3ccccc3n2C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N1 ZINC000124704367 1415025815 /nfs/dbraw/zinc/02/58/15/1415025815.db2.gz DSJWJANREKJSOO-UHFFFAOYSA-N 2 0 380.883 3.188 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000124709942 1415026665 /nfs/dbraw/zinc/02/66/65/1415026665.db2.gz PHQGZITXEROGLO-FQEVSTJZSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000124724324 1415029739 /nfs/dbraw/zinc/02/97/39/1415029739.db2.gz HFTALSJBELZLOW-QRVBRYPASA-N 2 0 390.535 3.470 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000124883506 1415066527 /nfs/dbraw/zinc/06/65/27/1415066527.db2.gz IBKCHXUCGBZINS-PGRDOPGGSA-N 2 0 380.536 3.210 20 0 GGADRP OC[C@H]1c2ccccc2CC[NH+]1CCCCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000177827347 1428866053 /nfs/dbraw/zinc/86/60/53/1428866053.db2.gz JRWCHDQKZBQBPI-PLQXJYEYSA-N 2 0 394.559 3.340 20 0 GGADRP OCCN1CC[NH+](CCCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000125147744 1415118739 /nfs/dbraw/zinc/11/87/39/1415118739.db2.gz FVJFOQRTYXBEGP-UHFFFAOYSA-N 2 0 396.457 3.056 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000125294028 1415155571 /nfs/dbraw/zinc/15/55/71/1415155571.db2.gz IGKFRACJKLMUDI-QWFCFKBJSA-N 2 0 376.589 3.155 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125323718 1415163831 /nfs/dbraw/zinc/16/38/31/1415163831.db2.gz SSEZZRZORWMSLZ-KRWDZBQOSA-N 2 0 381.586 3.100 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000177849302 1428872101 /nfs/dbraw/zinc/87/21/01/1428872101.db2.gz ZFDURNYTEARICR-SIKLNZKXSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(-c2ccco2)sc1C ZINC000125580915 1415230663 /nfs/dbraw/zinc/23/06/63/1415230663.db2.gz KZLATUWWKXGILK-MRXNPFEDSA-N 2 0 390.553 3.200 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(-c2ccco2)sc1C ZINC000125581155 1415230807 /nfs/dbraw/zinc/23/08/07/1415230807.db2.gz KZLATUWWKXGILK-INIZCTEOSA-N 2 0 390.553 3.200 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000177888941 1428884257 /nfs/dbraw/zinc/88/42/57/1428884257.db2.gz COSVPOYCSYQBMS-IAGOWNOFSA-N 2 0 399.501 3.412 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125749135 1415269572 /nfs/dbraw/zinc/26/95/72/1415269572.db2.gz BVZLFBFJNZHIIP-IRXDYDNUSA-N 2 0 377.529 3.131 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000125782206 1415279309 /nfs/dbraw/zinc/27/93/09/1415279309.db2.gz QRIPAIRCOJBWFG-JQVVWYNYSA-N 2 0 398.595 3.448 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000125825136 1415290758 /nfs/dbraw/zinc/29/07/58/1415290758.db2.gz SONWMSKGZYGZAC-PMACEKPBSA-N 2 0 390.572 3.392 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000125846351 1415295626 /nfs/dbraw/zinc/29/56/26/1415295626.db2.gz KAFLYWYJTWHSBJ-NRFANRHFSA-N 2 0 384.524 3.188 20 0 GGADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125898159 1415307843 /nfs/dbraw/zinc/30/78/43/1415307843.db2.gz PPXBGAOEQCYPFK-LPHOPBHVSA-N 2 0 381.586 3.244 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000125899665 1415308134 /nfs/dbraw/zinc/30/81/34/1415308134.db2.gz UOSSQZQFSRQJSR-KURKYZTESA-N 2 0 391.556 3.379 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000126026106 1415339735 /nfs/dbraw/zinc/33/97/35/1415339735.db2.gz MOEZJJNKBMGIJU-UHFFFAOYSA-N 2 0 385.474 3.276 20 0 GGADRP CCCOc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC ZINC000126054004 1415345778 /nfs/dbraw/zinc/34/57/78/1415345778.db2.gz YCYBHDXECIORKK-UHFFFAOYSA-N 2 0 398.551 3.311 20 0 GGADRP COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC(C)C ZINC000126055511 1415346034 /nfs/dbraw/zinc/34/60/34/1415346034.db2.gz UTMIKLBLXDXTAI-UHFFFAOYSA-N 2 0 398.551 3.167 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)Nc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000126111610 1415360536 /nfs/dbraw/zinc/36/05/36/1415360536.db2.gz DACYOGGPNKXKGY-UHFFFAOYSA-N 2 0 399.564 3.490 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177980103 1428913814 /nfs/dbraw/zinc/91/38/14/1428913814.db2.gz ONNBGRKQYLQZTC-KRWDZBQOSA-N 2 0 389.565 3.286 20 0 GGADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126355420 1415425564 /nfs/dbraw/zinc/42/55/64/1415425564.db2.gz PUMRLPZOKADHKP-KRWDZBQOSA-N 3 0 379.508 3.367 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000126355648 1415425706 /nfs/dbraw/zinc/42/57/06/1415425706.db2.gz ZBOKNPRANQPEHO-UHFFFAOYSA-N 2 0 389.547 3.300 20 0 GGADRP CSCC[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000126370329 1415428681 /nfs/dbraw/zinc/42/86/81/1415428681.db2.gz AGUDGUHUPOCGCP-IBGZPJMESA-N 2 0 377.598 3.103 20 0 GGADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000178006536 1428929513 /nfs/dbraw/zinc/92/95/13/1428929513.db2.gz RTLXVNSDDXTEEC-KUHUBIRLSA-N 2 0 386.565 3.308 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000126542838 1415484227 /nfs/dbraw/zinc/48/42/27/1415484227.db2.gz OZSYQTVWDPCHOG-JOCHJYFZSA-N 2 0 386.584 3.209 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126679637 1415524658 /nfs/dbraw/zinc/52/46/58/1415524658.db2.gz KCBSBUSRYJRTBA-JOCHJYFZSA-N 2 0 395.547 3.446 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126679137 1415524799 /nfs/dbraw/zinc/52/47/99/1415524799.db2.gz OWHNETZZGJJUFK-HXUWFJFHSA-N 2 0 397.563 3.310 20 0 GGADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000178036330 1428948632 /nfs/dbraw/zinc/94/86/32/1428948632.db2.gz ZHCFGTWBLAMLJG-AQNXPRMDSA-N 2 0 375.557 3.500 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000126730986 1415541718 /nfs/dbraw/zinc/54/17/18/1415541718.db2.gz QQEYTYNLQGOBMW-GOSISDBHSA-N 2 0 383.536 3.302 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126739145 1415544198 /nfs/dbraw/zinc/54/41/98/1415544198.db2.gz BRALGLYOBSQAJM-PZJWPPBQSA-N 2 0 376.589 3.301 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775386 1415555285 /nfs/dbraw/zinc/55/52/85/1415555285.db2.gz QSHGJCBEVXYOGH-HKUYNNGSSA-N 2 0 390.597 3.305 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000178034343 1428948111 /nfs/dbraw/zinc/94/81/11/1428948111.db2.gz WKYDLPHMLVSBAZ-GOSISDBHSA-N 2 0 376.545 3.213 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000178036895 1428949667 /nfs/dbraw/zinc/94/96/67/1428949667.db2.gz QSWMBUKASPVDLH-PMACEKPBSA-N 2 0 391.575 3.312 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000126847175 1415583077 /nfs/dbraw/zinc/58/30/77/1415583077.db2.gz ZLMOZHRCCBKGSG-PXNSSMCTSA-N 2 0 378.536 3.382 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000126989030 1415627988 /nfs/dbraw/zinc/62/79/88/1415627988.db2.gz OQBNNDRINZFLCV-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000127047923 1415648056 /nfs/dbraw/zinc/64/80/56/1415648056.db2.gz WVQBOTZRIHYUPJ-CQSZACIVSA-N 2 0 388.781 3.466 20 0 GGADRP C[NH+]1CCC(CCNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000127311670 1415731785 /nfs/dbraw/zinc/73/17/85/1415731785.db2.gz YHOLYOPLIQFAAY-UHFFFAOYSA-N 2 0 388.556 3.405 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178106456 1428983686 /nfs/dbraw/zinc/98/36/86/1428983686.db2.gz NVHYBNNPMVHHCI-RTBURBONSA-N 2 0 398.595 3.317 20 0 GGADRP COc1ccc(C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000127479004 1415795502 /nfs/dbraw/zinc/79/55/02/1415795502.db2.gz DQJCVRIWHRNEIE-NTKDMRAZSA-N 2 0 397.563 3.213 20 0 GGADRP C[C@@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000127488216 1415800028 /nfs/dbraw/zinc/80/00/28/1415800028.db2.gz XYYPIYAEVQRUQW-SFHVURJKSA-N 2 0 387.518 3.344 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000127507241 1415802370 /nfs/dbraw/zinc/80/23/70/1415802370.db2.gz DEKYXLAMOJLDOH-ZRBLBEILSA-N 2 0 396.579 3.167 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC(c4ccccc4)C3)c2)C1 ZINC000127512973 1415803118 /nfs/dbraw/zinc/80/31/18/1415803118.db2.gz KGIUUWRZROBXPM-DDRJZQQSSA-N 2 0 377.532 3.420 20 0 GGADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000178168373 1429004895 /nfs/dbraw/zinc/00/48/95/1429004895.db2.gz JNCVDIUOFGORIE-MRXNPFEDSA-N 2 0 389.927 3.361 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000127669451 1415829716 /nfs/dbraw/zinc/82/97/16/1415829716.db2.gz HMIUKQKHZJSVJE-XLIONFOSSA-N 2 0 378.536 3.096 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000127688153 1415832843 /nfs/dbraw/zinc/83/28/43/1415832843.db2.gz NYUASKFBGUWYPW-CVEARBPZSA-N 2 0 388.581 3.414 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000127687951 1415832924 /nfs/dbraw/zinc/83/29/24/1415832924.db2.gz NYUASKFBGUWYPW-HZPDHXFCSA-N 2 0 388.581 3.414 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000127688608 1415833551 /nfs/dbraw/zinc/83/35/51/1415833551.db2.gz NYUASKFBGUWYPW-HOTGVXAUSA-N 2 0 388.581 3.414 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127755649 1415844747 /nfs/dbraw/zinc/84/47/47/1415844747.db2.gz ZWFNNCCHNFOGRI-XMSQKQJNSA-N 2 0 388.531 3.281 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821578 1415857174 /nfs/dbraw/zinc/85/71/74/1415857174.db2.gz NZDXSAIOMSXZMQ-HTXHHYGKSA-N 2 0 381.495 3.326 20 0 GGADRP COc1cc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccncc1 ZINC000127938413 1415878822 /nfs/dbraw/zinc/87/88/22/1415878822.db2.gz HBKKYCDYRUWSLM-RTBURBONSA-N 2 0 399.535 3.258 20 0 GGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000127955346 1415882988 /nfs/dbraw/zinc/88/29/88/1415882988.db2.gz MORXDNXYXNGAAI-ZBFHGGJFSA-N 2 0 385.524 3.282 20 0 GGADRP Cc1nn(C)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000128106000 1415914283 /nfs/dbraw/zinc/91/42/83/1415914283.db2.gz VJXFYZGSUUBQSR-UHFFFAOYSA-N 2 0 389.975 3.382 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000128248759 1415947901 /nfs/dbraw/zinc/94/79/01/1415947901.db2.gz XUAFHTVVADXSQJ-FQEVSTJZSA-N 2 0 383.584 3.476 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000128248547 1415947978 /nfs/dbraw/zinc/94/79/78/1415947978.db2.gz XUAFHTVVADXSQJ-HXUWFJFHSA-N 2 0 383.584 3.476 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178231900 1429024759 /nfs/dbraw/zinc/02/47/59/1429024759.db2.gz BDJDUXGEJHSTGI-LJQANCHMSA-N 2 0 382.552 3.337 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000128405429 1415980159 /nfs/dbraw/zinc/98/01/59/1415980159.db2.gz LAPCJYUYCZLHMM-UHFFFAOYSA-N 2 0 380.414 3.022 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662175 1416036682 /nfs/dbraw/zinc/03/66/82/1416036682.db2.gz AMBKKDPQGFCYPX-LPHOPBHVSA-N 2 0 377.529 3.131 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000128727942 1416052275 /nfs/dbraw/zinc/05/22/75/1416052275.db2.gz PXTVGGZUWTZLGG-RBUKOAKNSA-N 2 0 378.561 3.330 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000128728417 1416052414 /nfs/dbraw/zinc/05/24/14/1416052414.db2.gz PXTVGGZUWTZLGG-RTBURBONSA-N 2 0 378.561 3.330 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccco1 ZINC000128727480 1416052726 /nfs/dbraw/zinc/05/27/26/1416052726.db2.gz IDNSRIBHGJZCQB-YZGWKJHDSA-N 2 0 388.556 3.321 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-n2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000128900955 1416096684 /nfs/dbraw/zinc/09/66/84/1416096684.db2.gz IFKBJJZSSSUYSF-GHTZIAJQSA-N 2 0 389.503 3.335 20 0 GGADRP C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000128962562 1416113944 /nfs/dbraw/zinc/11/39/44/1416113944.db2.gz MWKMDGBGRUEZEQ-KRWDZBQOSA-N 2 0 392.613 3.376 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000129319517 1416190405 /nfs/dbraw/zinc/19/04/05/1416190405.db2.gz LRGOWOMDIVWLKL-VQIMIIECSA-N 2 0 380.964 3.316 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000129319313 1416190437 /nfs/dbraw/zinc/19/04/37/1416190437.db2.gz LRGOWOMDIVWLKL-APWZRJJASA-N 2 0 380.964 3.316 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129493039 1416218531 /nfs/dbraw/zinc/21/85/31/1416218531.db2.gz FUBOSAUTCZGNFI-HSALFYBXSA-N 2 0 386.584 3.258 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606476 1416235778 /nfs/dbraw/zinc/23/57/78/1416235778.db2.gz GMUABFYVVUMZGS-XXBNENTESA-N 2 0 375.520 3.310 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129860242 1416275382 /nfs/dbraw/zinc/27/53/82/1416275382.db2.gz QUAUEIJITOEKBL-GCJKJVERSA-N 2 0 388.600 3.442 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000129860654 1416275966 /nfs/dbraw/zinc/27/59/66/1416275966.db2.gz QUAUEIJITOEKBL-AVRDEDQJSA-N 2 0 388.600 3.442 20 0 GGADRP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129956978 1416291029 /nfs/dbraw/zinc/29/10/29/1416291029.db2.gz KZNYZCCDXMKZKU-MHORFTMASA-N 2 0 390.547 3.016 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000130190590 1416336028 /nfs/dbraw/zinc/33/60/28/1416336028.db2.gz HCWPRMKGTHMFFI-UHFFFAOYSA-N 2 0 391.437 3.219 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000130193306 1416336966 /nfs/dbraw/zinc/33/69/66/1416336966.db2.gz XPUWMWAISURBNQ-UHFFFAOYSA-N 2 0 388.515 3.350 20 0 GGADRP CCOc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000130196611 1416337362 /nfs/dbraw/zinc/33/73/62/1416337362.db2.gz BRVAPMQHXYRABT-UHFFFAOYSA-N 2 0 381.520 3.201 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130200164 1416338542 /nfs/dbraw/zinc/33/85/42/1416338542.db2.gz KLPBDXFCBMOHAQ-KRWDZBQOSA-N 2 0 385.508 3.175 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@@H](C)O1 ZINC000130333624 1416360040 /nfs/dbraw/zinc/36/00/40/1416360040.db2.gz OTKCKSHSZMXZCB-RTBURBONSA-N 2 0 395.547 3.287 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)cn2)CC1 ZINC000130462470 1416381903 /nfs/dbraw/zinc/38/19/03/1416381903.db2.gz WTLJYKQAAAENMH-LJQANCHMSA-N 2 0 386.927 3.490 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1OC(F)F ZINC000130485211 1416386666 /nfs/dbraw/zinc/38/66/66/1416386666.db2.gz ROJMTRSNUXCVJN-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP COc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ccc1SC ZINC000130516742 1416392335 /nfs/dbraw/zinc/39/23/35/1416392335.db2.gz ILJJGRHHPSRRKY-INIZCTEOSA-N 2 0 386.565 3.415 20 0 GGADRP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000130582024 1416403768 /nfs/dbraw/zinc/40/37/68/1416403768.db2.gz XCZFJCSNGXDHLZ-OAQYLSRUSA-N 2 0 384.524 3.276 20 0 GGADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130675410 1416423018 /nfs/dbraw/zinc/42/30/18/1416423018.db2.gz CNZWXFJCSUUPEL-OAHLLOKOSA-N 2 0 381.511 3.442 20 0 GGADRP Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130688900 1416425384 /nfs/dbraw/zinc/42/53/84/1416425384.db2.gz PQOOLPIGKLVLAV-UHFFFAOYSA-N 2 0 389.584 3.098 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2n1 ZINC000178531884 1429098565 /nfs/dbraw/zinc/09/85/65/1429098565.db2.gz ILHNQLFIPJDXMC-QGZVFWFLSA-N 2 0 376.504 3.377 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(F)cc4cccnc43)cc2)CC1 ZINC000130871758 1416472107 /nfs/dbraw/zinc/47/21/07/1416472107.db2.gz XUUXPYVGKHCNLH-UHFFFAOYSA-N 2 0 378.495 3.411 20 0 GGADRP CCOC(=O)N(C)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000130878994 1416474290 /nfs/dbraw/zinc/47/42/90/1416474290.db2.gz CYMBIIJLGBXZGE-UHFFFAOYSA-N 2 0 389.540 3.214 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000130918198 1416481030 /nfs/dbraw/zinc/48/10/30/1416481030.db2.gz QGIIDHPVGUPEFU-LJQANCHMSA-N 2 0 378.561 3.029 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000130946885 1416486047 /nfs/dbraw/zinc/48/60/47/1416486047.db2.gz LIYZMNLWDIQAFA-OAQYLSRUSA-N 2 0 386.515 3.380 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539255 1429101581 /nfs/dbraw/zinc/10/15/81/1429101581.db2.gz KPPXXVCEEKANDV-SIKLNZKXSA-N 2 0 399.583 3.085 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000131086283 1416506562 /nfs/dbraw/zinc/50/65/62/1416506562.db2.gz BOSIYDGWXGTMNR-FGZHOGPDSA-N 2 0 384.568 3.402 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000131280777 1416534525 /nfs/dbraw/zinc/53/45/25/1416534525.db2.gz FFENARLFUJMVPK-LJQANCHMSA-N 2 0 395.613 3.248 20 0 GGADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cc1ccccc1 ZINC000131292309 1416535733 /nfs/dbraw/zinc/53/57/33/1416535733.db2.gz HTIRWWFXQYVUBJ-UHFFFAOYSA-N 2 0 398.551 3.243 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000131365498 1416545957 /nfs/dbraw/zinc/54/59/57/1416545957.db2.gz KGCRTLRMLMIBQC-UHFFFAOYSA-N 2 0 395.551 3.338 20 0 GGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131379167 1416548162 /nfs/dbraw/zinc/54/81/62/1416548162.db2.gz FYAAKHJJBQCTQA-UYAOXDASSA-N 2 0 398.551 3.341 20 0 GGADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000131384079 1416548823 /nfs/dbraw/zinc/54/88/23/1416548823.db2.gz WIBNRUDMFZAWQW-XOYNAWAESA-N 2 0 387.612 3.413 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000131592309 1416581699 /nfs/dbraw/zinc/58/16/99/1416581699.db2.gz CJQOAAGGSFQNMU-INIZCTEOSA-N 2 0 387.572 3.215 20 0 GGADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1Oc1cccnc1 ZINC000131632010 1416587363 /nfs/dbraw/zinc/58/73/63/1416587363.db2.gz UYPUBMLMTYEBLY-UHFFFAOYSA-N 2 0 385.512 3.139 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000131698976 1416599220 /nfs/dbraw/zinc/59/92/20/1416599220.db2.gz RPWMWIPZXKTYNX-TZIWHRDSSA-N 2 0 398.551 3.406 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000131699606 1416599519 /nfs/dbraw/zinc/59/95/19/1416599519.db2.gz RPWMWIPZXKTYNX-FPOVZHCZSA-N 2 0 398.551 3.406 20 0 GGADRP C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000131765388 1416615567 /nfs/dbraw/zinc/61/55/67/1416615567.db2.gz RXSRRAZKOQOWQU-XMSQKQJNSA-N 2 0 390.572 3.396 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131996093 1416669534 /nfs/dbraw/zinc/66/95/34/1416669534.db2.gz ZVVQVQJJUPMXMU-FRQCXROJSA-N 2 0 396.938 3.255 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000132072065 1416688288 /nfs/dbraw/zinc/68/82/88/1416688288.db2.gz BTNQWYQFRLQXNP-LJQANCHMSA-N 2 0 395.551 3.038 20 0 GGADRP CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C)CC1 ZINC000132496275 1416773045 /nfs/dbraw/zinc/77/30/45/1416773045.db2.gz HBCFQCQZAVRXCX-JOCHJYFZSA-N 2 0 393.019 3.166 20 0 GGADRP C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000132506063 1416774791 /nfs/dbraw/zinc/77/47/91/1416774791.db2.gz WAPPYKSCFQVZSH-SFTDATJTSA-N 2 0 393.531 3.362 20 0 GGADRP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132530707 1416779317 /nfs/dbraw/zinc/77/93/17/1416779317.db2.gz QUXCRFUOAMACGD-PXNSSMCTSA-N 2 0 387.568 3.091 20 0 GGADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC ZINC000132560439 1416785164 /nfs/dbraw/zinc/78/51/64/1416785164.db2.gz NWAYCMLYVAGYAA-AZUAARDMSA-N 2 0 377.573 3.407 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)N1CC[NH+](C)CC1 ZINC000132575586 1416787360 /nfs/dbraw/zinc/78/73/60/1416787360.db2.gz SAJHZGRNDGFZJK-OALUTQOASA-N 2 0 385.474 3.434 20 0 GGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000132580099 1416787683 /nfs/dbraw/zinc/78/76/83/1416787683.db2.gz WFPLFFSIOFDVCP-KRWDZBQOSA-N 2 0 381.520 3.453 20 0 GGADRP CN(C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000132677659 1416802811 /nfs/dbraw/zinc/80/28/11/1416802811.db2.gz BNCPSLQAKUGOLP-DEOSSOPVSA-N 2 0 394.607 3.480 20 0 GGADRP CN(c1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000132787712 1416815072 /nfs/dbraw/zinc/81/50/72/1416815072.db2.gz RAHZIJOGNKBPBJ-UHFFFAOYSA-N 2 0 381.520 3.278 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132808873 1416817401 /nfs/dbraw/zinc/81/74/01/1416817401.db2.gz CZRATIMIUWSYFW-SJORKVTESA-N 2 0 386.540 3.122 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000132861138 1416824451 /nfs/dbraw/zinc/82/44/51/1416824451.db2.gz NVEFXRXRTFUFDA-QYZOEREBSA-N 2 0 387.572 3.027 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132881938 1416826789 /nfs/dbraw/zinc/82/67/89/1416826789.db2.gz SCOFXRYFAZLNQF-OALUTQOASA-N 2 0 398.551 3.151 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882308 1416826850 /nfs/dbraw/zinc/82/68/50/1416826850.db2.gz SCOFXRYFAZLNQF-RBUKOAKNSA-N 2 0 398.551 3.151 20 0 GGADRP Cc1cccc(N2CCC(NC(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000132941625 1416833741 /nfs/dbraw/zinc/83/37/41/1416833741.db2.gz OIVWJRBMPLAFQR-HXUWFJFHSA-N 2 0 387.572 3.169 20 0 GGADRP CCCn1nc(C)c(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)c1C ZINC000133042242 1416845201 /nfs/dbraw/zinc/84/52/01/1416845201.db2.gz YGIFZISYCAENFF-UHFFFAOYSA-N 2 0 383.584 3.337 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC[N@@H+]1C ZINC000133077045 1416849501 /nfs/dbraw/zinc/84/95/01/1416849501.db2.gz KTPOXKYPUBTGRO-MNEFBYGVSA-N 2 0 385.474 3.151 20 0 GGADRP C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000133130531 1416855125 /nfs/dbraw/zinc/85/51/25/1416855125.db2.gz VWCZCJFJAWLYSW-OXJNMPFZSA-N 2 0 399.501 3.399 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133218749 1416866017 /nfs/dbraw/zinc/86/60/17/1416866017.db2.gz IQXTXACPYHAFAT-QGZVFWFLSA-N 2 0 385.508 3.175 20 0 GGADRP Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133310136 1416877347 /nfs/dbraw/zinc/87/73/47/1416877347.db2.gz XXOGBRMJQLJOSP-QFIPXVFZSA-N 2 0 397.563 3.055 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCC4)s3)c2)C1 ZINC000133314793 1416877586 /nfs/dbraw/zinc/87/75/86/1416877586.db2.gz VBRYFRXWZJIQTP-LJQANCHMSA-N 2 0 398.576 3.398 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000133423236 1416888433 /nfs/dbraw/zinc/88/84/33/1416888433.db2.gz NYUYXDOURNLAPI-UHFFFAOYSA-N 2 0 394.563 3.465 20 0 GGADRP CN(c1ccccc1C[NH2+]CCNC(=O)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000133604731 1416916750 /nfs/dbraw/zinc/91/67/50/1416916750.db2.gz SFBIZQVDMFTOCE-UHFFFAOYSA-N 2 0 386.584 3.003 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000133820984 1416970196 /nfs/dbraw/zinc/97/01/96/1416970196.db2.gz MHTNGNDHLTWPBP-UHFFFAOYSA-N 2 0 386.515 3.161 20 0 GGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000133881172 1416987416 /nfs/dbraw/zinc/98/74/16/1416987416.db2.gz IBAPTXDBHJHICD-QGZVFWFLSA-N 2 0 387.499 3.155 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883422 1416987817 /nfs/dbraw/zinc/98/78/17/1416987817.db2.gz NSDYFFLTWULFOZ-MOPGFXCFSA-N 2 0 387.572 3.027 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133887514 1416988736 /nfs/dbraw/zinc/98/87/36/1416988736.db2.gz QSWCYVSBJIUYGQ-GOSISDBHSA-N 2 0 399.535 3.096 20 0 GGADRP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000133900641 1416991225 /nfs/dbraw/zinc/99/12/25/1416991225.db2.gz DWLBPTRHFCATRN-QGZVFWFLSA-N 2 0 387.499 3.155 20 0 GGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000133900446 1416991323 /nfs/dbraw/zinc/99/13/23/1416991323.db2.gz DWLBPTRHFCATRN-KRWDZBQOSA-N 2 0 387.499 3.155 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000133908937 1416992303 /nfs/dbraw/zinc/99/23/03/1416992303.db2.gz ZKOIXJCUXXMRDI-YADHBBJMSA-N 2 0 386.584 3.128 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1F ZINC000134034227 1417012389 /nfs/dbraw/zinc/01/23/89/1417012389.db2.gz OQAOIQNNIQHPBU-IBGZPJMESA-N 2 0 376.520 3.047 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OCC(C)C ZINC000134058725 1417016122 /nfs/dbraw/zinc/01/61/22/1417016122.db2.gz HBLZBMPOQNEBGR-UHFFFAOYSA-N 2 0 376.541 3.274 20 0 GGADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c(OCC[NH+](C)C)c1 ZINC000134073031 1417017916 /nfs/dbraw/zinc/01/79/16/1417017916.db2.gz ZUJZYQYNXGQKBZ-UHFFFAOYSA-N 2 0 388.512 3.124 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000134137043 1417027558 /nfs/dbraw/zinc/02/75/58/1417027558.db2.gz NXAANNGKERHJGN-LEWJYISDSA-N 2 0 378.605 3.118 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000134137290 1417027820 /nfs/dbraw/zinc/02/78/20/1417027820.db2.gz NXAANNGKERHJGN-RTWAWAEBSA-N 2 0 378.605 3.118 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178731764 1429154523 /nfs/dbraw/zinc/15/45/23/1429154523.db2.gz PGUAEQBKZNLYGO-UHFFFAOYSA-N 2 0 391.559 3.336 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000134859320 1417135288 /nfs/dbraw/zinc/13/52/88/1417135288.db2.gz RWKWBFKYUCTOPZ-UHFFFAOYSA-N 2 0 396.000 3.497 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1F ZINC000134992561 1417158005 /nfs/dbraw/zinc/15/80/05/1417158005.db2.gz SSYNWBYAIJDLNT-UHFFFAOYSA-N 2 0 386.515 3.209 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000135028865 1417164801 /nfs/dbraw/zinc/16/48/01/1417164801.db2.gz RJSKPCHKRXFYJP-UHFFFAOYSA-N 2 0 398.526 3.135 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135131054 1417175968 /nfs/dbraw/zinc/17/59/68/1417175968.db2.gz UONBXVQKJSDTHF-PMACEKPBSA-N 2 0 387.568 3.251 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135139846 1417176857 /nfs/dbraw/zinc/17/68/57/1417176857.db2.gz NLDKPWXLWXOUEN-KRWDZBQOSA-N 2 0 378.536 3.199 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135139829 1417177032 /nfs/dbraw/zinc/17/70/32/1417177032.db2.gz NLDKPWXLWXOUEN-QGZVFWFLSA-N 2 0 378.536 3.199 20 0 GGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135259214 1417198460 /nfs/dbraw/zinc/19/84/60/1417198460.db2.gz JMIMXQRHRMIEIW-QUCCMNQESA-N 2 0 393.547 3.062 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135273468 1417200720 /nfs/dbraw/zinc/20/07/20/1417200720.db2.gz KASGPOZHLAPXPH-PXNSSMCTSA-N 2 0 394.531 3.129 20 0 GGADRP CC[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000135343271 1417209916 /nfs/dbraw/zinc/20/99/16/1417209916.db2.gz SUIXUSGZTPNIOH-HNAYVOBHSA-N 2 0 396.938 3.255 20 0 GGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000135385167 1417213513 /nfs/dbraw/zinc/21/35/13/1417213513.db2.gz MQVNSDCGLNFAHJ-KRWDZBQOSA-N 2 0 386.515 3.207 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000135578025 1417239656 /nfs/dbraw/zinc/23/96/56/1417239656.db2.gz RUCSOTWKJGRUEW-UHFFFAOYSA-N 2 0 376.520 3.094 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135641622 1417252477 /nfs/dbraw/zinc/25/24/77/1417252477.db2.gz CZIOBGYVZOSRPR-SIXWZSSISA-N 2 0 396.938 3.113 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cnc(C3CCCC3)s2)c1 ZINC000136026873 1417287177 /nfs/dbraw/zinc/28/71/77/1417287177.db2.gz ODIRSLAPKCVYIN-UHFFFAOYSA-N 2 0 386.565 3.382 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000136170300 1417297307 /nfs/dbraw/zinc/29/73/07/1417297307.db2.gz ZKGLRXRXWLJATD-DYESRHJHSA-N 2 0 398.526 3.350 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000136169480 1417297334 /nfs/dbraw/zinc/29/73/34/1417297334.db2.gz UURLYGANKCLHIX-GOSISDBHSA-N 2 0 378.536 3.055 20 0 GGADRP COc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000136230035 1417303286 /nfs/dbraw/zinc/30/32/86/1417303286.db2.gz SGTZXDGXDLQVEA-UHFFFAOYSA-N 2 0 394.313 3.083 20 0 GGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586901 1417329684 /nfs/dbraw/zinc/32/96/84/1417329684.db2.gz SQHBBTAVMDWGIQ-MOPGFXCFSA-N 2 0 386.458 3.485 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136694716 1417339082 /nfs/dbraw/zinc/33/90/82/1417339082.db2.gz AWGPEQBRXRUHLJ-FQEVSTJZSA-N 2 0 393.959 3.174 20 0 GGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000136780838 1417345899 /nfs/dbraw/zinc/34/58/99/1417345899.db2.gz PUSBTUAIYHENBH-IBGZPJMESA-N 2 0 395.547 3.329 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000136810252 1417347259 /nfs/dbraw/zinc/34/72/59/1417347259.db2.gz RPIGETCCQNBPMJ-BHIYHBOVSA-N 2 0 378.586 3.257 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000136813409 1417347478 /nfs/dbraw/zinc/34/74/78/1417347478.db2.gz RYCYZCUXZORAHA-FSSWDIPSSA-N 2 0 386.584 3.065 20 0 GGADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)c1 ZINC000137055408 1417365710 /nfs/dbraw/zinc/36/57/10/1417365710.db2.gz JKCRNYSDJCWAGS-UHFFFAOYSA-N 2 0 387.568 3.375 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138326918 1417410617 /nfs/dbraw/zinc/41/06/17/1417410617.db2.gz CYRFVLDZBBVBPO-NRFANRHFSA-N 2 0 392.547 3.289 20 0 GGADRP C[NH+](C)CCn1cc(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cn1 ZINC000139656948 1417467577 /nfs/dbraw/zinc/46/75/77/1417467577.db2.gz AZPDUBTWEWKZIO-UHFFFAOYSA-N 2 0 384.528 3.117 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccccc1CN1CCSCC1)[NH+]1CCCCC1 ZINC000139847318 1417476942 /nfs/dbraw/zinc/47/69/42/1417476942.db2.gz BNGKJPUDSADVLB-KRWDZBQOSA-N 2 0 376.570 3.231 20 0 GGADRP C[C@H](CNC(=O)Nc1ccccc1CN1CCSCC1)[NH+]1CCCCC1 ZINC000139847436 1417477075 /nfs/dbraw/zinc/47/70/75/1417477075.db2.gz BNGKJPUDSADVLB-QGZVFWFLSA-N 2 0 376.570 3.231 20 0 GGADRP CC1CC[NH+](CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000139933831 1417481651 /nfs/dbraw/zinc/48/16/51/1417481651.db2.gz JEMLDTWECHNNCH-UHFFFAOYSA-N 2 0 390.597 3.131 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000140072732 1417487708 /nfs/dbraw/zinc/48/77/08/1417487708.db2.gz WFOCWNKPDNXAKF-OAQYLSRUSA-N 2 0 386.515 3.380 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000142217655 1417575586 /nfs/dbraw/zinc/57/55/86/1417575586.db2.gz MZZLOYLNPVZRGG-UHFFFAOYSA-N 2 0 378.586 3.132 20 0 GGADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000178850948 1429195507 /nfs/dbraw/zinc/19/55/07/1429195507.db2.gz ALEDAURMKTVLSV-HNAYVOBHSA-N 2 0 383.458 3.027 20 0 GGADRP CC(C)C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000145615694 1417694411 /nfs/dbraw/zinc/69/44/11/1417694411.db2.gz KUUXEAXAVDTDFM-FQEVSTJZSA-N 2 0 376.614 3.091 20 0 GGADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000178875949 1429206339 /nfs/dbraw/zinc/20/63/39/1429206339.db2.gz FFRMPLNPAYGYON-QHCPKHFHSA-N 2 0 392.547 3.085 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000178876444 1429206823 /nfs/dbraw/zinc/20/68/23/1429206823.db2.gz CFGIDIAAQUATPG-NRFANRHFSA-N 2 0 392.547 3.255 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C[C@@H]4CCC[NH2+]4)cc3)CC2)c1 ZINC000178876491 1429207106 /nfs/dbraw/zinc/20/71/06/1429207106.db2.gz DNFDJLYHRHNQPG-QFIPXVFZSA-N 2 0 392.547 3.398 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000149020860 1417771382 /nfs/dbraw/zinc/77/13/82/1417771382.db2.gz BTBVVVOEVUJKQB-IBGZPJMESA-N 2 0 392.613 3.381 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000178879196 1429208913 /nfs/dbraw/zinc/20/89/13/1429208913.db2.gz IZHHUFVAQYNIGE-QHCPKHFHSA-N 2 0 390.531 3.044 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150759902 1417801625 /nfs/dbraw/zinc/80/16/25/1417801625.db2.gz RNCTWHXBFNLSJC-OAQYLSRUSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000150768557 1417803626 /nfs/dbraw/zinc/80/36/26/1417803626.db2.gz YIAWGPRFHFCMEZ-QGZVFWFLSA-N 2 0 396.526 3.016 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150804171 1417809894 /nfs/dbraw/zinc/80/98/94/1417809894.db2.gz SKZGOGKEBXABCG-HXUWFJFHSA-N 2 0 395.551 3.235 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000150808445 1417811196 /nfs/dbraw/zinc/81/11/96/1417811196.db2.gz QYCXSYDQURJWAB-FPOVZHCZSA-N 2 0 378.605 3.404 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000150808422 1417811236 /nfs/dbraw/zinc/81/12/36/1417811236.db2.gz QYCXSYDQURJWAB-PZJWPPBQSA-N 2 0 378.605 3.404 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000151001608 1417853288 /nfs/dbraw/zinc/85/32/88/1417853288.db2.gz QVHXAUYLMUUXLD-UHFFFAOYSA-N 2 0 396.982 3.059 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 ZINC000151105713 1417873228 /nfs/dbraw/zinc/87/32/28/1417873228.db2.gz WXBQYRNEVNYWCF-ZWKOTPCHSA-N 2 0 381.586 3.100 20 0 GGADRP FC(F)(F)COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000151251596 1417904397 /nfs/dbraw/zinc/90/43/97/1417904397.db2.gz HHVJTXXVKAFYJS-UHFFFAOYSA-N 2 0 387.446 3.100 20 0 GGADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000151347557 1417932097 /nfs/dbraw/zinc/93/20/97/1417932097.db2.gz GQJNJGNDTRGIRF-UHFFFAOYSA-N 2 0 378.398 3.251 20 0 GGADRP Cc1ccc(-n2cc(C[NH2+]CCCN3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151348129 1417932107 /nfs/dbraw/zinc/93/21/07/1417932107.db2.gz JJSQVWPGJCZAIG-UHFFFAOYSA-N 2 0 383.584 3.205 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000151504509 1418006161 /nfs/dbraw/zinc/00/61/61/1418006161.db2.gz OWUPRJLWGSVILJ-XJUOHMSHSA-N 2 0 396.579 3.167 20 0 GGADRP C[C@@H]([NH2+]C1CCCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000151533501 1418016157 /nfs/dbraw/zinc/01/61/57/1418016157.db2.gz JKRRKJLLSDKCMK-QGZVFWFLSA-N 2 0 381.586 3.290 20 0 GGADRP Cc1ccc(-n2cc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151788259 1418086997 /nfs/dbraw/zinc/08/69/97/1418086997.db2.gz KMBPVUKMJWEZOR-IBGZPJMESA-N 2 0 383.584 3.204 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1cccc(Cl)c1 ZINC000151792058 1418087682 /nfs/dbraw/zinc/08/76/82/1418087682.db2.gz DJKJJLJEEOFGAF-OAHLLOKOSA-N 2 0 376.932 3.189 20 0 GGADRP OCC[NH+]1CCC(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000151827547 1418095908 /nfs/dbraw/zinc/09/59/08/1418095908.db2.gz ZQVDIOHZAMTMJE-UHFFFAOYSA-N 2 0 388.502 3.413 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151841788 1418099282 /nfs/dbraw/zinc/09/92/82/1418099282.db2.gz PQEOQIPSEMBBMP-HSZRJFAPSA-N 2 0 386.511 3.412 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000152152046 1418158317 /nfs/dbraw/zinc/15/83/17/1418158317.db2.gz OTPSRTPMGVWSBW-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1n1ccnc1 ZINC000152195196 1418170388 /nfs/dbraw/zinc/17/03/88/1418170388.db2.gz OPMOOLUFWGBDKY-HLAWJBBLSA-N 2 0 381.524 3.313 20 0 GGADRP CS[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000179111130 1429265718 /nfs/dbraw/zinc/26/57/18/1429265718.db2.gz GAYRYKYPNIZQET-OAQYLSRUSA-N 2 0 389.609 3.293 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000179309850 1429323917 /nfs/dbraw/zinc/32/39/17/1429323917.db2.gz YQIVOQLYNOJUIW-UHFFFAOYSA-N 2 0 387.568 3.160 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccccc1F ZINC000179388350 1429353752 /nfs/dbraw/zinc/35/37/52/1429353752.db2.gz RAOVRWLLLSQORC-HXUWFJFHSA-N 2 0 387.499 3.199 20 0 GGADRP CN(Cc1ccccc1F)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390747 1429355552 /nfs/dbraw/zinc/35/55/52/1429355552.db2.gz GMVXXLXIMHSBOB-UHFFFAOYSA-N 2 0 398.526 3.418 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(Cl)cn1 ZINC000179397691 1429359015 /nfs/dbraw/zinc/35/90/15/1429359015.db2.gz MSDXIBXRUXDTDA-UHFFFAOYSA-N 2 0 387.915 3.307 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000179424872 1429369805 /nfs/dbraw/zinc/36/98/05/1429369805.db2.gz OMILTLFIYUBMEZ-HXUWFJFHSA-N 2 0 399.539 3.273 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000179424863 1429370384 /nfs/dbraw/zinc/37/03/84/1429370384.db2.gz OMILTLFIYUBMEZ-FQEVSTJZSA-N 2 0 399.539 3.273 20 0 GGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)c(C)n2n1 ZINC000179442991 1429378712 /nfs/dbraw/zinc/37/87/12/1429378712.db2.gz LYHBPQOCQPVDSD-KRWDZBQOSA-N 2 0 393.535 3.154 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496176 1429394817 /nfs/dbraw/zinc/39/48/17/1429394817.db2.gz LKZXQRITJCZYSQ-XXBNENTESA-N 2 0 395.547 3.469 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496164 1429395270 /nfs/dbraw/zinc/39/52/70/1429395270.db2.gz LKZXQRITJCZYSQ-CVDCTZTESA-N 2 0 395.547 3.469 20 0 GGADRP Clc1cccc(N2CCCC2)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000179684859 1429505934 /nfs/dbraw/zinc/50/59/34/1429505934.db2.gz HCBIDUAUJSWKBD-UHFFFAOYSA-N 2 0 377.960 3.484 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152517934 1422129118 /nfs/dbraw/zinc/12/91/18/1422129118.db2.gz VCLJRWIHYHPPTN-LJQANCHMSA-N 2 0 385.512 3.221 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC000152559503 1422143476 /nfs/dbraw/zinc/14/34/76/1422143476.db2.gz NRPYGFJTAKBQKR-UHFFFAOYSA-N 2 0 379.426 3.347 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[NH+](C4CCCC4)CC3)CC2)CC1 ZINC000152678782 1422205105 /nfs/dbraw/zinc/20/51/05/1422205105.db2.gz PKKBNCWGXUAQRV-UHFFFAOYSA-N 2 0 376.589 3.299 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)CC1 ZINC000152745783 1422234318 /nfs/dbraw/zinc/23/43/18/1422234318.db2.gz OJQLLWVABAYIHE-WCHWRFHJSA-N 2 0 376.589 3.155 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1)C(C)C ZINC000152832098 1422264553 /nfs/dbraw/zinc/26/45/53/1422264553.db2.gz OEVVTAMJPWUBMP-UHFFFAOYSA-N 2 0 396.535 3.330 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246348 1422415540 /nfs/dbraw/zinc/41/55/40/1422415540.db2.gz YIHXAJVLCSATDH-QPPBQGQZSA-N 2 0 387.612 3.420 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246453 1422415832 /nfs/dbraw/zinc/41/58/32/1422415832.db2.gz YIHXAJVLCSATDH-ZJSXRUAMSA-N 2 0 387.612 3.420 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153572486 1422626773 /nfs/dbraw/zinc/62/67/73/1422626773.db2.gz UITJMLDYJFXBPJ-VQIMIIECSA-N 2 0 398.954 3.454 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000153672372 1422696503 /nfs/dbraw/zinc/69/65/03/1422696503.db2.gz NQSUWTHLAYVLIG-LJQANCHMSA-N 2 0 388.512 3.173 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)[C@H](C)C1 ZINC000153920202 1422811059 /nfs/dbraw/zinc/81/10/59/1422811059.db2.gz LSTIBNIBEJIPOR-KNQAVFIVSA-N 2 0 387.568 3.036 20 0 GGADRP OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000154040811 1422830468 /nfs/dbraw/zinc/83/04/68/1422830468.db2.gz ZXNNEUKISUXWHE-ZJSXRUAMSA-N 2 0 385.596 3.256 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000154302783 1422869658 /nfs/dbraw/zinc/86/96/58/1422869658.db2.gz CIBSQEKDPITRIN-QHCPKHFHSA-N 2 0 399.579 3.178 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000154328730 1422873220 /nfs/dbraw/zinc/87/32/20/1422873220.db2.gz JXONAJZYLVPPGD-UHFFFAOYSA-N 2 0 396.982 3.061 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000154460878 1422891420 /nfs/dbraw/zinc/89/14/20/1422891420.db2.gz ZNTCFLVYKKQTIG-SFHVURJKSA-N 2 0 387.572 3.039 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000154474153 1422893572 /nfs/dbraw/zinc/89/35/72/1422893572.db2.gz OBMNHUYOAYTLRA-UHFFFAOYSA-N 2 0 393.019 3.312 20 0 GGADRP COc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000179835982 1429603465 /nfs/dbraw/zinc/60/34/65/1429603465.db2.gz HLWVYEZFGPJFAX-GOSISDBHSA-N 2 0 389.584 3.215 20 0 GGADRP Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC[NH+](C)C)c1 ZINC000154647939 1422982475 /nfs/dbraw/zinc/98/24/75/1422982475.db2.gz LLGYLEHVOJFWIH-UHFFFAOYSA-N 2 0 376.545 3.366 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000154660708 1422989174 /nfs/dbraw/zinc/98/91/74/1422989174.db2.gz XXMPOCQDWVNRLT-HBFSDRIKSA-N 2 0 378.992 3.170 20 0 GGADRP Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000154661659 1422991254 /nfs/dbraw/zinc/99/12/54/1422991254.db2.gz FPIFRIZSCWEBNL-FQEVSTJZSA-N 2 0 384.524 3.360 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cc(F)cc4F)c2)C1 ZINC000154673103 1422996911 /nfs/dbraw/zinc/99/69/11/1422996911.db2.gz VGTABIGBMLZQBL-VGOFRKELSA-N 2 0 399.485 3.439 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154721847 1423011732 /nfs/dbraw/zinc/01/17/32/1423011732.db2.gz MFQSEHXSTWQFNX-UHFFFAOYSA-N 2 0 387.593 3.326 20 0 GGADRP O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000155057184 1423138979 /nfs/dbraw/zinc/13/89/79/1423138979.db2.gz QTDPFXWYSUSING-UHFFFAOYSA-N 2 0 398.511 3.399 20 0 GGADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155142709 1423193465 /nfs/dbraw/zinc/19/34/65/1423193465.db2.gz UZCJKHXIVGVVOP-PBHICJAKSA-N 2 0 384.362 3.221 20 0 GGADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155143023 1423193504 /nfs/dbraw/zinc/19/35/04/1423193504.db2.gz UZCJKHXIVGVVOP-WMLDXEAASA-N 2 0 384.362 3.221 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000179884385 1429624309 /nfs/dbraw/zinc/62/43/09/1429624309.db2.gz AHVUKNRLTKYTOV-OALUTQOASA-N 2 0 382.552 3.408 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000155307821 1423311121 /nfs/dbraw/zinc/31/11/21/1423311121.db2.gz LBFSWFXXYGJCDK-WOJBJXKFSA-N 2 0 376.520 3.088 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155343388 1423325051 /nfs/dbraw/zinc/32/50/51/1423325051.db2.gz HHYDUTXIVRPURR-QHCPKHFHSA-N 2 0 399.579 3.322 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155343480 1423325305 /nfs/dbraw/zinc/32/53/05/1423325305.db2.gz HHYDUTXIVRPURR-HSZRJFAPSA-N 2 0 399.579 3.322 20 0 GGADRP C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000155588541 1423433343 /nfs/dbraw/zinc/43/33/43/1423433343.db2.gz VYNNBUFZNGFITG-AOIWGVFYSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155662712 1423474228 /nfs/dbraw/zinc/47/42/28/1423474228.db2.gz RQNRNHAGHOFOMC-CVDCTZTESA-N 2 0 392.547 3.388 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1O ZINC000155674772 1423480120 /nfs/dbraw/zinc/48/01/20/1423480120.db2.gz LAHWUHSBBLJSTC-SFHVURJKSA-N 2 0 398.389 3.469 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000155676361 1423481678 /nfs/dbraw/zinc/48/16/78/1423481678.db2.gz OTJKIHMWAFCMSN-NRFANRHFSA-N 2 0 393.531 3.466 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000155699968 1423492865 /nfs/dbraw/zinc/49/28/65/1423492865.db2.gz FWZWWJUSJFZVJW-OPYAIIAOSA-N 2 0 378.992 3.170 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000155705180 1423496802 /nfs/dbraw/zinc/49/68/02/1423496802.db2.gz PZAKTHXJZPOLGB-UHFFFAOYSA-N 2 0 378.992 3.315 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000155708156 1423497486 /nfs/dbraw/zinc/49/74/86/1423497486.db2.gz OHQDYWGDAGSVSR-HHHXNRCGSA-N 2 0 386.561 3.434 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000179943202 1429654155 /nfs/dbraw/zinc/65/41/55/1429654155.db2.gz ABXSNBSAQXAQFR-KRWDZBQOSA-N 2 0 390.549 3.271 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000179948171 1429657697 /nfs/dbraw/zinc/65/76/97/1429657697.db2.gz ATSSSOJMSXQPKB-KRWDZBQOSA-N 2 0 390.549 3.271 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000156004790 1423630583 /nfs/dbraw/zinc/63/05/83/1423630583.db2.gz OHEHCIDVTYAFHO-UHFFFAOYSA-N 2 0 395.547 3.399 20 0 GGADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000156225313 1423734851 /nfs/dbraw/zinc/73/48/51/1423734851.db2.gz ADLYUVVDLRAAID-KRWDZBQOSA-N 2 0 384.362 3.221 20 0 GGADRP CC[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156311861 1423771588 /nfs/dbraw/zinc/77/15/88/1423771588.db2.gz NZJIEYDJJOQPFB-DHIUTWEWSA-N 2 0 398.595 3.483 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156311856 1423772307 /nfs/dbraw/zinc/77/23/07/1423772307.db2.gz ZKGNGHSSKNPNDJ-GOSISDBHSA-N 2 0 377.529 3.116 20 0 GGADRP CC1CC[NH+](CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156332917 1423785397 /nfs/dbraw/zinc/78/53/97/1423785397.db2.gz UAKUWUTXKKRGJZ-IFMALSPDSA-N 2 0 386.584 3.413 20 0 GGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156379134 1423801812 /nfs/dbraw/zinc/80/18/12/1423801812.db2.gz FBNZNZNVNPQDEM-VXKWHMMOSA-N 2 0 384.568 3.483 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)ccc1OC ZINC000179982796 1429674625 /nfs/dbraw/zinc/67/46/25/1429674625.db2.gz QOYVBXUIJGIBMA-PXNSSMCTSA-N 2 0 392.540 3.110 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)ccc1OC ZINC000179982759 1429674695 /nfs/dbraw/zinc/67/46/95/1429674695.db2.gz QOYVBXUIJGIBMA-YLJYHZDGSA-N 2 0 392.540 3.110 20 0 GGADRP CCN1CC[NH+]([C@H]2CCN(c3cc(C)[nH+]c4ccc(OC(F)F)cc43)C2)CC1 ZINC000156582231 1423831796 /nfs/dbraw/zinc/83/17/96/1423831796.db2.gz GJWFLLJOVRRUQE-INIZCTEOSA-N 2 0 390.478 3.361 20 0 GGADRP CCN1CC[NH+]([C@@H]2CCN(c3cc(C)[nH+]c4ccc(OC(F)F)cc43)C2)CC1 ZINC000156582117 1423831904 /nfs/dbraw/zinc/83/19/04/1423831904.db2.gz GJWFLLJOVRRUQE-MRXNPFEDSA-N 2 0 390.478 3.361 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000156614751 1423835822 /nfs/dbraw/zinc/83/58/22/1423835822.db2.gz KUUONTGVKOIQAF-GFCCVEGCSA-N 2 0 383.380 3.450 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000156614620 1423835926 /nfs/dbraw/zinc/83/59/26/1423835926.db2.gz KUUONTGVKOIQAF-LBPRGKRZSA-N 2 0 383.380 3.450 20 0 GGADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895054 1423881929 /nfs/dbraw/zinc/88/19/29/1423881929.db2.gz YVSLQGFYNXWOKC-REWPJTCUSA-N 2 0 377.532 3.469 20 0 GGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156929669 1423888477 /nfs/dbraw/zinc/88/84/77/1423888477.db2.gz FQOJYTPZADVCOU-XXBNENTESA-N 2 0 379.548 3.413 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949600 1423891826 /nfs/dbraw/zinc/89/18/26/1423891826.db2.gz CNPAHJPERKAYOI-UTKZUKDTSA-N 2 0 381.520 3.243 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)[C@H](C)C1 ZINC000156982965 1423897293 /nfs/dbraw/zinc/89/72/93/1423897293.db2.gz PSURZWVQTGBJQU-LVCYWYKZSA-N 2 0 389.540 3.431 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)[C@H](C)C1 ZINC000157122765 1423931396 /nfs/dbraw/zinc/93/13/96/1423931396.db2.gz QWHGJWSTAOJIQK-LQWHRVPQSA-N 2 0 389.540 3.431 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157289272 1423976080 /nfs/dbraw/zinc/97/60/80/1423976080.db2.gz VFJZHXKYTFVWFX-OALUTQOASA-N 2 0 387.572 3.171 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157476021 1424018976 /nfs/dbraw/zinc/01/89/76/1424018976.db2.gz QPVQXNOVHORVMJ-AQNXPRMDSA-N 2 0 378.605 3.403 20 0 GGADRP C[NH+](C)[C@@H](CNc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ncn1)c1ccco1 ZINC000157532158 1424031428 /nfs/dbraw/zinc/03/14/28/1424031428.db2.gz YAPVWVXZDVUTBR-HOTGVXAUSA-N 2 0 384.484 3.092 20 0 GGADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000180015439 1429692854 /nfs/dbraw/zinc/69/28/54/1429692854.db2.gz ZAPBXPWBZGDIFG-NQIIRXRSSA-N 2 0 399.645 3.069 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000157567575 1424039526 /nfs/dbraw/zinc/03/95/26/1424039526.db2.gz LECATVBIUXPXON-LJQANCHMSA-N 2 0 390.547 3.067 20 0 GGADRP CCCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000157857832 1424105270 /nfs/dbraw/zinc/10/52/70/1424105270.db2.gz IVKOEKFLEKXHRC-IBGZPJMESA-N 2 0 376.545 3.355 20 0 GGADRP O=C1[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCCN1CC(F)(F)F ZINC000158130859 1424174690 /nfs/dbraw/zinc/17/46/90/1424174690.db2.gz UFDPIBXAGHKROV-GOSISDBHSA-N 2 0 383.458 3.315 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000158205541 1424194691 /nfs/dbraw/zinc/19/46/91/1424194691.db2.gz BIVHCKYWXZEPLJ-AEFFLSMTSA-N 2 0 383.577 3.253 20 0 GGADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000158472559 1424266914 /nfs/dbraw/zinc/26/69/14/1424266914.db2.gz WHQFZOUQKORVPJ-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000158583241 1424295491 /nfs/dbraw/zinc/29/54/91/1424295491.db2.gz QJSOEIYZKJHNNV-KSZLIROESA-N 2 0 381.586 3.003 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158600460 1424299561 /nfs/dbraw/zinc/29/95/61/1424299561.db2.gz NXFSIDSGHLCBNZ-KSZLIROESA-N 2 0 381.586 3.003 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000158959577 1424382472 /nfs/dbraw/zinc/38/24/72/1424382472.db2.gz VGWWKFBBMBZIGL-IBGZPJMESA-N 2 0 392.613 3.237 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000158979041 1424386908 /nfs/dbraw/zinc/38/69/08/1424386908.db2.gz RYWVAAJLHVOEGI-KNQAVFIVSA-N 2 0 386.584 3.413 20 0 GGADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000158994196 1424389595 /nfs/dbraw/zinc/38/95/95/1424389595.db2.gz RYEXBNSVPGBLOE-GOSISDBHSA-N 2 0 397.966 3.126 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCCC1 ZINC000159047252 1424404732 /nfs/dbraw/zinc/40/47/32/1424404732.db2.gz AMFDMAQZBPCOJS-IBGZPJMESA-N 2 0 376.545 3.322 20 0 GGADRP CCc1cc(N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)ncn1 ZINC000159051421 1424405020 /nfs/dbraw/zinc/40/50/20/1424405020.db2.gz JEUHEMPCAIKURQ-GOSISDBHSA-N 2 0 397.567 3.299 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159097372 1424416413 /nfs/dbraw/zinc/41/64/13/1424416413.db2.gz MJMKYJATTNXEQE-GOSISDBHSA-N 2 0 386.540 3.151 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC ZINC000159208502 1424442732 /nfs/dbraw/zinc/44/27/32/1424442732.db2.gz XUQLXNJZURTGBF-GOSISDBHSA-N 2 0 398.551 3.482 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159341801 1424490824 /nfs/dbraw/zinc/49/08/24/1424490824.db2.gz XMVXINGXMSYIJT-UHFFFAOYSA-N 2 0 389.609 3.483 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159821314 1424539002 /nfs/dbraw/zinc/53/90/02/1424539002.db2.gz YZBARDJHBPHKST-QZTJIDSGSA-N 2 0 384.568 3.444 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000159871730 1424546449 /nfs/dbraw/zinc/54/64/49/1424546449.db2.gz MPYLIJSFEOXKPZ-UHFFFAOYSA-N 2 0 380.483 3.342 20 0 GGADRP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000160609391 1424618178 /nfs/dbraw/zinc/61/81/78/1424618178.db2.gz ZZNGRJBUCASNLX-RBUKOAKNSA-N 2 0 398.661 3.497 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCOCC2)cc1Cl ZINC000160683745 1424626562 /nfs/dbraw/zinc/62/65/62/1424626562.db2.gz SSYCNOKMBRZQQB-IEBWSBKVSA-N 2 0 395.975 3.064 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161177844 1424664550 /nfs/dbraw/zinc/66/45/50/1424664550.db2.gz QABBIPYBIHWVLE-GOSISDBHSA-N 2 0 387.572 3.123 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000161516227 1424698399 /nfs/dbraw/zinc/69/83/99/1424698399.db2.gz LRQCIZGCCPLJTL-UHFFFAOYSA-N 2 0 395.547 3.399 20 0 GGADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161617951 1424725231 /nfs/dbraw/zinc/72/52/31/1424725231.db2.gz ZPRRLSDPKBSZHC-UHFFFAOYSA-N 2 0 388.552 3.333 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000161987553 1424806581 /nfs/dbraw/zinc/80/65/81/1424806581.db2.gz RQWQERIFQFRYOF-QGZVFWFLSA-N 2 0 385.531 3.279 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000162432384 1424851048 /nfs/dbraw/zinc/85/10/48/1424851048.db2.gz XMUBUCTXQXWVDR-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000162532745 1424862908 /nfs/dbraw/zinc/86/29/08/1424862908.db2.gz DUOVUCIAVIZQPT-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162565769 1424866499 /nfs/dbraw/zinc/86/64/99/1424866499.db2.gz VITXQIGLKXWPOY-OAHLLOKOSA-N 2 0 394.512 3.020 20 0 GGADRP CN(C)c1ccc(N2CCC([NH2+]Cc3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000162572363 1424867761 /nfs/dbraw/zinc/86/77/61/1424867761.db2.gz NGUOZTHVENLSKM-UHFFFAOYSA-N 2 0 396.579 3.452 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162796913 1424891138 /nfs/dbraw/zinc/89/11/38/1424891138.db2.gz NAMNSSMZXMEBDA-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000162841482 1424895819 /nfs/dbraw/zinc/89/58/19/1424895819.db2.gz GQNCKGITMVNAPO-OAQYLSRUSA-N 2 0 399.583 3.204 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000163063422 1424933812 /nfs/dbraw/zinc/93/38/12/1424933812.db2.gz SYNIBFORENZTEE-VQIMIIECSA-N 2 0 381.586 3.146 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000163072616 1424935322 /nfs/dbraw/zinc/93/53/22/1424935322.db2.gz ZYRASKJKIMUQRI-UHFFFAOYSA-N 2 0 378.536 3.021 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163240059 1424965081 /nfs/dbraw/zinc/96/50/81/1424965081.db2.gz UZJIGKBXDRRZIT-REWPJTCUSA-N 2 0 396.579 3.309 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000180158424 1429769570 /nfs/dbraw/zinc/76/95/70/1429769570.db2.gz OQMFDJCNOXUUBC-OXQOHEQNSA-N 2 0 396.000 3.236 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000163509211 1425010207 /nfs/dbraw/zinc/01/02/07/1425010207.db2.gz XYIFWONFHKHLKF-HXUWFJFHSA-N 2 0 387.568 3.289 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000163517177 1425010586 /nfs/dbraw/zinc/01/05/86/1425010586.db2.gz MTKJYDWYXAFTJZ-CYBMUJFWSA-N 2 0 385.474 3.381 20 0 GGADRP COc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)cc1 ZINC000163518072 1425010744 /nfs/dbraw/zinc/01/07/44/1425010744.db2.gz ZCPAEULWZUZCFY-UXGKSEPASA-N 2 0 385.552 3.259 20 0 GGADRP COc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCCC2)cc1 ZINC000163518180 1425010924 /nfs/dbraw/zinc/01/09/24/1425010924.db2.gz ZCPAEULWZUZCFY-HUDNXNEVSA-N 2 0 385.552 3.259 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000163519128 1425011530 /nfs/dbraw/zinc/01/15/30/1425011530.db2.gz RWQHVKLQSUTCEJ-XMSQKQJNSA-N 2 0 387.568 3.364 20 0 GGADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCC2 ZINC000163520264 1425011608 /nfs/dbraw/zinc/01/16/08/1425011608.db2.gz DWWFYKRIGUQNHB-INIZCTEOSA-N 2 0 392.613 3.299 20 0 GGADRP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000163518494 1425011822 /nfs/dbraw/zinc/01/18/22/1425011822.db2.gz KZFZTZZFUKVPPX-QGZVFWFLSA-N 2 0 375.557 3.363 20 0 GGADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163550613 1425015568 /nfs/dbraw/zinc/01/55/68/1425015568.db2.gz HZFIYRLFGOGEMW-QVKFZJNVSA-N 2 0 375.532 3.275 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000163585332 1425021080 /nfs/dbraw/zinc/02/10/80/1425021080.db2.gz HNJBFVBVQUBVND-QGZVFWFLSA-N 2 0 381.586 3.467 20 0 GGADRP COc1cccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000163639881 1425027490 /nfs/dbraw/zinc/02/74/90/1425027490.db2.gz NEHMLUJTSMFZET-YADHBBJMSA-N 2 0 381.520 3.429 20 0 GGADRP COc1cccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000163639658 1425027576 /nfs/dbraw/zinc/02/75/76/1425027576.db2.gz NEHMLUJTSMFZET-VXKWHMMOSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671421 1425032347 /nfs/dbraw/zinc/03/23/47/1425032347.db2.gz DFRWSBCLDBRZQZ-HYBUGGRVSA-N 2 0 397.563 3.351 20 0 GGADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934449 1425059722 /nfs/dbraw/zinc/05/97/22/1425059722.db2.gz ORFJMWZVVXQRSC-QFIPXVFZSA-N 2 0 386.540 3.151 20 0 GGADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000163930591 1425059937 /nfs/dbraw/zinc/05/99/37/1425059937.db2.gz VGQKPEKUOGVJMV-IBGZPJMESA-N 2 0 381.568 3.342 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cncs1 ZINC000163954250 1425061257 /nfs/dbraw/zinc/06/12/57/1425061257.db2.gz CSLNAUFUXNQGTI-INIZCTEOSA-N 2 0 375.538 3.484 20 0 GGADRP CCn1cc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000163963350 1425062305 /nfs/dbraw/zinc/06/23/05/1425062305.db2.gz WKNOVIYPYPEGRK-GOSISDBHSA-N 2 0 386.540 3.243 20 0 GGADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000163963446 1425062394 /nfs/dbraw/zinc/06/23/94/1425062394.db2.gz WKNOVIYPYPEGRK-SFHVURJKSA-N 2 0 386.540 3.243 20 0 GGADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CCOC1 ZINC000163968333 1425063512 /nfs/dbraw/zinc/06/35/12/1425063512.db2.gz ZMLYIQMNBNCOSJ-KNQAVFIVSA-N 2 0 376.541 3.081 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000164438875 1425111936 /nfs/dbraw/zinc/11/19/36/1425111936.db2.gz DEOVUMPNPKLKIT-INIZCTEOSA-N 2 0 377.529 3.275 20 0 GGADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000164627415 1425130923 /nfs/dbraw/zinc/13/09/23/1425130923.db2.gz YLCRQLYXQXVQCO-QGZVFWFLSA-N 2 0 382.570 3.406 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000164815862 1425144887 /nfs/dbraw/zinc/14/48/87/1425144887.db2.gz DJNQGVQGNCNAIA-FQEVSTJZSA-N 2 0 389.927 3.377 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000164923942 1425151622 /nfs/dbraw/zinc/15/16/22/1425151622.db2.gz GSHAJDQTUHCZGL-NLWGTHIKSA-N 2 0 377.573 3.234 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165284858 1425173454 /nfs/dbraw/zinc/17/34/54/1425173454.db2.gz WRNUNJOKJQXVLP-ROUUACIJSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343485 1425176235 /nfs/dbraw/zinc/17/62/35/1425176235.db2.gz KBTAAFFWYYVVDF-FPOVZHCZSA-N 2 0 375.520 3.483 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343847 1425176370 /nfs/dbraw/zinc/17/63/70/1425176370.db2.gz KBTAAFFWYYVVDF-TZIWHRDSSA-N 2 0 375.520 3.483 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343707 1425176465 /nfs/dbraw/zinc/17/64/65/1425176465.db2.gz KBTAAFFWYYVVDF-PZJWPPBQSA-N 2 0 375.520 3.483 20 0 GGADRP C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579645 1425185741 /nfs/dbraw/zinc/18/57/41/1425185741.db2.gz HRFHGQVQMILADD-QAPCUYQASA-N 2 0 384.490 3.030 20 0 GGADRP CC[N@@H+]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584294 1425185873 /nfs/dbraw/zinc/18/58/73/1425185873.db2.gz RFHVONVLHNGTCS-VQIMIIECSA-N 2 0 398.517 3.277 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587236 1425186071 /nfs/dbraw/zinc/18/60/71/1425186071.db2.gz FYHOVVDUMSIGBQ-GPMSIDNRSA-N 2 0 398.517 3.276 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165586974 1425186107 /nfs/dbraw/zinc/18/61/07/1425186107.db2.gz FYHOVVDUMSIGBQ-MDZRGWNJSA-N 2 0 398.517 3.276 20 0 GGADRP CC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000165578855 1425186352 /nfs/dbraw/zinc/18/63/52/1425186352.db2.gz VCYIYNJHOQLCOC-SFHVURJKSA-N 2 0 395.473 3.432 20 0 GGADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000165600454 1425187356 /nfs/dbraw/zinc/18/73/56/1425187356.db2.gz LJTDPJVNXJYMOG-MRXNPFEDSA-N 3 0 398.517 3.277 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000165933183 1425202226 /nfs/dbraw/zinc/20/22/26/1425202226.db2.gz RNPGYZZNNHCGMR-KBXCAEBGSA-N 2 0 379.936 3.237 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000166007376 1425204809 /nfs/dbraw/zinc/20/48/09/1425204809.db2.gz TXJSUFSQABOLCU-KBXCAEBGSA-N 2 0 379.936 3.237 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000166060817 1425205840 /nfs/dbraw/zinc/20/58/40/1425205840.db2.gz QOBQVIFMOPUIIN-KRWDZBQOSA-N 2 0 385.955 3.390 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1OC ZINC000166183292 1425207866 /nfs/dbraw/zinc/20/78/66/1425207866.db2.gz LNRXXKMFZOIHFE-HXUWFJFHSA-N 2 0 397.519 3.069 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000166183975 1425207891 /nfs/dbraw/zinc/20/78/91/1425207891.db2.gz HYVSUVBBDOXRQT-AYHJJNSGSA-N 2 0 389.540 3.275 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccn1C1CC[NH2+]CC1 ZINC000166211280 1425208389 /nfs/dbraw/zinc/20/83/89/1425208389.db2.gz AVOJWEOWGDKEDD-UHFFFAOYSA-N 2 0 386.565 3.116 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)CC1 ZINC000166440560 1425213172 /nfs/dbraw/zinc/21/31/72/1425213172.db2.gz YZLZMLOFXFIKPB-NRFANRHFSA-N 2 0 383.580 3.278 20 0 GGADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccn1C1CC[NH2+]CC1 ZINC000166693715 1425216834 /nfs/dbraw/zinc/21/68/34/1425216834.db2.gz ICFDBRBHVKKVHW-UHFFFAOYSA-N 2 0 384.549 3.214 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2F)CC1 ZINC000167430901 1425226071 /nfs/dbraw/zinc/22/60/71/1425226071.db2.gz CSTOGQLHLVFSPP-YSSFQJQWSA-N 2 0 388.531 3.215 20 0 GGADRP C[C@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000167544396 1425227358 /nfs/dbraw/zinc/22/73/58/1425227358.db2.gz BYJBROYEWCWUPE-NZQKXSOJSA-N 2 0 391.559 3.477 20 0 GGADRP Fc1ccc(CCN2CCC([NH2+][C@@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168165515 1425235500 /nfs/dbraw/zinc/23/55/00/1425235500.db2.gz MYFPNGJVTQAUCT-HXUWFJFHSA-N 2 0 386.490 3.235 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000168233568 1425237183 /nfs/dbraw/zinc/23/71/83/1425237183.db2.gz RNCLTIQNJUGTIY-UHFFFAOYSA-N 2 0 395.425 3.008 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000168436548 1425237723 /nfs/dbraw/zinc/23/77/23/1425237723.db2.gz KBBNFMTXRDDBDG-UHFFFAOYSA-N 2 0 381.520 3.277 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC000169206826 1425243479 /nfs/dbraw/zinc/24/34/79/1425243479.db2.gz ZPLHZBKEMWRISM-HSZRJFAPSA-N 2 0 392.547 3.118 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000169207869 1425243555 /nfs/dbraw/zinc/24/35/55/1425243555.db2.gz NVILRSJOMGBIOA-VCSGRIEYSA-N 2 0 384.568 3.324 20 0 GGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc21 ZINC000169235731 1425244385 /nfs/dbraw/zinc/24/43/85/1425244385.db2.gz UGRBRGUBOOEVDD-UHFFFAOYSA-N 2 0 379.508 3.181 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000171127215 1425496096 /nfs/dbraw/zinc/49/60/96/1425496096.db2.gz PCRKHOWLAPMPCZ-GOSISDBHSA-N 2 0 379.508 3.449 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000171165836 1425522549 /nfs/dbraw/zinc/52/25/49/1425522549.db2.gz ZCHLUIGVHIBPEW-FQEVSTJZSA-N 2 0 396.539 3.023 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000171165831 1425522657 /nfs/dbraw/zinc/52/26/57/1425522657.db2.gz ZCHLUIGVHIBPEW-HXUWFJFHSA-N 2 0 396.539 3.023 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000171247588 1425566238 /nfs/dbraw/zinc/56/62/38/1425566238.db2.gz XXSHLJNYOUXPCX-HDICACEKSA-N 2 0 388.556 3.101 20 0 GGADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000171296173 1425601637 /nfs/dbraw/zinc/60/16/37/1425601637.db2.gz IKGHOAHJBWVNSL-UHFFFAOYSA-N 2 0 388.533 3.232 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000171304527 1425605680 /nfs/dbraw/zinc/60/56/80/1425605680.db2.gz BARCFFFPPMYVBI-IRXDYDNUSA-N 2 0 393.959 3.490 20 0 GGADRP CC(C)n1ncc2cc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000171303918 1425605740 /nfs/dbraw/zinc/60/57/40/1425605740.db2.gz BBMFBOAEBZUQJF-HDICACEKSA-N 2 0 385.556 3.333 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000171304521 1425606163 /nfs/dbraw/zinc/60/61/63/1425606163.db2.gz BARCFFFPPMYVBI-CALCHBBNSA-N 2 0 393.959 3.490 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000171464390 1425690714 /nfs/dbraw/zinc/69/07/14/1425690714.db2.gz GBMDWWRYTQNLBO-UHFFFAOYSA-N 2 0 390.572 3.079 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[N@H+](C)C3CCCC3)c(C)c2)CC1 ZINC000171650583 1425773705 /nfs/dbraw/zinc/77/37/05/1425773705.db2.gz DHZSQPGAJRSDHT-UHFFFAOYSA-N 2 0 387.572 3.133 20 0 GGADRP Cc1c(Cl)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nc2ccccc12 ZINC000171656868 1425777688 /nfs/dbraw/zinc/77/76/88/1425777688.db2.gz IDBAPUFTADDSOI-UHFFFAOYSA-N 2 0 388.943 3.086 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)CC1 ZINC000171767452 1425815287 /nfs/dbraw/zinc/81/52/87/1425815287.db2.gz ZWBCYWMHOWAQLI-MRXNPFEDSA-N 2 0 394.535 3.143 20 0 GGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000172113459 1425899797 /nfs/dbraw/zinc/89/97/97/1425899797.db2.gz PSOCDBGVIAXHAW-OAQYLSRUSA-N 2 0 388.600 3.359 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000172223607 1425953908 /nfs/dbraw/zinc/95/39/08/1425953908.db2.gz XPAKMQANBCBYSA-QUCCMNQESA-N 2 0 376.589 3.157 20 0 GGADRP CSCC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000172432926 1426042382 /nfs/dbraw/zinc/04/23/82/1426042382.db2.gz OIZNAOZRSKXUJL-SFHVURJKSA-N 2 0 377.598 3.149 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172537251 1426077327 /nfs/dbraw/zinc/07/73/27/1426077327.db2.gz JNGAQTPXZIQHGV-HSZRJFAPSA-N 2 0 398.595 3.353 20 0 GGADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543033 1426080038 /nfs/dbraw/zinc/08/00/38/1426080038.db2.gz BELDZEWWDIFESJ-QFIPXVFZSA-N 2 0 384.568 3.483 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172544360 1426080759 /nfs/dbraw/zinc/08/07/59/1426080759.db2.gz IIADMUGKARGSIR-BGYRXZFFSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172544371 1426080826 /nfs/dbraw/zinc/08/08/26/1426080826.db2.gz IIADMUGKARGSIR-WOJBJXKFSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000172550020 1426082484 /nfs/dbraw/zinc/08/24/84/1426082484.db2.gz MJZBNFCULWJOPN-LJQANCHMSA-N 2 0 384.568 3.093 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccco1 ZINC000172569029 1426091784 /nfs/dbraw/zinc/09/17/84/1426091784.db2.gz NNQIKFVDQBUCME-LJQANCHMSA-N 2 0 376.545 3.322 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)c(C)c2)CC1 ZINC000172613500 1426114122 /nfs/dbraw/zinc/11/41/22/1426114122.db2.gz QXJBEGWAOYBILK-UHFFFAOYSA-N 2 0 380.536 3.451 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172651924 1426128211 /nfs/dbraw/zinc/12/82/11/1426128211.db2.gz HSPPCKTUCIDMFV-UHFFFAOYSA-N 2 0 384.568 3.311 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000173187788 1426383046 /nfs/dbraw/zinc/38/30/46/1426383046.db2.gz ODNKMSGUMHYRMR-QGZVFWFLSA-N 2 0 398.498 3.476 20 0 GGADRP CCc1nc2cc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@H+]3CC)ccc2o1 ZINC000173238558 1426423844 /nfs/dbraw/zinc/42/38/44/1426423844.db2.gz LHCCFKONRGGWTM-KRWDZBQOSA-N 2 0 387.528 3.270 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173250513 1426430361 /nfs/dbraw/zinc/43/03/61/1426430361.db2.gz NHEZZPUPZRPXQH-HXUWFJFHSA-N 2 0 399.583 3.087 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000173323592 1426506478 /nfs/dbraw/zinc/50/64/78/1426506478.db2.gz GZKORVOZBUCXRA-GGAORHGYSA-N 2 0 394.563 3.453 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325551 1426507732 /nfs/dbraw/zinc/50/77/32/1426507732.db2.gz ZXDCQZKFANBZLG-GOSISDBHSA-N 2 0 381.586 3.100 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000173376072 1426548974 /nfs/dbraw/zinc/54/89/74/1426548974.db2.gz LQCITPQNKPRXIP-PKOBYXMFSA-N 2 0 390.597 3.281 20 0 GGADRP C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173605252 1426778305 /nfs/dbraw/zinc/77/83/05/1426778305.db2.gz LIUXMIMPQUAWFP-PSWAGMNNSA-N 4 0 390.660 3.382 20 0 GGADRP C[C@H](CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000173615609 1426794391 /nfs/dbraw/zinc/79/43/91/1426794391.db2.gz SVZSEFGTEOKXFK-HXUWFJFHSA-N 2 0 387.568 3.048 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC4)c2)C1 ZINC000173838059 1426865357 /nfs/dbraw/zinc/86/53/57/1426865357.db2.gz PNLGZLKJTAYTOW-HSZRJFAPSA-N 2 0 377.532 3.162 20 0 GGADRP CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000173864069 1426874663 /nfs/dbraw/zinc/87/46/63/1426874663.db2.gz HDFANKXAOOHWAH-RXVVDRJESA-N 2 0 389.609 3.229 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173923815 1426893768 /nfs/dbraw/zinc/89/37/68/1426893768.db2.gz ZYZSIBKXAHZHKZ-WIYYLYMNSA-N 2 0 395.551 3.080 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC000173928551 1426895969 /nfs/dbraw/zinc/89/59/69/1426895969.db2.gz RYSQPFRHDTVYSM-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000173938558 1426900221 /nfs/dbraw/zinc/90/02/21/1426900221.db2.gz YIKHYVNXWHISFH-UHFFFAOYSA-N 2 0 398.555 3.142 20 0 GGADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000173954589 1426907187 /nfs/dbraw/zinc/90/71/87/1426907187.db2.gz GXEGQQKRYOSMGV-LJQANCHMSA-N 2 0 386.458 3.316 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000173953039 1426907323 /nfs/dbraw/zinc/90/73/23/1426907323.db2.gz RQFGVKHQADNZRP-KRWDZBQOSA-N 2 0 393.959 3.094 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c2ccccc2)CC1 ZINC000173953230 1426907347 /nfs/dbraw/zinc/90/73/47/1426907347.db2.gz MHENEJOWKNBVNU-HXUWFJFHSA-N 2 0 398.555 3.039 20 0 GGADRP COC(=O)c1cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2o1 ZINC000173954744 1426907581 /nfs/dbraw/zinc/90/75/81/1426907581.db2.gz ABZDNPDCSVLQQI-UHFFFAOYSA-N 2 0 386.492 3.296 20 0 GGADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958842 1426909954 /nfs/dbraw/zinc/90/99/54/1426909954.db2.gz CVTFGAKUCDQUMM-HXUWFJFHSA-N 2 0 387.568 3.000 20 0 GGADRP CC1CCC(N(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000173960337 1426911195 /nfs/dbraw/zinc/91/11/95/1426911195.db2.gz RJZAULQXFCTQPF-UHFFFAOYSA-N 2 0 391.600 3.133 20 0 GGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962642 1426912161 /nfs/dbraw/zinc/91/21/61/1426912161.db2.gz CRXBYNDPVATCCG-UXHICEINSA-N 2 0 387.568 3.138 20 0 GGADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962628 1426912244 /nfs/dbraw/zinc/91/22/44/1426912244.db2.gz CRXBYNDPVATCCG-VQTJNVASSA-N 2 0 387.568 3.138 20 0 GGADRP COc1cccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173980457 1426923946 /nfs/dbraw/zinc/92/39/46/1426923946.db2.gz UBYJQPYAZPTNSX-HXUWFJFHSA-N 2 0 381.520 3.478 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000174046971 1426970204 /nfs/dbraw/zinc/97/02/04/1426970204.db2.gz WOVITIOPDDMIFS-OAHLLOKOSA-N 2 0 391.462 3.430 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174049721 1426971832 /nfs/dbraw/zinc/97/18/32/1426971832.db2.gz OELZZGUVMMMGRK-QHCPKHFHSA-N 2 0 392.547 3.217 20 0 GGADRP Cn1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCCCCC3)C2=O)n1 ZINC000174087422 1426995088 /nfs/dbraw/zinc/99/50/88/1426995088.db2.gz ZJONGTWFUKSAFM-NRFANRHFSA-N 2 0 395.551 3.081 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000174093239 1426998174 /nfs/dbraw/zinc/99/81/74/1426998174.db2.gz YLCQZYJPVHXXFA-NRFANRHFSA-N 2 0 387.568 3.459 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174114934 1427008528 /nfs/dbraw/zinc/00/85/28/1427008528.db2.gz OCVGQWMZCNANSZ-IRLDBZIGSA-N 2 0 386.584 3.272 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174114920 1427008599 /nfs/dbraw/zinc/00/85/99/1427008599.db2.gz OCVGQWMZCNANSZ-IFMALSPDSA-N 2 0 386.584 3.272 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174118283 1427010087 /nfs/dbraw/zinc/01/00/87/1427010087.db2.gz FBIITPZYICRUPZ-MSOLQXFVSA-N 2 0 376.570 3.012 20 0 GGADRP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)on1 ZINC000174156368 1427024820 /nfs/dbraw/zinc/02/48/20/1427024820.db2.gz JFTRPZJPUBVNJI-INIZCTEOSA-N 2 0 382.464 3.325 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000174156385 1427024993 /nfs/dbraw/zinc/02/49/93/1427024993.db2.gz ABODXUGALZXWGV-GOSISDBHSA-N 2 0 395.425 3.164 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000174357621 1427118106 /nfs/dbraw/zinc/11/81/06/1427118106.db2.gz CRMDBXUJYIBNSR-UHFFFAOYSA-N 2 0 387.568 3.144 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400609 1427140547 /nfs/dbraw/zinc/14/05/47/1427140547.db2.gz XJIOVRWWIXCLCG-LJQANCHMSA-N 2 0 395.503 3.198 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174405665 1427143534 /nfs/dbraw/zinc/14/35/34/1427143534.db2.gz CDHKQVOOTPPVHD-HXUWFJFHSA-N 2 0 395.975 3.013 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174406374 1427143839 /nfs/dbraw/zinc/14/38/39/1427143839.db2.gz ZCAIYYMBGOBELT-FQEVSTJZSA-N 2 0 395.975 3.015 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174406385 1427143962 /nfs/dbraw/zinc/14/39/62/1427143962.db2.gz ZCAIYYMBGOBELT-HXUWFJFHSA-N 2 0 395.975 3.015 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(-c2ccccc2)nc1C ZINC000174458169 1427165278 /nfs/dbraw/zinc/16/52/78/1427165278.db2.gz ZFVDOFKHTPEHFW-IBGZPJMESA-N 2 0 384.524 3.138 20 0 GGADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715875 1427327493 /nfs/dbraw/zinc/32/74/93/1427327493.db2.gz SUXKLQJLQSXIFB-FQEVSTJZSA-N 2 0 394.563 3.250 20 0 GGADRP Cc1ccccc1NC(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000174780271 1427362737 /nfs/dbraw/zinc/36/27/37/1427362737.db2.gz UUKXWVQFHAPLAY-UHFFFAOYSA-N 2 0 394.563 3.073 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000174781013 1427363561 /nfs/dbraw/zinc/36/35/61/1427363561.db2.gz KXZGAEQPARQRER-QHCPKHFHSA-N 2 0 394.563 3.412 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ncsc2c1 ZINC000174963237 1427469134 /nfs/dbraw/zinc/46/91/34/1427469134.db2.gz UICGNDRDYATQJV-INIZCTEOSA-N 2 0 375.542 3.176 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000174981870 1427478044 /nfs/dbraw/zinc/47/80/44/1427478044.db2.gz XDMCQTQCQHUHLP-WOJBJXKFSA-N 2 0 389.588 3.145 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000175018106 1427501110 /nfs/dbraw/zinc/50/11/10/1427501110.db2.gz ZQBKULPQLKADCR-UHFFFAOYSA-N 2 0 380.492 3.225 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000175060087 1427524948 /nfs/dbraw/zinc/52/49/48/1427524948.db2.gz CPHFYSRAUSSUNG-QHCPKHFHSA-N 2 0 398.595 3.257 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175107513 1427550671 /nfs/dbraw/zinc/55/06/71/1427550671.db2.gz SZLIPRKXLQPOKI-UHFFFAOYSA-N 2 0 399.583 3.275 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000175264948 1427634750 /nfs/dbraw/zinc/63/47/50/1427634750.db2.gz XELJZQZVTCUIPF-NRFANRHFSA-N 2 0 391.556 3.139 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000175482497 1427778718 /nfs/dbraw/zinc/77/87/18/1427778718.db2.gz CIFQIRLWZFFQGV-UNMCSNQZSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614464 1427832576 /nfs/dbraw/zinc/83/25/76/1427832576.db2.gz RENSWVVDWNGNIR-OALUTQOASA-N 2 0 378.605 3.451 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000175629351 1427837879 /nfs/dbraw/zinc/83/78/79/1427837879.db2.gz LAWZJARWWBXULQ-CEMLEFRQSA-N 2 0 384.568 3.309 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175636030 1427839292 /nfs/dbraw/zinc/83/92/92/1427839292.db2.gz CLQPLYGOMNDZOB-CEMLEFRQSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000175643826 1427842046 /nfs/dbraw/zinc/84/20/46/1427842046.db2.gz NOWBNOKIPZBCGE-UXHICEINSA-N 2 0 392.975 3.476 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000175643757 1427842121 /nfs/dbraw/zinc/84/21/21/1427842121.db2.gz NOWBNOKIPZBCGE-VQTJNVASSA-N 2 0 392.975 3.476 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000175691439 1427859805 /nfs/dbraw/zinc/85/98/05/1427859805.db2.gz UQJVMWBZNWAIIV-UHFFFAOYSA-N 2 0 386.584 3.413 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175755648 1427880091 /nfs/dbraw/zinc/88/00/91/1427880091.db2.gz NFMNTMNUSFQNRK-HXUWFJFHSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175761807 1427882749 /nfs/dbraw/zinc/88/27/49/1427882749.db2.gz ZAWWIYBAVDGCAJ-VQTJNVASSA-N 2 0 390.572 3.079 20 0 GGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000175842669 1427924792 /nfs/dbraw/zinc/92/47/92/1427924792.db2.gz UZFOKQCOAHQSJB-UHFFFAOYSA-N 2 0 376.589 3.490 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2scnc2c1 ZINC000175878668 1427947440 /nfs/dbraw/zinc/94/74/40/1427947440.db2.gz VPMROWHDPKQWHA-INIZCTEOSA-N 2 0 375.542 3.176 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2scnc2c1 ZINC000175878645 1427947724 /nfs/dbraw/zinc/94/77/24/1427947724.db2.gz VPMROWHDPKQWHA-MRXNPFEDSA-N 2 0 375.542 3.176 20 0 GGADRP CC[NH+]1CCN([C@@H]2CCN(Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000175906930 1427964305 /nfs/dbraw/zinc/96/43/05/1427964305.db2.gz NLNXRGQMQYSUOZ-OAQYLSRUSA-N 2 0 384.593 3.140 20 0 GGADRP CC[NH+]1CCN([C@H]2CCN(Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000175906950 1427964417 /nfs/dbraw/zinc/96/44/17/1427964417.db2.gz NLNXRGQMQYSUOZ-NRFANRHFSA-N 2 0 384.593 3.140 20 0 GGADRP C[N@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000175965131 1428002035 /nfs/dbraw/zinc/00/20/35/1428002035.db2.gz CRHIZMVYUUYEQS-UHFFFAOYSA-N 2 0 394.563 3.424 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CCSC)cc1 ZINC000176022519 1428032089 /nfs/dbraw/zinc/03/20/89/1428032089.db2.gz BPAFQAYMYNSWPK-HXUWFJFHSA-N 2 0 392.613 3.472 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176044503 1428046656 /nfs/dbraw/zinc/04/66/56/1428046656.db2.gz PGXHMZVIDYDFBQ-RCCFBDPRSA-N 2 0 378.586 3.132 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176102626 1428084143 /nfs/dbraw/zinc/08/41/43/1428084143.db2.gz WWHABTANAPAOSQ-SFHVURJKSA-N 2 0 378.586 3.086 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000176202779 1428164717 /nfs/dbraw/zinc/16/47/17/1428164717.db2.gz ZVSWHKMFTPIQKH-SFHVURJKSA-N 2 0 385.512 3.221 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180182387 1429786625 /nfs/dbraw/zinc/78/66/25/1429786625.db2.gz ZJQARPPBKYYYOF-GOSISDBHSA-N 2 0 392.613 3.456 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180182408 1429786973 /nfs/dbraw/zinc/78/69/73/1429786973.db2.gz ZJQARPPBKYYYOF-SFHVURJKSA-N 2 0 392.613 3.456 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@H](C)O1 ZINC000180312385 1429833536 /nfs/dbraw/zinc/83/35/36/1429833536.db2.gz ONSWQLHDMRDKHH-INDMIFKZSA-N 2 0 383.577 3.111 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180316671 1429834883 /nfs/dbraw/zinc/83/48/83/1429834883.db2.gz CJVMBNZBYRMGPV-UHFFFAOYSA-N 2 0 385.552 3.299 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000180356166 1429845044 /nfs/dbraw/zinc/84/50/44/1429845044.db2.gz MSADGCMMGNDCEN-UHFFFAOYSA-N 2 0 385.556 3.004 20 0 GGADRP C[C@H]1CCC[C@@](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000180358430 1429845373 /nfs/dbraw/zinc/84/53/73/1429845373.db2.gz SCOOWXPGNXGQND-PGRDOPGGSA-N 2 0 387.572 3.108 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000180424511 1429865366 /nfs/dbraw/zinc/86/53/66/1429865366.db2.gz MKHQYQNQZKLLLO-FPOVZHCZSA-N 2 0 387.572 3.202 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180749022 1430016189 /nfs/dbraw/zinc/01/61/89/1430016189.db2.gz YAZCYLLYHFNOBK-JOCHJYFZSA-N 2 0 387.568 3.030 20 0 GGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000180786338 1430039475 /nfs/dbraw/zinc/03/94/75/1430039475.db2.gz POBNJTJAMALTOX-CTNGQTDRSA-N 2 0 386.536 3.304 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180790232 1430041439 /nfs/dbraw/zinc/04/14/39/1430041439.db2.gz RLYTYDBVQMHLBE-UHFFFAOYSA-N 2 0 380.602 3.314 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180797271 1430045846 /nfs/dbraw/zinc/04/58/46/1430045846.db2.gz FBOFSNMSCPYXAZ-UHFFFAOYSA-N 2 0 398.551 3.410 20 0 GGADRP CN(CC[N@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000180951030 1430131437 /nfs/dbraw/zinc/13/14/37/1430131437.db2.gz OQGJNVDIWYLKEJ-UHFFFAOYSA-N 2 0 390.572 3.491 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000180957630 1430135640 /nfs/dbraw/zinc/13/56/40/1430135640.db2.gz CYNWSROPDOAZSL-UHFFFAOYSA-N 2 0 394.563 3.397 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180975414 1430146192 /nfs/dbraw/zinc/14/61/92/1430146192.db2.gz ZAKMWSWANGHTCB-SFHVURJKSA-N 2 0 383.511 3.372 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000180977424 1430148205 /nfs/dbraw/zinc/14/82/05/1430148205.db2.gz DTMLHNCSIKZLNT-JOCHJYFZSA-N 2 0 381.495 3.428 20 0 GGADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC000180977659 1430148292 /nfs/dbraw/zinc/14/82/92/1430148292.db2.gz HHJRFBUSAKALOH-SFHVURJKSA-N 2 0 383.540 3.140 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180984507 1430152412 /nfs/dbraw/zinc/15/24/12/1430152412.db2.gz NFKUYWGRPKXDHL-HXUWFJFHSA-N 2 0 380.492 3.225 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1OC(F)F ZINC000180996188 1430158106 /nfs/dbraw/zinc/15/81/06/1430158106.db2.gz RKHTYSUOVYZHIS-OAHLLOKOSA-N 2 0 391.462 3.430 20 0 GGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180999265 1430159303 /nfs/dbraw/zinc/15/93/03/1430159303.db2.gz ZMKYXHICVSRUNS-NRFANRHFSA-N 2 0 381.520 3.290 20 0 GGADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000181001142 1430161553 /nfs/dbraw/zinc/16/15/53/1430161553.db2.gz MHHFQFYFSQRMIA-KRWDZBQOSA-N 2 0 386.565 3.164 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000181048647 1430185433 /nfs/dbraw/zinc/18/54/33/1430185433.db2.gz YMMZEPQMJQIGNK-LJQANCHMSA-N 2 0 398.551 3.406 20 0 GGADRP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000181287847 1430263488 /nfs/dbraw/zinc/26/34/88/1430263488.db2.gz URMXRZCBQAJMSS-YLJYHZDGSA-N 2 0 397.519 3.092 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181413969 1430292193 /nfs/dbraw/zinc/29/21/93/1430292193.db2.gz DTPOUCLTEWPRBV-NMNUPHIUSA-N 3 0 389.584 3.046 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418569 1430293735 /nfs/dbraw/zinc/29/37/35/1430293735.db2.gz QREDDBADLDBPQS-CZAAIQMYSA-N 2 0 387.524 3.062 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000181518472 1430314074 /nfs/dbraw/zinc/31/40/74/1430314074.db2.gz HKNCVUGNSMDVBV-ZWKOTPCHSA-N 2 0 391.556 3.379 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000181518497 1430314204 /nfs/dbraw/zinc/31/42/04/1430314204.db2.gz HKNCVUGNSMDVBV-ROUUACIJSA-N 2 0 391.556 3.379 20 0 GGADRP CCC[NH+]1CCN(c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2Cl)CC1 ZINC000181535638 1430316945 /nfs/dbraw/zinc/31/69/45/1430316945.db2.gz CVALIUDFUORHKT-UHFFFAOYSA-N 2 0 393.963 3.041 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000181593829 1430325000 /nfs/dbraw/zinc/32/50/00/1430325000.db2.gz SDHCARBFXBAAQW-HXUWFJFHSA-N 2 0 376.545 3.211 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C)c2ccccc2)CC1 ZINC000181626732 1430330181 /nfs/dbraw/zinc/33/01/81/1430330181.db2.gz SELFAEWMAJPXDU-SFHVURJKSA-N 2 0 398.526 3.281 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000181631666 1430331188 /nfs/dbraw/zinc/33/11/88/1430331188.db2.gz RBTBQPKIUKMXBF-IRXDYDNUSA-N 2 0 390.547 3.066 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccccc2)CC1 ZINC000181633939 1430331698 /nfs/dbraw/zinc/33/16/98/1430331698.db2.gz DPIWJONCDLHFRP-QGZVFWFLSA-N 2 0 384.499 3.257 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000181636036 1430332425 /nfs/dbraw/zinc/33/24/25/1430332425.db2.gz LXWYVSOPNJTOQA-KSFYIVLOSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)CC1 ZINC000181641764 1430333416 /nfs/dbraw/zinc/33/34/16/1430333416.db2.gz NIDJMJPHCKIAID-KRWDZBQOSA-N 2 0 398.526 3.178 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCC2 ZINC000181726406 1430348622 /nfs/dbraw/zinc/34/86/22/1430348622.db2.gz IUORWBNAALIMBA-BHDDXSALSA-N 2 0 399.579 3.211 20 0 GGADRP CC(C)(C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000181782279 1430359138 /nfs/dbraw/zinc/35/91/38/1430359138.db2.gz NHDANPLSBZCXJL-NRFANRHFSA-N 2 0 379.548 3.451 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181812285 1430365356 /nfs/dbraw/zinc/36/53/56/1430365356.db2.gz HRSRIECMRPJTQX-TZIWHRDSSA-N 2 0 395.547 3.326 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181812248 1430365575 /nfs/dbraw/zinc/36/55/75/1430365575.db2.gz HRSRIECMRPJTQX-CTNGQTDRSA-N 2 0 395.547 3.326 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000181813276 1430366039 /nfs/dbraw/zinc/36/60/39/1430366039.db2.gz KPIVHVMIOZVKCD-PZJWPPBQSA-N 2 0 395.547 3.326 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000181901771 1430380534 /nfs/dbraw/zinc/38/05/34/1430380534.db2.gz ZEOFWSRQQRAKMB-UHFFFAOYSA-N 2 0 376.545 3.355 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000181972157 1430390320 /nfs/dbraw/zinc/39/03/20/1430390320.db2.gz NKFVMYXNGFVPHG-GOSISDBHSA-N 2 0 380.536 3.243 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C12CCCCC2 ZINC000181975752 1430391000 /nfs/dbraw/zinc/39/10/00/1430391000.db2.gz OMYIWXMXTPXUGM-NHCUHLMSSA-N 2 0 387.568 3.196 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182109443 1430413719 /nfs/dbraw/zinc/41/37/19/1430413719.db2.gz PJVAZOVNDKOJHK-KRWDZBQOSA-N 2 0 381.520 3.453 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182109459 1430413846 /nfs/dbraw/zinc/41/38/46/1430413846.db2.gz PJVAZOVNDKOJHK-QGZVFWFLSA-N 2 0 381.520 3.453 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182187091 1430426633 /nfs/dbraw/zinc/42/66/33/1430426633.db2.gz FSAYZIZHUNLNGV-LJQANCHMSA-N 2 0 375.557 3.054 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182258847 1430438768 /nfs/dbraw/zinc/43/87/68/1430438768.db2.gz SXIPFLQPDNZNDH-XLIONFOSSA-N 2 0 384.520 3.430 20 0 GGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266407 1430439626 /nfs/dbraw/zinc/43/96/26/1430439626.db2.gz CQDCPMVHNKRJOE-RTWAWAEBSA-N 2 0 378.582 3.364 20 0 GGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266429 1430439754 /nfs/dbraw/zinc/43/97/54/1430439754.db2.gz CQDCPMVHNKRJOE-SFTDATJTSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182265910 1430439776 /nfs/dbraw/zinc/43/97/76/1430439776.db2.gz ASBNTNXPIKKESZ-XXBNENTESA-N 3 0 397.563 3.044 20 0 GGADRP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C2CC2)c1 ZINC000182267381 1430440135 /nfs/dbraw/zinc/44/01/35/1430440135.db2.gz VTMKPQORWPKLGR-LADGPHEKSA-N 2 0 380.532 3.373 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273516 1430441107 /nfs/dbraw/zinc/44/11/07/1430441107.db2.gz FABYBWMPPPVITK-CVDCTZTESA-N 3 0 397.563 3.044 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329595 1430449523 /nfs/dbraw/zinc/44/95/23/1430449523.db2.gz RNKXBYHXUOCHRZ-YTQUADARSA-N 2 0 378.586 3.257 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)Cc1ccccc1 ZINC000182330880 1430449688 /nfs/dbraw/zinc/44/96/88/1430449688.db2.gz ZYMUIODBPBGPLV-FKBYEOEOSA-N 2 0 386.584 3.065 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnn1-c1ccccc1C ZINC000182391269 1430458085 /nfs/dbraw/zinc/45/80/85/1430458085.db2.gz RRVCNMXKIJKLDJ-LJQANCHMSA-N 2 0 398.555 3.061 20 0 GGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182401825 1430460652 /nfs/dbraw/zinc/46/06/52/1430460652.db2.gz QDWXSJOPDGNYOC-FPOVZHCZSA-N 2 0 398.595 3.387 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182401842 1430460726 /nfs/dbraw/zinc/46/07/26/1430460726.db2.gz QDWXSJOPDGNYOC-CTNGQTDRSA-N 2 0 398.595 3.387 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182440210 1430468405 /nfs/dbraw/zinc/46/84/05/1430468405.db2.gz MRLOXZCZVKQNOF-MOPGFXCFSA-N 2 0 375.557 3.052 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182448614 1430469519 /nfs/dbraw/zinc/46/95/19/1430469519.db2.gz BXNWWLNPUBGQRJ-LJQANCHMSA-N 2 0 387.572 3.133 20 0 GGADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182471464 1430473569 /nfs/dbraw/zinc/47/35/69/1430473569.db2.gz NCYSACUVMIKOTD-SVFBPWRDSA-N 2 0 398.595 3.385 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000182534668 1430485373 /nfs/dbraw/zinc/48/53/73/1430485373.db2.gz IUVAVILXLFFPFL-NLWGTHIKSA-N 2 0 390.597 3.086 20 0 GGADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000182554080 1430490530 /nfs/dbraw/zinc/49/05/30/1430490530.db2.gz PYYVIVZDRYPLKI-YVWKXTFCSA-N 2 0 378.944 3.337 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)cc1C[NH+]1CCCCC1 ZINC000182568453 1430494153 /nfs/dbraw/zinc/49/41/53/1430494153.db2.gz CQVZJFASTBIRQA-LJQANCHMSA-N 2 0 389.584 3.179 20 0 GGADRP COCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1 ZINC000182614457 1430502820 /nfs/dbraw/zinc/50/28/20/1430502820.db2.gz KYRHLRRKEIVQEN-LJQANCHMSA-N 2 0 389.584 3.443 20 0 GGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000182677377 1430515563 /nfs/dbraw/zinc/51/55/63/1430515563.db2.gz GBGGEFGSGZYPAT-SFHVURJKSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182689865 1430517928 /nfs/dbraw/zinc/51/79/28/1430517928.db2.gz GIRVAHAKTUDLJP-HKUYNNGSSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182690258 1430517992 /nfs/dbraw/zinc/51/79/92/1430517992.db2.gz FKOJFQJVKCJZTA-ROUUACIJSA-N 2 0 376.589 3.346 20 0 GGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000182690254 1430518254 /nfs/dbraw/zinc/51/82/54/1430518254.db2.gz HNWSVRCFNIPQBH-GOSISDBHSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@@H](CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000182694286 1430519635 /nfs/dbraw/zinc/51/96/35/1430519635.db2.gz BSLATBVMHZURBK-SFTDATJTSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000182717280 1430525545 /nfs/dbraw/zinc/52/55/45/1430525545.db2.gz GOWCOVSLZSBHOP-SFHVURJKSA-N 2 0 376.545 3.150 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000182730570 1430529156 /nfs/dbraw/zinc/52/91/56/1430529156.db2.gz OZTFVNPTJZHPNX-UHFFFAOYSA-N 2 0 395.613 3.271 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000182747482 1430532338 /nfs/dbraw/zinc/53/23/38/1430532338.db2.gz OEVFWAQWIOLYPY-UHFFFAOYSA-N 2 0 377.598 3.467 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182801226 1430542707 /nfs/dbraw/zinc/54/27/07/1430542707.db2.gz NZGQVDOKZUVVFC-UHFFFAOYSA-N 2 0 377.548 3.174 20 0 GGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182835897 1430550527 /nfs/dbraw/zinc/55/05/27/1430550527.db2.gz TXOQEVWJNNZXGP-MOPGFXCFSA-N 2 0 376.589 3.299 20 0 GGADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182850010 1430553418 /nfs/dbraw/zinc/55/34/18/1430553418.db2.gz XAYQVUGHZKWCMO-QFIPXVFZSA-N 2 0 390.474 3.399 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182855598 1430554278 /nfs/dbraw/zinc/55/42/78/1430554278.db2.gz ZHICILWTXKTICF-SLFFLAALSA-N 2 0 389.584 3.441 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182925441 1430573330 /nfs/dbraw/zinc/57/33/30/1430573330.db2.gz BKKJYRKKZQBYKF-JZJXAQOMSA-N 2 0 388.600 3.298 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182951335 1430579291 /nfs/dbraw/zinc/57/92/91/1430579291.db2.gz UUCMURUJYKVNOL-UZKOGDIHSA-N 2 0 384.568 3.338 20 0 GGADRP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000182965333 1430582044 /nfs/dbraw/zinc/58/20/44/1430582044.db2.gz MLJDTYWGJQHIJE-HXUWFJFHSA-N 2 0 395.588 3.068 20 0 GGADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182967841 1430582565 /nfs/dbraw/zinc/58/25/65/1430582565.db2.gz OWDOOOWDVYFIQB-FQEVSTJZSA-N 2 0 387.568 3.455 20 0 GGADRP COC(=O)c1oc([C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000182969799 1430582903 /nfs/dbraw/zinc/58/29/03/1430582903.db2.gz GOKIDSNJUNNPFY-KRWDZBQOSA-N 2 0 378.513 3.260 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183000140 1430589084 /nfs/dbraw/zinc/58/90/84/1430589084.db2.gz UXDZFJVZWNGRBG-UXHICEINSA-N 2 0 389.584 3.300 20 0 GGADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183127380 1430622283 /nfs/dbraw/zinc/62/22/83/1430622283.db2.gz JYJQVRSHHWSGPY-BDTNDASRSA-N 2 0 393.579 3.437 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1C[NH+]1CCCCC1 ZINC000183133743 1430624336 /nfs/dbraw/zinc/62/43/36/1430624336.db2.gz JUUGNAMTGHRESF-IAGOWNOFSA-N 2 0 382.570 3.155 20 0 GGADRP C[NH+](C)CCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)ccn1 ZINC000183140088 1430626944 /nfs/dbraw/zinc/62/69/44/1430626944.db2.gz UFGPTHDCSZUONO-UHFFFAOYSA-N 2 0 385.855 3.113 20 0 GGADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183145141 1430628348 /nfs/dbraw/zinc/62/83/48/1430628348.db2.gz BEJUDJGXKRTVJJ-KMDXXIMOSA-N 2 0 391.559 3.479 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226603 1430652593 /nfs/dbraw/zinc/65/25/93/1430652593.db2.gz IXKSMVQWHCVYTI-DLBZAZTESA-N 2 0 377.529 3.275 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226741 1430653500 /nfs/dbraw/zinc/65/35/00/1430653500.db2.gz XKBKRVZUAPKYFD-DLBZAZTESA-N 2 0 375.513 3.044 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000183387200 1430697508 /nfs/dbraw/zinc/69/75/08/1430697508.db2.gz QMERQWTXOSWIHB-INIZCTEOSA-N 2 0 383.492 3.042 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000183398717 1430701715 /nfs/dbraw/zinc/70/17/15/1430701715.db2.gz XYHKVLGQWCYJAE-MRXNPFEDSA-N 2 0 383.492 3.042 20 0 GGADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000183413416 1430705302 /nfs/dbraw/zinc/70/53/02/1430705302.db2.gz GBKVZBNLQCSNRN-UHFFFAOYSA-N 2 0 395.547 3.252 20 0 GGADRP FC(F)(F)CN1CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000183498561 1430728570 /nfs/dbraw/zinc/72/85/70/1430728570.db2.gz JXDCNEHVTNNPEU-UHFFFAOYSA-N 2 0 399.501 3.320 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000183504528 1430730321 /nfs/dbraw/zinc/73/03/21/1430730321.db2.gz VYQXIZNJCCTOCM-XJKSGUPXSA-N 2 0 395.569 3.190 20 0 GGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000183526665 1430735161 /nfs/dbraw/zinc/73/51/61/1430735161.db2.gz BQIKWWAAUMIJJL-QHCPKHFHSA-N 2 0 397.563 3.099 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000183544668 1430739166 /nfs/dbraw/zinc/73/91/66/1430739166.db2.gz FQTAADRUMDXLSL-INIZCTEOSA-N 2 0 387.524 3.187 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000183594593 1430749479 /nfs/dbraw/zinc/74/94/79/1430749479.db2.gz YOKMQILILAMCQW-OAHLLOKOSA-N 2 0 375.513 3.043 20 0 GGADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000183664790 1430766661 /nfs/dbraw/zinc/76/66/61/1430766661.db2.gz AWLHXZVHJYGGKM-DNQXCXABSA-N 2 0 376.500 3.333 20 0 GGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183739689 1430784688 /nfs/dbraw/zinc/78/46/88/1430784688.db2.gz USXXLRYCTLQWJT-DEOSSOPVSA-N 2 0 394.563 3.270 20 0 GGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183739720 1430784757 /nfs/dbraw/zinc/78/47/57/1430784757.db2.gz NOJSVOQRMOMESH-KRWDZBQOSA-N 2 0 383.492 3.201 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000183743433 1430785098 /nfs/dbraw/zinc/78/50/98/1430785098.db2.gz LLYYSNXFVDSMCR-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183819869 1430800895 /nfs/dbraw/zinc/80/08/95/1430800895.db2.gz XOAMDMSSESIUKL-HBFSDRIKSA-N 2 0 395.588 3.255 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000184197727 1430854865 /nfs/dbraw/zinc/85/48/65/1430854865.db2.gz YJLZYFUJZXDUIL-UHFFFAOYSA-N 2 0 388.600 3.063 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000184553431 1430903340 /nfs/dbraw/zinc/90/33/40/1430903340.db2.gz LNGRUKOGRFAZFZ-QFIPXVFZSA-N 2 0 386.584 3.317 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000184752292 1430965976 /nfs/dbraw/zinc/96/59/76/1430965976.db2.gz IRPXVRFCCNUCJJ-IRXDYDNUSA-N 2 0 398.526 3.483 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184885780 1431012578 /nfs/dbraw/zinc/01/25/78/1431012578.db2.gz HWUWQVADAHARGV-HXUWFJFHSA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000184897687 1431015904 /nfs/dbraw/zinc/01/59/04/1431015904.db2.gz WOLQYJNBZJQBAD-JOCHJYFZSA-N 2 0 395.551 3.253 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000184897664 1431016009 /nfs/dbraw/zinc/01/60/09/1431016009.db2.gz WOLQYJNBZJQBAD-QFIPXVFZSA-N 2 0 395.551 3.253 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184913416 1431019884 /nfs/dbraw/zinc/01/98/84/1431019884.db2.gz DBZMYMVBSFKMGU-LJQANCHMSA-N 2 0 387.572 3.072 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000184921049 1431021572 /nfs/dbraw/zinc/02/15/72/1431021572.db2.gz CNQPIIFBPIMIPV-UHFFFAOYSA-N 2 0 387.572 3.167 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnccc3N(C)C)CC2)c1 ZINC000185133160 1431069207 /nfs/dbraw/zinc/06/92/07/1431069207.db2.gz PCERGKGHDDXOME-UHFFFAOYSA-N 2 0 381.568 3.148 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000185136351 1431070150 /nfs/dbraw/zinc/07/01/50/1431070150.db2.gz HOXHTAKZVZQFED-IBGZPJMESA-N 2 0 378.948 3.213 20 0 GGADRP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000185148011 1431072281 /nfs/dbraw/zinc/07/22/81/1431072281.db2.gz AJNMHTYXRJRVPZ-WOJBJXKFSA-N 2 0 396.620 3.028 20 0 GGADRP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000185147975 1431072569 /nfs/dbraw/zinc/07/25/69/1431072569.db2.gz AJNMHTYXRJRVPZ-VQTJNVASSA-N 2 0 396.620 3.028 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170507 1431077037 /nfs/dbraw/zinc/07/70/37/1431077037.db2.gz WOVJWLURSMQFNW-NRFANRHFSA-N 2 0 386.584 3.272 20 0 GGADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)ccc1O ZINC000185210468 1431085853 /nfs/dbraw/zinc/08/58/53/1431085853.db2.gz QVMRJEKZDIYCHS-KRWDZBQOSA-N 2 0 384.362 3.223 20 0 GGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1(C)C ZINC000185242769 1431092104 /nfs/dbraw/zinc/09/21/04/1431092104.db2.gz SHEZUKZECIFXMQ-NHCUHLMSSA-N 2 0 387.568 3.194 20 0 GGADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000185356237 1431124815 /nfs/dbraw/zinc/12/48/15/1431124815.db2.gz QMQJWSKQBCIGGI-SFTDATJTSA-N 2 0 378.582 3.401 20 0 GGADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000185545188 1431168213 /nfs/dbraw/zinc/16/82/13/1431168213.db2.gz ZZXBNQKJYXHVMI-GCJKJVERSA-N 2 0 393.531 3.053 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185661662 1431199272 /nfs/dbraw/zinc/19/92/72/1431199272.db2.gz IIZUCSINHWSMHC-QGZVFWFLSA-N 2 0 386.462 3.044 20 0 GGADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000185880797 1431261147 /nfs/dbraw/zinc/26/11/47/1431261147.db2.gz GKHIYYPVTDBUTN-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000185881675 1431261873 /nfs/dbraw/zinc/26/18/73/1431261873.db2.gz LXCZPSSVATXMHJ-MRXNPFEDSA-N 2 0 383.964 3.253 20 0 GGADRP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000185910317 1431275357 /nfs/dbraw/zinc/27/53/57/1431275357.db2.gz YUMCSYRSUIXZBX-IBGZPJMESA-N 2 0 391.968 3.300 20 0 GGADRP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000185910333 1431275608 /nfs/dbraw/zinc/27/56/08/1431275608.db2.gz YUMCSYRSUIXZBX-LJQANCHMSA-N 2 0 391.968 3.300 20 0 GGADRP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186158947 1431343901 /nfs/dbraw/zinc/34/39/01/1431343901.db2.gz XUMZNSYRSKQPOT-YJBOKZPZSA-N 2 0 387.549 3.305 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186273077 1431368404 /nfs/dbraw/zinc/36/84/04/1431368404.db2.gz HZGYLDNJKPUPFI-FSSWDIPSSA-N 2 0 384.568 3.165 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000186280082 1431370630 /nfs/dbraw/zinc/37/06/30/1431370630.db2.gz XGGOYKBYAJOULO-JOCHJYFZSA-N 2 0 384.568 3.167 20 0 GGADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186324996 1431383013 /nfs/dbraw/zinc/38/30/13/1431383013.db2.gz GGNHHXIDQYOPMR-VXKWHMMOSA-N 2 0 387.568 3.082 20 0 GGADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186324959 1431383077 /nfs/dbraw/zinc/38/30/77/1431383077.db2.gz GGNHHXIDQYOPMR-YADHBBJMSA-N 2 0 387.568 3.082 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000186579607 1431459331 /nfs/dbraw/zinc/45/93/31/1431459331.db2.gz AHHUBELFMKTOQA-UXHICEINSA-N 2 0 383.584 3.474 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000186595432 1431463754 /nfs/dbraw/zinc/46/37/54/1431463754.db2.gz FHNSBXYUZDFVEX-HXUWFJFHSA-N 2 0 397.611 3.345 20 0 GGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000186774636 1431513325 /nfs/dbraw/zinc/51/33/25/1431513325.db2.gz KYOFFPPRZFELHB-IRXDYDNUSA-N 2 0 377.529 3.145 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000186961875 1431577787 /nfs/dbraw/zinc/57/77/87/1431577787.db2.gz KROBIUZEYGEYCJ-GOSISDBHSA-N 2 0 378.582 3.221 20 0 GGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000186981640 1431582159 /nfs/dbraw/zinc/58/21/59/1431582159.db2.gz KPRPWXXLWNLNNU-QAPCUYQASA-N 2 0 398.389 3.386 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003750 1431587159 /nfs/dbraw/zinc/58/71/59/1431587159.db2.gz PRQDINZTTJBEIR-GJZGRUSLSA-N 2 0 384.362 3.140 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000187017183 1431591415 /nfs/dbraw/zinc/59/14/15/1431591415.db2.gz XZACIBBJGLGZFD-QRVBRYPASA-N 2 0 392.609 3.467 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000187092455 1431611763 /nfs/dbraw/zinc/61/17/63/1431611763.db2.gz YTSCWLPTRGMKRQ-PKOBYXMFSA-N 2 0 383.577 3.111 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187134419 1431627042 /nfs/dbraw/zinc/62/70/42/1431627042.db2.gz JVJCNJWVLYDXCI-KDOFPFPSSA-N 2 0 398.473 3.092 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159699 1431634364 /nfs/dbraw/zinc/63/43/64/1431634364.db2.gz HWEYDZNZNSIMEV-HOCLYGCPSA-N 2 0 398.389 3.387 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCSCC1 ZINC000187186634 1431640936 /nfs/dbraw/zinc/64/09/36/1431640936.db2.gz PMSGVHBNTZJYFB-UZLBHIALSA-N 2 0 375.582 3.005 20 0 GGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1O ZINC000187190684 1431641814 /nfs/dbraw/zinc/64/18/14/1431641814.db2.gz OTJCATBRLTZXAE-GDBMZVCRSA-N 2 0 385.346 3.351 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CCS(=O)(=O)CC1 ZINC000187246013 1431663995 /nfs/dbraw/zinc/66/39/95/1431663995.db2.gz SRNYFSGASMKMOA-KRWDZBQOSA-N 2 0 390.549 3.215 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000187668539 1431795175 /nfs/dbraw/zinc/79/51/75/1431795175.db2.gz WFUAYTHPYHPTPX-UHFFFAOYSA-N 2 0 388.899 3.285 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCS2 ZINC000187746616 1431807261 /nfs/dbraw/zinc/80/72/61/1431807261.db2.gz LMEXPKQLGVPWTI-UXHICEINSA-N 2 0 377.598 3.484 20 0 GGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000187987475 1431833879 /nfs/dbraw/zinc/83/38/79/1431833879.db2.gz RMBXLPSOIMJHSB-UTKZUKDTSA-N 2 0 383.511 3.244 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189055761 1432035961 /nfs/dbraw/zinc/03/59/61/1432035961.db2.gz SLEAFBQQNKTUBH-UHFFFAOYSA-N 2 0 383.536 3.446 20 0 GGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2=O)cc1 ZINC000189082399 1432041807 /nfs/dbraw/zinc/04/18/07/1432041807.db2.gz VDHJRXIPNZWDNK-AUSIDOKSSA-N 2 0 395.547 3.387 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000189262859 1432073929 /nfs/dbraw/zinc/07/39/29/1432073929.db2.gz QGSRKDMOJOTNQM-UHFFFAOYSA-N 2 0 379.495 3.169 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519238 1432145313 /nfs/dbraw/zinc/14/53/13/1432145313.db2.gz YSWCQABGDLNMLA-GASCZTMLSA-N 2 0 384.458 3.115 20 0 GGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000189754064 1432224609 /nfs/dbraw/zinc/22/46/09/1432224609.db2.gz UVTARNAVAMBGKA-KRWDZBQOSA-N 2 0 378.586 3.086 20 0 GGADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000190952186 1432536636 /nfs/dbraw/zinc/53/66/36/1432536636.db2.gz FXJUCVBOMLXCQB-UHFFFAOYSA-N 2 0 389.588 3.333 20 0 GGADRP CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000190958262 1432537661 /nfs/dbraw/zinc/53/76/61/1432537661.db2.gz KTXQVNDYAMROCI-KRWDZBQOSA-N 2 0 385.531 3.279 20 0 GGADRP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cnn1C(C)C ZINC000191275988 1432617991 /nfs/dbraw/zinc/61/79/91/1432617991.db2.gz IBDZSJAGAVMXPS-UTKZUKDTSA-N 2 0 397.567 3.321 20 0 GGADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000191390697 1432648808 /nfs/dbraw/zinc/64/88/08/1432648808.db2.gz LAWVWWPSUSSFJG-NRFANRHFSA-N 2 0 375.557 3.257 20 0 GGADRP Cc1ccc(Cl)cc1N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191394898 1432651640 /nfs/dbraw/zinc/65/16/40/1432651640.db2.gz CTUAQBOILIZPRX-UHFFFAOYSA-N 2 0 378.992 3.187 20 0 GGADRP COc1ccccc1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@H]1CCCO1 ZINC000191436560 1432661891 /nfs/dbraw/zinc/66/18/91/1432661891.db2.gz GSHUWBLZENYFSU-JOCHJYFZSA-N 2 0 389.584 3.092 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000191537965 1432679842 /nfs/dbraw/zinc/67/98/42/1432679842.db2.gz KUFNDFXEFFAVKG-VWNXMTODSA-N 2 0 386.628 3.387 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000191537938 1432680082 /nfs/dbraw/zinc/68/00/82/1432680082.db2.gz KUFNDFXEFFAVKG-ISKFKSNPSA-N 2 0 386.628 3.387 20 0 GGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000191975960 1432772635 /nfs/dbraw/zinc/77/26/35/1432772635.db2.gz WFCQHUSHGLJDDU-OYRHEFFESA-N 2 0 381.568 3.171 20 0 GGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C2 ZINC000192444244 1432845211 /nfs/dbraw/zinc/84/52/11/1432845211.db2.gz BEVDFZZPYGLRKR-OAQYLSRUSA-N 2 0 380.532 3.299 20 0 GGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)C2 ZINC000192441984 1432845267 /nfs/dbraw/zinc/84/52/67/1432845267.db2.gz YRMWSVIJOZIWSY-NRFANRHFSA-N 2 0 380.532 3.299 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000192648196 1432871069 /nfs/dbraw/zinc/87/10/69/1432871069.db2.gz ONJLBURCCCRAKF-QZTJIDSGSA-N 2 0 391.556 3.004 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000192694766 1432876450 /nfs/dbraw/zinc/87/64/50/1432876450.db2.gz PXXKNAHDVUAGAO-UHFFFAOYSA-N 2 0 387.572 3.178 20 0 GGADRP COCCN(CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1Cl ZINC000192736884 1432882385 /nfs/dbraw/zinc/88/23/85/1432882385.db2.gz ZYRINKHQCLLCAK-UHFFFAOYSA-N 2 0 385.955 3.344 20 0 GGADRP CC(C)C1CCC([NH+]2CCN(CCCN3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000192755231 1432885209 /nfs/dbraw/zinc/88/52/09/1432885209.db2.gz FNIUSDBBRUBHAA-UHFFFAOYSA-N 2 0 378.649 3.235 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000192759425 1432885777 /nfs/dbraw/zinc/88/57/77/1432885777.db2.gz OFDCTMKPMUBIKK-JOCHJYFZSA-N 3 0 378.649 3.379 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192792259 1432891839 /nfs/dbraw/zinc/89/18/39/1432891839.db2.gz HCSQGYIUKUSGMD-JXFKEZNVSA-N 2 0 393.934 3.463 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)CCC2 ZINC000192823736 1432895168 /nfs/dbraw/zinc/89/51/68/1432895168.db2.gz CFVSOEDQZJDDQI-SJLPKXTDSA-N 2 0 391.556 3.005 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)CCC2 ZINC000192823752 1432895175 /nfs/dbraw/zinc/89/51/75/1432895175.db2.gz CFVSOEDQZJDDQI-WMZOPIPTSA-N 2 0 391.556 3.005 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCNc4ccccc43)c2)C1 ZINC000192846364 1432898368 /nfs/dbraw/zinc/89/83/68/1432898368.db2.gz ZKGFAVMMVSJWDA-NZQKXSOJSA-N 2 0 392.547 3.421 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848505 1432898566 /nfs/dbraw/zinc/89/85/66/1432898566.db2.gz SDZVIQXPFAZPKT-WOJBJXKFSA-N 2 0 383.939 3.315 20 0 GGADRP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929926 1432909526 /nfs/dbraw/zinc/90/95/26/1432909526.db2.gz IFDITCBEDLHOOS-RXVVDRJESA-N 2 0 382.504 3.239 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000192958351 1432913051 /nfs/dbraw/zinc/91/30/51/1432913051.db2.gz PBDDZYAPJSDNGT-HSZRJFAPSA-N 2 0 394.563 3.296 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1CCc2sccc2C1 ZINC000192959295 1432913437 /nfs/dbraw/zinc/91/34/37/1432913437.db2.gz QVZACBIFDAEVLT-VQIMIIECSA-N 2 0 386.565 3.097 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000193014965 1432922315 /nfs/dbraw/zinc/92/23/15/1432922315.db2.gz LIPNOVDQOVUXBR-UHFFFAOYSA-N 2 0 382.533 3.440 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCO[C@@H]2CCCCO2)CC1 ZINC000193088037 1432934518 /nfs/dbraw/zinc/93/45/18/1432934518.db2.gz SZSWOWPLCRWAJR-LAUBAEHRSA-N 2 0 379.520 3.161 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000193131507 1432941517 /nfs/dbraw/zinc/94/15/17/1432941517.db2.gz MRNBZYRTGVSOFZ-HXUWFJFHSA-N 2 0 384.524 3.190 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193307516 1432976871 /nfs/dbraw/zinc/97/68/71/1432976871.db2.gz RFVDZLSKPLGQDH-FQEVSTJZSA-N 2 0 386.584 3.257 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193382792 1432988373 /nfs/dbraw/zinc/98/83/73/1432988373.db2.gz JHGOKGIKMZTDLX-UHFFFAOYSA-N 2 0 384.568 3.133 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c(C)c2)CC1 ZINC000193513888 1433012262 /nfs/dbraw/zinc/01/22/62/1433012262.db2.gz AVEJLQCKSBTQIM-UHFFFAOYSA-N 2 0 399.583 3.133 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193619245 1433029947 /nfs/dbraw/zinc/02/99/47/1433029947.db2.gz JOTSLCPOOYAFCK-SFHVURJKSA-N 2 0 376.570 3.059 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193619231 1433030013 /nfs/dbraw/zinc/03/00/13/1433030013.db2.gz JOTSLCPOOYAFCK-GOSISDBHSA-N 2 0 376.570 3.059 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193719126 1433046508 /nfs/dbraw/zinc/04/65/08/1433046508.db2.gz OXDIBCGAVURGGZ-UHFFFAOYSA-N 2 0 387.572 3.131 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193719855 1433046847 /nfs/dbraw/zinc/04/68/47/1433046847.db2.gz PCMNNCSOIAXGII-WOJBJXKFSA-N 2 0 386.584 3.113 20 0 GGADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000193762697 1433054836 /nfs/dbraw/zinc/05/48/36/1433054836.db2.gz DMMMBTYCFPUEQQ-UHFFFAOYSA-N 2 0 376.589 3.158 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)C1 ZINC000193907628 1433082661 /nfs/dbraw/zinc/08/26/61/1433082661.db2.gz RJRJFMOBQKQWDC-JOCHJYFZSA-N 2 0 397.588 3.407 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926483 1433086178 /nfs/dbraw/zinc/08/61/78/1433086178.db2.gz RXDIFRLJCQNKJU-IRLDBZIGSA-N 2 0 380.536 3.111 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193928456 1433086352 /nfs/dbraw/zinc/08/63/52/1433086352.db2.gz TYUSMPZDYXCXCP-SFTDATJTSA-N 2 0 396.535 3.238 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000193958829 1433092262 /nfs/dbraw/zinc/09/22/62/1433092262.db2.gz FQGHVZHYYVYGKS-DNVJHFABSA-N 2 0 383.580 3.444 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194020794 1433102184 /nfs/dbraw/zinc/10/21/84/1433102184.db2.gz LFOYFOSPHLWISN-IRLDBZIGSA-N 2 0 386.584 3.320 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000194069685 1433111440 /nfs/dbraw/zinc/11/14/40/1433111440.db2.gz YFPLXTASMAJJRD-UGKGYDQZSA-N 2 0 398.526 3.250 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194188699 1433134687 /nfs/dbraw/zinc/13/46/87/1433134687.db2.gz YVFJDMBCBJUGBL-QFIPXVFZSA-N 2 0 386.584 3.464 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194265130 1433151892 /nfs/dbraw/zinc/15/18/92/1433151892.db2.gz SLLXNPMJJQPPQC-YADHBBJMSA-N 2 0 386.584 3.176 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000194305911 1433158553 /nfs/dbraw/zinc/15/85/53/1433158553.db2.gz GNFASVUIUQLVJC-UHFFFAOYSA-N 2 0 384.568 3.072 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000194306142 1433158855 /nfs/dbraw/zinc/15/88/55/1433158855.db2.gz QAEHVHGSTJRTSZ-UHFFFAOYSA-N 2 0 386.584 3.461 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136330 1433297552 /nfs/dbraw/zinc/29/75/52/1433297552.db2.gz DTQOMZKAPRVFAQ-SFLYRZDNSA-N 2 0 378.564 3.404 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136962 1433297701 /nfs/dbraw/zinc/29/77/01/1433297701.db2.gz SAKUSQFROFNARG-MJGOQNOKSA-N 2 0 387.549 3.231 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136984 1433297797 /nfs/dbraw/zinc/29/77/97/1433297797.db2.gz SAKUSQFROFNARG-IEBWSBKVSA-N 2 0 387.549 3.231 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000195224731 1433309173 /nfs/dbraw/zinc/30/91/73/1433309173.db2.gz MSRYLCUJZWAECS-UHFFFAOYSA-N 2 0 387.572 3.133 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195270541 1433313809 /nfs/dbraw/zinc/31/38/09/1433313809.db2.gz ALSQIKUXRPARFJ-UHFFFAOYSA-N 2 0 383.540 3.191 20 0 GGADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000195306393 1433317388 /nfs/dbraw/zinc/31/73/88/1433317388.db2.gz DPTNCCNPGNALRS-UHFFFAOYSA-N 2 0 390.959 3.295 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2F)CC1 ZINC000195457195 1433331906 /nfs/dbraw/zinc/33/19/06/1433331906.db2.gz GIFCQSKEDNZBEW-UHFFFAOYSA-N 2 0 388.531 3.169 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)cc1)C(C)C ZINC000195459358 1433332480 /nfs/dbraw/zinc/33/24/80/1433332480.db2.gz MMHQDQCWONYOEU-OAQYLSRUSA-N 2 0 375.557 3.004 20 0 GGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000195562938 1433339503 /nfs/dbraw/zinc/33/95/03/1433339503.db2.gz JNGDKRKDVGDZLM-WOJBJXKFSA-N 2 0 386.584 3.450 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000195601123 1433341288 /nfs/dbraw/zinc/34/12/88/1433341288.db2.gz HQHPVCWDKQOLTK-HXUWFJFHSA-N 2 0 378.536 3.382 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000215246795 1433361778 /nfs/dbraw/zinc/36/17/78/1433361778.db2.gz DRASIGYARWBYTP-PKTZIBPZSA-N 2 0 377.532 3.432 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000227379008 1433369641 /nfs/dbraw/zinc/36/96/41/1433369641.db2.gz VDWVQZYKVMACDS-UEVCKROQSA-N 2 0 392.547 3.396 20 0 GGADRP CC(C)(CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236639593 1433375041 /nfs/dbraw/zinc/37/50/41/1433375041.db2.gz SUDIZQCLCQGTCV-UHFFFAOYSA-N 2 0 391.559 3.261 20 0 GGADRP CC(C)[C@@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[NH+]1CCCCC1 ZINC000236661939 1433375559 /nfs/dbraw/zinc/37/55/59/1433375559.db2.gz IJWKDBLROGQZPI-FQEVSTJZSA-N 2 0 387.524 3.044 20 0 GGADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000236667218 1433375636 /nfs/dbraw/zinc/37/56/36/1433375636.db2.gz GYDUHAZOICTDLZ-UHFFFAOYSA-N 2 0 379.548 3.464 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000236698632 1433376549 /nfs/dbraw/zinc/37/65/49/1433376549.db2.gz URBYNQJCJHNTDD-UHFFFAOYSA-N 2 0 395.547 3.145 20 0 GGADRP CCC[NH+]1CCN(c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2Cl)CC1 ZINC000236805359 1433378980 /nfs/dbraw/zinc/37/89/80/1433378980.db2.gz HKTHRZHRCPVBHS-UHFFFAOYSA-N 2 0 378.948 3.200 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000236898230 1433382602 /nfs/dbraw/zinc/38/26/02/1433382602.db2.gz HVKPMNWCNUPDPV-ROUUACIJSA-N 2 0 385.556 3.342 20 0 GGADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236934017 1433383536 /nfs/dbraw/zinc/38/35/36/1433383536.db2.gz UFVLAOQEGSOVNV-UHFFFAOYSA-N 2 0 379.548 3.466 20 0 GGADRP CC[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236951048 1433383759 /nfs/dbraw/zinc/38/37/59/1433383759.db2.gz MXBWTFYDLMTEBM-QHCPKHFHSA-N 2 0 391.559 3.261 20 0 GGADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236994789 1433385505 /nfs/dbraw/zinc/38/55/05/1433385505.db2.gz DTVCOZAHSREGST-XXBNENTESA-N 2 0 394.563 3.316 20 0 GGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc21 ZINC000237010212 1433385757 /nfs/dbraw/zinc/38/57/57/1433385757.db2.gz ICZPWBKXKYLFDH-UHFFFAOYSA-N 2 0 390.531 3.463 20 0 GGADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237009970 1433385772 /nfs/dbraw/zinc/38/57/72/1433385772.db2.gz JWQCNCVKZNSQMY-LJQANCHMSA-N 2 0 378.580 3.425 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)cn2)CC1 ZINC000237035211 1433386488 /nfs/dbraw/zinc/38/64/88/1433386488.db2.gz PYHMEZFQTMFEPR-UHFFFAOYSA-N 2 0 394.441 3.064 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000237089871 1433388656 /nfs/dbraw/zinc/38/86/56/1433388656.db2.gz ZCAXTOOYTIKBQO-UHFFFAOYSA-N 2 0 379.548 3.437 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2F)CC1 ZINC000237090304 1433388677 /nfs/dbraw/zinc/38/86/77/1433388677.db2.gz LUQJBXNYJXRYHM-OAQYLSRUSA-N 2 0 396.510 3.009 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc2)CC1 ZINC000237096998 1433388937 /nfs/dbraw/zinc/38/89/37/1433388937.db2.gz LSFKAGAQRZLLRM-QHCPKHFHSA-N 2 0 392.547 3.290 20 0 GGADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237112675 1433389476 /nfs/dbraw/zinc/38/94/76/1433389476.db2.gz JWQCNCVKZNSQMY-IBGZPJMESA-N 2 0 378.580 3.425 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237117190 1433389821 /nfs/dbraw/zinc/38/98/21/1433389821.db2.gz KTIVVKVJDUFFCX-JQHSSLGASA-N 2 0 383.458 3.347 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237193563 1433391873 /nfs/dbraw/zinc/39/18/73/1433391873.db2.gz LOEBNIOPIOIQRM-HSZRJFAPSA-N 2 0 377.532 3.244 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237193653 1433392008 /nfs/dbraw/zinc/39/20/08/1433392008.db2.gz LSJYMTNFZFXSOG-QHCPKHFHSA-N 2 0 377.532 3.072 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237198371 1433392316 /nfs/dbraw/zinc/39/23/16/1433392316.db2.gz KUQFZYGHXYBQDY-NHCUHLMSSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000237244554 1433393872 /nfs/dbraw/zinc/39/38/72/1433393872.db2.gz OPTFKUXWUNTXJW-FGTMMUONSA-N 2 0 391.556 3.379 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237286742 1433395692 /nfs/dbraw/zinc/39/56/92/1433395692.db2.gz XISDMAPRYWCUQS-WIYYLYMNSA-N 2 0 387.568 3.049 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237286812 1433395775 /nfs/dbraw/zinc/39/57/75/1433395775.db2.gz CJYMMFROWQVMNF-JOCHJYFZSA-N 2 0 381.520 3.114 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237287127 1433396002 /nfs/dbraw/zinc/39/60/02/1433396002.db2.gz DSYKEBPSEPRCFV-MBSDFSHPSA-N 2 0 395.547 3.360 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237313167 1433396903 /nfs/dbraw/zinc/39/69/03/1433396903.db2.gz HNDATGZFSUSXFG-BULFRSBZSA-N 2 0 381.520 3.284 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000237313922 1433396972 /nfs/dbraw/zinc/39/69/72/1433396972.db2.gz HNDATGZFSUSXFG-VOQZNFBZSA-N 2 0 381.520 3.284 20 0 GGADRP COc1ccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237324520 1433397406 /nfs/dbraw/zinc/39/74/06/1433397406.db2.gz YWTPWNMUCKNPHF-YADHBBJMSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237325687 1433397482 /nfs/dbraw/zinc/39/74/82/1433397482.db2.gz KBYXQGHZJGYMCF-VXKWHMMOSA-N 2 0 381.520 3.081 20 0 GGADRP CSCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237336541 1433397921 /nfs/dbraw/zinc/39/79/21/1433397921.db2.gz GPPBKLAQZDPKKG-NRFANRHFSA-N 2 0 398.576 3.028 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237344105 1433398157 /nfs/dbraw/zinc/39/81/57/1433398157.db2.gz JZTDUWNJRGMRDJ-JPYJTQIMSA-N 2 0 377.532 3.392 20 0 GGADRP Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nnn1C1CC[NH2+]CC1 ZINC000237354953 1433398855 /nfs/dbraw/zinc/39/88/55/1433398855.db2.gz GYODPGHQMPYPRS-MRXNPFEDSA-N 2 0 396.539 3.138 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCCN3CC[NH+](C)CC3)cc2)c1 ZINC000237357413 1433399040 /nfs/dbraw/zinc/39/90/40/1433399040.db2.gz DLHROOVGAALWRS-UHFFFAOYSA-N 2 0 399.535 3.223 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237366845 1433399306 /nfs/dbraw/zinc/39/93/06/1433399306.db2.gz SDFRVLQHEFUSAX-AZUAARDMSA-N 2 0 386.584 3.429 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237400861 1433400927 /nfs/dbraw/zinc/40/09/27/1433400927.db2.gz QANBHYUXEUHQPK-KNKQGSTJSA-N 2 0 387.568 3.205 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1CC[NH2+]CC1 ZINC000237413983 1433401908 /nfs/dbraw/zinc/40/19/08/1433401908.db2.gz QFRSTQLYHHFDQH-SFHVURJKSA-N 2 0 384.568 3.183 20 0 GGADRP COc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237486880 1433405883 /nfs/dbraw/zinc/40/58/83/1433405883.db2.gz YWTPWNMUCKNPHF-FGZHOGPDSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237486941 1433405952 /nfs/dbraw/zinc/40/59/52/1433405952.db2.gz YWTPWNMUCKNPHF-FCHUYYIVSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000237492964 1433406253 /nfs/dbraw/zinc/40/62/53/1433406253.db2.gz YPFYULLFKARISZ-KVSKMBFKSA-N 2 0 383.458 3.027 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237528125 1433408210 /nfs/dbraw/zinc/40/82/10/1433408210.db2.gz MNKOOSGNLRIZQG-MBSDFSHPSA-N 2 0 377.532 3.392 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@@H](C)O1 ZINC000237577645 1433410739 /nfs/dbraw/zinc/41/07/39/1433410739.db2.gz KXUCSMVEUBQIFE-QZTJIDSGSA-N 2 0 391.519 3.371 20 0 GGADRP COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000237584725 1433411145 /nfs/dbraw/zinc/41/11/45/1433411145.db2.gz XWPZLBWPLBDTIH-HXUWFJFHSA-N 2 0 382.504 3.263 20 0 GGADRP C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC[NH2+]CC1 ZINC000237599417 1433411879 /nfs/dbraw/zinc/41/18/79/1433411879.db2.gz ABQOZQVBESAMRU-MRXNPFEDSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000237609424 1433412187 /nfs/dbraw/zinc/41/21/87/1433412187.db2.gz ZVRBATKKGCSGPL-XQBPLPMBSA-N 2 0 376.541 3.223 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237605498 1433412421 /nfs/dbraw/zinc/41/24/21/1433412421.db2.gz QANBHYUXEUHQPK-JQVVWYNYSA-N 2 0 387.568 3.205 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237630842 1433413604 /nfs/dbraw/zinc/41/36/04/1433413604.db2.gz QZJRWWSFMINDJJ-SVMVAKDDSA-N 2 0 381.520 3.002 20 0 GGADRP C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237631449 1433413676 /nfs/dbraw/zinc/41/36/76/1433413676.db2.gz DPVMVMJZLJENBY-ISJRUSPKSA-N 2 0 395.547 3.248 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237684672 1433417161 /nfs/dbraw/zinc/41/71/61/1433417161.db2.gz WTJLWTQNIMMHAC-OAQYLSRUSA-N 2 0 383.923 3.135 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)N1c1ccccc1 ZINC000237696532 1433417726 /nfs/dbraw/zinc/41/77/26/1433417726.db2.gz UILOEIHBFALBRJ-WMZHIEFXSA-N 2 0 393.531 3.445 20 0 GGADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237717626 1433418611 /nfs/dbraw/zinc/41/86/11/1433418611.db2.gz IWRMFTIYDNIQPO-GOSISDBHSA-N 2 0 395.469 3.129 20 0 GGADRP C[C@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000237714955 1433418710 /nfs/dbraw/zinc/41/87/10/1433418710.db2.gz WIFKORJLFWQQCJ-UGKGYDQZSA-N 2 0 377.532 3.087 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237754881 1433421094 /nfs/dbraw/zinc/42/10/94/1433421094.db2.gz PKWGYGGTRQGXBN-UHFFFAOYSA-N 2 0 393.959 3.079 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@H](C)O1 ZINC000237781126 1433423761 /nfs/dbraw/zinc/42/37/61/1433423761.db2.gz KXUCSMVEUBQIFE-ROUUACIJSA-N 2 0 391.519 3.371 20 0 GGADRP Cc1ccc(COc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000237816519 1433425658 /nfs/dbraw/zinc/42/56/58/1433425658.db2.gz BHCXSGIPVWYTCQ-QFIPXVFZSA-N 2 0 395.547 3.251 20 0 GGADRP Cc1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237824523 1433426548 /nfs/dbraw/zinc/42/65/48/1433426548.db2.gz SKRWCAHMCCTMBJ-OAQYLSRUSA-N 2 0 379.504 3.123 20 0 GGADRP [NH3+]C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237832841 1433427614 /nfs/dbraw/zinc/42/76/14/1433427614.db2.gz UZUCLPHVVJSISN-OALUTQOASA-N 2 0 391.437 3.138 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCCO4)CC2)c1 ZINC000237855873 1433429211 /nfs/dbraw/zinc/42/92/11/1433429211.db2.gz ZQVMTIALGJEVJH-UHFFFAOYSA-N 2 0 395.547 3.458 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000237856172 1433429617 /nfs/dbraw/zinc/42/96/17/1433429617.db2.gz AVOQXWMVCRVHEB-UHFFFAOYSA-N 2 0 377.536 3.335 20 0 GGADRP O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237904061 1433433270 /nfs/dbraw/zinc/43/32/70/1433433270.db2.gz WAIIKFJJHMSHFG-NRFANRHFSA-N 2 0 383.580 3.422 20 0 GGADRP O=C(N1CCC[N@H+](Cc2ccccc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237903870 1433433360 /nfs/dbraw/zinc/43/33/60/1433433360.db2.gz AYOKFXWWCYZCOI-UHFFFAOYSA-N 2 0 377.532 3.042 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237907627 1433433655 /nfs/dbraw/zinc/43/36/55/1433433655.db2.gz VFMAMGNFTQUISB-LJQANCHMSA-N 2 0 383.561 3.323 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000237947839 1433436567 /nfs/dbraw/zinc/43/65/67/1433436567.db2.gz BQVFWIOJVIYLIS-HXUWFJFHSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000237953215 1433436819 /nfs/dbraw/zinc/43/68/19/1433436819.db2.gz ONFPQJDOIWSOFF-MJGOQNOKSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237951660 1433436867 /nfs/dbraw/zinc/43/68/67/1433436867.db2.gz SBIKIZPTGDXBNN-IBGZPJMESA-N 2 0 397.588 3.398 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237952316 1433436890 /nfs/dbraw/zinc/43/68/90/1433436890.db2.gz XGVYGHJPPUUEOV-WOJBJXKFSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237958662 1433437178 /nfs/dbraw/zinc/43/71/78/1433437178.db2.gz XGVYGHJPPUUEOV-PMACEKPBSA-N 2 0 381.476 3.014 20 0 GGADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237994392 1433438442 /nfs/dbraw/zinc/43/84/42/1433438442.db2.gz YVWWOJLGXHPNPC-OAQYLSRUSA-N 2 0 381.564 3.423 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237991394 1433438605 /nfs/dbraw/zinc/43/86/05/1433438605.db2.gz DUFUPKMAKIFDOG-UHFFFAOYSA-N 2 0 377.532 3.089 20 0 GGADRP [NH3+]C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000238036746 1433440322 /nfs/dbraw/zinc/44/03/22/1433440322.db2.gz UZUCLPHVVJSISN-RBUKOAKNSA-N 2 0 391.437 3.138 20 0 GGADRP [NH3+]CC1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCC1 ZINC000238040707 1433440774 /nfs/dbraw/zinc/44/07/74/1433440774.db2.gz PMQDSCJKRLOSMB-UHFFFAOYSA-N 2 0 383.458 3.259 20 0 GGADRP C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201214 1433454777 /nfs/dbraw/zinc/45/47/77/1433454777.db2.gz GKYMTZVJHCTPDV-AJYBTWMASA-N 2 0 385.552 3.352 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000245389580 1433457519 /nfs/dbraw/zinc/45/75/19/1433457519.db2.gz IPFURKDJHMLBQS-MSOLQXFVSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000245389581 1433457722 /nfs/dbraw/zinc/45/77/22/1433457722.db2.gz IPFURKDJHMLBQS-ROUUACIJSA-N 2 0 392.613 3.380 20 0 GGADRP c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000245396767 1433459987 /nfs/dbraw/zinc/45/99/87/1433459987.db2.gz MOGIAZNYITZSGC-DNQXCXABSA-N 2 0 382.596 3.027 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421844 1433464623 /nfs/dbraw/zinc/46/46/23/1433464623.db2.gz IFBKMLUDAIFCEG-MOPGFXCFSA-N 2 0 390.597 3.087 20 0 GGADRP C[C@H](C(=O)N(C)Cc1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245462674 1433473112 /nfs/dbraw/zinc/47/31/12/1433473112.db2.gz XBCYVFUUSDQYKQ-NFBKMPQASA-N 2 0 379.548 3.487 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000245566991 1433486217 /nfs/dbraw/zinc/48/62/17/1433486217.db2.gz RNEGHJQYKFLIAE-WMZHIEFXSA-N 2 0 379.552 3.156 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573989 1433487180 /nfs/dbraw/zinc/48/71/80/1433487180.db2.gz DCFGYSGKCYJTLT-YZGWKJHDSA-N 2 0 388.556 3.281 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000245586399 1433488323 /nfs/dbraw/zinc/48/83/23/1433488323.db2.gz AMFPZLOYGIKSAQ-QIJUGHKUSA-N 2 0 384.568 3.439 20 0 GGADRP CC(C)CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245622249 1433491923 /nfs/dbraw/zinc/49/19/23/1433491923.db2.gz BFQXYPCZADHTOT-HMXCVIKNSA-N 2 0 381.605 3.233 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1OC ZINC000245635193 1433493467 /nfs/dbraw/zinc/49/34/67/1433493467.db2.gz VHXLVIBZVPQUDK-VLCRHTCISA-N 2 0 388.552 3.463 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245639975 1433494209 /nfs/dbraw/zinc/49/42/09/1433494209.db2.gz DCHVEVSJNTUGGX-KAGYGMCKSA-N 2 0 384.568 3.165 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245653867 1433495742 /nfs/dbraw/zinc/49/57/42/1433495742.db2.gz CZIOBGYVZOSRPR-IDHHARJASA-N 2 0 396.938 3.113 20 0 GGADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667223 1433497056 /nfs/dbraw/zinc/49/70/56/1433497056.db2.gz HFVOFQMYFMOOPT-YJBOKZPZSA-N 2 0 384.927 3.113 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000245859027 1433528504 /nfs/dbraw/zinc/52/85/04/1433528504.db2.gz BJKZDVFHVXGWJO-ZDFPQIBNSA-N 2 0 384.568 3.308 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCC2 ZINC000245866943 1433530492 /nfs/dbraw/zinc/53/04/92/1433530492.db2.gz IUORWBNAALIMBA-YPAWHYETSA-N 2 0 399.579 3.211 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000245943439 1433548436 /nfs/dbraw/zinc/54/84/36/1433548436.db2.gz KEVIEGDNYSIAGQ-ICSRJNTNSA-N 2 0 390.597 3.086 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000245956689 1433550550 /nfs/dbraw/zinc/55/05/50/1433550550.db2.gz LYKBJMWQCNMCNS-FRYIKTPZSA-N 2 0 395.588 3.037 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000245976004 1433552326 /nfs/dbraw/zinc/55/23/26/1433552326.db2.gz OPXWRVSHHLIMLG-VAMGGRTRSA-N 2 0 396.620 3.028 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000246012396 1433557981 /nfs/dbraw/zinc/55/79/81/1433557981.db2.gz TZMMTPJVQLDYJM-ZCNNSNEGSA-N 2 0 396.620 3.026 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000246019479 1433558472 /nfs/dbraw/zinc/55/84/72/1433558472.db2.gz UUCMURUJYKVNOL-SYYKKAFVSA-N 2 0 384.568 3.338 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)ccc1OC ZINC000246028039 1433559172 /nfs/dbraw/zinc/55/91/72/1433559172.db2.gz LKGDUAZHFBTCQC-QYZOEREBSA-N 2 0 377.573 3.297 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000246056033 1433562617 /nfs/dbraw/zinc/56/26/17/1433562617.db2.gz XXEKAJWRRZKGKP-CVEARBPZSA-N 2 0 382.499 3.083 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000246071043 1433564555 /nfs/dbraw/zinc/56/45/55/1433564555.db2.gz ZYMUIODBPBGPLV-FDFHNCONSA-N 2 0 386.584 3.065 20 0 GGADRP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246123498 1433571484 /nfs/dbraw/zinc/57/14/84/1433571484.db2.gz KMKIEBSNHHPUTJ-PXNSSMCTSA-N 2 0 394.519 3.297 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)Cn1ccnc1C ZINC000246163195 1433576757 /nfs/dbraw/zinc/57/67/57/1433576757.db2.gz KWILNNSLGCDTSG-SIKLNZKXSA-N 2 0 397.567 3.381 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163590 1433576802 /nfs/dbraw/zinc/57/68/02/1433576802.db2.gz IIIZMNPSKMQUIN-KNQAVFIVSA-N 2 0 387.568 3.413 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000246174935 1433578066 /nfs/dbraw/zinc/57/80/66/1433578066.db2.gz JQWARNLPIGUKIC-VAMGGRTRSA-N 2 0 396.620 3.026 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174959 1433578101 /nfs/dbraw/zinc/57/81/01/1433578101.db2.gz GKHAPDNBVSOANC-CEMLEFRQSA-N 2 0 386.584 3.441 20 0 GGADRP CN(C(=O)NCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246179328 1433578290 /nfs/dbraw/zinc/57/82/90/1433578290.db2.gz DAIKUHPJLDFYKB-LEWJYISDSA-N 2 0 390.547 3.304 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246218841 1433583260 /nfs/dbraw/zinc/58/32/60/1433583260.db2.gz GNUPHQLZHJVNTE-QIJUGHKUSA-N 2 0 382.552 3.078 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246226251 1433584078 /nfs/dbraw/zinc/58/40/78/1433584078.db2.gz BUJFUTWKIZUDRR-SBHAEUEKSA-N 2 0 376.589 3.299 20 0 GGADRP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000246266605 1433587922 /nfs/dbraw/zinc/58/79/22/1433587922.db2.gz AFSVTPXTWSNLEY-NQIIRXRSSA-N 2 0 397.567 3.299 20 0 GGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(CN4CCO[C@@H](C)C4)c3)c(C)n2n1 ZINC000246289685 1433589935 /nfs/dbraw/zinc/58/99/35/1433589935.db2.gz CEZVATXHIMGLLW-ZWKOTPCHSA-N 2 0 393.535 3.418 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000246288169 1433590081 /nfs/dbraw/zinc/59/00/81/1433590081.db2.gz AQEPNOXGBZKVOV-YUVXSKOASA-N 2 0 386.584 3.126 20 0 GGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(CN4CCO[C@@H](C)C4)c3)c(C)n2n1 ZINC000246289674 1433590134 /nfs/dbraw/zinc/59/01/34/1433590134.db2.gz CEZVATXHIMGLLW-ROUUACIJSA-N 2 0 393.535 3.418 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000246288127 1433590254 /nfs/dbraw/zinc/59/02/54/1433590254.db2.gz AQEPNOXGBZKVOV-KIZRIRGWSA-N 2 0 386.584 3.126 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246316679 1433593899 /nfs/dbraw/zinc/59/38/99/1433593899.db2.gz NUZOLTJLQHXJII-RBUKOAKNSA-N 2 0 376.545 3.180 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000246320094 1433594616 /nfs/dbraw/zinc/59/46/16/1433594616.db2.gz FKSJXDWPRNUAJX-CZAYHTPWSA-N 2 0 398.595 3.411 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246364782 1433600917 /nfs/dbraw/zinc/60/09/17/1433600917.db2.gz KRFLQFYEUQIGMW-SFHLNBCPSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246364769 1433601030 /nfs/dbraw/zinc/60/10/30/1433601030.db2.gz KRFLQFYEUQIGMW-KIZRIRGWSA-N 2 0 384.568 3.023 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246364015 1433601068 /nfs/dbraw/zinc/60/10/68/1433601068.db2.gz KNEUPJHIHQLRQB-KIZRIRGWSA-N 2 0 386.584 3.126 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000246372214 1433602430 /nfs/dbraw/zinc/60/24/30/1433602430.db2.gz OAXCMKBXDGOBTG-XQBPLPMBSA-N 2 0 387.568 3.027 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246393130 1433605889 /nfs/dbraw/zinc/60/58/89/1433605889.db2.gz CLQPLYGOMNDZOB-ILWGZMRPSA-N 2 0 386.584 3.413 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246393112 1433605985 /nfs/dbraw/zinc/60/59/85/1433605985.db2.gz CLQPLYGOMNDZOB-BVSLBCMMSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000246404249 1433607835 /nfs/dbraw/zinc/60/78/35/1433607835.db2.gz QGPSAAXBFOGXEB-HSALFYBXSA-N 2 0 396.620 3.170 20 0 GGADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408705 1433608315 /nfs/dbraw/zinc/60/83/15/1433608315.db2.gz BKNKEWBIGMYYQJ-KUDFPVQQSA-N 2 0 391.506 3.433 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000246409406 1433608637 /nfs/dbraw/zinc/60/86/37/1433608637.db2.gz LQPLMDLISNSCBR-HGHGUNKESA-N 2 0 388.556 3.003 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000246438505 1433612826 /nfs/dbraw/zinc/61/28/26/1433612826.db2.gz UFUDIURMNQOZJN-SELNLUPBSA-N 2 0 399.579 3.218 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246471893 1433617864 /nfs/dbraw/zinc/61/78/64/1433617864.db2.gz QPBVDSQNBNTYHM-TWFHAPMSSA-N 2 0 375.557 3.361 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000246477401 1433618768 /nfs/dbraw/zinc/61/87/68/1433618768.db2.gz LAWZJARWWBXULQ-HJNYFJLDSA-N 2 0 384.568 3.309 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000246488802 1433620180 /nfs/dbraw/zinc/62/01/80/1433620180.db2.gz PFCNSZWVJZPIIO-WMQCIHAUSA-N 2 0 386.540 3.170 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246510335 1433623222 /nfs/dbraw/zinc/62/32/22/1433623222.db2.gz UAGPMPAUDJHMIR-LCKKVJLRSA-N 2 0 396.579 3.308 20 0 GGADRP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000246510497 1433623496 /nfs/dbraw/zinc/62/34/96/1433623496.db2.gz QMISFNUOYRAQMN-DYXWJJEUSA-N 2 0 387.568 3.028 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000246530129 1433626252 /nfs/dbraw/zinc/62/62/52/1433626252.db2.gz XTBBCHNIGMYNJP-BWAGFHJFSA-N 2 0 384.568 3.297 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000246530138 1433626261 /nfs/dbraw/zinc/62/62/61/1433626261.db2.gz XTBBCHNIGMYNJP-QIJUGHKUSA-N 2 0 384.568 3.297 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000246556018 1433630365 /nfs/dbraw/zinc/63/03/65/1433630365.db2.gz KQQBIWGEJAWADX-DBXWQHBBSA-N 2 0 396.539 3.096 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC[C@H]21 ZINC000246573153 1433633102 /nfs/dbraw/zinc/63/31/02/1433633102.db2.gz BYNWJMAGDQCLIR-UYAOXDASSA-N 2 0 390.597 3.086 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246636639 1433643546 /nfs/dbraw/zinc/64/35/46/1433643546.db2.gz CHBNLKBFRFWMNK-SFHLNBCPSA-N 2 0 386.584 3.174 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000246649220 1433644938 /nfs/dbraw/zinc/64/49/38/1433644938.db2.gz ZHOLWKXXMCKVNG-SKWRMQMOSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246649207 1433645139 /nfs/dbraw/zinc/64/51/39/1433645139.db2.gz ZHOLWKXXMCKVNG-SJBKTWHCSA-N 2 0 398.595 3.270 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000246707428 1433653257 /nfs/dbraw/zinc/65/32/57/1433653257.db2.gz WSBXJTPZILSLPT-NZQKXSOJSA-N 2 0 377.532 3.244 20 0 GGADRP CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000246714050 1433654000 /nfs/dbraw/zinc/65/40/00/1433654000.db2.gz XCUDSJFZCZNITH-HGSOSGBHSA-N 2 0 395.547 3.118 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000246721063 1433655103 /nfs/dbraw/zinc/65/51/03/1433655103.db2.gz VCNPGDCADNWOPN-CGTJXYLNSA-N 2 0 376.570 3.009 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246719508 1433655141 /nfs/dbraw/zinc/65/51/41/1433655141.db2.gz UZEYEZJZCSSYAY-HDAAZOAOSA-N 2 0 376.589 3.013 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246724201 1433655366 /nfs/dbraw/zinc/65/53/66/1433655366.db2.gz VKIZAQFZIFQHRJ-RTBURBONSA-N 2 0 376.545 3.084 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000246781032 1433665525 /nfs/dbraw/zinc/66/55/25/1433665525.db2.gz ZHMXOXPITRXBSA-UNMCSNQZSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815784 1433673057 /nfs/dbraw/zinc/67/30/57/1433673057.db2.gz NMRHFGLPCHPUDG-JLMNBJLZSA-N 2 0 385.596 3.409 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246839473 1433676849 /nfs/dbraw/zinc/67/68/49/1433676849.db2.gz KJUMTHKMNDOHMU-KAGYGMCKSA-N 2 0 384.568 3.338 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246862641 1433679730 /nfs/dbraw/zinc/67/97/30/1433679730.db2.gz DAENXYVYUOBEHL-RBUKOAKNSA-N 2 0 398.551 3.098 20 0 GGADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246900150 1433684428 /nfs/dbraw/zinc/68/44/28/1433684428.db2.gz XPXNHSZBASBEJE-LEWJYISDSA-N 2 0 387.543 3.372 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913282 1433686331 /nfs/dbraw/zinc/68/63/31/1433686331.db2.gz FYEDFZWJTBOZCI-LQWHRVPQSA-N 2 0 384.593 3.390 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000247260013 1433697370 /nfs/dbraw/zinc/69/73/70/1433697370.db2.gz RPIGETCCQNBPMJ-QXAKKESOSA-N 2 0 378.586 3.257 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000247292515 1433700926 /nfs/dbraw/zinc/70/09/26/1433700926.db2.gz UNAPDHMOCNOJBK-RBBKRZOGSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000247328379 1433706996 /nfs/dbraw/zinc/70/69/96/1433706996.db2.gz MFWNNXADTDSKAD-IFMALSPDSA-N 2 0 386.584 3.443 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247329960 1433707802 /nfs/dbraw/zinc/70/78/02/1433707802.db2.gz WVKZTJXJFGKJTL-FVTFTPSCSA-N 2 0 384.568 3.165 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247332418 1433708524 /nfs/dbraw/zinc/70/85/24/1433708524.db2.gz JJWFOHCRAWSOQL-YADHBBJMSA-N 2 0 384.568 3.311 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247346014 1433710920 /nfs/dbraw/zinc/71/09/20/1433710920.db2.gz XVFGTFDPJJYXAD-FUOIXIIKSA-N 2 0 398.595 3.269 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247346035 1433710961 /nfs/dbraw/zinc/71/09/61/1433710961.db2.gz XVFGTFDPJJYXAD-GTWWNFFPSA-N 2 0 398.595 3.269 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247349635 1433711307 /nfs/dbraw/zinc/71/13/07/1433711307.db2.gz LDKQSGDSZNAVAM-XZOQPEGZSA-N 2 0 398.595 3.211 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000247366305 1433714249 /nfs/dbraw/zinc/71/42/49/1433714249.db2.gz REKAXZCUNUNWDA-FXAWDEMLSA-N 2 0 392.975 3.460 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000247374499 1433714468 /nfs/dbraw/zinc/71/44/68/1433714468.db2.gz SMJGFSLGEUNPIG-ZWKOTPCHSA-N 2 0 381.586 3.242 20 0 GGADRP COc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412417 1433719142 /nfs/dbraw/zinc/71/91/42/1433719142.db2.gz ZISMVNXFCKHMOM-LAUBAEHRSA-N 2 0 381.520 3.243 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247412057 1433719202 /nfs/dbraw/zinc/71/92/02/1433719202.db2.gz STPXEFOSJUHGPP-SJBKTWHCSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000247411772 1433719268 /nfs/dbraw/zinc/71/92/68/1433719268.db2.gz ZFDURNYTEARICR-KNQAVFIVSA-N 2 0 386.584 3.402 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247463878 1433725760 /nfs/dbraw/zinc/72/57/60/1433725760.db2.gz RBZHXRRRLMQNIW-SJBKTWHCSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000247465449 1433725930 /nfs/dbraw/zinc/72/59/30/1433725930.db2.gz UTKGLNUPHDSTFQ-MOPGFXCFSA-N 2 0 392.613 3.237 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247463863 1433726113 /nfs/dbraw/zinc/72/61/13/1433726113.db2.gz RBZHXRRRLMQNIW-KCZVDYSFSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000247485297 1433728162 /nfs/dbraw/zinc/72/81/62/1433728162.db2.gz WLPSHMXALNDAMV-VQIMIIECSA-N 2 0 380.964 3.220 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000247525821 1433733480 /nfs/dbraw/zinc/73/34/80/1433733480.db2.gz ZKOIXJCUXXMRDI-FGZHOGPDSA-N 2 0 386.584 3.128 20 0 GGADRP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1ccnc1 ZINC000247539437 1433734806 /nfs/dbraw/zinc/73/48/06/1433734806.db2.gz JXVDCACGOHWKSA-NRSPTQNISA-N 2 0 381.524 3.140 20 0 GGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000247727486 1433747936 /nfs/dbraw/zinc/74/79/36/1433747936.db2.gz TUCNYXJDNRUXBM-HXUWFJFHSA-N 2 0 395.547 3.428 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936518 1433756817 /nfs/dbraw/zinc/75/68/17/1433756817.db2.gz CNPAHJPERKAYOI-LAUBAEHRSA-N 2 0 381.520 3.243 20 0 GGADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937744 1433757465 /nfs/dbraw/zinc/75/74/65/1433757465.db2.gz CRXNRVSKESCNMP-XMSQKQJNSA-N 2 0 395.547 3.113 20 0 GGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247956355 1433758865 /nfs/dbraw/zinc/75/88/65/1433758865.db2.gz FQOJYTPZADVCOU-WMZHIEFXSA-N 2 0 379.548 3.413 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[N@@H+]1C1CC1 ZINC000248035658 1433765044 /nfs/dbraw/zinc/76/50/44/1433765044.db2.gz RLRFSHKJOPMZBW-QWFCFKBJSA-N 2 0 376.589 3.298 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000248053254 1433766345 /nfs/dbraw/zinc/76/63/45/1433766345.db2.gz XUMCWBHNOCHIOD-UHFFFAOYSA-N 2 0 384.568 3.392 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248060766 1433766786 /nfs/dbraw/zinc/76/67/86/1433766786.db2.gz LVZRJOMGYZLEOK-FHWLQOOXSA-N 2 0 383.577 3.113 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248065396 1433767176 /nfs/dbraw/zinc/76/71/76/1433767176.db2.gz ZJPFYOWEFPCILA-KNQAVFIVSA-N 2 0 393.616 3.283 20 0 GGADRP CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248123460 1433771458 /nfs/dbraw/zinc/77/14/58/1433771458.db2.gz NQPSGAFHRKGXFV-DHIUTWEWSA-N 2 0 379.548 3.495 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000248133508 1433772777 /nfs/dbraw/zinc/77/27/77/1433772777.db2.gz OTAHMXLMVZJFFK-OXQOHEQNSA-N 2 0 399.510 3.382 20 0 GGADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000248141029 1433773897 /nfs/dbraw/zinc/77/38/97/1433773897.db2.gz PPXBGAOEQCYPFK-QFBILLFUSA-N 2 0 381.586 3.244 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000248175069 1433777753 /nfs/dbraw/zinc/77/77/53/1433777753.db2.gz VLZGKGXVUUMCKF-VJBWXMMDSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248185734 1433778670 /nfs/dbraw/zinc/77/86/70/1433778670.db2.gz XHWBOCZWMTVOED-VQIMIIECSA-N 2 0 377.598 3.394 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216787 1433780126 /nfs/dbraw/zinc/78/01/26/1433780126.db2.gz ZTMLOSRVPVDAGI-KNQAVFIVSA-N 2 0 381.495 3.300 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216788 1433780197 /nfs/dbraw/zinc/78/01/97/1433780197.db2.gz ZTMLOSRVPVDAGI-UGKGYDQZSA-N 2 0 381.495 3.300 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000248215786 1433780341 /nfs/dbraw/zinc/78/03/41/1433780341.db2.gz ZPRDSNPHBZYELH-ULQDDVLXSA-N 2 0 396.963 3.179 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248344207 1433787571 /nfs/dbraw/zinc/78/75/71/1433787571.db2.gz LHCJAISWTGHNKE-YADHBBJMSA-N 2 0 383.580 3.322 20 0 GGADRP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248388855 1433792889 /nfs/dbraw/zinc/79/28/89/1433792889.db2.gz AGICXKDLKSHTFQ-RJGXRXQPSA-N 2 0 377.532 3.218 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390618 1433793758 /nfs/dbraw/zinc/79/37/58/1433793758.db2.gz BKKJYRKKZQBYKF-ZVVDCOBXSA-N 2 0 388.600 3.298 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000248391615 1433794338 /nfs/dbraw/zinc/79/43/38/1433794338.db2.gz DJAMZFOXQKOLKY-QWFCFKBJSA-N 2 0 388.577 3.372 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000248393201 1433794564 /nfs/dbraw/zinc/79/45/64/1433794564.db2.gz GKUUVJRIYJBCDW-KXXHFCIOSA-N 2 0 386.511 3.312 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395116 1433795239 /nfs/dbraw/zinc/79/52/39/1433795239.db2.gz FYRTVKQEWXDYRP-ISJGIBHGSA-N 3 0 398.639 3.150 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248396085 1433795272 /nfs/dbraw/zinc/79/52/72/1433795272.db2.gz GVZHGFXDBFAOOF-ISJGIBHGSA-N 3 0 398.639 3.294 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248401336 1433797556 /nfs/dbraw/zinc/79/75/56/1433797556.db2.gz LVEAYGOMJKFIDV-VAMGGRTRSA-N 2 0 378.605 3.307 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403770 1433798769 /nfs/dbraw/zinc/79/87/69/1433798769.db2.gz PBOFXCAOTYIFIU-LZLYRXPVSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H](Cc2nccn2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405318 1433799117 /nfs/dbraw/zinc/79/91/17/1433799117.db2.gz REIHWWJLOSJMLJ-FHWLQOOXSA-N 2 0 387.572 3.037 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404055 1433799346 /nfs/dbraw/zinc/79/93/46/1433799346.db2.gz PORBOAVREVCTPW-YRISNDGFSA-N 2 0 390.547 3.381 20 0 GGADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248408212 1433800093 /nfs/dbraw/zinc/80/00/93/1433800093.db2.gz VFWBKDQIBHXUGR-GUDVDZBRSA-N 2 0 378.605 3.449 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409068 1433800138 /nfs/dbraw/zinc/80/01/38/1433800138.db2.gz WHOLOVCTEIMLEQ-KJXAQDMKSA-N 2 0 395.522 3.446 20 0 GGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000248411954 1433800600 /nfs/dbraw/zinc/80/06/00/1433800600.db2.gz ZTWGYCJPLGLTCT-ZJOUEHCJSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248411737 1433800651 /nfs/dbraw/zinc/80/06/51/1433800651.db2.gz ZOHDXCWBFUEBFA-CMKODMSKSA-N 2 0 388.556 3.369 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCN1CC(F)(F)F ZINC000248418841 1433801318 /nfs/dbraw/zinc/80/13/18/1433801318.db2.gz UDNCHHBTVGUCIL-FCGDIQPGSA-N 2 0 395.469 3.040 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000248430385 1433801960 /nfs/dbraw/zinc/80/19/60/1433801960.db2.gz BRWLWVHTOQOPDS-WNLMNSNFSA-N 2 0 386.561 3.232 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434747 1433802353 /nfs/dbraw/zinc/80/23/53/1433802353.db2.gz FABYBWMPPPVITK-WMZHIEFXSA-N 3 0 397.563 3.044 20 0 GGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248439324 1433802755 /nfs/dbraw/zinc/80/27/55/1433802755.db2.gz ILJKVACNWLROTC-SBUREZEXSA-N 2 0 381.520 3.453 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000248452570 1433803877 /nfs/dbraw/zinc/80/38/77/1433803877.db2.gz QAPAYXJMDIJOIR-MBSDFSHPSA-N 2 0 391.519 3.075 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248456327 1433804289 /nfs/dbraw/zinc/80/42/89/1433804289.db2.gz SEVAGGNIWKBGGE-XMSQKQJNSA-N 2 0 384.520 3.129 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248458433 1433804405 /nfs/dbraw/zinc/80/44/05/1433804405.db2.gz URGRADMOZXVWTI-DNVCBOLYSA-N 2 0 389.565 3.058 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458575 1433804466 /nfs/dbraw/zinc/80/44/66/1433804466.db2.gz UVYNAUBBVGZJNP-UWJYYQICSA-N 2 0 382.504 3.265 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458573 1433804550 /nfs/dbraw/zinc/80/45/50/1433804550.db2.gz UVYNAUBBVGZJNP-UTKZUKDTSA-N 2 0 382.504 3.265 20 0 GGADRP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000248528529 1433806979 /nfs/dbraw/zinc/80/69/79/1433806979.db2.gz WDXOMUGOLJWYKR-YLJYHZDGSA-N 2 0 381.520 3.249 20 0 GGADRP Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000248528526 1433807025 /nfs/dbraw/zinc/80/70/25/1433807025.db2.gz WDXOMUGOLJWYKR-FXAWDEMLSA-N 2 0 381.520 3.249 20 0 GGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000248549406 1433807874 /nfs/dbraw/zinc/80/78/74/1433807874.db2.gz FYDFOTOHFTWOOG-SVFBPWRDSA-N 2 0 384.568 3.257 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248679936 1433814853 /nfs/dbraw/zinc/81/48/53/1433814853.db2.gz CKFHPULDSZDPJH-LPHOPBHVSA-N 2 0 398.954 3.455 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248683159 1433815119 /nfs/dbraw/zinc/81/51/19/1433815119.db2.gz FBYGYJXUZMREGB-IPMKNSEASA-N 2 0 399.560 3.363 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000248683156 1433815212 /nfs/dbraw/zinc/81/52/12/1433815212.db2.gz FBYGYJXUZMREGB-GUDVDZBRSA-N 2 0 399.560 3.363 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248724529 1433817868 /nfs/dbraw/zinc/81/78/68/1433817868.db2.gz HQCKYHKWGKADQV-QNWVGRARSA-N 2 0 396.579 3.167 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735180 1433818464 /nfs/dbraw/zinc/81/84/64/1433818464.db2.gz QPYVFGDBPOMXSA-KYJSFNMBSA-N 2 0 381.442 3.227 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)[C@H](C)C1 ZINC000248734411 1433818496 /nfs/dbraw/zinc/81/84/96/1433818496.db2.gz PLONXNJIZJWFJR-HFTRVMKXSA-N 2 0 383.458 3.126 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248737398 1433818812 /nfs/dbraw/zinc/81/88/12/1433818812.db2.gz LDBFMVQHRPPRIH-IFMALSPDSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248737402 1433818872 /nfs/dbraw/zinc/81/88/72/1433818872.db2.gz LDBFMVQHRPPRIH-RBBKRZOGSA-N 2 0 386.584 3.462 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248788244 1433822644 /nfs/dbraw/zinc/82/26/44/1433822644.db2.gz CYTLLUSBFLXWBC-OEMFJLHTSA-N 2 0 389.543 3.185 20 0 GGADRP C[C@@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248826572 1433824335 /nfs/dbraw/zinc/82/43/35/1433824335.db2.gz MAMXYBSDHDYKRR-ZNTQHIFFSA-N 2 0 398.595 3.459 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)C[C@@H](C)O1 ZINC000248892590 1433828081 /nfs/dbraw/zinc/82/80/81/1433828081.db2.gz SLDMVETXVPKMJR-HMFYCAOWSA-N 2 0 385.552 3.151 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000248917274 1433829558 /nfs/dbraw/zinc/82/95/58/1433829558.db2.gz DLJUUKRZLHKFIN-RPVQJOFSSA-N 2 0 398.473 3.233 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000249001135 1433831895 /nfs/dbraw/zinc/83/18/95/1433831895.db2.gz NAGNQFLFKKSRBH-SQNIBIBYSA-N 2 0 398.473 3.186 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000249061806 1433833506 /nfs/dbraw/zinc/83/35/06/1433833506.db2.gz YQYZZBNBCSXWNB-FDFHNCONSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249197368 1433838751 /nfs/dbraw/zinc/83/87/51/1433838751.db2.gz RMBXLPSOIMJHSB-DYESRHJHSA-N 2 0 383.511 3.244 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273496 1433840021 /nfs/dbraw/zinc/84/00/21/1433840021.db2.gz JLWKIEGXVYNMBR-JXFKEZNVSA-N 2 0 379.495 3.120 20 0 GGADRP CCN(C(=O)NC[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249271839 1433840042 /nfs/dbraw/zinc/84/00/42/1433840042.db2.gz BLWNSAZSPCUKOL-FGZHOGPDSA-N 2 0 386.584 3.270 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)c1 ZINC000249324037 1433841311 /nfs/dbraw/zinc/84/13/11/1433841311.db2.gz SLQFQLCSTKPKDX-GHTZIAJQSA-N 2 0 390.572 3.109 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)c1 ZINC000249324043 1433841346 /nfs/dbraw/zinc/84/13/46/1433841346.db2.gz SLQFQLCSTKPKDX-WIYYLYMNSA-N 2 0 390.572 3.109 20 0 GGADRP CCN(C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249373829 1433841913 /nfs/dbraw/zinc/84/19/13/1433841913.db2.gz XLPVVYYVVUICMS-YADHBBJMSA-N 2 0 386.584 3.413 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2c(C)cccc2C)[C@@H](C)C1 ZINC000249419142 1433843481 /nfs/dbraw/zinc/84/34/81/1433843481.db2.gz HFOZFFUSFLZDPF-UFYCRDLUSA-N 2 0 375.557 3.357 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C)C1 ZINC000249420351 1433843511 /nfs/dbraw/zinc/84/35/11/1433843511.db2.gz HLANWLZFZTXJSI-UXPWSPDFSA-N 2 0 393.959 3.172 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000249512802 1433845662 /nfs/dbraw/zinc/84/56/62/1433845662.db2.gz VQCGEVWDGYDSED-RTBURBONSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000249528023 1433846460 /nfs/dbraw/zinc/84/64/60/1433846460.db2.gz VTWOGZJGXKVXGQ-HSALFYBXSA-N 2 0 398.595 3.448 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000249746551 1433850806 /nfs/dbraw/zinc/85/08/06/1433850806.db2.gz MWYCOEUZXJHUOX-KNQAVFIVSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000249790764 1433852111 /nfs/dbraw/zinc/85/21/11/1433852111.db2.gz USUHZAOFXMDFOV-ROUUACIJSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000249784982 1433852128 /nfs/dbraw/zinc/85/21/28/1433852128.db2.gz DIIQLTRNTISGQI-ZWKOTPCHSA-N 2 0 378.582 3.221 20 0 GGADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250282140 1433855428 /nfs/dbraw/zinc/85/54/28/1433855428.db2.gz GNXLLESVOBTQCL-RBBKRZOGSA-N 2 0 390.568 3.017 20 0 GGADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250286165 1433855717 /nfs/dbraw/zinc/85/57/17/1433855717.db2.gz KZJOGOLZKWKSDQ-FCHUYYIVSA-N 2 0 390.568 3.017 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000251573955 1433859059 /nfs/dbraw/zinc/85/90/59/1433859059.db2.gz VDWVQZYKVMACDS-OIBXWCBGSA-N 2 0 392.547 3.396 20 0 GGADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000251837844 1433860712 /nfs/dbraw/zinc/86/07/12/1433860712.db2.gz QDEGEESSVOOZDZ-UAFMIMERSA-N 2 0 399.579 3.174 20 0 GGADRP CCN(C)c1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000253351787 1433865794 /nfs/dbraw/zinc/86/57/94/1433865794.db2.gz LNGLKYPBRDHTOE-QFIPXVFZSA-N 2 0 381.568 3.006 20 0 GGADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)C/C=C\C[NH+](C)[C@H]1CCCc2c1cnn2C ZINC000255207396 1433878467 /nfs/dbraw/zinc/87/84/67/1433878467.db2.gz WGQRGNZXPRNQHK-GGJLBNBESA-N 2 0 382.556 3.028 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1nc2ccccc2s1 ZINC000255734912 1433888856 /nfs/dbraw/zinc/88/88/56/1433888856.db2.gz HKXFJHMECMVVMJ-CPFIRTDXSA-N 2 0 386.565 3.184 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000255770437 1433889216 /nfs/dbraw/zinc/88/92/16/1433889216.db2.gz JUSCBGLZEUGMNO-RBUKOAKNSA-N 2 0 376.545 3.370 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000261398879 1433895669 /nfs/dbraw/zinc/89/56/69/1433895669.db2.gz ZISGPDNLWKQQSX-SFHVURJKSA-N 2 0 386.515 3.170 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000261398875 1433895725 /nfs/dbraw/zinc/89/57/25/1433895725.db2.gz ZISGPDNLWKQQSX-GOSISDBHSA-N 2 0 386.515 3.170 20 0 GGADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000261744673 1433901019 /nfs/dbraw/zinc/90/10/19/1433901019.db2.gz OJKZGBFVOLIRDQ-UHFFFAOYSA-N 2 0 385.508 3.273 20 0 GGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261820215 1433905384 /nfs/dbraw/zinc/90/53/84/1433905384.db2.gz KGLRBUDMGUPJTC-IIDMSEBBSA-N 2 0 399.457 3.226 20 0 GGADRP O=C(N1CCC2(CC[NH2+]C2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000261876998 1433908861 /nfs/dbraw/zinc/90/88/61/1433908861.db2.gz SXGSGSSCBSOJAO-FQEVSTJZSA-N 2 0 395.469 3.043 20 0 GGADRP O=C(N1CCC2(CC[NH2+]C2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000261877000 1433908879 /nfs/dbraw/zinc/90/88/79/1433908879.db2.gz SXGSGSSCBSOJAO-HXUWFJFHSA-N 2 0 395.469 3.043 20 0 GGADRP CN(c1ccccc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000261904771 1433911444 /nfs/dbraw/zinc/91/14/44/1433911444.db2.gz XBQZFXAZYIQINZ-XZOQPEGZSA-N 2 0 378.564 3.144 20 0 GGADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000261937669 1433914178 /nfs/dbraw/zinc/91/41/78/1433914178.db2.gz ZTJIOQVQGKIQAN-SFHVURJKSA-N 2 0 386.540 3.219 20 0 GGADRP Brc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCCCO2 ZINC000261959465 1433916400 /nfs/dbraw/zinc/91/64/00/1433916400.db2.gz HCVBXMPUCSWJRK-UHFFFAOYSA-N 2 0 381.314 3.186 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000262019592 1433922671 /nfs/dbraw/zinc/92/26/71/1433922671.db2.gz XIQWPYYNLMLTAG-UHFFFAOYSA-N 2 0 395.547 3.203 20 0 GGADRP C[C@@]([NH3+])(C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000262020523 1433922770 /nfs/dbraw/zinc/92/27/70/1433922770.db2.gz YSBZZFQQADMONL-SFHVURJKSA-N 2 0 382.346 3.052 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000262023896 1433922972 /nfs/dbraw/zinc/92/29/72/1433922972.db2.gz YVPZFNNVNCKPNS-QGZVFWFLSA-N 2 0 385.430 3.012 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000262023044 1433923001 /nfs/dbraw/zinc/92/30/01/1433923001.db2.gz YQRQBSZNURFYBV-QFIPXVFZSA-N 2 0 375.532 3.495 20 0 GGADRP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1)c1ccccc1Cl ZINC000262068738 1433925655 /nfs/dbraw/zinc/92/56/55/1433925655.db2.gz BTVSKCLWXVKJQV-LJQANCHMSA-N 2 0 398.938 3.072 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCOCC1)c1ccccc1 ZINC000262200569 1433930593 /nfs/dbraw/zinc/93/05/93/1433930593.db2.gz CZQGYBFPAHQQND-OGQGWYMCSA-N 2 0 399.579 3.156 20 0 GGADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000262223711 1433931506 /nfs/dbraw/zinc/93/15/06/1433931506.db2.gz MZEAXKRUKOSRAZ-BDTNDASRSA-N 2 0 381.495 3.134 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)cc1 ZINC000262340756 1433935537 /nfs/dbraw/zinc/93/55/37/1433935537.db2.gz SSZZCZWUBFOXBP-CVFDLSLPSA-N 2 0 399.579 3.177 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262342413 1433935926 /nfs/dbraw/zinc/93/59/26/1433935926.db2.gz HYZVLROKLWGJKT-FDDCHVKYSA-N 2 0 398.551 3.219 20 0 GGADRP C[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)C1C[NH2+]C1 ZINC000262396065 1433937546 /nfs/dbraw/zinc/93/75/46/1433937546.db2.gz OYEHUFMWEHDEEH-OAHLLOKOSA-N 2 0 387.524 3.054 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000262409043 1433938176 /nfs/dbraw/zinc/93/81/76/1433938176.db2.gz SESRCFINVVKUMT-IYBDPMFKSA-N 2 0 386.565 3.052 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468751 1433940419 /nfs/dbraw/zinc/94/04/19/1433940419.db2.gz GQAAKZIHPXFRGZ-REWPJTCUSA-N 2 0 387.568 3.067 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000262626470 1433946875 /nfs/dbraw/zinc/94/68/75/1433946875.db2.gz CBOSOVJSRYRNEP-WTNAPCKOSA-N 2 0 381.520 3.284 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000262639751 1433947282 /nfs/dbraw/zinc/94/72/82/1433947282.db2.gz JXQXYOUMYILYGO-CBQOVEMMSA-N 2 0 387.568 3.364 20 0 GGADRP C[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000262647333 1433947839 /nfs/dbraw/zinc/94/78/39/1433947839.db2.gz PBDFNEIJWOYDPS-JPAWQOSXSA-N 2 0 387.568 3.060 20 0 GGADRP C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262658143 1433948326 /nfs/dbraw/zinc/94/83/26/1433948326.db2.gz DPVMVMJZLJENBY-KCESLBEFSA-N 2 0 395.547 3.248 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)ccc1OC ZINC000262663313 1433948574 /nfs/dbraw/zinc/94/85/74/1433948574.db2.gz OJYGARMQSDXVMD-NRFANRHFSA-N 2 0 385.508 3.363 20 0 GGADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262697283 1433950426 /nfs/dbraw/zinc/95/04/26/1433950426.db2.gz XXYWVJDPOXBZSS-OALUTQOASA-N 2 0 379.589 3.024 20 0 GGADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262705738 1433951339 /nfs/dbraw/zinc/95/13/39/1433951339.db2.gz LXLQMADGAFKYDX-DEOSSOPVSA-N 2 0 394.563 3.460 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCCC1)c1ccccc1 ZINC000262740928 1433953129 /nfs/dbraw/zinc/95/31/29/1433953129.db2.gz JGZGCLZRBQZKMD-UYAOXDASSA-N 2 0 395.551 3.201 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761800 1433954233 /nfs/dbraw/zinc/95/42/33/1433954233.db2.gz DNEIPCUEABEYTG-CLWLKPMESA-N 2 0 387.568 3.030 20 0 GGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262767076 1433954802 /nfs/dbraw/zinc/95/48/02/1433954802.db2.gz LZEWNVNKMGEXOX-OAQYLSRUSA-N 2 0 397.567 3.360 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763504 1433954899 /nfs/dbraw/zinc/95/48/99/1433954899.db2.gz FGQCKVYMMVIKMN-REWPJTCUSA-N 2 0 387.568 3.067 20 0 GGADRP C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262776494 1433955440 /nfs/dbraw/zinc/95/54/40/1433955440.db2.gz JOAGFWJMFJQGRS-GOSISDBHSA-N 2 0 377.532 3.249 20 0 GGADRP C[C@]([NH3+])(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000262788343 1433956353 /nfs/dbraw/zinc/95/63/53/1433956353.db2.gz NJEAPMRPAJPOLO-XMMPIXPASA-N 2 0 395.547 3.048 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818690 1433958456 /nfs/dbraw/zinc/95/84/56/1433958456.db2.gz XNWDYUHYYWOLLE-HCLVMJGWSA-N 2 0 387.568 3.210 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000262824404 1433959260 /nfs/dbraw/zinc/95/92/60/1433959260.db2.gz XUISOPUKVAAANS-GMAHTHKFSA-N 2 0 381.520 3.213 20 0 GGADRP CCC(CC)(CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH2+][C@H](C)c1ccccc1 ZINC000262851947 1433961564 /nfs/dbraw/zinc/96/15/64/1433961564.db2.gz VKKGLBLNLDSZIR-QUCCMNQESA-N 2 0 397.567 3.447 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000263183222 1433993081 /nfs/dbraw/zinc/99/30/81/1433993081.db2.gz GZHGRKQGZPQODD-KNQAVFIVSA-N 2 0 386.540 3.347 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[NH+]1CCCC1 ZINC000263230991 1433996734 /nfs/dbraw/zinc/99/67/34/1433996734.db2.gz ICQDUDMMNPJBTL-WQQFTPOPSA-N 2 0 385.552 3.102 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc(OC)c1 ZINC000263229738 1433996937 /nfs/dbraw/zinc/99/69/37/1433996937.db2.gz HQCLZQQUGQEHDZ-JWDOZVDXSA-N 2 0 387.568 3.348 20 0 GGADRP COc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCC2)cc1 ZINC000263225831 1433996939 /nfs/dbraw/zinc/99/69/39/1433996939.db2.gz GMGSDZLJJLKROJ-JWDOZVDXSA-N 2 0 385.552 3.102 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000263307473 1434001358 /nfs/dbraw/zinc/00/13/58/1434001358.db2.gz YBKIFUHUSJKTJC-KNQAVFIVSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)C[C@H](C)O1 ZINC000264155336 1434076414 /nfs/dbraw/zinc/07/64/14/1434076414.db2.gz HKKJJZIDBKHFLN-BGYRXZFFSA-N 2 0 399.579 3.244 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1)C(C)C ZINC000264323160 1434097127 /nfs/dbraw/zinc/09/71/27/1434097127.db2.gz VSCQXCLSTNQPOZ-UHFFFAOYSA-N 2 0 387.568 3.292 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC000264399064 1434107513 /nfs/dbraw/zinc/10/75/13/1434107513.db2.gz VOPZZBCGBSJIJR-HNNXBMFYSA-N 2 0 391.560 3.341 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000264743634 1434151061 /nfs/dbraw/zinc/15/10/61/1434151061.db2.gz LWDYVSVSRAROMM-UHFFFAOYSA-N 2 0 390.572 3.079 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000265243686 1434206132 /nfs/dbraw/zinc/20/61/32/1434206132.db2.gz MFSGUJWNJSCJKN-UHFFFAOYSA-N 2 0 395.547 3.333 20 0 GGADRP CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000265502317 1434240198 /nfs/dbraw/zinc/24/01/98/1434240198.db2.gz DDLNIWYHLUASCK-UHFFFAOYSA-N 2 0 399.535 3.065 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000265520044 1434241847 /nfs/dbraw/zinc/24/18/47/1434241847.db2.gz HTSZQHOGFBSMOM-UHFFFAOYSA-N 2 0 397.491 3.317 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000265886101 1434278202 /nfs/dbraw/zinc/27/82/02/1434278202.db2.gz PXMOQIOODDETJV-UHFFFAOYSA-N 2 0 396.560 3.206 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000265898674 1434279933 /nfs/dbraw/zinc/27/99/33/1434279933.db2.gz UFTWDXRAZRPVAY-UHFFFAOYSA-N 2 0 382.533 3.147 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000266426784 1434334773 /nfs/dbraw/zinc/33/47/73/1434334773.db2.gz RFVVGWWUFMPIMS-ICSRJNTNSA-N 2 0 397.485 3.241 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000266488814 1434342861 /nfs/dbraw/zinc/34/28/61/1434342861.db2.gz WUOIAJIIISROMB-FXAWDEMLSA-N 2 0 375.557 3.025 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000266499407 1434343914 /nfs/dbraw/zinc/34/39/14/1434343914.db2.gz FVIUQDCVXYNAHD-JOCHJYFZSA-N 2 0 387.568 3.447 20 0 GGADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266682797 1434363448 /nfs/dbraw/zinc/36/34/48/1434363448.db2.gz ZZQTVAIEOHSUFH-UHFFFAOYSA-N 2 0 399.579 3.390 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000267015683 1434399141 /nfs/dbraw/zinc/39/91/41/1434399141.db2.gz UFHKWOXOWYWMQE-UHFFFAOYSA-N 2 0 387.568 3.292 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078587 1434406009 /nfs/dbraw/zinc/40/60/09/1434406009.db2.gz UNPPQRIRBSDWRF-AVRDEDQJSA-N 2 0 381.495 3.300 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267325203 1434423018 /nfs/dbraw/zinc/42/30/18/1434423018.db2.gz DYQVKHSDNHDAIO-SIKLNZKXSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000267333826 1434423439 /nfs/dbraw/zinc/42/34/39/1434423439.db2.gz MLQVKQXWRPFNSK-GHTZIAJQSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000267333830 1434423741 /nfs/dbraw/zinc/42/37/41/1434423741.db2.gz MLQVKQXWRPFNSK-RXVVDRJESA-N 2 0 386.584 3.459 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000267333828 1434423788 /nfs/dbraw/zinc/42/37/88/1434423788.db2.gz MLQVKQXWRPFNSK-NQIIRXRSSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000267359279 1434425545 /nfs/dbraw/zinc/42/55/45/1434425545.db2.gz IYMWDTFGONLGOZ-SIKLNZKXSA-N 2 0 386.584 3.270 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267378716 1434427480 /nfs/dbraw/zinc/42/74/80/1434427480.db2.gz VBVZCYLGGROWLU-OAQYLSRUSA-N 2 0 398.595 3.257 20 0 GGADRP COc1ccc(C[NH+](C)CCCC[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000267422984 1434431258 /nfs/dbraw/zinc/43/12/58/1434431258.db2.gz WTNHTJCCEWEJRX-UHFFFAOYSA-N 2 0 388.508 3.459 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000267426055 1434431445 /nfs/dbraw/zinc/43/14/45/1434431445.db2.gz QLPOHZMHMXLVGP-HJNYFJLDSA-N 2 0 386.584 3.270 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000267874553 1434472592 /nfs/dbraw/zinc/47/25/92/1434472592.db2.gz MPMADGRTVBAZOI-NRFANRHFSA-N 2 0 387.524 3.116 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000267889243 1434474542 /nfs/dbraw/zinc/47/45/42/1434474542.db2.gz RFSUSCBHQSGHPV-JOCHJYFZSA-N 2 0 393.535 3.381 20 0 GGADRP CCOC(CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OCC ZINC000268308299 1434510805 /nfs/dbraw/zinc/51/08/05/1434510805.db2.gz ASHZOPTTZRWFBC-UHFFFAOYSA-N 2 0 377.573 3.486 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000268767153 1434554627 /nfs/dbraw/zinc/55/46/27/1434554627.db2.gz OAKZBXNQXOYXPL-NQIIRXRSSA-N 2 0 389.588 3.139 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770893 1434555169 /nfs/dbraw/zinc/55/51/69/1434555169.db2.gz SLCGIONEMPONKH-MTNREXPMSA-N 2 0 384.520 3.237 20 0 GGADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000268775152 1434556017 /nfs/dbraw/zinc/55/60/17/1434556017.db2.gz VGIKVHQCUFEXFG-NRFANRHFSA-N 2 0 383.536 3.456 20 0 GGADRP Cc1ccsc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268780809 1434556435 /nfs/dbraw/zinc/55/64/35/1434556435.db2.gz AIIDVTZERIIIOW-MRXNPFEDSA-N 2 0 395.594 3.137 20 0 GGADRP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268782815 1434556910 /nfs/dbraw/zinc/55/69/10/1434556910.db2.gz BGHYCRQCOJZVCU-SFHVURJKSA-N 2 0 390.549 3.142 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCN1Cc1ccccc1 ZINC000268808443 1434559770 /nfs/dbraw/zinc/55/97/70/1434559770.db2.gz LMMSHKOKQOVHQC-REWPJTCUSA-N 2 0 384.612 3.188 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000268815519 1434560580 /nfs/dbraw/zinc/56/05/80/1434560580.db2.gz FJHBJLJONLFYGS-JOCHJYFZSA-N 2 0 381.520 3.154 20 0 GGADRP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268822571 1434561169 /nfs/dbraw/zinc/56/11/69/1434561169.db2.gz SHUYZFKRXBVXDA-SFHVURJKSA-N 2 0 390.549 3.142 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268859582 1434565283 /nfs/dbraw/zinc/56/52/83/1434565283.db2.gz FOJRUAIZUOIRAA-GOSISDBHSA-N 2 0 399.535 3.431 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859377 1434565315 /nfs/dbraw/zinc/56/53/15/1434565315.db2.gz YIHXAJVLCSATDH-XUZZJYLKSA-N 2 0 387.612 3.420 20 0 GGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000268866318 1434565956 /nfs/dbraw/zinc/56/59/56/1434565956.db2.gz JCCZQIKRSISCLA-SFHVURJKSA-N 2 0 397.519 3.477 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000268872900 1434566702 /nfs/dbraw/zinc/56/67/02/1434566702.db2.gz UYJADFNKIZPPAR-GOSISDBHSA-N 2 0 391.519 3.015 20 0 GGADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875020 1434566900 /nfs/dbraw/zinc/56/69/00/1434566900.db2.gz GTWFUXVZLQCRDP-DENIHFKCSA-N 2 0 393.531 3.170 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000268902641 1434569359 /nfs/dbraw/zinc/56/93/59/1434569359.db2.gz RFPGOWFAOFZHGF-KRWDZBQOSA-N 2 0 399.535 3.487 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268911087 1434570348 /nfs/dbraw/zinc/57/03/48/1434570348.db2.gz NAVKNKQMONZMCJ-OPAMFIHVSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000269024995 1434583036 /nfs/dbraw/zinc/58/30/36/1434583036.db2.gz REWHHNMWVPKOLY-UHFFFAOYSA-N 2 0 379.976 3.129 20 0 GGADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269055589 1434586170 /nfs/dbraw/zinc/58/61/70/1434586170.db2.gz GLRFPTMLMLERAI-DHIUTWEWSA-N 2 0 399.579 3.170 20 0 GGADRP Cc1nccn1CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000269196772 1434605559 /nfs/dbraw/zinc/60/55/59/1434605559.db2.gz GRCRQHDLZQXUID-PMACEKPBSA-N 2 0 378.480 3.006 20 0 GGADRP [NH3+]C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000269224693 1434609677 /nfs/dbraw/zinc/60/96/77/1434609677.db2.gz CCJABPUJPUZFAG-OAQYLSRUSA-N 2 0 394.519 3.182 20 0 GGADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000269249633 1434613315 /nfs/dbraw/zinc/61/33/15/1434613315.db2.gz GIZBXKINLXOLJQ-UXHICEINSA-N 2 0 378.520 3.075 20 0 GGADRP [NH3+]CCCCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000269312312 1434621584 /nfs/dbraw/zinc/62/15/84/1434621584.db2.gz XJQPICBZMKWTPS-UHFFFAOYSA-N 2 0 395.551 3.252 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000269482136 1434652225 /nfs/dbraw/zinc/65/22/25/1434652225.db2.gz GESFITAMOROOIS-ATZDWAIDSA-N 2 0 376.570 3.009 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000269620813 1434663986 /nfs/dbraw/zinc/66/39/86/1434663986.db2.gz PWUNTRZRRYACGO-GOSISDBHSA-N 2 0 387.572 3.171 20 0 GGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000270050851 1434696798 /nfs/dbraw/zinc/69/67/98/1434696798.db2.gz MFLVEDFWJVHZFP-OAQYLSRUSA-N 2 0 384.568 3.024 20 0 GGADRP CC[N@H+](CCCC1CC[NH+](CCn2ccnc2C)CC1)CCn1ccnc1C ZINC000270810108 1434777384 /nfs/dbraw/zinc/77/73/84/1434777384.db2.gz CZVUEHLLNPOBOR-UHFFFAOYSA-N 2 0 386.588 3.211 20 0 GGADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc2)n1 ZINC000270995956 1434794238 /nfs/dbraw/zinc/79/42/38/1434794238.db2.gz YKJRAWPWMUPZNG-UHFFFAOYSA-N 2 0 395.595 3.480 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271205531 1434807843 /nfs/dbraw/zinc/80/78/43/1434807843.db2.gz JYYLSLYHDAOQPT-UHFFFAOYSA-N 2 0 381.568 3.376 20 0 GGADRP Cc1ncc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1-c1ccccc1 ZINC000271217878 1434808813 /nfs/dbraw/zinc/80/88/13/1434808813.db2.gz NRJVOBWZKDPTNM-UHFFFAOYSA-N 2 0 381.568 3.171 20 0 GGADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000271232787 1434809821 /nfs/dbraw/zinc/80/98/21/1434809821.db2.gz VDKPWLMCXUXIFS-UHFFFAOYSA-N 2 0 381.568 3.171 20 0 GGADRP C[NH+](CCCCCCCC[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271288623 1434813322 /nfs/dbraw/zinc/81/33/22/1434813322.db2.gz BRYZFQPUQMGJSR-UHFFFAOYSA-N 2 0 384.572 3.256 20 0 GGADRP C[C@@H](C[NH+]1CC[C@H](C)[C@H](n2ccnc2)C1)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271288631 1434813438 /nfs/dbraw/zinc/81/34/38/1434813438.db2.gz MDPNOPJLMFCCMR-KGWSWXIGSA-N 2 0 384.572 3.182 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271437705 1434824720 /nfs/dbraw/zinc/82/47/20/1434824720.db2.gz XCMOOGOJMWMIGU-INIZCTEOSA-N 2 0 391.581 3.474 20 0 GGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC000271537324 1434833073 /nfs/dbraw/zinc/83/30/73/1434833073.db2.gz SCRCHKFLAIRGNH-IAOVAPTHSA-N 2 0 384.467 3.325 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271567308 1434835690 /nfs/dbraw/zinc/83/56/90/1434835690.db2.gz YAPROQIQYQYESE-MTNREXPMSA-N 2 0 398.551 3.028 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(CCCC(=O)OC)CC2)cc1 ZINC000271713438 1434845774 /nfs/dbraw/zinc/84/57/74/1434845774.db2.gz BORYWQCWLNKUSE-UHFFFAOYSA-N 2 0 375.557 3.036 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000271856166 1434855058 /nfs/dbraw/zinc/85/50/58/1434855058.db2.gz NHBQFIBUGXLXHW-INIZCTEOSA-N 2 0 375.538 3.027 20 0 GGADRP COC(=O)CCC[NH+]1CCC(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000271856677 1434855227 /nfs/dbraw/zinc/85/52/27/1434855227.db2.gz XOXQZCCLFLDVFX-GOSISDBHSA-N 2 0 375.557 3.123 20 0 GGADRP COC(=O)CCC[NH+]1CCC(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000271856679 1434855276 /nfs/dbraw/zinc/85/52/76/1434855276.db2.gz XOXQZCCLFLDVFX-SFHVURJKSA-N 2 0 375.557 3.123 20 0 GGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271866130 1434855756 /nfs/dbraw/zinc/85/57/56/1434855756.db2.gz PCBPMZOCROYTOJ-INIZCTEOSA-N 2 0 375.538 3.025 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)CC2)CC1 ZINC000272094056 1434871716 /nfs/dbraw/zinc/87/17/16/1434871716.db2.gz FBRKLNOSDCRESN-UHFFFAOYSA-N 2 0 387.568 3.290 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272160664 1434875479 /nfs/dbraw/zinc/87/54/79/1434875479.db2.gz DMBSQJVDVIMLFY-CGTJXYLNSA-N 2 0 383.458 3.040 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272160671 1434875562 /nfs/dbraw/zinc/87/55/62/1434875562.db2.gz DMBSQJVDVIMLFY-SZMVWBNQSA-N 2 0 383.458 3.040 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272207994 1434878224 /nfs/dbraw/zinc/87/82/24/1434878224.db2.gz PRRMXHIEDQYANJ-NQIIRXRSSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212415 1434878358 /nfs/dbraw/zinc/87/83/58/1434878358.db2.gz QJJNJXTXVZUVQT-ICSRJNTNSA-N 2 0 386.584 3.459 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272277144 1434883625 /nfs/dbraw/zinc/88/36/25/1434883625.db2.gz FBFGRKNXFGFLGI-BAGYTPMASA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307544 1434885904 /nfs/dbraw/zinc/88/59/04/1434885904.db2.gz IDQGIOIDJWCVLW-AZUAARDMSA-N 2 0 381.520 3.384 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307456 1434886006 /nfs/dbraw/zinc/88/60/06/1434886006.db2.gz IBIIUPNVMYUCCE-WFXMLNOXSA-N 2 0 376.508 3.224 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272305638 1434886033 /nfs/dbraw/zinc/88/60/33/1434886033.db2.gz JTFAGWACWDNWID-NNWRFLSQSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400182 1434893896 /nfs/dbraw/zinc/89/38/96/1434893896.db2.gz YSPHCUZGOQVKFJ-PMOQBDJRSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272470376 1434898506 /nfs/dbraw/zinc/89/85/06/1434898506.db2.gz IFPXLWIKYIOWKK-ILWGZMRPSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272470386 1434898510 /nfs/dbraw/zinc/89/85/10/1434898510.db2.gz IFPXLWIKYIOWKK-NNWRFLSQSA-N 2 0 384.568 3.024 20 0 GGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H]2C1 ZINC000272472532 1434898720 /nfs/dbraw/zinc/89/87/20/1434898720.db2.gz QKWHTNRMAPFDQS-PXNSSMCTSA-N 2 0 390.959 3.040 20 0 GGADRP Cc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(OCC[NH+](C)C)c1 ZINC000272536656 1434905381 /nfs/dbraw/zinc/90/53/81/1434905381.db2.gz GILQGCCGUPLVEP-QGZVFWFLSA-N 2 0 376.545 3.129 20 0 GGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272543428 1434906080 /nfs/dbraw/zinc/90/60/80/1434906080.db2.gz QDTYTHULIFLKAY-KNQAVFIVSA-N 2 0 386.584 3.270 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272569581 1434908748 /nfs/dbraw/zinc/90/87/48/1434908748.db2.gz SWJJUWZIMRMVHY-CTNGQTDRSA-N 2 0 386.584 3.413 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272569590 1434908847 /nfs/dbraw/zinc/90/88/47/1434908847.db2.gz SWJJUWZIMRMVHY-PZJWPPBQSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000272579356 1434910442 /nfs/dbraw/zinc/91/04/42/1434910442.db2.gz MGKNYCNIVWVGLJ-RYFAJOAYSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668509 1434921132 /nfs/dbraw/zinc/92/11/32/1434921132.db2.gz OSHQSZFYVHHGTR-WMZHIEFXSA-N 2 0 375.520 3.327 20 0 GGADRP C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272686438 1434922584 /nfs/dbraw/zinc/92/25/84/1434922584.db2.gz UNWGLYNNFYCCGM-FUHWJXTLSA-N 2 0 387.474 3.195 20 0 GGADRP C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272686442 1434922613 /nfs/dbraw/zinc/92/26/13/1434922613.db2.gz UNWGLYNNFYCCGM-WMZOPIPTSA-N 2 0 387.474 3.195 20 0 GGADRP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272708750 1434924996 /nfs/dbraw/zinc/92/49/96/1434924996.db2.gz JZZFGPSPDYORDP-QGZVFWFLSA-N 2 0 388.581 3.050 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000272794230 1434931493 /nfs/dbraw/zinc/93/14/93/1434931493.db2.gz YICIHTWMAIFITJ-DEOSSOPVSA-N 2 0 379.548 3.402 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272889601 1434938984 /nfs/dbraw/zinc/93/89/84/1434938984.db2.gz YZWBOGPJGQKCOS-FRQCXROJSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000272963374 1434944701 /nfs/dbraw/zinc/94/47/01/1434944701.db2.gz NRGXXKXVEKXJSB-VJBMBRPKSA-N 2 0 396.579 3.333 20 0 GGADRP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272986310 1434946856 /nfs/dbraw/zinc/94/68/56/1434946856.db2.gz PONFUFSWKIAYQC-IPJJNNNSSA-N 2 0 384.568 3.331 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000272994100 1434947870 /nfs/dbraw/zinc/94/78/70/1434947870.db2.gz QKBKVZATCHXSDA-CTNGQTDRSA-N 2 0 384.568 3.190 20 0 GGADRP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000273045689 1434954624 /nfs/dbraw/zinc/95/46/24/1434954624.db2.gz PXLHJTLZCMGBHT-BBDDESMNSA-N 2 0 384.568 3.199 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273172846 1434968792 /nfs/dbraw/zinc/96/87/92/1434968792.db2.gz MRYCOSWIVIXJTG-GOSISDBHSA-N 2 0 383.536 3.454 20 0 GGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000273239591 1434974654 /nfs/dbraw/zinc/97/46/54/1434974654.db2.gz YMQMZDMMBARRDL-QGZVFWFLSA-N 2 0 386.492 3.030 20 0 GGADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000273239587 1434974766 /nfs/dbraw/zinc/97/47/66/1434974766.db2.gz YMQMZDMMBARRDL-KRWDZBQOSA-N 2 0 386.492 3.030 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000273371396 1434984064 /nfs/dbraw/zinc/98/40/64/1434984064.db2.gz FETKFOXOXZEFDU-JOCHJYFZSA-N 2 0 377.488 3.098 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273410915 1434987098 /nfs/dbraw/zinc/98/70/98/1434987098.db2.gz ISRSMJDSHAIJKZ-KNKQGSTJSA-N 2 0 386.584 3.411 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273410927 1434987111 /nfs/dbraw/zinc/98/71/11/1434987111.db2.gz ISRSMJDSHAIJKZ-XQBPLPMBSA-N 2 0 386.584 3.411 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000273499162 1434992759 /nfs/dbraw/zinc/99/27/59/1434992759.db2.gz YFIQHBASZPESQE-SJLPKXTDSA-N 2 0 378.586 3.257 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000273568865 1434997362 /nfs/dbraw/zinc/99/73/62/1434997362.db2.gz GGCVLNAAFAALMD-DNVJHFABSA-N 2 0 387.568 3.033 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784945 1435092324 /nfs/dbraw/zinc/09/23/24/1435092324.db2.gz AQUHYMPEIDBYHM-KUWBRRTOSA-N 2 0 396.531 3.129 20 0 GGADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274854451 1435098073 /nfs/dbraw/zinc/09/80/73/1435098073.db2.gz RXDVFZRFYRWGEQ-PTUXOGIPSA-N 2 0 398.547 3.073 20 0 GGADRP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000274872521 1435100026 /nfs/dbraw/zinc/10/00/26/1435100026.db2.gz FXUYMQCAJHIJRE-NQIIRXRSSA-N 2 0 384.520 3.067 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894721 1435101484 /nfs/dbraw/zinc/10/14/84/1435101484.db2.gz JZQIFEHTJSAMRW-DENIHFKCSA-N 2 0 375.520 3.327 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894722 1435101549 /nfs/dbraw/zinc/10/15/49/1435101549.db2.gz JZQIFEHTJSAMRW-KNQAVFIVSA-N 2 0 375.520 3.327 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274903692 1435102565 /nfs/dbraw/zinc/10/25/65/1435102565.db2.gz LSBYODIMVDCEFO-XMSQKQJNSA-N 2 0 386.561 3.231 20 0 GGADRP C[NH+]1CCC([C@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000275156162 1435119640 /nfs/dbraw/zinc/11/96/40/1435119640.db2.gz TVCMEDWYTUZJDK-QFIPXVFZSA-N 2 0 383.580 3.479 20 0 GGADRP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000275399690 1435136628 /nfs/dbraw/zinc/13/66/28/1435136628.db2.gz CJSMYNBCYKSRNQ-FPQOSCNCSA-N 2 0 380.536 3.140 20 0 GGADRP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000275532391 1435146202 /nfs/dbraw/zinc/14/62/02/1435146202.db2.gz LYUIFJZCXPHMQF-XIFQGDJWSA-N 2 0 394.563 3.481 20 0 GGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000275879586 1435176644 /nfs/dbraw/zinc/17/66/44/1435176644.db2.gz OWXRBKZHZUMLPI-HSZRJFAPSA-N 2 0 393.535 3.448 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000276458068 1435212563 /nfs/dbraw/zinc/21/25/63/1435212563.db2.gz BSEUDLQWOKCLMG-OAHLLOKOSA-N 2 0 391.537 3.154 20 0 GGADRP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276583708 1435218923 /nfs/dbraw/zinc/21/89/23/1435218923.db2.gz IMBBYZWGGVMJSO-UHFFFAOYSA-N 2 0 378.520 3.133 20 0 GGADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276707299 1435226679 /nfs/dbraw/zinc/22/66/79/1435226679.db2.gz WHFCQKZIMKVODF-UHFFFAOYSA-N 2 0 395.572 3.484 20 0 GGADRP CC[NH+](CC)CCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000276860936 1435238182 /nfs/dbraw/zinc/23/81/82/1435238182.db2.gz GHTSRQHUGRTDGL-UHFFFAOYSA-N 2 0 391.585 3.080 20 0 GGADRP C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)[NH+]1CCCCCC1 ZINC000276925865 1435243522 /nfs/dbraw/zinc/24/35/22/1435243522.db2.gz NGZDWMBVODQFOU-KRWDZBQOSA-N 2 0 384.528 3.211 20 0 GGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000277032551 1435254229 /nfs/dbraw/zinc/25/42/29/1435254229.db2.gz FKSKHDDEQRLMQU-PMVMPFDFSA-N 2 0 391.563 3.336 20 0 GGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000277032546 1435254264 /nfs/dbraw/zinc/25/42/64/1435254264.db2.gz FKSKHDDEQRLMQU-ACIOBRDBSA-N 2 0 391.563 3.336 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)cc1Cl ZINC000277036060 1435254822 /nfs/dbraw/zinc/25/48/22/1435254822.db2.gz BMRTXGODVROUNO-CQSZACIVSA-N 2 0 383.920 3.102 20 0 GGADRP COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000277111758 1435262999 /nfs/dbraw/zinc/26/29/99/1435262999.db2.gz VOEIVRAJZKPRTA-JKSUJKDBSA-N 2 0 397.519 3.184 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1O ZINC000277183988 1435275045 /nfs/dbraw/zinc/27/50/45/1435275045.db2.gz IBTBHRATNRFGKE-SFHVURJKSA-N 2 0 398.547 3.468 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1O ZINC000277233091 1435282362 /nfs/dbraw/zinc/28/23/62/1435282362.db2.gz NJTFHUMXFZEBER-SFHVURJKSA-N 2 0 398.547 3.468 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000277364740 1435298982 /nfs/dbraw/zinc/29/89/82/1435298982.db2.gz UZOKOXUAUXVUAV-UYAOXDASSA-N 2 0 397.485 3.384 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)cc1 ZINC000277550541 1435312261 /nfs/dbraw/zinc/31/22/61/1435312261.db2.gz YRHJIIJMPULXKW-UHFFFAOYSA-N 2 0 392.507 3.415 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000277727120 1435324908 /nfs/dbraw/zinc/32/49/08/1435324908.db2.gz GUBFNGCZIMCTQQ-GOSISDBHSA-N 2 0 376.570 3.059 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000277727121 1435325008 /nfs/dbraw/zinc/32/50/08/1435325008.db2.gz GUBFNGCZIMCTQQ-SFHVURJKSA-N 2 0 376.570 3.059 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1 ZINC000277846560 1435335655 /nfs/dbraw/zinc/33/56/55/1435335655.db2.gz YMIFFCUYCYDUHE-UHFFFAOYSA-N 2 0 397.567 3.106 20 0 GGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OCc1ccncc1 ZINC000278059260 1435354921 /nfs/dbraw/zinc/35/49/21/1435354921.db2.gz YQFAAZHSIKSQOS-LJQANCHMSA-N 2 0 399.535 3.260 20 0 GGADRP C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278289477 1435376768 /nfs/dbraw/zinc/37/67/68/1435376768.db2.gz ZPGQHJCAFXBHFZ-NQIIRXRSSA-N 2 0 384.568 3.071 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371591 1435384706 /nfs/dbraw/zinc/38/47/06/1435384706.db2.gz BZGHCNPNMKHCLI-RBUKOAKNSA-N 2 0 386.540 3.092 20 0 GGADRP Cn1nccc1N1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278506207 1435395787 /nfs/dbraw/zinc/39/57/87/1435395787.db2.gz QXSGYZRRQOKWSR-YUMYIRISSA-N 2 0 379.552 3.174 20 0 GGADRP CC[N@H+](CCCC1CC[NH+](Cc2ccnc(N)c2)CC1)Cc1ccnc(N)c1 ZINC000278819127 1435426670 /nfs/dbraw/zinc/42/66/70/1435426670.db2.gz IDWDGCRHRRKFNY-UHFFFAOYSA-N 2 0 382.556 3.155 20 0 GGADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000278896647 1435437098 /nfs/dbraw/zinc/43/70/98/1435437098.db2.gz RAHXPGDBXICRQO-HXUWFJFHSA-N 2 0 399.579 3.000 20 0 GGADRP CCCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000279104959 1435460955 /nfs/dbraw/zinc/46/09/55/1435460955.db2.gz XRIXHNPNOULYBH-UXHICEINSA-N 2 0 395.551 3.003 20 0 GGADRP CN(C)[C@@H](CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccco1 ZINC000279255914 1435477968 /nfs/dbraw/zinc/47/79/68/1435477968.db2.gz PZRPTAAICZBJJB-SFHVURJKSA-N 2 0 385.512 3.004 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279745957 1435537732 /nfs/dbraw/zinc/53/77/32/1435537732.db2.gz PQWJYXKAIWWQIE-RUZDIDTESA-N 2 0 395.591 3.234 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279794470 1435544181 /nfs/dbraw/zinc/54/41/81/1435544181.db2.gz VRONEFUVYRGAKJ-VWLOTQADSA-N 2 0 395.591 3.234 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000279961699 1435570013 /nfs/dbraw/zinc/57/00/13/1435570013.db2.gz CIDRXHOIBVXLHC-IRLDBZIGSA-N 2 0 396.531 3.438 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)c4ccccc4)nc3)C2)CC1 ZINC000280619230 1435690914 /nfs/dbraw/zinc/69/09/14/1435690914.db2.gz BKYLDNHMYMRQJV-QFIPXVFZSA-N 2 0 379.552 3.061 20 0 GGADRP CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000280701219 1435706114 /nfs/dbraw/zinc/70/61/14/1435706114.db2.gz SKEOVFMZKLBLJN-UHFFFAOYSA-N 2 0 393.579 3.498 20 0 GGADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000280752675 1435714743 /nfs/dbraw/zinc/71/47/43/1435714743.db2.gz QAAZLGUTMIPVMS-OAQYLSRUSA-N 2 0 384.499 3.303 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280784364 1435720012 /nfs/dbraw/zinc/72/00/12/1435720012.db2.gz FXMWWFBXSUCGHE-QRVBRYPASA-N 2 0 377.573 3.059 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923680 1435742306 /nfs/dbraw/zinc/74/23/06/1435742306.db2.gz RFTQNJXVYLGTLR-DHIUTWEWSA-N 2 0 392.547 3.410 20 0 GGADRP COCCC(=O)N1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000281021645 1435757904 /nfs/dbraw/zinc/75/79/04/1435757904.db2.gz OJGYQXCANYMSEY-UHFFFAOYSA-N 2 0 387.568 3.047 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccnn1-c1ccccc1 ZINC000281110633 1435776062 /nfs/dbraw/zinc/77/60/62/1435776062.db2.gz CICCLBFFKFIMBT-GOSISDBHSA-N 2 0 391.519 3.015 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000281120345 1435778784 /nfs/dbraw/zinc/77/87/84/1435778784.db2.gz DCPSAQCJXMRYOW-RTWAWAEBSA-N 2 0 379.552 3.353 20 0 GGADRP CN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000281356698 1435805311 /nfs/dbraw/zinc/80/53/11/1435805311.db2.gz XLBZIOKVQQACBB-UHFFFAOYSA-N 2 0 378.586 3.087 20 0 GGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000281649817 1435817128 /nfs/dbraw/zinc/81/71/28/1435817128.db2.gz MTQHTJOTTNMKRA-UHFFFAOYSA-N 2 0 380.492 3.111 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281782401 1435821839 /nfs/dbraw/zinc/82/18/39/1435821839.db2.gz MPKCAMLWKUYROY-QFIPXVFZSA-N 2 0 399.583 3.142 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281782399 1435821845 /nfs/dbraw/zinc/82/18/45/1435821845.db2.gz MPKCAMLWKUYROY-JOCHJYFZSA-N 2 0 399.583 3.142 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281887747 1435825503 /nfs/dbraw/zinc/82/55/03/1435825503.db2.gz ASXCFJRXDPXSCV-DENIHFKCSA-N 2 0 399.579 3.095 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000282051041 1435832640 /nfs/dbraw/zinc/83/26/40/1435832640.db2.gz LZUXVYAPTCISRL-MRXNPFEDSA-N 2 0 379.499 3.498 20 0 GGADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000282149930 1435836500 /nfs/dbraw/zinc/83/65/00/1435836500.db2.gz LBWQBPHGTAXGJZ-NFBKMPQASA-N 2 0 390.568 3.471 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)s2)cn1 ZINC000282156135 1435836669 /nfs/dbraw/zinc/83/66/69/1435836669.db2.gz CJVAJDMQVBCFQK-HXUWFJFHSA-N 2 0 396.560 3.395 20 0 GGADRP CN(c1ccccc1C[NH2+]C1CCN(c2nccs2)CC1)C1CC[NH+](C)CC1 ZINC000282336161 1435843608 /nfs/dbraw/zinc/84/36/08/1435843608.db2.gz URQZDGNVWJUWMZ-UHFFFAOYSA-N 2 0 399.608 3.432 20 0 GGADRP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411999 1435846276 /nfs/dbraw/zinc/84/62/76/1435846276.db2.gz GALFJZPBXDDOBN-OEMFJLHTSA-N 2 0 389.543 3.213 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000282668548 1435855744 /nfs/dbraw/zinc/85/57/44/1435855744.db2.gz GTWPNJIBLSFGQE-TZIWHRDSSA-N 2 0 384.568 3.071 20 0 GGADRP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000282675101 1435856109 /nfs/dbraw/zinc/85/61/09/1435856109.db2.gz NWICTVGGPUKAPS-UHFFFAOYSA-N 2 0 382.508 3.434 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000282685098 1435856312 /nfs/dbraw/zinc/85/63/12/1435856312.db2.gz AIOGOUSWLBKMOP-BHIFYINESA-N 2 0 387.568 3.030 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282740660 1435858598 /nfs/dbraw/zinc/85/85/98/1435858598.db2.gz LWGGXMJACHCKCN-OAQYLSRUSA-N 2 0 387.568 3.103 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000282998253 1435869674 /nfs/dbraw/zinc/86/96/74/1435869674.db2.gz QWYVNRFNBRMGNW-HMXCVIKNSA-N 2 0 386.584 3.269 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283098700 1435874378 /nfs/dbraw/zinc/87/43/78/1435874378.db2.gz ZQUPLZOCMSVFDS-OAQYLSRUSA-N 2 0 386.584 3.459 20 0 GGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2ccccc21 ZINC000283167098 1435877618 /nfs/dbraw/zinc/87/76/18/1435877618.db2.gz IXNXUQPMDIGDBX-VXKWHMMOSA-N 2 0 387.568 3.176 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320070 1435884223 /nfs/dbraw/zinc/88/42/23/1435884223.db2.gz OQRBHNNLEYGGCX-FCHUYYIVSA-N 2 0 377.548 3.394 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320080 1435884236 /nfs/dbraw/zinc/88/42/36/1435884236.db2.gz OQRBHNNLEYGGCX-VXKWHMMOSA-N 2 0 377.548 3.394 20 0 GGADRP CC(C)OC(=O)C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000283449347 1435890352 /nfs/dbraw/zinc/89/03/52/1435890352.db2.gz YCWFPBLHGLKDDA-OAQYLSRUSA-N 2 0 375.557 3.075 20 0 GGADRP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC12CCOCC2 ZINC000283468542 1435891194 /nfs/dbraw/zinc/89/11/94/1435891194.db2.gz WAVSNMQABCCXSI-VJFDXUIRSA-N 2 0 384.564 3.054 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c2ccccc21 ZINC000283482693 1435891939 /nfs/dbraw/zinc/89/19/39/1435891939.db2.gz XGFDGYXUUSOMLV-VLCRHTCISA-N 2 0 387.568 3.031 20 0 GGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000283946980 1435958862 /nfs/dbraw/zinc/95/88/62/1435958862.db2.gz FPPRQHPEFXGBEP-KRWDZBQOSA-N 2 0 391.556 3.015 20 0 GGADRP CC(C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000284076472 1435985763 /nfs/dbraw/zinc/98/57/63/1435985763.db2.gz LOOBLYRTJANVJM-VHYCJAOWSA-N 3 0 386.628 3.291 20 0 GGADRP CC(C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000284076467 1435986123 /nfs/dbraw/zinc/98/61/23/1435986123.db2.gz LOOBLYRTJANVJM-KXTRFFEISA-N 3 0 386.628 3.291 20 0 GGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H](n2cncn2)C1 ZINC000284338699 1436014077 /nfs/dbraw/zinc/01/40/77/1436014077.db2.gz XRCRGCFCQHVQKU-ZPMCFJSWSA-N 2 0 383.540 3.271 20 0 GGADRP CO[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000284343898 1436014763 /nfs/dbraw/zinc/01/47/63/1436014763.db2.gz JPBPCZDFVFDEMQ-QFIPXVFZSA-N 2 0 387.568 3.078 20 0 GGADRP c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)cc1 ZINC001164625976 719046914 /nfs/dbraw/zinc/04/69/14/719046914.db2.gz QAUJMWSPYDATBA-URXFXBBRSA-N 2 0 392.547 3.140 20 0 GGADRP Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164629169 719058061 /nfs/dbraw/zinc/05/80/61/719058061.db2.gz WHKLCWHORMEUSB-LEWJYISDSA-N 2 0 377.536 3.486 20 0 GGADRP Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)C[NH2+]CC2 ZINC001164629899 719093979 /nfs/dbraw/zinc/09/39/79/719093979.db2.gz UCNHHZGWWCFZSM-UWJYYQICSA-N 2 0 382.939 3.482 20 0 GGADRP C[NH+](C)Cc1ccnc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164647273 719297068 /nfs/dbraw/zinc/29/70/68/719297068.db2.gz DGVDWSBEXOWXHZ-IRLDBZIGSA-N 2 0 384.499 3.332 20 0 GGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164710619 720098854 /nfs/dbraw/zinc/09/88/54/720098854.db2.gz KEBJXKBSSDKFBV-FQEVSTJZSA-N 2 0 391.519 3.465 20 0 GGADRP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164823293 720328575 /nfs/dbraw/zinc/32/85/75/720328575.db2.gz AIUWZEYXKLRZCT-FCHUYYIVSA-N 2 0 392.547 3.455 20 0 GGADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164735513 720526531 /nfs/dbraw/zinc/52/65/31/720526531.db2.gz ZALNJGWYHNKRQH-GOSISDBHSA-N 2 0 390.535 3.230 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1 ZINC001164735012 720532399 /nfs/dbraw/zinc/53/23/99/720532399.db2.gz MPBGMTOURNUCEH-FPOVZHCZSA-N 2 0 396.583 3.413 20 0 GGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164835521 720555695 /nfs/dbraw/zinc/55/56/95/720555695.db2.gz HQRIIIUGGKJJHI-LVCYWYKZSA-N 2 0 378.524 3.446 20 0 GGADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164834289 720556252 /nfs/dbraw/zinc/55/62/52/720556252.db2.gz DGZCJYOUKGRDOO-SVFBPWRDSA-N 2 0 383.540 3.443 20 0 GGADRP COc1ccc2c(cc[nH+]c2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164733080 720556538 /nfs/dbraw/zinc/55/65/38/720556538.db2.gz JFRQVZPWBDHXJK-UHFFFAOYSA-N 2 0 377.492 3.098 20 0 GGADRP Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(N(C)C)[nH+]1 ZINC001164841003 720665806 /nfs/dbraw/zinc/66/58/06/720665806.db2.gz OOWYEBXACKGQNB-HXUWFJFHSA-N 2 0 395.551 3.111 20 0 GGADRP Cc1cc(N2CCCC2)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164858324 720917110 /nfs/dbraw/zinc/91/71/10/720917110.db2.gz MQHSGLUEVKCZPT-KRWDZBQOSA-N 2 0 383.544 3.003 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@H]2C ZINC001164857227 720998468 /nfs/dbraw/zinc/99/84/68/720998468.db2.gz DSSQXJRMYFAOQJ-SFHVURJKSA-N 2 0 382.556 3.295 20 0 GGADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)CC2)cc1 ZINC001164759597 721043989 /nfs/dbraw/zinc/04/39/89/721043989.db2.gz PKNABRXSEJREBC-UHFFFAOYSA-N 2 0 377.536 3.271 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)cc(C)[nH+]3)C2)C1 ZINC001164778037 721333513 /nfs/dbraw/zinc/33/35/13/721333513.db2.gz TUKCBSKBBVTQDF-JOCHJYFZSA-N 2 0 384.524 3.422 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC001164778562 721335990 /nfs/dbraw/zinc/33/59/90/721335990.db2.gz XKQRGGGYYAJMCK-QFIPXVFZSA-N 2 0 395.507 3.287 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC001164778478 721336140 /nfs/dbraw/zinc/33/61/40/721336140.db2.gz XKQRGGGYYAJMCK-JOCHJYFZSA-N 2 0 395.507 3.287 20 0 GGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164783516 721451312 /nfs/dbraw/zinc/45/13/12/721451312.db2.gz CEDGIOZBVZKZEB-LJQANCHMSA-N 2 0 398.551 3.297 20 0 GGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164783512 721451355 /nfs/dbraw/zinc/45/13/55/721451355.db2.gz CEDGIOZBVZKZEB-IBGZPJMESA-N 2 0 398.551 3.297 20 0 GGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164790241 721452769 /nfs/dbraw/zinc/45/27/69/721452769.db2.gz XNMJPFDBYVBOQB-HXUWFJFHSA-N 2 0 398.551 3.297 20 0 GGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164791243 721468707 /nfs/dbraw/zinc/46/87/07/721468707.db2.gz VYKFUTLJBMRKNK-NRFANRHFSA-N 2 0 387.568 3.432 20 0 GGADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164906772 721544095 /nfs/dbraw/zinc/54/40/95/721544095.db2.gz LHOVFLXVXYIMRQ-FPOVZHCZSA-N 2 0 382.483 3.163 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906424 721565250 /nfs/dbraw/zinc/56/52/50/721565250.db2.gz IZZBNKQOBLGPQE-IFMALSPDSA-N 2 0 396.510 3.158 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906426 721565407 /nfs/dbraw/zinc/56/54/07/721565407.db2.gz IZZBNKQOBLGPQE-RBBKRZOGSA-N 2 0 396.510 3.158 20 0 GGADRP Cc1[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc2[nH]ccc21 ZINC001164805378 721572106 /nfs/dbraw/zinc/57/21/06/721572106.db2.gz NDKGDDVXSYNOCU-ONTIZHBOSA-N 2 0 377.492 3.135 20 0 GGADRP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020415 721798079 /nfs/dbraw/zinc/79/80/79/721798079.db2.gz FRPKDGPQBVYFMU-CEWLAPEOSA-N 2 0 394.567 3.373 20 0 GGADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027561 721827538 /nfs/dbraw/zinc/82/75/38/721827538.db2.gz SQTJEPJGKZLPJF-BVSLBCMMSA-N 2 0 379.552 3.275 20 0 GGADRP c1cc2c[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2[nH]1 ZINC001164959510 722052750 /nfs/dbraw/zinc/05/27/50/722052750.db2.gz LOIZNTQNFUTKPW-UHFFFAOYSA-N 2 0 377.492 3.077 20 0 GGADRP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958806 722054008 /nfs/dbraw/zinc/05/40/08/722054008.db2.gz GNMSHRYSKGUILQ-UHFFFAOYSA-N 2 0 391.519 3.087 20 0 GGADRP Cc1cc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]1 ZINC001164963877 722056534 /nfs/dbraw/zinc/05/65/34/722056534.db2.gz PKLANOGYCMMTRK-UHFFFAOYSA-N 2 0 391.519 3.385 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824613614 946864369 /nfs/dbraw/zinc/86/43/69/946864369.db2.gz VUTQLURELXSFLW-HNNXBMFYSA-N 2 0 380.471 3.452 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC001576163960 949545889 /nfs/dbraw/zinc/54/58/89/949545889.db2.gz DPBRWZRWQYPMKL-GOSISDBHSA-N 2 0 398.555 3.222 20 0 GGADRP Cc1ccccc1C[C@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000466917407 1126094373 /nfs/dbraw/zinc/09/43/73/1126094373.db2.gz PQBVOEDHBKNTPY-LJQANCHMSA-N 2 0 387.955 3.093 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001177821591 1126150551 /nfs/dbraw/zinc/15/05/51/1126150551.db2.gz AEQAGOGBSJMXMG-WOJBJXKFSA-N 2 0 396.453 3.251 20 0 GGADRP CC(C)(CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000058179450 205167078 /nfs/dbraw/zinc/16/70/78/205167078.db2.gz GFAWXQCMADHDMW-NRFANRHFSA-N 2 0 386.584 3.462 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000058326817 205171900 /nfs/dbraw/zinc/17/19/00/205171900.db2.gz HQUNBMLYNZYJSQ-GOSISDBHSA-N 2 0 386.565 3.325 20 0 GGADRP C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br)CN1CC[NH+](C)CC1 ZINC000121002592 564347954 /nfs/dbraw/zinc/34/79/54/564347954.db2.gz RRTQAELNALRNGO-VKJFTORMSA-N 2 0 380.374 3.471 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000124319610 564478774 /nfs/dbraw/zinc/47/87/74/564478774.db2.gz SQUKJKPALNUECH-HNNXBMFYSA-N 2 0 398.389 3.382 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125441946 564514676 /nfs/dbraw/zinc/51/46/76/564514676.db2.gz LDKCYINNVOYMQU-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP CSCC[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126365844 564546630 /nfs/dbraw/zinc/54/66/30/564546630.db2.gz NOYSJPOHWQYOAK-INIZCTEOSA-N 2 0 381.611 3.247 20 0 GGADRP COCCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127484722 564585612 /nfs/dbraw/zinc/58/56/12/564585612.db2.gz JSTBZHAOFXTIJT-APWZRJJASA-N 2 0 398.389 3.142 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000127600819 564589937 /nfs/dbraw/zinc/58/99/37/564589937.db2.gz HQADAVUHZPGQML-XJKSGUPXSA-N 2 0 384.387 3.212 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000056524817 564649981 /nfs/dbraw/zinc/64/99/81/564649981.db2.gz QEROUPFHUQGFFF-HNNXBMFYSA-N 2 0 396.373 3.290 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000132372399 564741711 /nfs/dbraw/zinc/74/17/11/564741711.db2.gz WMECEHVYZCNHNI-YJBOKZPZSA-N 2 0 398.389 3.380 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134317328 564800109 /nfs/dbraw/zinc/80/01/09/564800109.db2.gz XCYULDIKTKNHBX-CXAGYDPISA-N 2 0 384.337 3.191 20 0 GGADRP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)CC1CC[NH+](C)CC1 ZINC000093088626 564883680 /nfs/dbraw/zinc/88/36/80/564883680.db2.gz HVLNXQOZYJTKSW-UHFFFAOYSA-N 2 0 383.330 3.384 20 0 GGADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000150788154 564891335 /nfs/dbraw/zinc/89/13/35/564891335.db2.gz NIPFYLYUFMSRFO-HNNXBMFYSA-N 2 0 380.330 3.195 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Br ZINC000150946881 564898422 /nfs/dbraw/zinc/89/84/22/564898422.db2.gz DMIAUQDHNZJQCK-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000150954833 564898826 /nfs/dbraw/zinc/89/88/26/564898826.db2.gz VATRAFNCEAPTQS-GOSISDBHSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000106124487 564977916 /nfs/dbraw/zinc/97/79/16/564977916.db2.gz USKWCOAYBSQUFN-CYBMUJFWSA-N 2 0 385.339 3.166 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)s3)c2)C1 ZINC000108421037 565011175 /nfs/dbraw/zinc/01/11/75/565011175.db2.gz AISHOTLKZDPDES-MRXNPFEDSA-N 2 0 377.941 3.389 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154418777 565038608 /nfs/dbraw/zinc/03/86/08/565038608.db2.gz NRSKOOSXFWNGSW-SFHVURJKSA-N 2 0 396.373 3.280 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000111386574 565054052 /nfs/dbraw/zinc/05/40/52/565054052.db2.gz FWIUQRTWVJXOHI-GOSISDBHSA-N 2 0 395.341 3.051 20 0 GGADRP NC(=O)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000111374848 565054081 /nfs/dbraw/zinc/05/40/81/565054081.db2.gz LALWXYQULZEOGE-KRWDZBQOSA-N 2 0 382.346 3.221 20 0 GGADRP NC(=O)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000111374851 565054218 /nfs/dbraw/zinc/05/42/18/565054218.db2.gz LALWXYQULZEOGE-QGZVFWFLSA-N 2 0 382.346 3.221 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000155033375 565059884 /nfs/dbraw/zinc/05/98/84/565059884.db2.gz HWUMDUDQINEEKF-XJKSGUPXSA-N 2 0 384.387 3.212 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591698 565069480 /nfs/dbraw/zinc/06/94/80/565069480.db2.gz MULYXGGIHPTOHC-ACJLOTCBSA-N 2 0 384.337 3.191 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628236 565069948 /nfs/dbraw/zinc/06/99/48/565069948.db2.gz NMPNXCOQWYOVNU-YJBOKZPZSA-N 2 0 396.373 3.278 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628331 565070074 /nfs/dbraw/zinc/07/00/74/565070074.db2.gz NMPNXCOQWYOVNU-QAPCUYQASA-N 2 0 396.373 3.278 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708539 565070842 /nfs/dbraw/zinc/07/08/42/565070842.db2.gz ZRDXYYDBVKUFON-YJBOKZPZSA-N 2 0 396.373 3.278 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708661 565070853 /nfs/dbraw/zinc/07/08/53/565070853.db2.gz ZRDXYYDBVKUFON-QAPCUYQASA-N 2 0 396.373 3.278 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000183679623 565087821 /nfs/dbraw/zinc/08/78/21/565087821.db2.gz JAICENNEFREKQI-LJQANCHMSA-N 2 0 392.341 3.359 20 0 GGADRP Cc1cc(Br)cc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc21 ZINC000157626123 565138311 /nfs/dbraw/zinc/13/83/11/565138311.db2.gz SYUPPZOLIUWHHX-UHFFFAOYSA-N 2 0 396.329 3.069 20 0 GGADRP Cn1cc(Br)c(CN2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000292927998 565142421 /nfs/dbraw/zinc/14/24/21/565142421.db2.gz MGYPLHXQYXWONP-UHFFFAOYSA-N 2 0 378.318 3.095 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000293112791 565150884 /nfs/dbraw/zinc/15/08/84/565150884.db2.gz YOXKSMRQRWDUCV-GOSISDBHSA-N 2 0 398.320 3.335 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Br)c1 ZINC000370624183 565152964 /nfs/dbraw/zinc/15/29/64/565152964.db2.gz HQLJUUWPYDOUPP-ZFWWWQNUSA-N 2 0 384.337 3.407 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000185037307 565173151 /nfs/dbraw/zinc/17/31/51/565173151.db2.gz DWARVVINFRTAFS-UHFFFAOYSA-N 2 0 396.354 3.092 20 0 GGADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)CC1 ZINC000371331826 565187019 /nfs/dbraw/zinc/18/70/19/565187019.db2.gz KYJRTDHTEPDABI-INIZCTEOSA-N 2 0 376.595 3.472 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371437064 565193913 /nfs/dbraw/zinc/19/39/13/565193913.db2.gz ARODPEXNZIBZQB-XOKHGSTOSA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000294259588 565205147 /nfs/dbraw/zinc/20/51/47/565205147.db2.gz ZVWZACFCSXRSEQ-KBXCAEBGSA-N 2 0 384.362 3.250 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000185877746 565226233 /nfs/dbraw/zinc/22/62/33/565226233.db2.gz GSIHBJIDMBBWMS-AWEZNQCLSA-N 2 0 384.351 3.385 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000271500617 565256095 /nfs/dbraw/zinc/25/60/95/565256095.db2.gz LUJCCCUUGSKRAG-DOPJRALCSA-N 2 0 397.357 3.486 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000372916844 565260447 /nfs/dbraw/zinc/26/04/47/565260447.db2.gz KXGVDKPVUTXPEU-UHFFFAOYSA-N 2 0 380.374 3.312 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186598466 565270899 /nfs/dbraw/zinc/27/08/99/565270899.db2.gz VNXZSYNNTUMJAC-HUUCEWRRSA-N 2 0 384.362 3.134 20 0 GGADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186619444 565272271 /nfs/dbraw/zinc/27/22/71/565272271.db2.gz CORODGHRCGZICO-UHFFFAOYSA-N 2 0 378.314 3.464 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000162157201 565307625 /nfs/dbraw/zinc/30/76/25/565307625.db2.gz ZGEXFCJLSJTZQM-YOEHRIQHSA-N 2 0 387.387 3.491 20 0 GGADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000373904802 565308568 /nfs/dbraw/zinc/30/85/68/565308568.db2.gz JANLEQLNISSGSL-FVQBIDKESA-N 2 0 381.973 3.132 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3)CC[C@@H]21 ZINC000162804316 565329325 /nfs/dbraw/zinc/32/93/25/565329325.db2.gz KFCYWEPURLXUAS-YOEHRIQHSA-N 2 0 380.330 3.194 20 0 GGADRP Brc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000164729907 565363311 /nfs/dbraw/zinc/36/33/11/565363311.db2.gz CKZREXQWPNZYHU-SFHVURJKSA-N 2 0 378.358 3.492 20 0 GGADRP Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166297783 565374595 /nfs/dbraw/zinc/37/45/95/565374595.db2.gz HZMMWLWQRMXBMY-SZVBFZGTSA-N 2 0 378.358 3.492 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166565581 565375965 /nfs/dbraw/zinc/37/59/65/565375965.db2.gz YRHWXTBSSPJATF-IAGOWNOFSA-N 2 0 394.357 3.014 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000188115091 565380204 /nfs/dbraw/zinc/38/02/04/565380204.db2.gz VWXYPLAZHQNBFA-VQIMIIECSA-N 2 0 382.390 3.242 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)sc1Cl ZINC000168918247 565382324 /nfs/dbraw/zinc/38/23/24/565382324.db2.gz MMNJDZXLCHPXPG-ZDUSSCGKSA-N 2 0 380.385 3.096 20 0 GGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942845 565382164 /nfs/dbraw/zinc/38/21/64/565382164.db2.gz RYRBUDSFDSHPIC-IBGZPJMESA-N 2 0 388.383 3.424 20 0 GGADRP Brc1ccc(CNC2CC[NH+](C3CC3)CC2)c(N2CCOCC2)c1 ZINC000188691690 565417509 /nfs/dbraw/zinc/41/75/09/565417509.db2.gz KPIHGRICKWAHGW-UHFFFAOYSA-N 2 0 394.357 3.002 20 0 GGADRP C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000376339996 565432344 /nfs/dbraw/zinc/43/23/44/565432344.db2.gz JEVXCPNDMATCOY-HNNXBMFYSA-N 2 0 386.367 3.441 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000171824330 565452686 /nfs/dbraw/zinc/45/26/86/565452686.db2.gz VDUBGLALPOBLST-HNNXBMFYSA-N 2 0 389.341 3.447 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000171824335 565453271 /nfs/dbraw/zinc/45/32/71/565453271.db2.gz VDUBGLALPOBLST-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP C[C@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)CN1CC[NH+](C)CC1 ZINC000277452949 565497734 /nfs/dbraw/zinc/49/77/34/565497734.db2.gz HKICJYMRIDHBAG-LSJNQWAISA-N 2 0 380.374 3.168 20 0 GGADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000302440110 565542051 /nfs/dbraw/zinc/54/20/51/565542051.db2.gz AETXZDZQDFBJMW-GFCCVEGCSA-N 2 0 378.314 3.117 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)c1 ZINC000173311302 565546833 /nfs/dbraw/zinc/54/68/33/565546833.db2.gz GOTIMKJVZSOVFO-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)c1 ZINC000173326246 565549127 /nfs/dbraw/zinc/54/91/27/565549127.db2.gz IGWVAYAPOYKXNL-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190747377 565556649 /nfs/dbraw/zinc/55/66/49/565556649.db2.gz IYHLQFSIAPELEQ-UHFFFAOYSA-N 2 0 380.783 3.280 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190764429 565557223 /nfs/dbraw/zinc/55/72/23/565557223.db2.gz VHIISOGLUBFSAW-NSHDSACASA-N 2 0 380.783 3.280 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191284532 565594205 /nfs/dbraw/zinc/59/42/05/565594205.db2.gz MKGRWRDCEGDZBV-UHFFFAOYSA-N 2 0 380.783 3.280 20 0 GGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000173883791 565597039 /nfs/dbraw/zinc/59/70/39/565597039.db2.gz OUWHOJUACNIJPM-CYBMUJFWSA-N 2 0 386.309 3.190 20 0 GGADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000322099172 565607888 /nfs/dbraw/zinc/60/78/88/565607888.db2.gz DCMWQWRCKGRHJI-UHFFFAOYSA-N 2 0 378.314 3.327 20 0 GGADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191494934 565608191 /nfs/dbraw/zinc/60/81/91/565608191.db2.gz VEIWUVZIUYNYND-LJQANCHMSA-N 2 0 399.373 3.475 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279524172 565617548 /nfs/dbraw/zinc/61/75/48/565617548.db2.gz OPMMMNUJLWVVKS-LSJNQWAISA-N 2 0 380.374 3.311 20 0 GGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000325295714 565620102 /nfs/dbraw/zinc/62/01/02/565620102.db2.gz YJRABDRJXVIMNZ-RKVPGOIHSA-N 2 0 394.357 3.090 20 0 GGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000325295716 565620267 /nfs/dbraw/zinc/62/02/67/565620267.db2.gz YJRABDRJXVIMNZ-RVKKMQEKSA-N 2 0 394.357 3.090 20 0 GGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174224217 565621025 /nfs/dbraw/zinc/62/10/25/565621025.db2.gz FYRMOFDCULUHCC-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000192165649 565664623 /nfs/dbraw/zinc/66/46/23/565664623.db2.gz LAWNINGKNJFBPX-QGZVFWFLSA-N 2 0 388.781 3.464 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000174970926 565669956 /nfs/dbraw/zinc/66/99/56/565669956.db2.gz FWOVEBZNTUDLMN-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000192782690 565710118 /nfs/dbraw/zinc/71/01/18/565710118.db2.gz VPXIZPPFTAKNGY-UHFFFAOYSA-N 2 0 388.383 3.204 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000411353474 565726363 /nfs/dbraw/zinc/72/63/63/565726363.db2.gz LNHQFPWVCUYUCR-UHFFFAOYSA-N 2 0 394.357 3.018 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000193242235 565740352 /nfs/dbraw/zinc/74/03/52/565740352.db2.gz ZUMNUVSJTMELNQ-UHFFFAOYSA-N 2 0 386.367 3.316 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000176275217 565762013 /nfs/dbraw/zinc/76/20/13/565762013.db2.gz IOMNVVMVBAVMOJ-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282126996 565765645 /nfs/dbraw/zinc/76/56/45/565765645.db2.gz VFBQSRODFCZVMA-UHFFFAOYSA-N 2 0 390.316 3.235 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000193955401 565786492 /nfs/dbraw/zinc/78/64/92/565786492.db2.gz BDBAYVSRSYIBEA-UHFFFAOYSA-N 2 0 384.351 3.211 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284926928 565878067 /nfs/dbraw/zinc/87/80/67/565878067.db2.gz WACBKLLCWSIYCS-IBGZPJMESA-N 2 0 395.389 3.301 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000285196564 565893137 /nfs/dbraw/zinc/89/31/37/565893137.db2.gz VWAJDEUNVKNVDE-UHFFFAOYSA-N 2 0 379.551 3.327 20 0 GGADRP CS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000414316230 565910886 /nfs/dbraw/zinc/91/08/86/565910886.db2.gz HOOVIAFFOUCSFS-UHFFFAOYSA-N 2 0 384.592 3.215 20 0 GGADRP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000285596989 565915824 /nfs/dbraw/zinc/91/58/24/565915824.db2.gz UWWITSGWMCPINA-YIONKMFJSA-N 2 0 380.330 3.253 20 0 GGADRP C[C@@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000285665280 565920867 /nfs/dbraw/zinc/92/08/67/565920867.db2.gz ZICZHFXPPFIVTD-DTWYCDNDSA-N 2 0 394.357 3.183 20 0 GGADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000414561362 565949456 /nfs/dbraw/zinc/94/94/56/565949456.db2.gz YYJIIBWIMSMDIY-UHFFFAOYSA-N 2 0 377.941 3.389 20 0 GGADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414751552 565958070 /nfs/dbraw/zinc/95/80/70/565958070.db2.gz SNQSXMPNEAZZIS-GJZGRUSLSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414753976 565958709 /nfs/dbraw/zinc/95/87/09/565958709.db2.gz XCDVQPJRYYURGS-LSDHHAIUSA-N 2 0 394.357 3.488 20 0 GGADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000414751554 565958788 /nfs/dbraw/zinc/95/87/88/565958788.db2.gz SNQSXMPNEAZZIS-LSDHHAIUSA-N 2 0 394.357 3.488 20 0 GGADRP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751703 565959140 /nfs/dbraw/zinc/95/91/40/565959140.db2.gz AXSXRKKVXMCGQT-GOEBONIOSA-N 2 0 383.330 3.202 20 0 GGADRP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414884575 565963371 /nfs/dbraw/zinc/96/33/71/565963371.db2.gz NTSCSPTVUFFWMH-VIFPVBQESA-N 2 0 380.124 3.295 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414857088 565963646 /nfs/dbraw/zinc/96/36/46/565963646.db2.gz OUXIVDTVSUVJNB-JKSUJKDBSA-N 2 0 380.374 3.391 20 0 GGADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH2+]C)cc(Br)c1OC(F)F ZINC000414850176 565964028 /nfs/dbraw/zinc/96/40/28/565964028.db2.gz YYWXIRSHGFSTPU-JTQLQIEISA-N 2 0 381.261 3.394 20 0 GGADRP Brc1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000414864819 565964178 /nfs/dbraw/zinc/96/41/78/565964178.db2.gz KEOFMAJORYXAKD-UHFFFAOYSA-N 2 0 380.355 3.172 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414850114 565964212 /nfs/dbraw/zinc/96/42/12/565964212.db2.gz YTPLPPMQHGUUPO-INIZCTEOSA-N 2 0 380.374 3.393 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCC[NH2+]C1 ZINC000414857083 565964261 /nfs/dbraw/zinc/96/42/61/565964261.db2.gz OUXIVDTVSUVJNB-HOTGVXAUSA-N 2 0 380.374 3.391 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414841675 565964309 /nfs/dbraw/zinc/96/43/09/565964309.db2.gz YMIUNEUREFZBLE-JTQLQIEISA-N 2 0 392.135 3.309 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414948821 565966636 /nfs/dbraw/zinc/96/66/36/565966636.db2.gz MOFIUWGDQIVYJU-WMLDXEAASA-N 2 0 394.357 3.092 20 0 GGADRP Brc1cnc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000414960469 565966934 /nfs/dbraw/zinc/96/69/34/565966934.db2.gz GVWVMLACEDTVOU-LLVKDONJSA-N 2 0 377.124 3.228 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415028646 565971021 /nfs/dbraw/zinc/97/10/21/565971021.db2.gz CWBVHFCLEHTBJQ-SKDRFNHKSA-N 2 0 392.135 3.437 20 0 GGADRP COCC1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]CC1 ZINC000414979288 565968372 /nfs/dbraw/zinc/96/83/72/565968372.db2.gz UKZNQRWGBBKSPV-UHFFFAOYSA-N 2 0 393.272 3.156 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncc(Br)cc1Br ZINC000414987194 565968506 /nfs/dbraw/zinc/96/85/06/565968506.db2.gz DIHDOUMDLCUSOV-FOCQTFQBSA-N 2 0 389.135 3.212 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998676 565969861 /nfs/dbraw/zinc/96/98/61/565969861.db2.gz ILKHTBGMALVOBP-DHSIGJKJSA-N 2 0 395.320 3.156 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415001904 565969924 /nfs/dbraw/zinc/96/99/24/565969924.db2.gz CQGHRFVJQUDSQG-AZUAARDMSA-N 2 0 392.385 3.391 20 0 GGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000415018031 565970518 /nfs/dbraw/zinc/97/05/18/565970518.db2.gz BDPMHVRNBPQOFP-XYPYZODXSA-N 2 0 391.151 3.461 20 0 GGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000415018460 565970932 /nfs/dbraw/zinc/97/09/32/565970932.db2.gz CCKSHFHFTKEZAJ-HDJSIYSDSA-N 2 0 383.330 3.465 20 0 GGADRP Brc1cnc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415015090 565971046 /nfs/dbraw/zinc/97/10/46/565971046.db2.gz YESRKUVVAQXTDP-WCQYABFASA-N 2 0 389.135 3.084 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415028643 565971084 /nfs/dbraw/zinc/97/10/84/565971084.db2.gz CWBVHFCLEHTBJQ-BXKDBHETSA-N 2 0 392.135 3.437 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415050292 565971895 /nfs/dbraw/zinc/97/18/95/565971895.db2.gz YKABSSOZYFDVNX-PBHICJAKSA-N 2 0 394.357 3.079 20 0 GGADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086682 565972627 /nfs/dbraw/zinc/97/26/27/565972627.db2.gz SLUGWYBGACTMAT-KUHUBIRLSA-N 2 0 394.357 3.077 20 0 GGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000415117717 565974601 /nfs/dbraw/zinc/97/46/01/565974601.db2.gz ZYOKRKCEAIGVCO-IEBWSBKVSA-N 2 0 395.341 3.102 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031723 565975692 /nfs/dbraw/zinc/97/56/92/565975692.db2.gz DOXRHNXGPDAQMP-CABCVRRESA-N 2 0 396.373 3.277 20 0 GGADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000415134388 565975767 /nfs/dbraw/zinc/97/57/67/565975767.db2.gz DRSDCYYVHIYHOF-CVEARBPZSA-N 2 0 380.374 3.391 20 0 GGADRP CCOc1cc(CN(C)CCC[NH2+]C)cc(Br)c1OC(F)F ZINC000415139377 565975774 /nfs/dbraw/zinc/97/57/74/565975774.db2.gz WQIDXTJULNUCKX-UHFFFAOYSA-N 2 0 381.261 3.491 20 0 GGADRP COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130991 565976011 /nfs/dbraw/zinc/97/60/11/565976011.db2.gz RQJQDVUWNYUKOW-CMPLNLGQSA-N 2 0 393.272 3.476 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000415127250 565976130 /nfs/dbraw/zinc/97/61/30/565976130.db2.gz QPWCWBXTESIVKG-QAPCUYQASA-N 2 0 383.330 3.176 20 0 GGADRP C[NH2+]CCCN(C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000415133069 565976229 /nfs/dbraw/zinc/97/62/29/565976229.db2.gz MGGOPOINYUSANK-UHFFFAOYSA-N 2 0 378.314 3.464 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000363927169 566027138 /nfs/dbraw/zinc/02/71/38/566027138.db2.gz NTCCKLYISNQMIR-HNNXBMFYSA-N 2 0 396.373 3.292 20 0 GGADRP O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441442 566029939 /nfs/dbraw/zinc/02/99/39/566029939.db2.gz DFEUTLOUCABHDQ-KSSFIOAISA-N 2 0 392.341 3.336 20 0 GGADRP CCc1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cs1 ZINC000180117144 566034299 /nfs/dbraw/zinc/03/42/99/566034299.db2.gz KWOLDNHZGAOCGN-UHFFFAOYSA-N 2 0 378.973 3.443 20 0 GGADRP Cc1nc(C)c(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)s1 ZINC000180130134 566035534 /nfs/dbraw/zinc/03/55/34/566035534.db2.gz XPCIPTVWWUCUOA-UHFFFAOYSA-N 2 0 378.973 3.497 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CN1C1CC1 ZINC000246907266 566044990 /nfs/dbraw/zinc/04/49/90/566044990.db2.gz GDCJCINIAKHCKV-INMHGKMJSA-N 2 0 378.358 3.490 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CN1C1CC1 ZINC000246907253 566045769 /nfs/dbraw/zinc/04/57/69/566045769.db2.gz GDCJCINIAKHCKV-BFYDXBDKSA-N 2 0 378.358 3.490 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000246944318 566046632 /nfs/dbraw/zinc/04/66/32/566046632.db2.gz HAKFAFODWFRRNW-DVOMOZLQSA-N 2 0 380.330 3.381 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000247973891 566069723 /nfs/dbraw/zinc/06/97/23/566069723.db2.gz KFCYWEPURLXUAS-WMLDXEAASA-N 2 0 380.330 3.194 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829165 566092754 /nfs/dbraw/zinc/09/27/54/566092754.db2.gz MIDNOJQOAQNVNZ-ZBFHGGJFSA-N 2 0 382.346 3.406 20 0 GGADRP C[C@]([NH3+])(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000261647672 566127262 /nfs/dbraw/zinc/12/72/62/566127262.db2.gz DGPJAQRTPXTNCG-LJQANCHMSA-N 2 0 394.357 3.100 20 0 GGADRP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000261721080 566130431 /nfs/dbraw/zinc/13/04/31/566130431.db2.gz KDRDZEHMIVZIAZ-HBUWYVDXSA-N 2 0 382.346 3.002 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261722091 566130659 /nfs/dbraw/zinc/13/06/59/566130659.db2.gz NPLDENUWGIRTHL-GOSISDBHSA-N 2 0 377.330 3.422 20 0 GGADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261764000 566133518 /nfs/dbraw/zinc/13/35/18/566133518.db2.gz VZXDOGGXQPCSAS-IIDMSEBBSA-N 2 0 394.357 3.090 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261793436 566134887 /nfs/dbraw/zinc/13/48/87/566134887.db2.gz QKBKEGOLXXYFOT-IEBWSBKVSA-N 2 0 390.325 3.042 20 0 GGADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000261829433 566135852 /nfs/dbraw/zinc/13/58/52/566135852.db2.gz IXEIGOWYAVRIMC-UHFFFAOYSA-N 2 0 396.373 3.107 20 0 GGADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261868737 566139348 /nfs/dbraw/zinc/13/93/48/566139348.db2.gz XPOVRDSFXNWSAH-IBGZPJMESA-N 2 0 394.357 3.146 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261935899 566141855 /nfs/dbraw/zinc/14/18/55/566141855.db2.gz MBGHTTQGUGRSEG-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261961154 566142264 /nfs/dbraw/zinc/14/22/64/566142264.db2.gz PHYKBHQVSWPVGU-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP COCCC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246169 566142626 /nfs/dbraw/zinc/14/26/26/566142626.db2.gz VYBDORREBVDFKH-QRVBRYPASA-N 2 0 397.357 3.370 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366262006 566143726 /nfs/dbraw/zinc/14/37/26/566143726.db2.gz XCOGLMAVDNBIRR-XOKHGSTOSA-N 2 0 380.330 3.383 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366262003 566144552 /nfs/dbraw/zinc/14/45/52/566144552.db2.gz XCOGLMAVDNBIRR-COXVUDFISA-N 2 0 380.330 3.383 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181491333 566144724 /nfs/dbraw/zinc/14/47/24/566144724.db2.gz DTEQXBKHPOOOOT-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP CC(C)Sc1cc(Br)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262069689 566145334 /nfs/dbraw/zinc/14/53/34/566145334.db2.gz BXPYQFMTAUOWMB-QGZVFWFLSA-N 2 0 398.414 3.429 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccccc1Cl ZINC000262451498 566153353 /nfs/dbraw/zinc/15/33/53/566153353.db2.gz ZQLIERHAJINDSL-MRXNPFEDSA-N 2 0 380.945 3.111 20 0 GGADRP [NH3+][C@H]1CCCN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417565084 566158827 /nfs/dbraw/zinc/15/88/27/566158827.db2.gz GIPCEZAJPRODBU-AWEZNQCLSA-N 2 0 385.339 3.091 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(Br)c1 ZINC000181704476 566159032 /nfs/dbraw/zinc/15/90/32/566159032.db2.gz LEMXZWGGWPZEBC-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000181858602 566170060 /nfs/dbraw/zinc/17/00/60/566170060.db2.gz SNUDNXWDUJGUFI-SFHVURJKSA-N 2 0 380.374 3.094 20 0 GGADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417833817 566176665 /nfs/dbraw/zinc/17/66/65/566176665.db2.gz MIDVYJIYZDZHDT-MJGOQNOKSA-N 2 0 390.325 3.002 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592318 566180299 /nfs/dbraw/zinc/18/02/99/566180299.db2.gz GOGZAKTXQUNQLF-KBXCAEBGSA-N 2 0 390.325 3.262 20 0 GGADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417913139 566181295 /nfs/dbraw/zinc/18/12/95/566181295.db2.gz PKBUDRJDOWDTGJ-UHFFFAOYSA-N 2 0 376.257 3.252 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418090121 566197209 /nfs/dbraw/zinc/19/72/09/566197209.db2.gz NEBCBSBJDOKPPH-LBPRGKRZSA-N 2 0 376.257 3.252 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc2cccnc21 ZINC000182960727 566232900 /nfs/dbraw/zinc/23/29/00/566232900.db2.gz NLJIRJVVDBXNBA-UHFFFAOYSA-N 2 0 391.357 3.067 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000265880765 566242863 /nfs/dbraw/zinc/24/28/63/566242863.db2.gz OMMUALRVAAHYBD-UHFFFAOYSA-N 2 0 396.354 3.119 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000266113716 566246077 /nfs/dbraw/zinc/24/60/77/566246077.db2.gz GLDVFVJTJQSQDW-UHFFFAOYSA-N 2 0 383.627 3.151 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000266146114 566246518 /nfs/dbraw/zinc/24/65/18/566246518.db2.gz MTVYKNDBJMDCQY-KRWDZBQOSA-N 2 0 383.627 3.151 20 0 GGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000462134861 566252806 /nfs/dbraw/zinc/25/28/06/566252806.db2.gz ACIRAACAPKVPAA-INIZCTEOSA-N 2 0 398.389 3.285 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575124178 566253614 /nfs/dbraw/zinc/25/36/14/566253614.db2.gz RJVBWHWMHNRGMY-GJZGRUSLSA-N 2 0 380.330 3.018 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534794237 566254495 /nfs/dbraw/zinc/25/44/95/566254495.db2.gz YDYJPNBXPWYYBI-YVEFUNNKSA-N 2 0 386.765 3.315 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420297114 566271791 /nfs/dbraw/zinc/27/17/91/566271791.db2.gz FMFYEQZDKQJNBY-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000420372392 566272965 /nfs/dbraw/zinc/27/29/65/566272965.db2.gz FKBTVJUKYGWGJJ-QZTJIDSGSA-N 2 0 383.330 3.046 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340649 566273039 /nfs/dbraw/zinc/27/30/39/566273039.db2.gz NAPKPYQCVKGCLY-SFHVURJKSA-N 2 0 384.351 3.416 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344966 566273393 /nfs/dbraw/zinc/27/33/93/566273393.db2.gz VHWVDFMILUXXME-CXAGYDPISA-N 2 0 380.330 3.240 20 0 GGADRP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc(Br)c1 ZINC000420342643 566273444 /nfs/dbraw/zinc/27/34/44/566273444.db2.gz XLUOYWBADMLKSX-ROUUACIJSA-N 2 0 392.341 3.018 20 0 GGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000420372394 566273497 /nfs/dbraw/zinc/27/34/97/566273497.db2.gz FKBTVJUKYGWGJJ-ROUUACIJSA-N 2 0 383.330 3.046 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340648 566273709 /nfs/dbraw/zinc/27/37/09/566273709.db2.gz NAPKPYQCVKGCLY-GOSISDBHSA-N 2 0 384.351 3.416 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1 ZINC000420340519 566273881 /nfs/dbraw/zinc/27/38/81/566273881.db2.gz SGDORHPVAWOXEH-QGZVFWFLSA-N 2 0 380.330 3.242 20 0 GGADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NCCc1cccc(Cl)c1Cl ZINC000420339543 566273947 /nfs/dbraw/zinc/27/39/47/566273947.db2.gz QRPIQFRYFPEYGW-KRWDZBQOSA-N 2 0 384.351 3.116 20 0 GGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000420372309 566274075 /nfs/dbraw/zinc/27/40/75/566274075.db2.gz FARLKMSOXKSOIN-ZWKOTPCHSA-N 2 0 383.330 3.046 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000420342541 566274185 /nfs/dbraw/zinc/27/41/85/566274185.db2.gz PNLUTKNDQPTWDJ-MRXNPFEDSA-N 2 0 398.320 3.381 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1Br ZINC000420341329 566274524 /nfs/dbraw/zinc/27/45/24/566274524.db2.gz UVSRNSMPCFVUBD-MRXNPFEDSA-N 2 0 380.330 3.242 20 0 GGADRP [NH3+]CC1(O)CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000420405657 566276305 /nfs/dbraw/zinc/27/63/05/566276305.db2.gz PFFRTBVTSMEFNO-UHFFFAOYSA-N 2 0 376.913 3.002 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000625141013 566281165 /nfs/dbraw/zinc/28/11/65/566281165.db2.gz KPSJGGNBDJIDFG-WBVHZDCISA-N 2 0 389.297 3.236 20 0 GGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cccc(Br)c1 ZINC000575813895 566288480 /nfs/dbraw/zinc/28/84/80/566288480.db2.gz VHQDLNIIPVWYHS-KRWDZBQOSA-N 2 0 381.358 3.064 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221491 566290954 /nfs/dbraw/zinc/29/09/54/566290954.db2.gz AYIXLZJVFAAOGN-FHLIZLRMSA-N 2 0 392.341 3.119 20 0 GGADRP C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000575968177 566301669 /nfs/dbraw/zinc/30/16/69/566301669.db2.gz FRMAYRQTRLJAED-ZDUSSCGKSA-N 2 0 379.302 3.030 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H](C)O1 ZINC000462537362 566318571 /nfs/dbraw/zinc/31/85/71/566318571.db2.gz VEPLRNVYYPYIBB-HUUCEWRRSA-N 2 0 397.357 3.363 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000669690390 566320357 /nfs/dbraw/zinc/32/03/57/566320357.db2.gz SALIWEXTVRZFEI-OKILXGFUSA-N 2 0 375.401 3.075 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000556952983 566349383 /nfs/dbraw/zinc/34/93/83/566349383.db2.gz JRARUDIFJPDSCD-BDQJQXKSSA-N 2 0 375.314 3.240 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1Cl ZINC000536072066 566349592 /nfs/dbraw/zinc/34/95/92/566349592.db2.gz HDKKPLZHZFVTBW-CRAIPNDOSA-N 2 0 383.989 3.276 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000556953075 566350011 /nfs/dbraw/zinc/35/00/11/566350011.db2.gz UFISDOADRJCNPR-HFZWIWRYSA-N 2 0 381.314 3.216 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000576498958 566351632 /nfs/dbraw/zinc/35/16/32/566351632.db2.gz VBBHLYSVYKPBKU-COXVUDFISA-N 2 0 380.330 3.383 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000536180541 566356408 /nfs/dbraw/zinc/35/64/08/566356408.db2.gz ZOSAHQROCKLOFA-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP [NH3+][C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000649308839 566360640 /nfs/dbraw/zinc/36/06/40/566360640.db2.gz AWCLVHKRGTUACS-SFHVURJKSA-N 2 0 377.941 3.430 20 0 GGADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cl)c1 ZINC000649308830 566360859 /nfs/dbraw/zinc/36/08/59/566360859.db2.gz AIWWITGAYVXVAP-KSSFIOAISA-N 2 0 377.941 3.430 20 0 GGADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cl)c1 ZINC000649308831 566361899 /nfs/dbraw/zinc/36/18/99/566361899.db2.gz AIWWITGAYVXVAP-RDTXWAMCSA-N 2 0 377.941 3.430 20 0 GGADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000649308838 566361936 /nfs/dbraw/zinc/36/19/36/566361936.db2.gz AWCLVHKRGTUACS-GOSISDBHSA-N 2 0 377.941 3.430 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000536301694 566363302 /nfs/dbraw/zinc/36/33/02/566363302.db2.gz DXQJQYDHSGKAML-SJKOYZFVSA-N 2 0 386.765 3.315 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000576627697 566364603 /nfs/dbraw/zinc/36/46/03/566364603.db2.gz BHQRZSGNVMTILV-MRXNPFEDSA-N 2 0 385.346 3.041 20 0 GGADRP Cc1cc(Br)cn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cnc12 ZINC000446884475 566369240 /nfs/dbraw/zinc/36/92/40/566369240.db2.gz OZIAPDPNHMXMTH-UHFFFAOYSA-N 2 0 377.330 3.369 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000576837383 566383523 /nfs/dbraw/zinc/38/35/23/566383523.db2.gz JJLDZFODKCGVNC-IKGGRYGDSA-N 2 0 394.357 3.421 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626101588 566384395 /nfs/dbraw/zinc/38/43/95/566384395.db2.gz XXMOIWCCJIMPNR-IBGZPJMESA-N 2 0 388.383 3.423 20 0 GGADRP C[NH+](C)CCOC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000536675144 566393019 /nfs/dbraw/zinc/39/30/19/566393019.db2.gz ADWZYDMWSONCRE-UHFFFAOYSA-N 2 0 395.341 3.268 20 0 GGADRP CS(=O)(=O)CC1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000577197524 566414577 /nfs/dbraw/zinc/41/45/77/566414577.db2.gz ZODWWKGEVKFKST-UHFFFAOYSA-N 2 0 384.611 3.153 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Cl)cc1I ZINC000447566704 566415719 /nfs/dbraw/zinc/41/57/19/566415719.db2.gz VTQIEHZMPYPOLR-YGRLFVJLSA-N 2 0 378.685 3.374 20 0 GGADRP CCn1nccc1CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000577247268 566417385 /nfs/dbraw/zinc/41/73/85/566417385.db2.gz FHOYLTSJPSFLMF-UHFFFAOYSA-N 2 0 378.274 3.157 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000537013793 566418221 /nfs/dbraw/zinc/41/82/21/566418221.db2.gz RHIADRTUPPBEMP-GUDVDZBRSA-N 2 0 379.342 3.404 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000537312284 566436973 /nfs/dbraw/zinc/43/69/73/566436973.db2.gz SDQPAUCXLPADFJ-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(OC)ccc2Br)C1 ZINC000537649301 566459976 /nfs/dbraw/zinc/45/99/76/566459976.db2.gz YZDKWGOFDKOQSR-QGZVFWFLSA-N 2 0 385.346 3.390 20 0 GGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422785995 566462485 /nfs/dbraw/zinc/46/24/85/566462485.db2.gz QAMJTNDZYRSOIG-FHLIZLRMSA-N 2 0 379.342 3.227 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736282 566462892 /nfs/dbraw/zinc/46/28/92/566462892.db2.gz VUENEEZIZOESBS-IYJAJMOOSA-N 2 0 386.367 3.300 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422760471 566463584 /nfs/dbraw/zinc/46/35/84/566463584.db2.gz LVXBOMIDWJJYIZ-HUUCEWRRSA-N 2 0 397.357 3.291 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000422930555 566464716 /nfs/dbraw/zinc/46/47/16/566464716.db2.gz UZBLVVZCFIKNAH-GJZGRUSLSA-N 2 0 397.357 3.291 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895427 566464783 /nfs/dbraw/zinc/46/47/83/566464783.db2.gz VYYZYIXCBBKROJ-KXBFYZLASA-N 2 0 380.374 3.391 20 0 GGADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422885621 566464807 /nfs/dbraw/zinc/46/48/07/566464807.db2.gz YZVHJOPHDKYSMB-HNNXBMFYSA-N 2 0 375.340 3.385 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422914022 566464885 /nfs/dbraw/zinc/46/48/85/566464885.db2.gz ZUSHXIRMADLKGE-IAGOWNOFSA-N 2 0 382.346 3.047 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875929 566465095 /nfs/dbraw/zinc/46/50/95/566465095.db2.gz DNVVUSDHQSJFCH-OKZBNKHCSA-N 2 0 381.358 3.473 20 0 GGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422933914 566467725 /nfs/dbraw/zinc/46/77/25/566467725.db2.gz IWGYPCIJIRPIPS-FVQBIDKESA-N 2 0 381.314 3.231 20 0 GGADRP [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989145 566468504 /nfs/dbraw/zinc/46/85/04/566468504.db2.gz KMESZRBPHFHEBF-SJORKVTESA-N 2 0 382.346 3.035 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537766371 566468650 /nfs/dbraw/zinc/46/86/50/566468650.db2.gz BXSVZBZJWHSIKJ-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc(Br)c1 ZINC000577850883 566471085 /nfs/dbraw/zinc/47/10/85/566471085.db2.gz RCMIUISSGHZYLI-HNNXBMFYSA-N 2 0 380.330 3.099 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423060279 566471297 /nfs/dbraw/zinc/47/12/97/566471297.db2.gz NXTQBTFPRZPVEL-RYUDHWBXSA-N 2 0 389.359 3.483 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423057421 566471714 /nfs/dbraw/zinc/47/17/14/566471714.db2.gz ZQJFCPWUPGFFID-YOEHRIQHSA-N 2 0 382.346 3.360 20 0 GGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705338 566471851 /nfs/dbraw/zinc/47/18/51/566471851.db2.gz DZLGBKFEJXRSDD-FDQGKXFDSA-N 2 0 383.330 3.176 20 0 GGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650708052 566472207 /nfs/dbraw/zinc/47/22/07/566472207.db2.gz SQIKEQYGMKDVHV-HUBLWGQQSA-N 2 0 389.359 3.238 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078024 566472780 /nfs/dbraw/zinc/47/27/80/566472780.db2.gz VCXVBHRVQUOGFM-GDAAHCPNSA-N 2 0 381.358 3.110 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000423069512 566472843 /nfs/dbraw/zinc/47/28/43/566472843.db2.gz LSKDHOKMDMIAMT-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)c2ccccc21 ZINC000423079706 566473001 /nfs/dbraw/zinc/47/30/01/566473001.db2.gz YRBTWAHQKGTAFZ-NIKGAXFTSA-N 2 0 375.310 3.335 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423073649 566473409 /nfs/dbraw/zinc/47/34/09/566473409.db2.gz JMXBUJMVFYSMTN-XJKSGUPXSA-N 2 0 392.341 3.113 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078960 566473453 /nfs/dbraw/zinc/47/34/53/566473453.db2.gz WXVVFOLJOHLVOZ-QKYXUNIQSA-N 2 0 391.353 3.148 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078026 566473652 /nfs/dbraw/zinc/47/36/52/566473652.db2.gz VCXVBHRVQUOGFM-WZGPROSRSA-N 2 0 381.358 3.110 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078025 566473826 /nfs/dbraw/zinc/47/38/26/566473826.db2.gz VCXVBHRVQUOGFM-JCHJZTRSSA-N 2 0 381.358 3.110 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423070330 566473838 /nfs/dbraw/zinc/47/38/38/566473838.db2.gz COVVBDLQPLPYSL-XAUMDUMWSA-N 2 0 391.353 3.148 20 0 GGADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c(F)c1 ZINC000650718294 566474390 /nfs/dbraw/zinc/47/43/90/566474390.db2.gz GDRAFKBPFPHHAO-UHFFFAOYSA-N 2 0 395.272 3.498 20 0 GGADRP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1=O ZINC000423113272 566477409 /nfs/dbraw/zinc/47/74/09/566477409.db2.gz TUMUGVPPNANNCA-GDBMZVCRSA-N 2 0 382.346 3.278 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000423152694 566478044 /nfs/dbraw/zinc/47/80/44/566478044.db2.gz GHXMCKOMONKTER-RAUXBKROSA-N 2 0 395.385 3.419 20 0 GGADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423142657 566478147 /nfs/dbraw/zinc/47/81/47/566478147.db2.gz AZBRTDAVAPVEQR-USXIJHARSA-N 2 0 387.749 3.392 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000423152692 566478423 /nfs/dbraw/zinc/47/84/23/566478423.db2.gz GHXMCKOMONKTER-ONCXSQPRSA-N 2 0 395.385 3.419 20 0 GGADRP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145081 566479112 /nfs/dbraw/zinc/47/91/12/566479112.db2.gz IZWZSXSAUBLVJL-GUDVDZBRSA-N 2 0 384.973 3.404 20 0 GGADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145360 566479156 /nfs/dbraw/zinc/47/91/56/566479156.db2.gz KKEZOWJEIVCFPX-BEFAXECRSA-N 2 0 380.941 3.052 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423146729 566479173 /nfs/dbraw/zinc/47/91/73/566479173.db2.gz QEKCNHAXFNNOGP-CYBMUJFWSA-N 2 0 381.929 3.017 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]C/C=C/c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423161495 566480595 /nfs/dbraw/zinc/48/05/95/566480595.db2.gz SARPCOVBFFLLII-MBVDDHJVSA-N 2 0 395.341 3.373 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423161063 566480680 /nfs/dbraw/zinc/48/06/80/566480680.db2.gz NDPRVNOVBSHPBB-MFHCWRBVSA-N 2 0 395.385 3.419 20 0 GGADRP Brc1ccccc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423184607 566480906 /nfs/dbraw/zinc/48/09/06/566480906.db2.gz MHLNFRLGTBUINB-FQEVSTJZSA-N 2 0 388.353 3.423 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000423163838 566481022 /nfs/dbraw/zinc/48/10/22/566481022.db2.gz NPHLTLHCROPXMF-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164837 566481170 /nfs/dbraw/zinc/48/11/70/566481170.db2.gz SYEWOQJUQLZYEZ-STEAMIEHSA-N 2 0 399.348 3.250 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423191002 566481923 /nfs/dbraw/zinc/48/19/23/566481923.db2.gz TZNXLDDMRPZFFJ-CXAGYDPISA-N 2 0 384.387 3.117 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423209529 566481932 /nfs/dbraw/zinc/48/19/32/566481932.db2.gz VAOYCALOYKYRAY-ZDUSSCGKSA-N 2 0 382.339 3.043 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423212343 566482161 /nfs/dbraw/zinc/48/21/61/566482161.db2.gz IFIARVKJKANZCM-GMXVVIOVSA-N 2 0 376.257 3.469 20 0 GGADRP Brc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259319 566484080 /nfs/dbraw/zinc/48/40/80/566484080.db2.gz NXFMCOQDPNAMCP-KBXCAEBGSA-N 2 0 375.314 3.308 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000423334171 566485611 /nfs/dbraw/zinc/48/56/11/566485611.db2.gz QQEWRJRCZIATPE-CYBMUJFWSA-N 2 0 392.345 3.379 20 0 GGADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382429 566486006 /nfs/dbraw/zinc/48/60/06/566486006.db2.gz INFYEXIXUGYNKB-UKRRQHHQSA-N 2 0 379.879 3.303 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000423381574 566486454 /nfs/dbraw/zinc/48/64/54/566486454.db2.gz ICESPCRMGXVRDM-HZMBPMFUSA-N 2 0 398.242 3.075 20 0 GGADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403667 566487685 /nfs/dbraw/zinc/48/76/85/566487685.db2.gz ZHHVEXFYCNTUMB-KGLIPLIRSA-N 2 0 379.879 3.303 20 0 GGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404212 566488403 /nfs/dbraw/zinc/48/84/03/566488403.db2.gz ZMNZRTJWRHMCLN-WCQYABFASA-N 2 0 378.508 3.236 20 0 GGADRP COCC1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423405483 566488545 /nfs/dbraw/zinc/48/85/45/566488545.db2.gz JJDGTRCQNQHFPH-INIZCTEOSA-N 2 0 383.330 3.269 20 0 GGADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403668 566488664 /nfs/dbraw/zinc/48/86/64/566488664.db2.gz ZHHVEXFYCNTUMB-UONOGXRCSA-N 2 0 379.879 3.303 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423457652 566490601 /nfs/dbraw/zinc/49/06/01/566490601.db2.gz PDBLLYCSNWXPMK-ZSSDLHNXSA-N 2 0 388.314 3.430 20 0 GGADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000423492497 566490753 /nfs/dbraw/zinc/49/07/53/566490753.db2.gz NHBSRZMHCPSMQI-OSAQELSMSA-N 2 0 386.277 3.222 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493021 566491230 /nfs/dbraw/zinc/49/12/30/566491230.db2.gz PFDBWRWICCZCEK-LNSITVRQSA-N 2 0 378.318 3.116 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423555552 566492350 /nfs/dbraw/zinc/49/23/50/566492350.db2.gz XTEQNWUCUJFXJV-VDZJLULYSA-N 2 0 392.385 3.391 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423555551 566492930 /nfs/dbraw/zinc/49/29/30/566492930.db2.gz XTEQNWUCUJFXJV-SZVBFZGTSA-N 2 0 392.385 3.391 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423537345 566493067 /nfs/dbraw/zinc/49/30/67/566493067.db2.gz JXGMJNLBMFPHAJ-UHFFFAOYSA-N 2 0 378.358 3.313 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000512089823 566511986 /nfs/dbraw/zinc/51/19/86/566511986.db2.gz TUIXGGDPYOAKGP-UHFFFAOYSA-N 2 0 393.338 3.349 20 0 GGADRP Cc1cc(Br)ccc1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000485629240 566514113 /nfs/dbraw/zinc/51/41/13/566514113.db2.gz IYUBMGXNYLSUFG-UHFFFAOYSA-N 2 0 398.389 3.032 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512142945 566517365 /nfs/dbraw/zinc/51/73/65/566517365.db2.gz BXDZYDIMLGTRIS-LBPRGKRZSA-N 2 0 393.338 3.349 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424286027 566524604 /nfs/dbraw/zinc/52/46/04/566524604.db2.gz FRZVCZHESACREI-QMTHXVAHSA-N 2 0 378.685 3.374 20 0 GGADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1OC ZINC000424285594 566525602 /nfs/dbraw/zinc/52/56/02/566525602.db2.gz FZTMJSDCQMFPQY-ZDUSSCGKSA-N 2 0 383.330 3.430 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297537 566526906 /nfs/dbraw/zinc/52/69/06/566526906.db2.gz SVZCBQOOXMZIOG-CQSZACIVSA-N 2 0 380.330 3.160 20 0 GGADRP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301176 566527278 /nfs/dbraw/zinc/52/72/78/566527278.db2.gz XJKIJVBDXNFNSP-HUUCEWRRSA-N 2 0 394.357 3.090 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424379266 566530118 /nfs/dbraw/zinc/53/01/18/566530118.db2.gz OHOQURVYGXPEJZ-ZDUSSCGKSA-N 2 0 383.330 3.430 20 0 GGADRP Cc1cc(Br)c(C[NH2+]CC2CC[NH+](CCO)CC2)cc1Cl ZINC000449121232 566531428 /nfs/dbraw/zinc/53/14/28/566531428.db2.gz GQNIBAOTUGRPCE-UHFFFAOYSA-N 2 0 375.738 3.205 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559259848 566536268 /nfs/dbraw/zinc/53/62/68/566536268.db2.gz IHPOAGSCNFKHTG-AEFFLSMTSA-N 2 0 394.401 3.170 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449222463 566538451 /nfs/dbraw/zinc/53/84/51/566538451.db2.gz MMEBLEHQFWWFOB-UHFFFAOYSA-N 2 0 398.364 3.450 20 0 GGADRP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000559273679 566539232 /nfs/dbraw/zinc/53/92/32/566539232.db2.gz XXGWIKGMVQRGEN-YJBOKZPZSA-N 2 0 393.369 3.397 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449226752 566539602 /nfs/dbraw/zinc/53/96/02/566539602.db2.gz YGAHTHZKAVQRCG-HNNXBMFYSA-N 2 0 380.330 3.444 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(F)cc(Br)c2)ccn1 ZINC000449225721 566539679 /nfs/dbraw/zinc/53/96/79/566539679.db2.gz UZPKYUAWCGTMHQ-UHFFFAOYSA-N 2 0 382.277 3.213 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311892 566540736 /nfs/dbraw/zinc/54/07/36/566540736.db2.gz PGKACPRCDLLXFJ-GOSISDBHSA-N 2 0 380.330 3.195 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673601881 566547013 /nfs/dbraw/zinc/54/70/13/566547013.db2.gz BKFLLZPUUMBCTO-WMLDXEAASA-N 2 0 398.364 3.277 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000578766964 566552099 /nfs/dbraw/zinc/55/20/99/566552099.db2.gz MOQHUEPJXRUMIV-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCn1cc(Br)cn1 ZINC000512972098 566570694 /nfs/dbraw/zinc/57/06/94/566570694.db2.gz PZZCEWREWZCALD-UHFFFAOYSA-N 2 0 379.346 3.393 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000578999679 566572289 /nfs/dbraw/zinc/57/22/89/566572289.db2.gz QERNMXINJUAAQV-MRXNPFEDSA-N 2 0 376.488 3.026 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449599466 566580831 /nfs/dbraw/zinc/58/08/31/566580831.db2.gz LASMTYSNJYIACB-KSZLIROESA-N 2 0 381.358 3.125 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449678811 566588793 /nfs/dbraw/zinc/58/87/93/566588793.db2.gz BZWVNCFMVCFBJG-HNNXBMFYSA-N 2 0 387.337 3.203 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000449680471 566591179 /nfs/dbraw/zinc/59/11/79/566591179.db2.gz HAYUSDKBWWSBRS-YEWWUXTCSA-N 2 0 387.337 3.059 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449684987 566593253 /nfs/dbraw/zinc/59/32/53/566593253.db2.gz QSAIBONAXIDRFN-CGTJXYLNSA-N 2 0 381.358 3.125 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000652349417 566603428 /nfs/dbraw/zinc/60/34/28/566603428.db2.gz OJUHWLASINSCRC-YXJHDRRASA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000652349416 566603739 /nfs/dbraw/zinc/60/37/39/566603739.db2.gz OJUHWLASINSCRC-QGPMSJSTSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)C1 ZINC000652345754 566603894 /nfs/dbraw/zinc/60/38/94/566603894.db2.gz LCURQVWBZDVJMU-IOASZLSFSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000652346157 566603916 /nfs/dbraw/zinc/60/39/16/566603916.db2.gz UYOJLRQIGSEZRG-MRRJBJDNSA-N 2 0 386.323 3.150 20 0 GGADRP Brc1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466914785 566607660 /nfs/dbraw/zinc/60/76/60/566607660.db2.gz AESRRRHLKJBISO-UHFFFAOYSA-N 2 0 397.357 3.405 20 0 GGADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)sc1Br ZINC000513572547 566610270 /nfs/dbraw/zinc/61/02/70/566610270.db2.gz NHFOYCCIHIHCLG-CYBMUJFWSA-N 2 0 375.376 3.344 20 0 GGADRP COc1cc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2cc1Br ZINC000425210508 566617734 /nfs/dbraw/zinc/61/77/34/566617734.db2.gz RJRACZMMWDZPHM-UHFFFAOYSA-N 2 0 376.298 3.467 20 0 GGADRP Brc1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000560580591 566641385 /nfs/dbraw/zinc/64/13/85/566641385.db2.gz KVUIMZZSTNZZAT-NZSAHSFTSA-N 2 0 389.341 3.146 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000579834386 566643554 /nfs/dbraw/zinc/64/35/54/566643554.db2.gz RURYSOJFMICZFA-OAHLLOKOSA-N 2 0 380.330 3.099 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000579948162 566653804 /nfs/dbraw/zinc/65/38/04/566653804.db2.gz SQPHIJRSWOQUNJ-KRWDZBQOSA-N 2 0 385.346 3.043 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055548 566655719 /nfs/dbraw/zinc/65/57/19/566655719.db2.gz JUDPKPBUOBGFLP-KRWDZBQOSA-N 2 0 397.361 3.329 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629520483 566661379 /nfs/dbraw/zinc/66/13/79/566661379.db2.gz MHQULLSFVQODMO-KRWDZBQOSA-N 2 0 380.330 3.024 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000629532325 566664522 /nfs/dbraw/zinc/66/45/22/566664522.db2.gz VNTGJTCAZRURAL-CRAIPNDOSA-N 2 0 392.341 3.024 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000607226072 566665045 /nfs/dbraw/zinc/66/50/45/566665045.db2.gz WZKGSGITQJSNQO-LBPRGKRZSA-N 2 0 393.334 3.328 20 0 GGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567685 566666067 /nfs/dbraw/zinc/66/60/67/566666067.db2.gz PYXWAAPQTBSQIV-CHWSQXEVSA-N 2 0 375.460 3.196 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2)CC1 ZINC000675872256 566668962 /nfs/dbraw/zinc/66/89/62/566668962.db2.gz IRBJSSBWRYHBCW-LIRRHRJNSA-N 2 0 396.348 3.334 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2)CC1 ZINC000675872227 566669421 /nfs/dbraw/zinc/66/94/21/566669421.db2.gz IRBJSSBWRYHBCW-AUUYWEPGSA-N 2 0 396.348 3.334 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000676239457 566680767 /nfs/dbraw/zinc/68/07/67/566680767.db2.gz CDXKJENFSLXGGE-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP Brc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000561402957 566703082 /nfs/dbraw/zinc/70/30/82/566703082.db2.gz WNMBTLDOCOSLSC-SFHVURJKSA-N 2 0 378.358 3.492 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223564 566704062 /nfs/dbraw/zinc/70/40/62/566704062.db2.gz MLBJERZTENOTLX-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000468706284 566721078 /nfs/dbraw/zinc/72/10/78/566721078.db2.gz JCOOSVMHACRADF-IYBDPMFKSA-N 2 0 396.373 3.212 20 0 GGADRP CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426784170 566729462 /nfs/dbraw/zinc/72/94/62/566729462.db2.gz LVLRRTOMBIYEPV-UHFFFAOYSA-N 2 0 396.373 3.212 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864149 566738966 /nfs/dbraw/zinc/73/89/66/566738966.db2.gz GMFJXONPECZMQM-BZUAXINKSA-N 2 0 383.989 3.380 20 0 GGADRP Brc1cc2c(cc1C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000581192295 566757056 /nfs/dbraw/zinc/75/70/56/566757056.db2.gz NCQSSQAXHOPKFE-CQSZACIVSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000516469851 566763797 /nfs/dbraw/zinc/76/37/97/566763797.db2.gz XJNKBPBHYMDECN-LSDHHAIUSA-N 2 0 391.313 3.321 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000516567242 566769262 /nfs/dbraw/zinc/76/92/62/566769262.db2.gz VDLHVDLCAYRXDM-KHYOSLBOSA-N 2 0 396.373 3.107 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000581364942 566772316 /nfs/dbraw/zinc/77/23/16/566772316.db2.gz URZJNJLFKXJIGU-FUHWJXTLSA-N 2 0 399.373 3.291 20 0 GGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000581445459 566778172 /nfs/dbraw/zinc/77/81/72/566778172.db2.gz BOEXFMNLCYETKJ-MSOLQXFVSA-N 2 0 383.989 3.276 20 0 GGADRP CCC[N@H+](C)[C@@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000581445461 566778293 /nfs/dbraw/zinc/77/82/93/566778293.db2.gz BOEXFMNLCYETKJ-ROUUACIJSA-N 2 0 383.989 3.276 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581607450 566793588 /nfs/dbraw/zinc/79/35/88/566793588.db2.gz DBOOAQUKZGXPGB-ZDUSSCGKSA-N 2 0 376.298 3.415 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000678411004 566799655 /nfs/dbraw/zinc/79/96/55/566799655.db2.gz FTDCWFOUOOIGLB-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000678599825 566807116 /nfs/dbraw/zinc/80/71/16/566807116.db2.gz GVSIKYFIWXSLFX-OAHLLOKOSA-N 2 0 396.373 3.106 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000678598203 566808008 /nfs/dbraw/zinc/80/80/08/566808008.db2.gz DKALEBYMXJJMQQ-GBESFXJTSA-N 2 0 379.342 3.404 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684632 566812121 /nfs/dbraw/zinc/81/21/21/566812121.db2.gz ASEWKZSQLPIPJZ-KUHUBIRLSA-N 2 0 378.358 3.195 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000517247277 566815737 /nfs/dbraw/zinc/81/57/37/566815737.db2.gz IUVKYQAHQOBMGM-ZQIUZPCESA-N 2 0 380.330 3.112 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCCO2 ZINC000469994992 566835055 /nfs/dbraw/zinc/83/50/55/566835055.db2.gz ZASGKGZFNVXDNP-INIZCTEOSA-N 2 0 381.314 3.184 20 0 GGADRP CC[N@@H+]1CC[C@@H](CNCc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655711330 566839057 /nfs/dbraw/zinc/83/90/57/566839057.db2.gz HPKKAPKEOAOHKH-HNNXBMFYSA-N 2 0 377.330 3.375 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000562986960 566842595 /nfs/dbraw/zinc/84/25/95/566842595.db2.gz DYFBMXVKLLTGJY-WMZOPIPTSA-N 2 0 399.373 3.433 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655742889 566842938 /nfs/dbraw/zinc/84/29/38/566842938.db2.gz BUEPYKLNJOPQLR-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]Cc2oc3ccccc3c2Br)CC1(C)C ZINC000655769696 566846822 /nfs/dbraw/zinc/84/68/22/566846822.db2.gz MGGRTKIRXAEFNK-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000563135801 566857443 /nfs/dbraw/zinc/85/74/43/566857443.db2.gz UJZQXEQESCFHSS-HUUCEWRRSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000563135800 566858346 /nfs/dbraw/zinc/85/83/46/566858346.db2.gz UJZQXEQESCFHSS-GJZGRUSLSA-N 2 0 381.314 3.042 20 0 GGADRP Clc1cccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nn2)c1Cl ZINC000563136285 566858652 /nfs/dbraw/zinc/85/86/52/566858652.db2.gz XEBGOCLXIYUVTO-KBPBESRZSA-N 2 0 380.323 3.396 20 0 GGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000563155020 566860598 /nfs/dbraw/zinc/86/05/98/566860598.db2.gz XYCKYNRIRKXCLJ-HBUWYVDXSA-N 2 0 382.335 3.420 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000582602222 566878581 /nfs/dbraw/zinc/87/85/81/566878581.db2.gz QOTVWNHZOXYXNY-YJBOKZPZSA-N 2 0 386.989 3.196 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000582602219 566879638 /nfs/dbraw/zinc/87/96/38/566879638.db2.gz QOTVWNHZOXYXNY-CRAIPNDOSA-N 2 0 386.989 3.196 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000679988581 566885196 /nfs/dbraw/zinc/88/51/96/566885196.db2.gz JZANKWBHMUJFQW-GOSISDBHSA-N 2 0 380.374 3.442 20 0 GGADRP Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000680053045 566887945 /nfs/dbraw/zinc/88/79/45/566887945.db2.gz RDUJQFXPMVFEJX-UHFFFAOYSA-N 2 0 390.329 3.172 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cncc(Br)c1 ZINC000518566017 566892079 /nfs/dbraw/zinc/89/20/79/566892079.db2.gz WLHJOUAYGYVIDD-KUHUBIRLSA-N 2 0 390.325 3.262 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000680479011 566911553 /nfs/dbraw/zinc/91/15/53/566911553.db2.gz RBWGMAUVHYGINY-HZPDHXFCSA-N 2 0 380.330 3.303 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000582991878 566911972 /nfs/dbraw/zinc/91/19/72/566911972.db2.gz JALIDQJLQWHXND-UHFFFAOYSA-N 2 0 375.891 3.399 20 0 GGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cc(Br)ccc1F ZINC000519076672 566918263 /nfs/dbraw/zinc/91/82/63/566918263.db2.gz YXQJOBRIVJJQTR-OAHLLOKOSA-N 2 0 399.348 3.203 20 0 GGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cn1 ZINC000583178964 566926935 /nfs/dbraw/zinc/92/69/35/566926935.db2.gz WHGCUJCJQRBJAS-KSSFIOAISA-N 2 0 390.325 3.262 20 0 GGADRP Cc1cc(N2CC[C@@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940330 566941922 /nfs/dbraw/zinc/94/19/22/566941922.db2.gz RAGUGZRPADPUKB-RDTXWAMCSA-N 2 0 394.357 3.183 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000564070451 566942194 /nfs/dbraw/zinc/94/21/94/566942194.db2.gz COMCMYZGWMWODP-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP Brc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000583499879 566955763 /nfs/dbraw/zinc/95/57/63/566955763.db2.gz DSISWECCWKQWAC-QGZVFWFLSA-N 2 0 389.341 3.456 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000493818068 566956038 /nfs/dbraw/zinc/95/60/38/566956038.db2.gz LOVNUAXXSIGSKR-KBXCAEBGSA-N 2 0 380.374 3.218 20 0 GGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(I)c3)C2)CC1 ZINC000564250381 566957730 /nfs/dbraw/zinc/95/77/30/566957730.db2.gz DOSJHGJIFSOENK-INIZCTEOSA-N 2 0 384.305 3.455 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CC2 ZINC000493959637 566964485 /nfs/dbraw/zinc/96/44/85/566964485.db2.gz FJCMNGCDWAPABT-SFHVURJKSA-N 2 0 380.374 3.360 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000471604674 566964857 /nfs/dbraw/zinc/96/48/57/566964857.db2.gz JXRYYPDHDSNZMB-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000564329427 566965478 /nfs/dbraw/zinc/96/54/78/566965478.db2.gz GRAKBFILXRZJNI-ZIAGYGMSSA-N 2 0 398.320 3.238 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000471608649 566966194 /nfs/dbraw/zinc/96/61/94/566966194.db2.gz DUSYKPGEYDSTOP-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H](C)CCC[NH3+])cc1Br ZINC000583681259 566972793 /nfs/dbraw/zinc/97/27/93/566972793.db2.gz PTPDGBWISMUSNH-SECBINFHSA-N 2 0 380.124 3.437 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Br ZINC000583915452 566994690 /nfs/dbraw/zinc/99/46/90/566994690.db2.gz TZLSMQDWYXJSET-UHFFFAOYSA-N 2 0 391.741 3.060 20 0 GGADRP CSC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CC[NH+](C)CC1 ZINC000520293654 566996213 /nfs/dbraw/zinc/99/62/13/566996213.db2.gz FQFFWDJJEVTZTC-UHFFFAOYSA-N 2 0 387.343 3.095 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cncc(Br)c1 ZINC000520429062 567004313 /nfs/dbraw/zinc/00/43/13/567004313.db2.gz ILTKPKYEYPKMKY-ZDUSSCGKSA-N 2 0 379.302 3.030 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cncc(Br)c1 ZINC000520429061 567005091 /nfs/dbraw/zinc/00/50/91/567005091.db2.gz ILTKPKYEYPKMKY-CYBMUJFWSA-N 2 0 379.302 3.030 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564799069 567009635 /nfs/dbraw/zinc/00/96/35/567009635.db2.gz HXBAECFBIXGMDZ-DZGCQCFKSA-N 2 0 380.330 3.098 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000564797858 567009773 /nfs/dbraw/zinc/00/97/73/567009773.db2.gz DHUCKNIADXKLBY-MRXNPFEDSA-N 2 0 395.341 3.432 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564799072 567009878 /nfs/dbraw/zinc/00/98/78/567009878.db2.gz HXBAECFBIXGMDZ-ZFWWWQNUSA-N 2 0 380.330 3.098 20 0 GGADRP C[NH+](C)Cc1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000564915400 567019386 /nfs/dbraw/zinc/01/93/86/567019386.db2.gz MMQRYLZVCCSVCG-GOSISDBHSA-N 2 0 376.298 3.323 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000494763273 567020308 /nfs/dbraw/zinc/02/03/08/567020308.db2.gz QIGOCLQDALHRNL-YJBOKZPZSA-N 2 0 380.374 3.360 20 0 GGADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000545161394 567024473 /nfs/dbraw/zinc/02/44/73/567024473.db2.gz UHGOQFZFVQEEIC-LIRRHRJNSA-N 2 0 393.325 3.026 20 0 GGADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000430594413 567024907 /nfs/dbraw/zinc/02/49/07/567024907.db2.gz VSAZXWNGUVHZCJ-UHFFFAOYSA-N 2 0 386.309 3.238 20 0 GGADRP COc1cc(Br)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000564973784 567025927 /nfs/dbraw/zinc/02/59/27/567025927.db2.gz SLAKLHRHQHJDGZ-AWEZNQCLSA-N 2 0 383.330 3.288 20 0 GGADRP COc1cc(Br)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000564973787 567026223 /nfs/dbraw/zinc/02/62/23/567026223.db2.gz SLAKLHRHQHJDGZ-CQSZACIVSA-N 2 0 383.330 3.288 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564988728 567027448 /nfs/dbraw/zinc/02/74/48/567027448.db2.gz OSFCSYXZFCNQJL-KFWWJZLASA-N 2 0 380.330 3.098 20 0 GGADRP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000564989602 567027708 /nfs/dbraw/zinc/02/77/08/567027708.db2.gz TXSUNQSHROUQDY-LSDHHAIUSA-N 2 0 380.330 3.018 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000472483215 567028139 /nfs/dbraw/zinc/02/81/39/567028139.db2.gz HKIHGFLEUDCCDG-MRXNPFEDSA-N 2 0 394.357 3.441 20 0 GGADRP CSC1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC[NH+](C)CC1 ZINC000521016624 567036462 /nfs/dbraw/zinc/03/64/62/567036462.db2.gz PKDURAZWFRJELR-UHFFFAOYSA-N 2 0 397.386 3.322 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000521030871 567036856 /nfs/dbraw/zinc/03/68/56/567036856.db2.gz FYLFVBWGARKPIG-MRXNPFEDSA-N 2 0 375.340 3.445 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000565115660 567040362 /nfs/dbraw/zinc/04/03/62/567040362.db2.gz LHBNROQVSRLFAB-AWEZNQCLSA-N 2 0 389.371 3.136 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453069250 567051215 /nfs/dbraw/zinc/05/12/15/567051215.db2.gz ZHYWSSLWLJABIL-UZLBHIALSA-N 2 0 394.401 3.386 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453069247 567051249 /nfs/dbraw/zinc/05/12/49/567051249.db2.gz ZHYWSSLWLJABIL-JXFKEZNVSA-N 2 0 394.401 3.386 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000453090314 567052825 /nfs/dbraw/zinc/05/28/25/567052825.db2.gz CCOHJOCPQWYLSJ-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453105243 567054007 /nfs/dbraw/zinc/05/40/07/567054007.db2.gz WIUBPCQLFMTPKD-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453105242 567054541 /nfs/dbraw/zinc/05/45/41/567054541.db2.gz WIUBPCQLFMTPKD-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000565334210 567059289 /nfs/dbraw/zinc/05/92/89/567059289.db2.gz IZSCZZADQPORBO-IBGZPJMESA-N 2 0 398.389 3.382 20 0 GGADRP Brc1ccc2c(c1)[C@@H](NCc1nnc(C3CC[NH2+]CC3)[nH]1)CCC2 ZINC000565475809 567070579 /nfs/dbraw/zinc/07/05/79/567070579.db2.gz FPTORXYBDZYDBN-INIZCTEOSA-N 2 0 390.329 3.201 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000584861407 567075114 /nfs/dbraw/zinc/07/51/14/567075114.db2.gz DYYTUQGRGVVMRA-OAHLLOKOSA-N 2 0 386.353 3.136 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453336312 567076058 /nfs/dbraw/zinc/07/60/58/567076058.db2.gz ALTICLYBEBGOCY-GGKPKWOWSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453336313 567076793 /nfs/dbraw/zinc/07/67/93/567076793.db2.gz ALTICLYBEBGOCY-HOPMXRPOSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453370234 567081246 /nfs/dbraw/zinc/08/12/46/567081246.db2.gz NEIWSEXNFMERCB-ZXTQRBJTSA-N 2 0 387.337 3.058 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453380883 567083231 /nfs/dbraw/zinc/08/32/31/567083231.db2.gz RMYBQBLCJIBDSJ-JHDROBOHSA-N 2 0 383.374 3.227 20 0 GGADRP Cc1cc(Br)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000453586314 567094285 /nfs/dbraw/zinc/09/42/85/567094285.db2.gz YGEZTSUDYGXLAT-CJNGLKHVSA-N 2 0 386.403 3.277 20 0 GGADRP Brc1ccc2ncc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)n2c1 ZINC000657813251 567097702 /nfs/dbraw/zinc/09/77/02/567097702.db2.gz LVXNYDSOXVDEKY-UHFFFAOYSA-N 2 0 377.330 3.308 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000683145336 567098247 /nfs/dbraw/zinc/09/82/47/567098247.db2.gz KHEQZBTZHXNUHM-CQSZACIVSA-N 2 0 386.765 3.361 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837025 567099942 /nfs/dbraw/zinc/09/99/42/567099942.db2.gz XGGLKXGJDPYMPN-IBGZPJMESA-N 2 0 382.390 3.387 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657836864 567100509 /nfs/dbraw/zinc/10/05/09/567100509.db2.gz PJLQYUVWDKSYEM-VQIMIIECSA-N 2 0 382.390 3.386 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833257 567100520 /nfs/dbraw/zinc/10/05/20/567100520.db2.gz QMBHPCHRTQTYAO-SFHVURJKSA-N 2 0 382.390 3.386 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657897753 567104119 /nfs/dbraw/zinc/10/41/19/567104119.db2.gz JBEJROSNURLONB-SFHVURJKSA-N 2 0 382.390 3.386 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565834277 567104032 /nfs/dbraw/zinc/10/40/32/567104032.db2.gz DTYKUCAZSXKNHS-HOTGVXAUSA-N 2 0 384.351 3.273 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976827 567110460 /nfs/dbraw/zinc/11/04/60/567110460.db2.gz SVDULWOIWSTPJX-VQIMIIECSA-N 2 0 382.390 3.386 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000566130127 567127579 /nfs/dbraw/zinc/12/75/79/567127579.db2.gz LZNUPXZUQMQZSS-CQSZACIVSA-N 2 0 393.380 3.150 20 0 GGADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000566230626 567140158 /nfs/dbraw/zinc/14/01/58/567140158.db2.gz SVPTUPZEBBKDMF-QGZVFWFLSA-N 2 0 384.362 3.091 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000566245157 567142354 /nfs/dbraw/zinc/14/23/54/567142354.db2.gz JIKUAIOQOUZOME-GJZGRUSLSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000566242150 567142656 /nfs/dbraw/zinc/14/26/56/567142656.db2.gz KDQPALHWAIYSLH-HIFRSBDPSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245416 567142748 /nfs/dbraw/zinc/14/27/48/567142748.db2.gz QSOWUFCSBDIARL-NUEKZKHPSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH+](C)CC1 ZINC000683694621 567144873 /nfs/dbraw/zinc/14/48/73/567144873.db2.gz ZJMHPMNKZDBPNX-AWEZNQCLSA-N 2 0 377.330 3.455 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000566411588 567157589 /nfs/dbraw/zinc/15/75/89/567157589.db2.gz NOFVWXKECNPDIX-GVDBMIGSSA-N 2 0 377.941 3.124 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546932656 567171755 /nfs/dbraw/zinc/17/17/55/567171755.db2.gz XMPGCCCAXSSLQE-YOEHRIQHSA-N 2 0 379.346 3.268 20 0 GGADRP C[NH+]1CCC(CC[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474709593 567193869 /nfs/dbraw/zinc/19/38/69/567193869.db2.gz ODEHUBVNDRJGBT-UHFFFAOYSA-N 2 0 394.247 3.391 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474716863 567194572 /nfs/dbraw/zinc/19/45/72/567194572.db2.gz VRYNVWAZCYBJBH-UHFFFAOYSA-N 2 0 380.220 3.001 20 0 GGADRP CN[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300273 567202453 /nfs/dbraw/zinc/20/24/53/567202453.db2.gz OPZAVJFGKCXPBB-WMLDXEAASA-N 2 0 382.291 3.079 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474889783 567208679 /nfs/dbraw/zinc/20/86/79/567208679.db2.gz IILLAIMHBARENH-UHFFFAOYSA-N 2 0 394.279 3.195 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000684552893 567216324 /nfs/dbraw/zinc/21/63/24/567216324.db2.gz JNHVRFSLZVXRSU-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP C[NH2+]C[C@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000659647908 567223569 /nfs/dbraw/zinc/22/35/69/567223569.db2.gz YRQBMQLXAZXEOF-ZDUSSCGKSA-N 2 0 375.344 3.065 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000433127455 567225032 /nfs/dbraw/zinc/22/50/32/567225032.db2.gz HTVHBTUKSXUYJI-SFHVURJKSA-N 2 0 394.357 3.316 20 0 GGADRP CC[C@H](Cc1ccccc1Br)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433126249 567225929 /nfs/dbraw/zinc/22/59/29/567225929.db2.gz BVQBSNNPLQYWLP-QGZVFWFLSA-N 2 0 396.373 3.090 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000433165351 567227050 /nfs/dbraw/zinc/22/70/50/567227050.db2.gz BTXZYDCGEUDDJF-MRXNPFEDSA-N 2 0 377.838 3.263 20 0 GGADRP Cc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000684761869 567235667 /nfs/dbraw/zinc/23/56/67/567235667.db2.gz XESXWEGYTGOTLT-UHFFFAOYSA-N 2 0 390.329 3.172 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372302 567245327 /nfs/dbraw/zinc/24/53/27/567245327.db2.gz CGEVMJPTVINZPX-KRWDZBQOSA-N 2 0 397.361 3.329 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524596 567256105 /nfs/dbraw/zinc/25/61/05/567256105.db2.gz WLMIWUKSVAWQBS-QGZVFWFLSA-N 2 0 386.367 3.410 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524595 567256337 /nfs/dbraw/zinc/25/63/37/567256337.db2.gz WLMIWUKSVAWQBS-KRWDZBQOSA-N 2 0 386.367 3.410 20 0 GGADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475580285 567259178 /nfs/dbraw/zinc/25/91/78/567259178.db2.gz XUNDNMYMIGOCOL-UHFFFAOYSA-N 2 0 396.373 3.059 20 0 GGADRP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567604327 567260716 /nfs/dbraw/zinc/26/07/16/567260716.db2.gz RDAPRAJUXSXINI-KRWDZBQOSA-N 2 0 381.314 3.325 20 0 GGADRP Cc1ccc(C[C@@H](CO)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC000567681093 567267479 /nfs/dbraw/zinc/26/74/79/567267479.db2.gz NRTRLJXSEUYTJJ-GOSISDBHSA-N 2 0 395.385 3.373 20 0 GGADRP CCOc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000525890591 567272895 /nfs/dbraw/zinc/27/28/95/567272895.db2.gz MRIGOPUOBKBWGI-UHFFFAOYSA-N 2 0 391.343 3.349 20 0 GGADRP COc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000685457890 567276127 /nfs/dbraw/zinc/27/61/27/567276127.db2.gz RORNBAKDACJFOQ-KRWDZBQOSA-N 2 0 396.373 3.058 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000591576805 567285807 /nfs/dbraw/zinc/28/58/07/567285807.db2.gz BRYXOQYRJVGHPH-OAHLLOKOSA-N 2 0 386.277 3.094 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000591578346 567286249 /nfs/dbraw/zinc/28/62/49/567286249.db2.gz SOXCSAKNBMSMNX-ZFWWWQNUSA-N 2 0 386.277 3.237 20 0 GGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591581800 567286598 /nfs/dbraw/zinc/28/65/98/567286598.db2.gz VHCGRHWFMSQUIL-XJKSGUPXSA-N 2 0 384.305 3.344 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567894639 567288163 /nfs/dbraw/zinc/28/81/63/567288163.db2.gz KZBCDVHWIBPOPW-CVEARBPZSA-N 2 0 384.351 3.273 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567894641 567288526 /nfs/dbraw/zinc/28/85/26/567288526.db2.gz KZBCDVHWIBPOPW-HZPDHXFCSA-N 2 0 384.351 3.273 20 0 GGADRP O=c1ccc(CN(CCn2ccnc2)Cc2ccc(Br)o2)c[nH]1 ZINC000639175509 567292464 /nfs/dbraw/zinc/29/24/64/567292464.db2.gz PGGMJWIFTNNJQL-UHFFFAOYSA-N 2 0 377.242 3.042 20 0 GGADRP C[C@@]([NH3+])(C(=O)NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000567968202 567294204 /nfs/dbraw/zinc/29/42/04/567294204.db2.gz NGWFKNCPUJIEJF-SFHVURJKSA-N 2 0 382.346 3.005 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000591766732 567295207 /nfs/dbraw/zinc/29/52/07/567295207.db2.gz DHOFHEOIMNLOSJ-ZDUSSCGKSA-N 2 0 393.380 3.150 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455873600 567316293 /nfs/dbraw/zinc/31/62/93/567316293.db2.gz XZVIFOUHUJXFTH-CYBMUJFWSA-N 2 0 398.349 3.010 20 0 GGADRP COc1c(Br)cccc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548475976 567318501 /nfs/dbraw/zinc/31/85/01/567318501.db2.gz LWQBIZIEANKNEM-UHFFFAOYSA-N 2 0 391.313 3.217 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568406544 567327097 /nfs/dbraw/zinc/32/70/97/567327097.db2.gz OLJPDDUTXNZHOB-VMUDFCTBSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568406545 567327241 /nfs/dbraw/zinc/32/72/41/567327241.db2.gz OLJPDDUTXNZHOB-VWPFQQQWSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568406543 567327801 /nfs/dbraw/zinc/32/78/01/567327801.db2.gz OLJPDDUTXNZHOB-UMPJEAMMSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000548655416 567340849 /nfs/dbraw/zinc/34/08/49/567340849.db2.gz BMHVKIWIVSIUJW-ZDUSSCGKSA-N 2 0 375.344 3.189 20 0 GGADRP O=C(CN1CC[C@@H](n2cnc3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664978 567341215 /nfs/dbraw/zinc/34/12/15/567341215.db2.gz ISQVPIHTAUEICT-CYBMUJFWSA-N 2 0 378.929 3.040 20 0 GGADRP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000527638563 567355029 /nfs/dbraw/zinc/35/50/29/567355029.db2.gz XLKIRCZHNCSZGS-LLVKDONJSA-N 2 0 381.343 3.475 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435377113 567358437 /nfs/dbraw/zinc/35/84/37/567358437.db2.gz YCUGYEPKDHMACX-IUODEOHRSA-N 2 0 377.330 3.421 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000435395941 567359717 /nfs/dbraw/zinc/35/97/17/567359717.db2.gz SQUPEQZYOUBXAM-UHFFFAOYSA-N 2 0 377.330 3.422 20 0 GGADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527850108 567379867 /nfs/dbraw/zinc/37/98/67/567379867.db2.gz NPIQBAANVHOBCO-GFCCVEGCSA-N 2 0 390.316 3.404 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527860833 567380563 /nfs/dbraw/zinc/38/05/63/567380563.db2.gz YMOHENNWQJHFLY-QWHCGFSZSA-N 2 0 390.316 3.261 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501400838 567385006 /nfs/dbraw/zinc/38/50/06/567385006.db2.gz QRANVOYFUYEOHO-ZDUSSCGKSA-N 2 0 390.316 3.091 20 0 GGADRP Brc1csc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000569245481 567389154 /nfs/dbraw/zinc/38/91/54/567389154.db2.gz KLVGTOFYTLMEKW-RYUDHWBXSA-N 2 0 397.342 3.382 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1c(F)ccc(Br)c1F)N1CC[NH+](C)CC1 ZINC000501449010 567389899 /nfs/dbraw/zinc/38/98/99/567389899.db2.gz JBUPCJPGBIQJMP-MRXNPFEDSA-N 2 0 390.316 3.089 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000501873323 567410877 /nfs/dbraw/zinc/41/08/77/567410877.db2.gz KUFLRSCZOOEQJA-UHFFFAOYSA-N 2 0 386.353 3.436 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000662263754 567421928 /nfs/dbraw/zinc/42/19/28/567421928.db2.gz DSNZEOXRMNVBMH-YJBOKZPZSA-N 2 0 381.973 3.012 20 0 GGADRP Clc1ccc(COC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662257843 567421995 /nfs/dbraw/zinc/42/19/95/567421995.db2.gz RYYSVEHGZJHFSS-INIZCTEOSA-N 2 0 385.335 3.495 20 0 GGADRP Cc1cc(Br)c(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000662282651 567424678 /nfs/dbraw/zinc/42/46/78/567424678.db2.gz PQBMWONRAKBCIE-CQSZACIVSA-N 2 0 398.736 3.298 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000662292991 567425726 /nfs/dbraw/zinc/42/57/26/567425726.db2.gz QAGUAMQBWKOFDN-MRXNPFEDSA-N 2 0 394.357 3.489 20 0 GGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457700118 567484278 /nfs/dbraw/zinc/48/42/78/567484278.db2.gz HCPFFLLXYVHWDW-QGZVFWFLSA-N 2 0 380.583 3.186 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000479058714 567499729 /nfs/dbraw/zinc/49/97/29/567499729.db2.gz JUONCWJMRAAZEE-KSSFIOAISA-N 2 0 380.374 3.397 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479067885 567500512 /nfs/dbraw/zinc/50/05/12/567500512.db2.gz WTSGWCFMDMYNKE-KBXCAEBGSA-N 2 0 380.374 3.397 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479067886 567501278 /nfs/dbraw/zinc/50/12/78/567501278.db2.gz WTSGWCFMDMYNKE-KDOFPFPSSA-N 2 0 380.374 3.397 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479072104 567501310 /nfs/dbraw/zinc/50/13/10/567501310.db2.gz AUBFMLMSVYRZKP-SFHVURJKSA-N 2 0 385.321 3.333 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000479073509 567501338 /nfs/dbraw/zinc/50/13/38/567501338.db2.gz XOQHFIDZPFZWDQ-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000663374201 567502546 /nfs/dbraw/zinc/50/25/46/567502546.db2.gz HWPHSWUEOGIUSL-UHFFFAOYSA-N 2 0 394.357 3.489 20 0 GGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663374844 567502555 /nfs/dbraw/zinc/50/25/55/567502555.db2.gz PFWTUOFZEOZBDR-KRWDZBQOSA-N 2 0 387.351 3.445 20 0 GGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663374130 567502700 /nfs/dbraw/zinc/50/27/00/567502700.db2.gz FJPROYZAPWIKPJ-MRXNPFEDSA-N 2 0 387.351 3.445 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000643534594 567512031 /nfs/dbraw/zinc/51/20/31/567512031.db2.gz YLKICVUHJZUJQU-MLGOLLRUSA-N 2 0 390.329 3.131 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570787883 567513969 /nfs/dbraw/zinc/51/39/69/567513969.db2.gz ACDSFGLGPHOQGP-KRWDZBQOSA-N 2 0 395.385 3.373 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479339106 567526595 /nfs/dbraw/zinc/52/65/95/567526595.db2.gz ATZCDNXRCNDKLJ-SFHVURJKSA-N 2 0 380.374 3.399 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479341097 567526743 /nfs/dbraw/zinc/52/67/43/567526743.db2.gz FBZYHHTZSPBLQE-SFHVURJKSA-N 2 0 384.337 3.266 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479357247 567527974 /nfs/dbraw/zinc/52/79/74/567527974.db2.gz XVUXTOSIXGCTHG-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479356766 567528173 /nfs/dbraw/zinc/52/81/73/567528173.db2.gz XVUXTOSIXGCTHG-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008519 567534512 /nfs/dbraw/zinc/53/45/12/567534512.db2.gz UTWRFRZZEJBLGD-PXAZEXFGSA-N 2 0 382.289 3.352 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000595010175 567534665 /nfs/dbraw/zinc/53/46/65/567534665.db2.gz IDUXPOJTJSYDJC-HLLBOEOZSA-N 2 0 382.289 3.495 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532069 567556843 /nfs/dbraw/zinc/55/68/43/567556843.db2.gz YTJVTNUMHHBKMZ-GJZGRUSLSA-N 2 0 375.340 3.443 20 0 GGADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644576641 567560879 /nfs/dbraw/zinc/56/08/79/567560879.db2.gz NRQZQOMQTHVBSA-OAHLLOKOSA-N 2 0 375.340 3.445 20 0 GGADRP C[C@@H]1CN(Cc2cccc(CNc3ccncc3Br)c2)CCO1 ZINC000571458750 567563611 /nfs/dbraw/zinc/56/36/11/567563611.db2.gz BMXQFSRCBIPOHF-CQSZACIVSA-N 2 0 376.298 3.099 20 0 GGADRP COC(=O)c1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000595505025 567567723 /nfs/dbraw/zinc/56/77/23/567567723.db2.gz PLHXJUDQSVULBQ-SFHVURJKSA-N 2 0 381.314 3.153 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000439182258 567570866 /nfs/dbraw/zinc/57/08/66/567570866.db2.gz HXYDHIHJLIRIIP-KRWDZBQOSA-N 2 0 380.583 3.186 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)CN1CC[NH+](C)CC1 ZINC000571581196 567573865 /nfs/dbraw/zinc/57/38/65/567573865.db2.gz AKOBMSGYUKWCAY-AWEZNQCLSA-N 2 0 380.330 3.168 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000571778387 567587885 /nfs/dbraw/zinc/58/78/85/567587885.db2.gz KFXSXVMALQRVHH-UHFFFAOYSA-N 2 0 380.330 3.311 20 0 GGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000571960655 567603126 /nfs/dbraw/zinc/60/31/26/567603126.db2.gz PXOALVGAABHWNC-AWEZNQCLSA-N 2 0 381.314 3.342 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)CC1 ZINC000645409061 567621988 /nfs/dbraw/zinc/62/19/88/567621988.db2.gz SOBYJARKNRYWMU-DOMZBBRYSA-N 2 0 384.387 3.256 20 0 GGADRP Brc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc2c1OCO2 ZINC000459470353 567628121 /nfs/dbraw/zinc/62/81/21/567628121.db2.gz UDYXBMXKLMJTKW-UHFFFAOYSA-N 2 0 390.281 3.331 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645515960 567636870 /nfs/dbraw/zinc/63/68/70/567636870.db2.gz GCRHQBUYYJJYDH-DNVCBOLYSA-N 2 0 396.373 3.251 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459693285 567651803 /nfs/dbraw/zinc/65/18/03/567651803.db2.gz HVASUNKVDTVEFP-JOQOYGCGSA-N 2 0 387.337 3.059 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000459693290 567651978 /nfs/dbraw/zinc/65/19/78/567651978.db2.gz HVASUNKVDTVEFP-XUWXXGDYSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728092 567654304 /nfs/dbraw/zinc/65/43/04/567654304.db2.gz CRIAUANOSYYGJG-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737455 567656370 /nfs/dbraw/zinc/65/63/70/567656370.db2.gz RHQZLMBDRSATKD-HNNXBMFYSA-N 2 0 377.330 3.456 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000459773831 567657702 /nfs/dbraw/zinc/65/77/02/567657702.db2.gz IWWGWSNRIWOZOX-NSHDSACASA-N 2 0 391.151 3.428 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000459773826 567658253 /nfs/dbraw/zinc/65/82/53/567658253.db2.gz IWWGWSNRIWOZOX-LLVKDONJSA-N 2 0 391.151 3.428 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780901 567660026 /nfs/dbraw/zinc/66/00/26/567660026.db2.gz LTTZLIZEMQJENN-MRXNPFEDSA-N 2 0 396.373 3.107 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1(C)C ZINC000441373880 567662286 /nfs/dbraw/zinc/66/22/86/567662286.db2.gz CQRBRKQSPFVGOL-UHFFFAOYSA-N 2 0 384.351 3.385 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1cc(Cl)sc1Cl ZINC000531523305 567662860 /nfs/dbraw/zinc/66/28/60/567662860.db2.gz WEBXIFNDDXJFJB-UHFFFAOYSA-N 2 0 380.385 3.329 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Br ZINC000572763844 567662727 /nfs/dbraw/zinc/66/27/27/567662727.db2.gz FAVRFHXJONXXTL-CABCVRRESA-N 2 0 380.330 3.099 20 0 GGADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000572763813 567662928 /nfs/dbraw/zinc/66/29/28/567662928.db2.gz BBFDAENDDAXBDG-CYBMUJFWSA-N 2 0 375.314 3.465 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Br ZINC000572763846 567663509 /nfs/dbraw/zinc/66/35/09/567663509.db2.gz FAVRFHXJONXXTL-HUUCEWRRSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000572768398 567664474 /nfs/dbraw/zinc/66/44/74/567664474.db2.gz JCTKLPMDHNJXEO-BEFAXECRSA-N 2 0 398.389 3.380 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Br)cc2c1OCC2 ZINC000573167431 567692590 /nfs/dbraw/zinc/69/25/90/567692590.db2.gz HKYRSICIBWDSBY-UHFFFAOYSA-N 2 0 398.389 3.089 20 0 GGADRP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000573317945 567704645 /nfs/dbraw/zinc/70/46/45/567704645.db2.gz LXRLFACNBOMASK-IBGZPJMESA-N 2 0 380.374 3.358 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ncc1Br ZINC000623361682 567705039 /nfs/dbraw/zinc/70/50/39/567705039.db2.gz JWCSKKUMRQMQCF-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000666855204 567707694 /nfs/dbraw/zinc/70/76/94/567707694.db2.gz FQYVBDWUVGGOMV-LLVKDONJSA-N 2 0 379.245 3.291 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000666857659 567707907 /nfs/dbraw/zinc/70/79/07/567707907.db2.gz DAUYYYWDIKOZNA-INIZCTEOSA-N 2 0 394.357 3.094 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1(C)C ZINC000442871811 567713720 /nfs/dbraw/zinc/71/37/20/567713720.db2.gz GYIZHKCYPPIVOH-INIZCTEOSA-N 2 0 384.337 3.191 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1(C)C ZINC000442877053 567714107 /nfs/dbraw/zinc/71/41/07/567714107.db2.gz QQZTVMBGHJOVMM-QGZVFWFLSA-N 2 0 396.373 3.278 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442919009 567716890 /nfs/dbraw/zinc/71/68/90/567716890.db2.gz DNLXHQVYZQZPBG-HNNXBMFYSA-N 2 0 385.346 3.425 20 0 GGADRP CSc1cc(Br)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000573883627 567742497 /nfs/dbraw/zinc/74/24/97/567742497.db2.gz CGFPXBDXGRFFTH-UHFFFAOYSA-N 2 0 386.403 3.240 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000623861738 567743211 /nfs/dbraw/zinc/74/32/11/567743211.db2.gz BOHGXENNQPKKOD-ZDUSSCGKSA-N 2 0 390.316 3.406 20 0 GGADRP O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000573906593 567744049 /nfs/dbraw/zinc/74/40/49/567744049.db2.gz FUYZYNRZULFGTC-DLBZAZTESA-N 2 0 380.330 3.384 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121225 567760653 /nfs/dbraw/zinc/76/06/53/567760653.db2.gz QFPJQJPQYNMWFY-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000574632155 567789517 /nfs/dbraw/zinc/78/95/17/567789517.db2.gz XVNRTWYMYXJZCQ-WBVHZDCISA-N 2 0 385.346 3.043 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647542957 567790407 /nfs/dbraw/zinc/79/04/07/567790407.db2.gz FGGMNZIRFXSIBV-KBPBESRZSA-N 2 0 383.330 3.375 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1O ZINC000647542932 567791006 /nfs/dbraw/zinc/79/10/06/567791006.db2.gz DVAKNXYJTWAICI-ZIAGYGMSSA-N 2 0 383.330 3.375 20 0 GGADRP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647552201 567791070 /nfs/dbraw/zinc/79/10/70/567791070.db2.gz MDKFLGIVDWOORU-SQGPQFPESA-N 2 0 392.385 3.391 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1O ZINC000647542931 567791226 /nfs/dbraw/zinc/79/12/26/567791226.db2.gz DVAKNXYJTWAICI-UONOGXRCSA-N 2 0 383.330 3.375 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000647545707 567791250 /nfs/dbraw/zinc/79/12/50/567791250.db2.gz HYJVUNGENHWELE-UONOGXRCSA-N 2 0 383.330 3.288 20 0 GGADRP Cc1nccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000574685119 567791314 /nfs/dbraw/zinc/79/13/14/567791314.db2.gz ZJIGKMAJLJAKQI-ZDUSSCGKSA-N 2 0 379.302 3.209 20 0 GGADRP CSC1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[NH+](C)CC1 ZINC000555587061 567791325 /nfs/dbraw/zinc/79/13/25/567791325.db2.gz WCEQBQBSYBDGPH-UHFFFAOYSA-N 2 0 383.989 3.094 20 0 GGADRP Brc1ccccc1-n1cc(C[NH2+]CCCCC[NH+]2CCCC2)nn1 ZINC000555611412 567791611 /nfs/dbraw/zinc/79/16/11/567791611.db2.gz FNDVGDGVDPXWGC-UHFFFAOYSA-N 2 0 392.345 3.386 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000574724339 567793062 /nfs/dbraw/zinc/79/30/62/567793062.db2.gz JFOPHXPBZKLPLI-HXUWFJFHSA-N 2 0 394.401 3.387 20 0 GGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647789385 567800737 /nfs/dbraw/zinc/80/07/37/567800737.db2.gz CECPOLHSMPTRJW-GPMSIDNRSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647790060 567800823 /nfs/dbraw/zinc/80/08/23/567800823.db2.gz QQAWRRPBIBGRAP-FUHIMQAGSA-N 2 0 392.385 3.391 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1OCCCO ZINC000647798012 567801744 /nfs/dbraw/zinc/80/17/44/567801744.db2.gz JXZYSVRPWZTZPK-QBYUYEEZSA-N 2 0 397.357 3.249 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791861 567801860 /nfs/dbraw/zinc/80/18/60/567801860.db2.gz OSVZEPMIMOFXPM-REWJHTLYSA-N 2 0 381.314 3.259 20 0 GGADRP Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791662 567801909 /nfs/dbraw/zinc/80/19/09/567801909.db2.gz JTIIEMBMAUPJGG-XLMAVXFVSA-N 2 0 378.358 3.253 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000647795200 567801983 /nfs/dbraw/zinc/80/19/83/567801983.db2.gz JYWPPGIWZDGGHH-IARIHHJXSA-N 2 0 382.335 3.467 20 0 GGADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Br)cc1F ZINC000647814382 567802039 /nfs/dbraw/zinc/80/20/39/567802039.db2.gz LQHAWBOJOAXWKE-UHFFFAOYSA-N 2 0 384.293 3.133 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791860 567802326 /nfs/dbraw/zinc/80/23/26/567802326.db2.gz OSVZEPMIMOFXPM-IGQOVBAYSA-N 2 0 381.314 3.259 20 0 GGADRP Brc1ccc(-n2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000647794682 567802333 /nfs/dbraw/zinc/80/23/33/567802333.db2.gz AQWAUWVLXTXQPM-YQQAZPJKSA-N 2 0 375.314 3.113 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791862 567802370 /nfs/dbraw/zinc/80/23/70/567802370.db2.gz OSVZEPMIMOFXPM-RFQIPJPRSA-N 2 0 381.314 3.259 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791706 567802445 /nfs/dbraw/zinc/80/24/45/567802445.db2.gz KSGCPOXTPRYQNO-OFQRWUPVSA-N 2 0 380.330 3.064 20 0 GGADRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000647906230 567807202 /nfs/dbraw/zinc/80/72/02/567807202.db2.gz SOAQTFITBUZOCO-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000647951803 567808383 /nfs/dbraw/zinc/80/83/83/567808383.db2.gz UYZFYQBMGFHWLP-AWEZNQCLSA-N 2 0 375.314 3.467 20 0 GGADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000647951804 567808404 /nfs/dbraw/zinc/80/84/04/567808404.db2.gz UYZFYQBMGFHWLP-CQSZACIVSA-N 2 0 375.314 3.467 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000647977904 567808822 /nfs/dbraw/zinc/80/88/22/567808822.db2.gz JQJHGJIBDWUNGU-CVEARBPZSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647976955 567809028 /nfs/dbraw/zinc/80/90/28/567809028.db2.gz WHJXSZFLNQTCSF-HOTGVXAUSA-N 2 0 394.357 3.489 20 0 GGADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986876 567809547 /nfs/dbraw/zinc/80/95/47/567809547.db2.gz ILBXBQPZEVYFFN-KGLIPLIRSA-N 2 0 383.330 3.288 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987295 567809860 /nfs/dbraw/zinc/80/98/60/567809860.db2.gz GUOOLGAEIUZNMK-KKUMJFAQSA-N 2 0 384.351 3.492 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000575058005 567811122 /nfs/dbraw/zinc/81/11/22/567811122.db2.gz FSDVBTLZJSUIIK-NSHDSACASA-N 2 0 394.368 3.023 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000024741482 570390567 /nfs/dbraw/zinc/39/05/67/570390567.db2.gz LWWALWDHDZFGCN-FQEVSTJZSA-N 2 0 386.565 3.315 20 0 GGADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC[N@@H+]1C ZINC000820667473 599448743 /nfs/dbraw/zinc/44/87/43/599448743.db2.gz MOTIRCFGLIHBOH-OXJNMPFZSA-N 2 0 392.507 3.018 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820667615 599449216 /nfs/dbraw/zinc/44/92/16/599449216.db2.gz NCBPAPHCWUQFHU-VQIMIIECSA-N 2 0 392.507 3.018 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000833615330 605218955 /nfs/dbraw/zinc/21/89/55/605218955.db2.gz MQYIVGBGBZMLJN-LJQANCHMSA-N 2 0 387.568 3.480 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821615922 606221500 /nfs/dbraw/zinc/22/15/00/606221500.db2.gz URZRILCTHGIPCP-UHFFFAOYSA-N 2 0 394.504 3.443 20 0 GGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824884309 607812524 /nfs/dbraw/zinc/81/25/24/607812524.db2.gz NFGBXCHMEJPFIX-WBVHZDCISA-N 2 0 382.537 3.319 20 0 GGADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)ccc1F ZINC000825870311 608512285 /nfs/dbraw/zinc/51/22/85/608512285.db2.gz GITOYRQYRVEMOS-HXUWFJFHSA-N 2 0 380.471 3.235 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccc(-c2nn[nH]n2)c1 ZINC000824537624 609167539 /nfs/dbraw/zinc/16/75/39/609167539.db2.gz FDMMSWXMIHWOIT-JJCGOBCMSA-N 2 0 388.519 3.428 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccccc1 ZINC000053048444 1406271091 /nfs/dbraw/zinc/27/10/91/1406271091.db2.gz IIUSNPWPDDNDMN-HXUWFJFHSA-N 2 0 379.548 3.330 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054029930 1406591751 /nfs/dbraw/zinc/59/17/51/1406591751.db2.gz UPIMPNSEXJECDA-NRFANRHFSA-N 2 0 396.535 3.380 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 ZINC000054037577 1406598590 /nfs/dbraw/zinc/59/85/90/1406598590.db2.gz JMUOSDIJNXMKTR-DLBZAZTESA-N 2 0 390.553 3.470 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000054042382 1406601928 /nfs/dbraw/zinc/60/19/28/1406601928.db2.gz DWNLIOGNEBNKDT-GOSISDBHSA-N 2 0 378.586 3.306 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000054039776 1406600504 /nfs/dbraw/zinc/60/05/04/1406600504.db2.gz DJRWZPPHCMYLEN-CVEARBPZSA-N 2 0 376.526 3.080 20 0 GGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000054385509 1406710695 /nfs/dbraw/zinc/71/06/95/1406710695.db2.gz CLIPTLKWWSOWDN-SFHVURJKSA-N 2 0 387.572 3.070 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)o1 ZINC000054698737 1406808136 /nfs/dbraw/zinc/80/81/36/1406808136.db2.gz VHKXJYCHIUYUSZ-PZJWPPBQSA-N 2 0 398.551 3.497 20 0 GGADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000054761471 1406819889 /nfs/dbraw/zinc/81/98/89/1406819889.db2.gz IPKPHDDISOBJML-UHFFFAOYSA-N 2 0 398.526 3.221 20 0 GGADRP C[N@H+](CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000054764479 1406820819 /nfs/dbraw/zinc/82/08/19/1406820819.db2.gz AUNHPLQGEUYSJE-UHFFFAOYSA-N 2 0 380.536 3.214 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054920547 1406851289 /nfs/dbraw/zinc/85/12/89/1406851289.db2.gz HDIHJERHKYMQFK-HSZRJFAPSA-N 2 0 394.563 3.255 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000028887783 1400207593 /nfs/dbraw/zinc/20/75/93/1400207593.db2.gz QSZPJCIAEOROMW-GOSISDBHSA-N 2 0 396.535 3.033 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(=O)NCc2ccccc2)c1 ZINC000056184818 1407245212 /nfs/dbraw/zinc/24/52/12/1407245212.db2.gz OTZLHKOPTORXSP-SFHVURJKSA-N 2 0 396.535 3.033 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000056441852 1407331350 /nfs/dbraw/zinc/33/13/50/1407331350.db2.gz JKGURDOFSYSCCI-UHFFFAOYSA-N 2 0 390.547 3.211 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043037903 1403694387 /nfs/dbraw/zinc/69/43/87/1403694387.db2.gz WJLVNJJPGVDUSR-LJQANCHMSA-N 2 0 376.545 3.418 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043137217 1403713772 /nfs/dbraw/zinc/71/37/72/1403713772.db2.gz XUVDKMUOLSHENU-OALUTQOASA-N 2 0 376.545 3.370 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC000043145599 1403719031 /nfs/dbraw/zinc/71/90/31/1403719031.db2.gz ZVQOXSBTYFVKIQ-LJQANCHMSA-N 2 0 386.565 3.268 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000043179209 1403726395 /nfs/dbraw/zinc/72/63/95/1403726395.db2.gz XOJAWDNOEXCNSY-UHFFFAOYSA-N 2 0 390.572 3.079 20 0 GGADRP C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000056523055 1407352517 /nfs/dbraw/zinc/35/25/17/1407352517.db2.gz CGBMZKISWQZQTA-RRFGBZISSA-N 2 0 376.541 3.132 20 0 GGADRP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000056523057 1407352585 /nfs/dbraw/zinc/35/25/85/1407352585.db2.gz CGBMZKISWQZQTA-PRPIBZDOSA-N 2 0 376.541 3.132 20 0 GGADRP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)ccc2c1 ZINC000056524804 1407353468 /nfs/dbraw/zinc/35/34/68/1407353468.db2.gz RPNAYBRHWDAWLA-UHFFFAOYSA-N 2 0 397.563 3.471 20 0 GGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799195 1403819034 /nfs/dbraw/zinc/81/90/34/1403819034.db2.gz CIIZWUMHTNDJGE-UHFFFAOYSA-N 2 0 389.588 3.270 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000056562976 1407363037 /nfs/dbraw/zinc/36/30/37/1407363037.db2.gz NKJGRAUWNXTPFH-LJQANCHMSA-N 2 0 387.572 3.133 20 0 GGADRP O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000045121633 1404057804 /nfs/dbraw/zinc/05/78/04/1404057804.db2.gz MZXITZFYMDCFKP-IBGZPJMESA-N 2 0 378.948 3.262 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccsc1 ZINC000045541243 1404144140 /nfs/dbraw/zinc/14/41/40/1404144140.db2.gz JNNJUCVTOGHBKN-HXUWFJFHSA-N 2 0 386.565 3.446 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000046893256 1404625593 /nfs/dbraw/zinc/62/55/93/1404625593.db2.gz TZFVOJFDFSHARO-LJQANCHMSA-N 2 0 386.565 3.098 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000047302520 1404797119 /nfs/dbraw/zinc/79/71/19/1404797119.db2.gz JXMLSEMLQOKLQR-JOCHJYFZSA-N 2 0 383.511 3.457 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777637 1404938684 /nfs/dbraw/zinc/93/86/84/1404938684.db2.gz QBFZHYMCCXKKNO-NRFANRHFSA-N 2 0 396.535 3.164 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000047777772 1404940678 /nfs/dbraw/zinc/94/06/78/1404940678.db2.gz DXVDOABXPSVFDG-FQEVSTJZSA-N 2 0 384.524 3.368 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000047882910 1404982385 /nfs/dbraw/zinc/98/23/85/1404982385.db2.gz AROLMOBYAYORHM-RXVVDRJESA-N 2 0 396.535 3.163 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000047884243 1404983982 /nfs/dbraw/zinc/98/39/82/1404983982.db2.gz VDXASMTXSDBVCG-UHFFFAOYSA-N 2 0 392.975 3.476 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000047915649 1404995176 /nfs/dbraw/zinc/99/51/76/1404995176.db2.gz WPNKJDXYSKJZTI-LJQANCHMSA-N 2 0 390.597 3.447 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000048059284 1405037002 /nfs/dbraw/zinc/03/70/02/1405037002.db2.gz KQJZBRYOLVLEJS-NRFANRHFSA-N 2 0 399.514 3.002 20 0 GGADRP CC1CC[NH+](CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000048214834 1405101176 /nfs/dbraw/zinc/10/11/76/1405101176.db2.gz YGBZYHROKHHUKS-UHFFFAOYSA-N 2 0 392.975 3.336 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000048283186 1405127358 /nfs/dbraw/zinc/12/73/58/1405127358.db2.gz NGDFFUPCIOJCDV-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395056 1405177656 /nfs/dbraw/zinc/17/76/56/1405177656.db2.gz CRXHSKXVJHOJFI-HXUWFJFHSA-N 2 0 390.959 3.403 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000048394989 1405177692 /nfs/dbraw/zinc/17/76/92/1405177692.db2.gz AWBUHTJCIPMLMB-UHFFFAOYSA-N 2 0 384.568 3.345 20 0 GGADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564030 1405226717 /nfs/dbraw/zinc/22/67/17/1405226717.db2.gz QRRVDHBBZHICKW-LJQANCHMSA-N 2 0 387.568 3.288 20 0 GGADRP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564027 1405226916 /nfs/dbraw/zinc/22/69/16/1405226916.db2.gz QRRVDHBBZHICKW-IBGZPJMESA-N 2 0 387.568 3.288 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000048686083 1405257255 /nfs/dbraw/zinc/25/72/55/1405257255.db2.gz QHKXXZCCAQPYQP-UHFFFAOYSA-N 2 0 381.520 3.153 20 0 GGADRP Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(OCC[NH+](C)C)c1 ZINC000173475196 1426649024 /nfs/dbraw/zinc/64/90/24/1426649024.db2.gz KALUOHOJHUTKIQ-SFHVURJKSA-N 2 0 376.545 3.274 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000048715075 1405265888 /nfs/dbraw/zinc/26/58/88/1405265888.db2.gz REPFCOHTHJLBRX-QFIPXVFZSA-N 2 0 381.520 3.080 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048717161 1405266846 /nfs/dbraw/zinc/26/68/46/1405266846.db2.gz OQQPRXUFIFWEPN-UHFFFAOYSA-N 2 0 380.492 3.316 20 0 GGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000048779446 1405290619 /nfs/dbraw/zinc/29/06/19/1405290619.db2.gz NIBITDGYGMZBGT-SFHVURJKSA-N 2 0 398.551 3.460 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccs3)cc2)CC1 ZINC000048783003 1405292356 /nfs/dbraw/zinc/29/23/56/1405292356.db2.gz XWRGAMSSHYPESE-UHFFFAOYSA-N 2 0 381.549 3.175 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000048782993 1405292413 /nfs/dbraw/zinc/29/24/13/1405292413.db2.gz WTEVKSDPIOCXHQ-UHFFFAOYSA-N 2 0 375.520 3.114 20 0 GGADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc2c1OCO2 ZINC000048816676 1405297814 /nfs/dbraw/zinc/29/78/14/1405297814.db2.gz LLVXUHUPRCUVPY-IRXDYDNUSA-N 2 0 398.503 3.323 20 0 GGADRP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc2c1OCO2 ZINC000048816673 1405298180 /nfs/dbraw/zinc/29/81/80/1405298180.db2.gz LLVXUHUPRCUVPY-CALCHBBNSA-N 2 0 398.503 3.323 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)o1 ZINC000048975075 1405329723 /nfs/dbraw/zinc/32/97/23/1405329723.db2.gz JDQMSANQGZSRDY-UHFFFAOYSA-N 2 0 379.570 3.213 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050029248 1405457647 /nfs/dbraw/zinc/45/76/47/1405457647.db2.gz SILAVCHPXUJFPN-UHFFFAOYSA-N 2 0 377.532 3.461 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000050136969 1405496356 /nfs/dbraw/zinc/49/63/56/1405496356.db2.gz BPMZUODZAQYZTO-QYZOEREBSA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137041 1405496710 /nfs/dbraw/zinc/49/67/10/1405496710.db2.gz IHWPNSWXCFAAOW-GOSISDBHSA-N 2 0 380.602 3.189 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000050136841 1405497052 /nfs/dbraw/zinc/49/70/52/1405497052.db2.gz ITXYHNFLDMUHPL-QZTJIDSGSA-N 2 0 378.586 3.134 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000050137029 1405497192 /nfs/dbraw/zinc/49/71/92/1405497192.db2.gz DIVVDUIEOLAJDZ-SFHVURJKSA-N 2 0 390.597 3.230 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050137741 1405497583 /nfs/dbraw/zinc/49/75/83/1405497583.db2.gz MXNKTZUIJKKYJQ-GOSISDBHSA-N 2 0 392.613 3.476 20 0 GGADRP CC(C)(C)[NH2+]CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000051155073 1405733351 /nfs/dbraw/zinc/73/33/51/1405733351.db2.gz NLWUOYBUJRNQQE-UHFFFAOYSA-N 2 0 394.563 3.331 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccccc3OCc3cccnc3)CC2)CC1 ZINC000051189684 1405740774 /nfs/dbraw/zinc/74/07/74/1405740774.db2.gz NJMSEBWVLNZZHO-UHFFFAOYSA-N 2 0 394.563 3.309 20 0 GGADRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000051828037 1405871186 /nfs/dbraw/zinc/87/11/86/1405871186.db2.gz QCZSBNLBLNPRGM-ONEGZZNKSA-N 2 0 382.460 3.264 20 0 GGADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051957401 1405889686 /nfs/dbraw/zinc/88/96/86/1405889686.db2.gz IBRYWBGVVJZJEK-DENIHFKCSA-N 2 0 387.568 3.077 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCCc3cc(OC)ccc32)CC1 ZINC000052209044 1405983124 /nfs/dbraw/zinc/98/31/24/1405983124.db2.gz WXQVZNKFEHNPIX-UHFFFAOYSA-N 2 0 387.568 3.418 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)CC1 ZINC000052209199 1405983520 /nfs/dbraw/zinc/98/35/20/1405983520.db2.gz MRFSNVHYALWTRH-UHFFFAOYSA-N 2 0 375.557 3.098 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000052521012 1406071833 /nfs/dbraw/zinc/07/18/33/1406071833.db2.gz PHMVSLFINBTYME-QFIPXVFZSA-N 2 0 384.568 3.386 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000056786975 1407432258 /nfs/dbraw/zinc/43/22/58/1407432258.db2.gz KWRDQYPZYRSKFI-ICSRJNTNSA-N 2 0 386.584 3.379 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000056794169 1407435807 /nfs/dbraw/zinc/43/58/07/1407435807.db2.gz PHMJBLLCDSFKFI-LJQANCHMSA-N 2 0 388.512 3.091 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000056934120 1407477201 /nfs/dbraw/zinc/47/72/01/1407477201.db2.gz YKTOKSZQBGDDBE-HXUWFJFHSA-N 2 0 388.556 3.006 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000056937360 1407479157 /nfs/dbraw/zinc/47/91/57/1407479157.db2.gz ARGIADUDBIXIJS-JOCHJYFZSA-N 2 0 398.526 3.346 20 0 GGADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000057127927 1407530048 /nfs/dbraw/zinc/53/00/48/1407530048.db2.gz IOCYEWHRXJFQQZ-JTHBVZDNSA-N 2 0 395.547 3.326 20 0 GGADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000057127924 1407530198 /nfs/dbraw/zinc/53/01/98/1407530198.db2.gz IOCYEWHRXJFQQZ-FYYLOGMGSA-N 2 0 395.547 3.326 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000057127873 1407530484 /nfs/dbraw/zinc/53/04/84/1407530484.db2.gz OZMYJFNYGGHLBA-QHCPKHFHSA-N 2 0 379.548 3.188 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057165676 1407540702 /nfs/dbraw/zinc/54/07/02/1407540702.db2.gz BNVBJFQETFQQPU-UHFFFAOYSA-N 2 0 392.547 3.462 20 0 GGADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057174565 1407545767 /nfs/dbraw/zinc/54/57/67/1407545767.db2.gz KFIJHXNOYOFZSB-QFIPXVFZSA-N 2 0 395.547 3.155 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000057606318 1407663037 /nfs/dbraw/zinc/66/30/37/1407663037.db2.gz IGSNKLPPXJUKFM-SFHVURJKSA-N 2 0 376.545 3.322 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000057606321 1407663698 /nfs/dbraw/zinc/66/36/98/1407663698.db2.gz IGSNKLPPXJUKFM-GOSISDBHSA-N 2 0 376.545 3.322 20 0 GGADRP CCN1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC000176342167 1428257414 /nfs/dbraw/zinc/25/74/14/1428257414.db2.gz IVTKOZQNMOKNOT-SFHVURJKSA-N 2 0 394.563 3.321 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000057843934 1407736334 /nfs/dbraw/zinc/73/63/34/1407736334.db2.gz VPLHHRTZWXBWFB-UHFFFAOYSA-N 2 0 376.504 3.039 20 0 GGADRP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888757 1407746760 /nfs/dbraw/zinc/74/67/60/1407746760.db2.gz OSOSNNHGEMJFQM-GOSISDBHSA-N 2 0 377.598 3.383 20 0 GGADRP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889090 1407746997 /nfs/dbraw/zinc/74/69/97/1407746997.db2.gz QRMMQTWKYZZBEE-NRFANRHFSA-N 2 0 390.568 3.413 20 0 GGADRP COc1ccc(COC[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889636 1407747687 /nfs/dbraw/zinc/74/76/87/1407747687.db2.gz MZUGRSRQDMZQJN-JOCHJYFZSA-N 2 0 390.568 3.161 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1)c1ccccc1 ZINC000057914418 1407754315 /nfs/dbraw/zinc/75/43/15/1407754315.db2.gz MJUMXHLWBOHGMH-HSZRJFAPSA-N 2 0 395.547 3.469 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000176351103 1428262649 /nfs/dbraw/zinc/26/26/49/1428262649.db2.gz GFHKNLYPUDPLFS-IBGZPJMESA-N 2 0 392.544 3.263 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058891266 1407894913 /nfs/dbraw/zinc/89/49/13/1407894913.db2.gz RWWGOANWFGVRFB-RBUKOAKNSA-N 2 0 375.557 3.257 20 0 GGADRP CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000059037205 1407913735 /nfs/dbraw/zinc/91/37/35/1407913735.db2.gz NTMJCFZWUOBRAR-GOSISDBHSA-N 2 0 376.545 3.370 20 0 GGADRP FC(F)Oc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060833555 1408039389 /nfs/dbraw/zinc/03/93/89/1408039389.db2.gz XWUALRVQDBTNCT-UHFFFAOYSA-N 2 0 375.463 3.195 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(OC)ccc3OC)cc2)CC1 ZINC000061070125 1408073606 /nfs/dbraw/zinc/07/36/06/1408073606.db2.gz RUVQTFFQCOEFBH-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000061070303 1408073772 /nfs/dbraw/zinc/07/37/72/1408073772.db2.gz CRYMGJSBHLJOGO-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000061112683 1408079199 /nfs/dbraw/zinc/07/91/99/1408079199.db2.gz LAVJWRXPFNHQPL-QHCPKHFHSA-N 2 0 394.563 3.250 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCc3ccccc3C2)c1 ZINC000061863758 1408184647 /nfs/dbraw/zinc/18/46/47/1408184647.db2.gz UHXTXONDYVXBIF-UHFFFAOYSA-N 2 0 394.563 3.386 20 0 GGADRP CC(C)[C@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000061943487 1408193128 /nfs/dbraw/zinc/19/31/28/1408193128.db2.gz AKPXWWXFNQCHFB-OALUTQOASA-N 2 0 380.602 3.407 20 0 GGADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)C(C)C ZINC000062474154 1408262567 /nfs/dbraw/zinc/26/25/67/1408262567.db2.gz SFWLYFCNMHAWJE-UHFFFAOYSA-N 2 0 384.515 3.157 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000062527922 1408274075 /nfs/dbraw/zinc/27/40/75/1408274075.db2.gz MRLUGXJSFOLXAT-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000062528469 1408274188 /nfs/dbraw/zinc/27/41/88/1408274188.db2.gz KDPXEJAZZMVPGG-OAQYLSRUSA-N 2 0 376.589 3.301 20 0 GGADRP C[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000063148630 1408308690 /nfs/dbraw/zinc/30/86/90/1408308690.db2.gz MOZNFDIAPMOSDD-RTBURBONSA-N 2 0 388.625 3.378 20 0 GGADRP CC(C)C[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000063149253 1408308994 /nfs/dbraw/zinc/30/89/94/1408308994.db2.gz KUUXEAXAVDTDFM-HXUWFJFHSA-N 2 0 376.614 3.091 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063399182 1408349206 /nfs/dbraw/zinc/34/92/06/1408349206.db2.gz LYGYJXQUSKSTDZ-HXUWFJFHSA-N 2 0 388.556 3.370 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000176427858 1428316930 /nfs/dbraw/zinc/31/69/30/1428316930.db2.gz ZBNQAIPVGMDTRN-RTWAWAEBSA-N 2 0 388.531 3.058 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026416 1408468904 /nfs/dbraw/zinc/46/89/04/1408468904.db2.gz GEHWKPLNWLBEKR-UHFFFAOYSA-N 2 0 378.520 3.072 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064251256 1408520562 /nfs/dbraw/zinc/52/05/62/1408520562.db2.gz QDJZRQGWMWPFKB-UHFFFAOYSA-N 2 0 392.613 3.380 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000064251174 1408520581 /nfs/dbraw/zinc/52/05/81/1408520581.db2.gz WTWXGNZUOYODKD-IBGZPJMESA-N 2 0 390.597 3.230 20 0 GGADRP CCc1ccc2c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc(=O)oc2c1 ZINC000064344432 1408537327 /nfs/dbraw/zinc/53/73/27/1408537327.db2.gz FGUXBKIDSAIVRD-UHFFFAOYSA-N 2 0 384.520 3.290 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065442101 1408669944 /nfs/dbraw/zinc/66/99/44/1408669944.db2.gz DSFWZJFICMRBIZ-FQEVSTJZSA-N 2 0 388.556 3.324 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000065448317 1408671302 /nfs/dbraw/zinc/67/13/02/1408671302.db2.gz GFHQRYGZSPXMKN-UHFFFAOYSA-N 2 0 378.605 3.406 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000176498729 1428341202 /nfs/dbraw/zinc/34/12/02/1428341202.db2.gz ONCZHUZWQUZUOG-OAQYLSRUSA-N 2 0 376.589 3.443 20 0 GGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000065480368 1408676114 /nfs/dbraw/zinc/67/61/14/1408676114.db2.gz UGUCMLZHMVBIFP-OAQYLSRUSA-N 2 0 386.584 3.333 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000065518006 1408682306 /nfs/dbraw/zinc/68/23/06/1408682306.db2.gz VTAGHNLCDZXAKR-UNMCSNQZSA-N 2 0 386.584 3.320 20 0 GGADRP C[N@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000065540688 1408685668 /nfs/dbraw/zinc/68/56/68/1408685668.db2.gz REWZWOVEDUSKQA-UHFFFAOYSA-N 2 0 386.584 3.416 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176498717 1428340977 /nfs/dbraw/zinc/34/09/77/1428340977.db2.gz ONCZHUZWQUZUOG-NRFANRHFSA-N 2 0 376.589 3.443 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000065876443 1408746870 /nfs/dbraw/zinc/74/68/70/1408746870.db2.gz RCRGHEUTBHIZAW-IBGZPJMESA-N 2 0 375.532 3.371 20 0 GGADRP C#CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCCC1 ZINC000065960184 1408763081 /nfs/dbraw/zinc/76/30/81/1408763081.db2.gz BCUOLNGINCIPEU-UHFFFAOYSA-N 2 0 381.564 3.344 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000066175190 1408786799 /nfs/dbraw/zinc/78/67/99/1408786799.db2.gz XGEDTLXXCLVPEO-SFHVURJKSA-N 2 0 378.586 3.401 20 0 GGADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066175945 1408787199 /nfs/dbraw/zinc/78/71/99/1408787199.db2.gz WDOZKJRCQMYBNS-INIZCTEOSA-N 2 0 380.964 3.334 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000066186164 1408788447 /nfs/dbraw/zinc/78/84/47/1408788447.db2.gz IOSWWNXUVUWZCM-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066190962 1408789461 /nfs/dbraw/zinc/78/94/61/1408789461.db2.gz ZEDWCYYVLXOQEV-NRFANRHFSA-N 2 0 386.584 3.414 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000176524715 1428350137 /nfs/dbraw/zinc/35/01/37/1428350137.db2.gz FQKIATZTOSOEOU-BWAGFHJFSA-N 2 0 384.568 3.480 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000176552710 1428361039 /nfs/dbraw/zinc/36/10/39/1428361039.db2.gz CZYMFDLMAFAQNK-KDURUIRLSA-N 2 0 390.572 3.347 20 0 GGADRP COc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC(C)C ZINC000066877046 1408939440 /nfs/dbraw/zinc/93/94/40/1408939440.db2.gz YVJVURRFNATPHQ-UHFFFAOYSA-N 2 0 398.551 3.167 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)CC1 ZINC000066960738 1408963630 /nfs/dbraw/zinc/96/36/30/1408963630.db2.gz CAKOUYADGIHRSB-GOSISDBHSA-N 2 0 375.557 3.144 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)CC1 ZINC000066960881 1408963938 /nfs/dbraw/zinc/96/39/38/1408963938.db2.gz ZOXPKAPPWAJURT-SFHVURJKSA-N 2 0 375.557 3.144 20 0 GGADRP COc1ccc2cc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000066994849 1408974831 /nfs/dbraw/zinc/97/48/31/1408974831.db2.gz RHLAFRAXKPGNKN-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000067003402 1408977749 /nfs/dbraw/zinc/97/77/49/1408977749.db2.gz ORBRTKJJAQNMGZ-CVEARBPZSA-N 2 0 378.542 3.326 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000067003305 1408977979 /nfs/dbraw/zinc/97/79/79/1408977979.db2.gz SJBDAOBNXAEFDX-UXHICEINSA-N 2 0 384.524 3.327 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000067120210 1409013444 /nfs/dbraw/zinc/01/34/44/1409013444.db2.gz RFCIZZSNTHNOJU-MRXNPFEDSA-N 2 0 375.891 3.303 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000067187068 1409036159 /nfs/dbraw/zinc/03/61/59/1409036159.db2.gz LGQAFWSNZUHLMN-HXUWFJFHSA-N 2 0 395.551 3.195 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000067188424 1409036466 /nfs/dbraw/zinc/03/64/66/1409036466.db2.gz RXWHIZFPIVMBTN-KRWDZBQOSA-N 2 0 389.975 3.009 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000067189078 1409036717 /nfs/dbraw/zinc/03/67/17/1409036717.db2.gz UXQANUCIKORVOB-HDICACEKSA-N 2 0 384.568 3.260 20 0 GGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000067378701 1409093058 /nfs/dbraw/zinc/09/30/58/1409093058.db2.gz FKQMRZDXXGWDTB-HXUWFJFHSA-N 2 0 395.588 3.068 20 0 GGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)c1 ZINC000067450009 1409121432 /nfs/dbraw/zinc/12/14/32/1409121432.db2.gz HXNHUHIMUQIIQO-UHFFFAOYSA-N 2 0 383.536 3.284 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000176604392 1428377333 /nfs/dbraw/zinc/37/73/33/1428377333.db2.gz KCEMIARGGBNCRE-YADHBBJMSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000067671642 1409204078 /nfs/dbraw/zinc/20/40/78/1409204078.db2.gz YLOAVMCBPLJLOA-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000067691356 1409207537 /nfs/dbraw/zinc/20/75/37/1409207537.db2.gz MQOHJAANTZVIGE-HXUWFJFHSA-N 2 0 387.568 3.432 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000067691359 1409207627 /nfs/dbraw/zinc/20/76/27/1409207627.db2.gz MQOHJAANTZVIGE-FQEVSTJZSA-N 2 0 387.568 3.432 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000067705632 1409210202 /nfs/dbraw/zinc/21/02/02/1409210202.db2.gz ISNJDSBZFDIVFD-JOCHJYFZSA-N 2 0 398.551 3.038 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000067707619 1409211013 /nfs/dbraw/zinc/21/10/13/1409211013.db2.gz XUVKJPZLKCYMHW-HXUWFJFHSA-N 2 0 386.584 3.113 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccco1 ZINC000067709129 1409212304 /nfs/dbraw/zinc/21/23/04/1409212304.db2.gz FVHPSMYBNJEURX-IAGOWNOFSA-N 2 0 378.542 3.326 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000067709273 1409212741 /nfs/dbraw/zinc/21/27/41/1409212741.db2.gz PRQWPRNYYOLFHX-FQEVSTJZSA-N 2 0 399.539 3.021 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000067734531 1409217271 /nfs/dbraw/zinc/21/72/71/1409217271.db2.gz GVAOOOLVMRKTRL-QHCPKHFHSA-N 2 0 394.563 3.460 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067773816 1409227628 /nfs/dbraw/zinc/22/76/28/1409227628.db2.gz NMEKHAYBWYEKIP-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000068201941 1409329702 /nfs/dbraw/zinc/32/97/02/1409329702.db2.gz AZKNNCCYLWGVQH-NRFANRHFSA-N 2 0 383.511 3.416 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068449852 1409405877 /nfs/dbraw/zinc/40/58/77/1409405877.db2.gz CLBCSHNWUMIKOT-LJQANCHMSA-N 2 0 375.532 3.418 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000068581756 1409444901 /nfs/dbraw/zinc/44/49/01/1409444901.db2.gz UDNAWXPYPBWAMC-UHFFFAOYSA-N 2 0 392.563 3.411 20 0 GGADRP C[C@H](CC[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068592726 1409446919 /nfs/dbraw/zinc/44/69/19/1409446919.db2.gz VHGOPFKCGRDVPV-OAHLLOKOSA-N 2 0 388.478 3.119 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707065 1409472449 /nfs/dbraw/zinc/47/24/49/1409472449.db2.gz RYKFRDVEEDYKSI-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccsc1 ZINC000068887156 1409516001 /nfs/dbraw/zinc/51/60/01/1409516001.db2.gz OXGXIOJXPFTJIO-LJQANCHMSA-N 2 0 378.586 3.305 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000069045939 1409552645 /nfs/dbraw/zinc/55/26/45/1409552645.db2.gz VZRREPLKXRMFMP-LJQANCHMSA-N 2 0 375.557 3.257 20 0 GGADRP CN(CCC#N)c1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000069171459 1409579994 /nfs/dbraw/zinc/57/99/94/1409579994.db2.gz UFFRIYJNUZJZFU-XMMPIXPASA-N 2 0 391.563 3.115 20 0 GGADRP COc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1SC ZINC000069171001 1409580321 /nfs/dbraw/zinc/58/03/21/1409580321.db2.gz UUWSPDRZCJPNSC-FQEVSTJZSA-N 2 0 385.577 3.495 20 0 GGADRP COc1cccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)c1 ZINC000069178793 1409582320 /nfs/dbraw/zinc/58/23/20/1409582320.db2.gz ZXEOPKYLHYSDLB-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000069180012 1409582399 /nfs/dbraw/zinc/58/23/99/1409582399.db2.gz ZKULZDWOWMFDRP-NRFANRHFSA-N 2 0 381.520 3.324 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000069575610 1409654399 /nfs/dbraw/zinc/65/43/99/1409654399.db2.gz FOAXIMSQKHQFRQ-UHFFFAOYSA-N 2 0 378.948 3.096 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000069680048 1409674094 /nfs/dbraw/zinc/67/40/94/1409674094.db2.gz KBNLAGRRQKEWDF-UHFFFAOYSA-N 2 0 389.975 3.260 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069679968 1409674237 /nfs/dbraw/zinc/67/42/37/1409674237.db2.gz KRBNEEWFTATRKE-UHFFFAOYSA-N 2 0 389.975 3.260 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1O ZINC000069748068 1409691008 /nfs/dbraw/zinc/69/10/08/1409691008.db2.gz MVIZBVMCQZHWRG-UHFFFAOYSA-N 2 0 383.536 3.088 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)CC1 ZINC000069785252 1409698171 /nfs/dbraw/zinc/69/81/71/1409698171.db2.gz XZHVACRLLGJMOU-UHFFFAOYSA-N 2 0 388.353 3.486 20 0 GGADRP CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000069833203 1409711716 /nfs/dbraw/zinc/71/17/16/1409711716.db2.gz XHYBIRXFWPJDAM-UHFFFAOYSA-N 2 0 381.520 3.201 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC000069833275 1409712083 /nfs/dbraw/zinc/71/20/83/1409712083.db2.gz HCCOYCVPZKKTHX-ROUUACIJSA-N 2 0 382.504 3.357 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000070031731 1409742187 /nfs/dbraw/zinc/74/21/87/1409742187.db2.gz RUHFPQUDAWKFRW-FQEVSTJZSA-N 2 0 381.520 3.478 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000071913346 1409830140 /nfs/dbraw/zinc/83/01/40/1409830140.db2.gz MABAUZNIISJSCX-IBGZPJMESA-N 2 0 386.565 3.446 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000072036125 1409839503 /nfs/dbraw/zinc/83/95/03/1409839503.db2.gz YALKYBVVHIAENC-FQEVSTJZSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044421 1409840715 /nfs/dbraw/zinc/84/07/15/1409840715.db2.gz OINOHNPYLYKKOJ-MSOLQXFVSA-N 2 0 378.586 3.305 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000072489286 1409849774 /nfs/dbraw/zinc/84/97/74/1409849774.db2.gz WACRXLVAJFZSPM-GOSISDBHSA-N 2 0 378.586 3.306 20 0 GGADRP CC(C)[NH+](CCCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(C)C ZINC000072731743 1409853060 /nfs/dbraw/zinc/85/30/60/1409853060.db2.gz GQUBPZBBAPRYSW-UHFFFAOYSA-N 2 0 375.561 3.069 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072731601 1409853084 /nfs/dbraw/zinc/85/30/84/1409853084.db2.gz VQMGFALCVRFATA-OAQYLSRUSA-N 2 0 384.568 3.024 20 0 GGADRP CCn1cc(C[NH+](C)Cc2cccc(C[N@@H+](C)Cc3cnn(CC)c3)c2)cn1 ZINC000072989132 1409856839 /nfs/dbraw/zinc/85/68/39/1409856839.db2.gz SGBLIWWGICKWFI-UHFFFAOYSA-N 2 0 380.540 3.383 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000073665510 1409863841 /nfs/dbraw/zinc/86/38/41/1409863841.db2.gz GXMVNCIAHJZXKW-RBBKRZOGSA-N 2 0 386.584 3.414 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000073665517 1409864154 /nfs/dbraw/zinc/86/41/54/1409864154.db2.gz GXMVNCIAHJZXKW-UNMCSNQZSA-N 2 0 386.584 3.414 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000074084671 1409868994 /nfs/dbraw/zinc/86/89/94/1409868994.db2.gz VPFOMMNBJJHABK-VXKWHMMOSA-N 2 0 386.584 3.067 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000074103601 1409869324 /nfs/dbraw/zinc/86/93/24/1409869324.db2.gz ZSEVEIKWXIPEFS-IRLDBZIGSA-N 2 0 386.584 3.413 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000074845297 1409877300 /nfs/dbraw/zinc/87/73/00/1409877300.db2.gz DTWWRGRQYJXMHG-HXUWFJFHSA-N 2 0 384.568 3.156 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000074852371 1409877692 /nfs/dbraw/zinc/87/76/92/1409877692.db2.gz DQICWKSRVUBERY-SFHLNBCPSA-N 2 0 378.605 3.118 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000074868204 1409878026 /nfs/dbraw/zinc/87/80/26/1409878026.db2.gz GVEPIEFMZFIRRT-OAQYLSRUSA-N 2 0 390.616 3.404 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000075689159 1409882630 /nfs/dbraw/zinc/88/26/30/1409882630.db2.gz GQWVHMVCHVJEIG-QFIPXVFZSA-N 2 0 380.536 3.385 20 0 GGADRP c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(N2CCCC2)n1 ZINC000075760996 1409882779 /nfs/dbraw/zinc/88/27/79/1409882779.db2.gz DYPPLMSAPXGCNX-UHFFFAOYSA-N 2 0 380.536 3.446 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000075689163 1409882807 /nfs/dbraw/zinc/88/28/07/1409882807.db2.gz GQWVHMVCHVJEIG-JOCHJYFZSA-N 2 0 380.536 3.385 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)N1CC[NH+](C)CC1 ZINC000075763236 1409883159 /nfs/dbraw/zinc/88/31/59/1409883159.db2.gz OSTFUCNDMZFVHN-LJQANCHMSA-N 2 0 376.545 3.311 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835595 1409883196 /nfs/dbraw/zinc/88/31/96/1409883196.db2.gz HIJTWGSHBFRCGN-MRXNPFEDSA-N 2 0 379.932 3.485 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000075834663 1409883235 /nfs/dbraw/zinc/88/32/35/1409883235.db2.gz VQBWOUQOHSPAHT-HXUWFJFHSA-N 2 0 382.556 3.318 20 0 GGADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)[C@H](C)C1 ZINC000076487956 1409888810 /nfs/dbraw/zinc/88/88/10/1409888810.db2.gz YFKBNVGXISZCCH-XLIONFOSSA-N 2 0 375.582 3.038 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000076554182 1409889405 /nfs/dbraw/zinc/88/94/05/1409889405.db2.gz SIPPYVIBONEADF-OAQYLSRUSA-N 2 0 384.568 3.202 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000076515070 1409889448 /nfs/dbraw/zinc/88/94/48/1409889448.db2.gz VOOLZWFRSDXLRR-JOCHJYFZSA-N 2 0 386.584 3.448 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000076577698 1409889912 /nfs/dbraw/zinc/88/99/12/1409889912.db2.gz HMVSHRNCRPHZEJ-QFIPXVFZSA-N 2 0 384.568 3.298 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000076776443 1409891484 /nfs/dbraw/zinc/89/14/84/1409891484.db2.gz JZAAJULZJFGHMD-SFHVURJKSA-N 2 0 375.557 3.316 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000077201978 1409894480 /nfs/dbraw/zinc/89/44/80/1409894480.db2.gz AAYIGTREDTWOSV-LJQANCHMSA-N 2 0 376.545 3.354 20 0 GGADRP CCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000077202168 1409894489 /nfs/dbraw/zinc/89/44/89/1409894489.db2.gz LEBQFWLSNSJJLB-GOSISDBHSA-N 2 0 376.545 3.274 20 0 GGADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c(C)c1 ZINC000077202340 1409894526 /nfs/dbraw/zinc/89/45/26/1409894526.db2.gz ZXOKALWZMVMCFM-GOSISDBHSA-N 2 0 376.545 3.274 20 0 GGADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c(C)c1 ZINC000077202341 1409894621 /nfs/dbraw/zinc/89/46/21/1409894621.db2.gz ZXOKALWZMVMCFM-SFHVURJKSA-N 2 0 376.545 3.274 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000077450207 1409896429 /nfs/dbraw/zinc/89/64/29/1409896429.db2.gz RZLHTHKJMDKXKN-UHFFFAOYSA-N 2 0 376.504 3.086 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785540 1409900457 /nfs/dbraw/zinc/90/04/57/1409900457.db2.gz HSZOKBDOTHYJTK-YADHBBJMSA-N 2 0 384.568 3.339 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077799924 1409901687 /nfs/dbraw/zinc/90/16/87/1409901687.db2.gz KYDRYHBVXPNHBB-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP COc1ccc2cc(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)ccc2c1 ZINC000078459293 1409919719 /nfs/dbraw/zinc/91/97/19/1409919719.db2.gz KJPSYYIQRHWHNG-UHFFFAOYSA-N 2 0 376.504 3.285 20 0 GGADRP CC[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079097230 1409956673 /nfs/dbraw/zinc/95/66/73/1409956673.db2.gz FJJCGILNNHVFMI-JOCHJYFZSA-N 2 0 386.584 3.243 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000079169114 1409961466 /nfs/dbraw/zinc/96/14/66/1409961466.db2.gz VQCGEVWDGYDSED-MOPGFXCFSA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000079170458 1409961681 /nfs/dbraw/zinc/96/16/81/1409961681.db2.gz JUJFOFMUBAZLIA-NQIIRXRSSA-N 2 0 384.568 3.202 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079224241 1409963251 /nfs/dbraw/zinc/96/32/51/1409963251.db2.gz WLDJTNOOUVRZKL-ROUUACIJSA-N 2 0 376.570 3.155 20 0 GGADRP CC[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079256952 1409963311 /nfs/dbraw/zinc/96/33/11/1409963311.db2.gz PAAHGOOYIYTLNS-FGZHOGPDSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000079227915 1409964405 /nfs/dbraw/zinc/96/44/05/1409964405.db2.gz YRDRGZRPOGBMQP-PXNSSMCTSA-N 2 0 378.536 3.240 20 0 GGADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000079309570 1409968114 /nfs/dbraw/zinc/96/81/14/1409968114.db2.gz QCGUNWHEIJZREE-ROUUACIJSA-N 2 0 390.547 3.019 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000079592507 1409982703 /nfs/dbraw/zinc/98/27/03/1409982703.db2.gz DSSREYJCYRRWJN-UHFFFAOYSA-N 2 0 378.536 3.019 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000079620866 1409983935 /nfs/dbraw/zinc/98/39/35/1409983935.db2.gz HIFKAEAVIPGEPP-IBGZPJMESA-N 2 0 386.584 3.195 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000079627286 1409984055 /nfs/dbraw/zinc/98/40/55/1409984055.db2.gz KWRJGWSILIBWRY-QFIPXVFZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079689976 1409986742 /nfs/dbraw/zinc/98/67/42/1409986742.db2.gz MUSUBCLBHSBHII-FQEVSTJZSA-N 2 0 386.584 3.115 20 0 GGADRP CC(C)(C)c1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000079920742 1409992333 /nfs/dbraw/zinc/99/23/33/1409992333.db2.gz ARMSVRHXXQFMFT-UHFFFAOYSA-N 2 0 383.584 3.395 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000079941974 1409994310 /nfs/dbraw/zinc/99/43/10/1409994310.db2.gz WYTWDTKUTSEEHN-GOSISDBHSA-N 2 0 380.602 3.408 20 0 GGADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000080051985 1409997807 /nfs/dbraw/zinc/99/78/07/1409997807.db2.gz UWOZLHIQYAFQGN-UHFFFAOYSA-N 2 0 378.536 3.019 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080164729 1410001790 /nfs/dbraw/zinc/00/17/90/1410001790.db2.gz JUFRSZWTPYNDDX-KNQAVFIVSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080164725 1410002293 /nfs/dbraw/zinc/00/22/93/1410002293.db2.gz JUFRSZWTPYNDDX-SIKLNZKXSA-N 2 0 386.584 3.413 20 0 GGADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000080204808 1410003538 /nfs/dbraw/zinc/00/35/38/1410003538.db2.gz DAUJQAORAUTHDB-XVAXZDLZSA-N 2 0 376.589 3.443 20 0 GGADRP CCCOc1cccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000080373719 1410004730 /nfs/dbraw/zinc/00/47/30/1410004730.db2.gz UYEHFGCGIWGYER-UHFFFAOYSA-N 2 0 375.557 3.192 20 0 GGADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000080373750 1410005127 /nfs/dbraw/zinc/00/51/27/1410005127.db2.gz LTQKNTSUCBOTAE-UHFFFAOYSA-N 2 0 375.557 3.192 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000080645679 1410008938 /nfs/dbraw/zinc/00/89/38/1410008938.db2.gz SUUHKEKPJNSDMB-RBUKOAKNSA-N 2 0 375.557 3.075 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000080664483 1410009774 /nfs/dbraw/zinc/00/97/74/1410009774.db2.gz RAGHHZSJMUFBDP-IRLDBZIGSA-N 2 0 384.568 3.197 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631918 1410022801 /nfs/dbraw/zinc/02/28/01/1410022801.db2.gz FOVYGMDFBHKPDO-MRXNPFEDSA-N 2 0 379.932 3.341 20 0 GGADRP CC[NH+](CC)CCS[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000083092929 1410026678 /nfs/dbraw/zinc/02/66/78/1410026678.db2.gz MNZPRKRSJFIQFX-SFHVURJKSA-N 2 0 377.598 3.231 20 0 GGADRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000083033203 1410026975 /nfs/dbraw/zinc/02/69/75/1410026975.db2.gz BLUQUADMDFMKDC-TZIWHRDSSA-N 2 0 378.520 3.327 20 0 GGADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000083033206 1410027309 /nfs/dbraw/zinc/02/73/09/1410027309.db2.gz BLUQUADMDFMKDC-PZJWPPBQSA-N 2 0 378.520 3.327 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)CC1 ZINC000083173879 1410028192 /nfs/dbraw/zinc/02/81/92/1410028192.db2.gz AFJIEFBXHIALBG-QGZVFWFLSA-N 2 0 376.520 3.180 20 0 GGADRP c1[nH]nc2c1cccc2C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000084015898 1410033790 /nfs/dbraw/zinc/03/37/90/1410033790.db2.gz OILZYJOECYUBPV-UHFFFAOYSA-N 2 0 377.536 3.251 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394129 1410040283 /nfs/dbraw/zinc/04/02/83/1410040283.db2.gz GKHAPDNBVSOANC-ILWGZMRPSA-N 2 0 386.584 3.441 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000085456472 1410042808 /nfs/dbraw/zinc/04/28/08/1410042808.db2.gz GIKAVQORIAVDKK-RTBURBONSA-N 2 0 375.557 3.148 20 0 GGADRP COC(=O)N1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000089152709 1410052641 /nfs/dbraw/zinc/05/26/41/1410052641.db2.gz PICGYGPHVNACJB-UHFFFAOYSA-N 2 0 379.932 3.372 20 0 GGADRP C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000089555416 1410054933 /nfs/dbraw/zinc/05/49/33/1410054933.db2.gz JEZQVHCXPHIAMD-KRWDZBQOSA-N 2 0 381.586 3.148 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000090038619 1410061337 /nfs/dbraw/zinc/06/13/37/1410061337.db2.gz UWPHWLQKFLWNDP-HXUWFJFHSA-N 2 0 375.463 3.497 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000090234072 1410063524 /nfs/dbraw/zinc/06/35/24/1410063524.db2.gz LWLNBCJXNNEANW-LQWHRVPQSA-N 2 0 375.557 3.363 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090234234 1410063884 /nfs/dbraw/zinc/06/38/84/1410063884.db2.gz RKRIUWUNYRGNGY-MSOLQXFVSA-N 2 0 375.557 3.363 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000090234213 1410064370 /nfs/dbraw/zinc/06/43/70/1410064370.db2.gz QPBVDSQNBNTYHM-RYLXDESZSA-N 2 0 375.557 3.361 20 0 GGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525614 1410064408 /nfs/dbraw/zinc/06/44/08/1410064408.db2.gz UIZHQDBFPNUYRZ-ZEQRLZLVSA-N 2 0 385.596 3.051 20 0 GGADRP O[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525610 1410064557 /nfs/dbraw/zinc/06/45/57/1410064557.db2.gz UIZHQDBFPNUYRZ-RPWUZVMVSA-N 2 0 385.596 3.051 20 0 GGADRP C[C@H]1C[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090937362 1410067833 /nfs/dbraw/zinc/06/78/33/1410067833.db2.gz GNIZOYZVMUNLIP-UGKGYDQZSA-N 2 0 382.552 3.165 20 0 GGADRP C[C@@H]1C[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000090937361 1410067954 /nfs/dbraw/zinc/06/79/54/1410067954.db2.gz GNIZOYZVMUNLIP-KNQAVFIVSA-N 2 0 382.552 3.165 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)N1CC[NH+](C)CC1 ZINC000091283345 1410072305 /nfs/dbraw/zinc/07/23/05/1410072305.db2.gz RRKMZQQHAQPHEJ-KXBFYZLASA-N 2 0 377.964 3.149 20 0 GGADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)C1 ZINC000091949131 1410094445 /nfs/dbraw/zinc/09/44/45/1410094445.db2.gz FDAZULPOCGXOKB-LJQANCHMSA-N 2 0 387.568 3.098 20 0 GGADRP CC1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)CC1 ZINC000092144580 1410111747 /nfs/dbraw/zinc/11/17/47/1410111747.db2.gz WYGHGZKAFANTRP-UHFFFAOYSA-N 2 0 387.568 3.098 20 0 GGADRP COc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000092393843 1410149639 /nfs/dbraw/zinc/14/96/39/1410149639.db2.gz HVVDKYBJYAEJBO-UHFFFAOYSA-N 2 0 375.900 3.096 20 0 GGADRP CC(C)CCn1cccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427244 1410157014 /nfs/dbraw/zinc/15/70/14/1410157014.db2.gz PGPKKLBRPKMRMA-UHFFFAOYSA-N 2 0 390.616 3.450 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484635 1410161043 /nfs/dbraw/zinc/16/10/43/1410161043.db2.gz ATRBQAVTTYTWNI-UHFFFAOYSA-N 2 0 387.549 3.083 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCCN(c2nccs2)CC1)C1CC[NH+](C)CC1 ZINC000092482769 1410161234 /nfs/dbraw/zinc/16/12/34/1410161234.db2.gz GJMIUNWIWDFLRS-UHFFFAOYSA-N 2 0 399.608 3.386 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000092513088 1410165799 /nfs/dbraw/zinc/16/57/99/1410165799.db2.gz JMCOQSBYZMHCBM-IBGZPJMESA-N 2 0 391.556 3.364 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000092564488 1410173408 /nfs/dbraw/zinc/17/34/08/1410173408.db2.gz IBFPYIMHYOSNPO-UHFFFAOYSA-N 2 0 379.589 3.035 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000092567405 1410174484 /nfs/dbraw/zinc/17/44/84/1410174484.db2.gz AOINOOIKCQJOHX-OTGCGEFBSA-N 2 0 380.573 3.244 20 0 GGADRP COCCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587497 1410176379 /nfs/dbraw/zinc/17/63/79/1410176379.db2.gz FVNQOCARFNXQAM-OALUTQOASA-N 2 0 376.541 3.033 20 0 GGADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000092587544 1410177063 /nfs/dbraw/zinc/17/70/63/1410177063.db2.gz MOECTDQLYZLDDQ-QZTJIDSGSA-N 2 0 376.541 3.415 20 0 GGADRP CCN(CC)c1ncc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092586987 1410177169 /nfs/dbraw/zinc/17/71/69/1410177169.db2.gz VDLRUELQZNTJQM-IRXDYDNUSA-N 2 0 380.602 3.311 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000092615791 1410180068 /nfs/dbraw/zinc/18/00/68/1410180068.db2.gz QXDDWFUTPRHJFT-UHFFFAOYSA-N 2 0 389.487 3.188 20 0 GGADRP CC(C)CCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615779 1410180419 /nfs/dbraw/zinc/18/04/19/1410180419.db2.gz UZZMEESHZDWZMX-UHFFFAOYSA-N 2 0 375.557 3.001 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000092821370 1410204423 /nfs/dbraw/zinc/20/44/23/1410204423.db2.gz CAKZBNQYYXQGQK-JOCHJYFZSA-N 2 0 378.520 3.425 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Oc4cccnc4)c(C)c3)C2)CC1 ZINC000093133106 1410223172 /nfs/dbraw/zinc/22/31/72/1410223172.db2.gz FDWYTKLUZCJUDR-OAQYLSRUSA-N 2 0 380.536 3.394 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(OCCC(C)C)c3)C2)CC1 ZINC000093133101 1410223282 /nfs/dbraw/zinc/22/32/82/1410223282.db2.gz DQCNUHFRKMLVLG-NRFANRHFSA-N 2 0 389.584 3.332 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134538 1410224820 /nfs/dbraw/zinc/22/48/20/1410224820.db2.gz SMMRMQFDCLIRQJ-FQEVSTJZSA-N 2 0 395.551 3.079 20 0 GGADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093281038 1410230155 /nfs/dbraw/zinc/23/01/55/1410230155.db2.gz UXORWSCXYIHZOH-LJQANCHMSA-N 2 0 375.557 3.001 20 0 GGADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734968 1410261778 /nfs/dbraw/zinc/26/17/78/1410261778.db2.gz RQAXJRDTNJYUON-UHFFFAOYSA-N 2 0 390.478 3.432 20 0 GGADRP CCOc1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)nn1CC(C)C ZINC000093734904 1410261924 /nfs/dbraw/zinc/26/19/24/1410261924.db2.gz OMMFJVXGSMXDED-UHFFFAOYSA-N 2 0 392.588 3.323 20 0 GGADRP CN(c1ccccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000093766563 1410264471 /nfs/dbraw/zinc/26/44/71/1410264471.db2.gz TUKJKPZDBPIHKY-FQEVSTJZSA-N 2 0 399.501 3.352 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000093769389 1410265810 /nfs/dbraw/zinc/26/58/10/1410265810.db2.gz ZLSFYKQJXFLSMU-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@@H](C)O1 ZINC000093844405 1410274922 /nfs/dbraw/zinc/27/49/22/1410274922.db2.gz INMDPDDRVKAEIU-QZTJIDSGSA-N 2 0 383.540 3.183 20 0 GGADRP Cc1cc(C)n2c(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cnc2n1 ZINC000093844323 1410275380 /nfs/dbraw/zinc/27/53/80/1410275380.db2.gz LOQMEXAYWLZGNG-RTBURBONSA-N 2 0 385.556 3.057 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1)C1CC[NH+](C)CC1 ZINC000093870322 1410276236 /nfs/dbraw/zinc/27/62/36/1410276236.db2.gz KIPSTPGAKLBXGV-IBGZPJMESA-N 2 0 381.568 3.015 20 0 GGADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000093947963 1410289107 /nfs/dbraw/zinc/28/91/07/1410289107.db2.gz BEGOJDZHCAXXNF-UHFFFAOYSA-N 2 0 397.611 3.405 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(-c2cccs2)n1 ZINC000093948123 1410289227 /nfs/dbraw/zinc/28/92/27/1410289227.db2.gz KXLAUAHLNKJMSU-UHFFFAOYSA-N 2 0 395.576 3.186 20 0 GGADRP C[NH+]1CCN(CCCN2CC[N@@H+](C)CC23CCCCC3)C2(CCCCC2)C1 ZINC000095964082 1410317622 /nfs/dbraw/zinc/31/76/22/1410317622.db2.gz GFZDNFOWCGOGTG-UHFFFAOYSA-N 2 0 376.633 3.277 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000097257190 1410361152 /nfs/dbraw/zinc/36/11/52/1410361152.db2.gz ULSWTHAHDZLNBG-GOSISDBHSA-N 2 0 390.572 3.396 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337196 1410366120 /nfs/dbraw/zinc/36/61/20/1410366120.db2.gz VJONCTFWQRWGNJ-VXKWHMMOSA-N 2 0 380.536 3.426 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000097595289 1410383445 /nfs/dbraw/zinc/38/34/45/1410383445.db2.gz FQUFUZUILHBTPM-UHFFFAOYSA-N 2 0 395.975 3.135 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000098030334 1410397655 /nfs/dbraw/zinc/39/76/55/1410397655.db2.gz CTBOBKKOLOMHEL-ZWKOTPCHSA-N 2 0 376.545 3.006 20 0 GGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000098034293 1410398943 /nfs/dbraw/zinc/39/89/43/1410398943.db2.gz CLRYFYIOGGPCOF-CEXWTWQISA-N 2 0 390.572 3.252 20 0 GGADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000098034295 1410399198 /nfs/dbraw/zinc/39/91/98/1410399198.db2.gz CLRYFYIOGGPCOF-GUDVDZBRSA-N 2 0 390.572 3.252 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173241 1410436273 /nfs/dbraw/zinc/43/62/73/1410436273.db2.gz XAOJRNHQNXUBIO-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173240 1410436427 /nfs/dbraw/zinc/43/64/27/1410436427.db2.gz XAOJRNHQNXUBIO-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+]2CCCC2)o1 ZINC000101621151 1410481850 /nfs/dbraw/zinc/48/18/50/1410481850.db2.gz CDZVCZAUQJGTIJ-KRWDZBQOSA-N 2 0 376.545 3.333 20 0 GGADRP CN(C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccco1 ZINC000101770777 1410500949 /nfs/dbraw/zinc/50/09/49/1410500949.db2.gz FOGAEWKTOCNJPV-NRFANRHFSA-N 2 0 398.551 3.232 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccco2)nc1C ZINC000101868554 1410510985 /nfs/dbraw/zinc/51/09/85/1410510985.db2.gz XPNSHVPRFMEEGC-GOSISDBHSA-N 2 0 384.524 3.138 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000101993436 1410539029 /nfs/dbraw/zinc/53/90/29/1410539029.db2.gz ULYCVFDFVRIYBO-QRVBRYPASA-N 2 0 392.613 3.380 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000101995903 1410540146 /nfs/dbraw/zinc/54/01/46/1410540146.db2.gz UGAITTBPUYHERP-FQEVSTJZSA-N 2 0 390.959 3.185 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+]2CCCC2)o1 ZINC000102037192 1410548861 /nfs/dbraw/zinc/54/88/61/1410548861.db2.gz NYMWNUHVTKTOAL-LJQANCHMSA-N 2 0 376.545 3.098 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422393 1410626354 /nfs/dbraw/zinc/62/63/54/1410626354.db2.gz PXSKUTUZACSXTG-AWEZNQCLSA-N 2 0 384.351 3.385 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000102559529 1410651497 /nfs/dbraw/zinc/65/14/97/1410651497.db2.gz IGJHRHXQDRFTHI-KRWDZBQOSA-N 2 0 377.529 3.133 20 0 GGADRP C[NH+]1CCC(CCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000102640334 1410681419 /nfs/dbraw/zinc/68/14/19/1410681419.db2.gz ISBWVBRXMHDICL-HXUWFJFHSA-N 2 0 397.485 3.289 20 0 GGADRP COc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000102781533 1410751586 /nfs/dbraw/zinc/75/15/86/1410751586.db2.gz FJGQUODPEAPIQV-UHFFFAOYSA-N 2 0 384.520 3.475 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000103125606 1410829791 /nfs/dbraw/zinc/82/97/91/1410829791.db2.gz WURGMSJADLZVDF-HSZRJFAPSA-N 2 0 395.547 3.298 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000103142852 1410831373 /nfs/dbraw/zinc/83/13/73/1410831373.db2.gz UXZIXNXVBNLFED-UHFFFAOYSA-N 2 0 390.531 3.310 20 0 GGADRP Cc1cccn2c(=O)cc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)nc12 ZINC000103143170 1410831406 /nfs/dbraw/zinc/83/14/06/1410831406.db2.gz NSWCKRZRONHMHC-UHFFFAOYSA-N 2 0 390.531 3.347 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103211803 1410837661 /nfs/dbraw/zinc/83/76/61/1410837661.db2.gz FZWLWVKPCPSANX-UHFFFAOYSA-N 2 0 399.379 3.290 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000103303369 1410844576 /nfs/dbraw/zinc/84/45/76/1410844576.db2.gz BCMPZAUDNFKIBC-IBGZPJMESA-N 2 0 386.584 3.450 20 0 GGADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C[NH+]1CCCCC1 ZINC000103308944 1410845619 /nfs/dbraw/zinc/84/56/19/1410845619.db2.gz YDVWHSJITWPYJZ-NHCUHLMSSA-N 2 0 378.605 3.262 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C[NH+]1CCCCC1 ZINC000103308946 1410845758 /nfs/dbraw/zinc/84/57/58/1410845758.db2.gz YDVWHSJITWPYJZ-SFTDATJTSA-N 2 0 378.605 3.262 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103312830 1410846346 /nfs/dbraw/zinc/84/63/46/1410846346.db2.gz ACUMWFCIWCCOOZ-NRFANRHFSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000103481172 1410862505 /nfs/dbraw/zinc/86/25/05/1410862505.db2.gz KVSVRMLAVKMNNZ-IRXDYDNUSA-N 2 0 393.959 3.490 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000103513450 1410865383 /nfs/dbraw/zinc/86/53/83/1410865383.db2.gz JJFRVZXBXOUXEG-JOCHJYFZSA-N 2 0 386.584 3.443 20 0 GGADRP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000104283192 1410890475 /nfs/dbraw/zinc/89/04/75/1410890475.db2.gz YGAFJZLNXXTGSE-OAQYLSRUSA-N 2 0 375.532 3.417 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000104409699 1410894902 /nfs/dbraw/zinc/89/49/02/1410894902.db2.gz MKSZODSLNWKWHG-HXUWFJFHSA-N 2 0 376.520 3.169 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000104771205 1410959544 /nfs/dbraw/zinc/95/95/44/1410959544.db2.gz CXFSJBHUGONRGJ-UHFFFAOYSA-N 2 0 396.535 3.027 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCCC1 ZINC000104793637 1410964205 /nfs/dbraw/zinc/96/42/05/1410964205.db2.gz XTZRTTIRCWCEBI-QGZVFWFLSA-N 2 0 378.586 3.134 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000105082342 1411025662 /nfs/dbraw/zinc/02/56/62/1411025662.db2.gz VBHKUNANVGZEPP-SFHVURJKSA-N 2 0 378.586 3.162 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000105093653 1411027157 /nfs/dbraw/zinc/02/71/57/1411027157.db2.gz MCLARAFISPIOII-SFHVURJKSA-N 2 0 392.975 3.336 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000105112908 1411029723 /nfs/dbraw/zinc/02/97/23/1411029723.db2.gz CELVBEMRYTXMPT-HXUWFJFHSA-N 2 0 386.584 3.450 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105112547 1411030151 /nfs/dbraw/zinc/03/01/51/1411030151.db2.gz BQSNXTVQDJFQAP-FQEVSTJZSA-N 2 0 386.584 3.379 20 0 GGADRP C[NH+]1CCC(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000105123415 1411031443 /nfs/dbraw/zinc/03/14/43/1411031443.db2.gz YUWUOKNYFPLKLY-IBGZPJMESA-N 2 0 378.948 3.118 20 0 GGADRP O=C(NCCCCNc1ccccn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129966 1411032753 /nfs/dbraw/zinc/03/27/53/1411032753.db2.gz WYVKSDWVYRSJGX-HXUWFJFHSA-N 2 0 381.524 3.410 20 0 GGADRP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131814 1411032913 /nfs/dbraw/zinc/03/29/13/1411032913.db2.gz ZBUMRNXIEZQNSE-HNNXBMFYSA-N 2 0 398.498 3.016 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000105161560 1411036526 /nfs/dbraw/zinc/03/65/26/1411036526.db2.gz ZCHZMDQVXVLAMB-IBGZPJMESA-N 2 0 390.547 3.210 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000105161556 1411036593 /nfs/dbraw/zinc/03/65/93/1411036593.db2.gz ZCHZMDQVXVLAMB-LJQANCHMSA-N 2 0 390.547 3.210 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000105166092 1411037442 /nfs/dbraw/zinc/03/74/42/1411037442.db2.gz PDLPORDWBHJLRS-UXHICEINSA-N 2 0 376.520 3.088 20 0 GGADRP CCOc1cc2[nH+]ccc(NC[C@@H](C)N3CC[NH+](CC)CC3)c2cc1OCC ZINC000105340577 1411055974 /nfs/dbraw/zinc/05/59/74/1411055974.db2.gz ZFAMAXRZMYHEDS-QGZVFWFLSA-N 2 0 386.540 3.470 20 0 GGADRP Cc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000105439811 1411066558 /nfs/dbraw/zinc/06/65/58/1411066558.db2.gz JSPWIZHOAXEMGB-LJQANCHMSA-N 2 0 396.579 3.251 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)CN1CC[NH+](C)CC1 ZINC000105438909 1411066970 /nfs/dbraw/zinc/06/69/70/1411066970.db2.gz MIWTWNNJCDQUQC-FQEVSTJZSA-N 2 0 395.595 3.198 20 0 GGADRP CCOc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc(Cl)c1OC ZINC000105451669 1411067689 /nfs/dbraw/zinc/06/76/89/1411067689.db2.gz UGIDAZQDTRFXLC-UHFFFAOYSA-N 2 0 383.964 3.111 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc3ccccn23)CC1 ZINC000105464676 1411068961 /nfs/dbraw/zinc/06/89/61/1411068961.db2.gz WINBTOGMAVPCNQ-QGZVFWFLSA-N 2 0 381.499 3.466 20 0 GGADRP COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000105463057 1411069112 /nfs/dbraw/zinc/06/91/12/1411069112.db2.gz SWBJAWOILOJUOB-MRXNPFEDSA-N 2 0 387.499 3.446 20 0 GGADRP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000105465854 1411069258 /nfs/dbraw/zinc/06/92/58/1411069258.db2.gz RPEXQSVKUVBSOR-QGZVFWFLSA-N 2 0 388.943 3.040 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462886 1411069333 /nfs/dbraw/zinc/06/93/33/1411069333.db2.gz UGCOFSOZZLJGKM-QGZVFWFLSA-N 2 0 394.498 3.009 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000105467414 1411069631 /nfs/dbraw/zinc/06/96/31/1411069631.db2.gz LHUJEHUPTQGWMA-INIZCTEOSA-N 2 0 383.964 3.253 20 0 GGADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000105466607 1411069842 /nfs/dbraw/zinc/06/98/42/1411069842.db2.gz ZTDOLPTZMQDXNZ-AWEZNQCLSA-N 2 0 396.366 3.213 20 0 GGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000105466342 1411070129 /nfs/dbraw/zinc/07/01/29/1411070129.db2.gz MOLGWIMJFPMFJC-KRWDZBQOSA-N 2 0 389.975 3.375 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000105495563 1411071835 /nfs/dbraw/zinc/07/18/35/1411071835.db2.gz JEUHBAVAQPALEE-UHFFFAOYSA-N 2 0 394.494 3.462 20 0 GGADRP Cc1cn2c(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)c(C)nc2s1 ZINC000105495509 1411072108 /nfs/dbraw/zinc/07/21/08/1411072108.db2.gz ZKFBQFSZYPGORT-UHFFFAOYSA-N 2 0 384.549 3.259 20 0 GGADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OC ZINC000105495828 1411072814 /nfs/dbraw/zinc/07/28/14/1411072814.db2.gz UJQJZXYBFGAGDX-UHFFFAOYSA-N 2 0 384.520 3.340 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000106484555 1411223611 /nfs/dbraw/zinc/22/36/11/1411223611.db2.gz DXKUAZIKLVAUHH-MRXNPFEDSA-N 2 0 375.463 3.483 20 0 GGADRP COc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000106486446 1411223828 /nfs/dbraw/zinc/22/38/28/1411223828.db2.gz ZBKYWRXTSUAJFI-QGZVFWFLSA-N 2 0 389.565 3.061 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OCC ZINC000106486421 1411224016 /nfs/dbraw/zinc/22/40/16/1411224016.db2.gz LFVHBVFWXGLPAC-MRXNPFEDSA-N 2 0 383.964 3.253 20 0 GGADRP Cc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000106485242 1411224468 /nfs/dbraw/zinc/22/44/68/1411224468.db2.gz IOCADXOVGWBSHF-FQEVSTJZSA-N 2 0 382.552 3.003 20 0 GGADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000106537796 1411238042 /nfs/dbraw/zinc/23/80/42/1411238042.db2.gz DWXHPOKZZARLDM-FQEVSTJZSA-N 2 0 388.531 3.106 20 0 GGADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[NH+](C)C ZINC000106916254 1411319447 /nfs/dbraw/zinc/31/94/47/1411319447.db2.gz KUYWYHJJGNOCGM-NRFANRHFSA-N 2 0 388.556 3.416 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177026443 1428559354 /nfs/dbraw/zinc/55/93/54/1428559354.db2.gz PZKKCJATWDZVKA-FQEVSTJZSA-N 2 0 375.532 3.229 20 0 GGADRP CC[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000107834162 1411416978 /nfs/dbraw/zinc/41/69/78/1411416978.db2.gz KZQCUAKIOOWRTO-QFIPXVFZSA-N 2 0 386.584 3.435 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000107941203 1411429180 /nfs/dbraw/zinc/42/91/80/1411429180.db2.gz SOGULWBUFWDHFD-UHFFFAOYSA-N 2 0 378.605 3.406 20 0 GGADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000108302668 1411468486 /nfs/dbraw/zinc/46/84/86/1411468486.db2.gz CPMAPMUGXHZWPX-UYAOXDASSA-N 2 0 395.469 3.042 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177052299 1428569838 /nfs/dbraw/zinc/56/98/38/1428569838.db2.gz OVYKSTYOTOPRKD-UHFFFAOYSA-N 2 0 383.467 3.495 20 0 GGADRP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000108394137 1411487670 /nfs/dbraw/zinc/48/76/70/1411487670.db2.gz LTLDMESHNFFYRH-KSEOMHKRSA-N 2 0 387.568 3.047 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cccnc43)c2)C1 ZINC000108420958 1411495138 /nfs/dbraw/zinc/49/51/38/1411495138.db2.gz PPNZRYVODLVIKN-JOCHJYFZSA-N 2 0 388.515 3.222 20 0 GGADRP CCCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420688 1411495551 /nfs/dbraw/zinc/49/55/51/1411495551.db2.gz OHVXMUTZMFGNPY-QFIPXVFZSA-N 2 0 395.547 3.463 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc4ncccc4c3)c2)C1 ZINC000108420845 1411495657 /nfs/dbraw/zinc/49/56/57/1411495657.db2.gz MIBYQGOJBOCFRC-JOCHJYFZSA-N 2 0 388.515 3.222 20 0 GGADRP CCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108421049 1411497456 /nfs/dbraw/zinc/49/74/56/1411497456.db2.gz OJVFOOVUPWQKGS-OAQYLSRUSA-N 2 0 381.520 3.072 20 0 GGADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000108429116 1411498071 /nfs/dbraw/zinc/49/80/71/1411498071.db2.gz VVKJTOSQMNGQFH-HXUWFJFHSA-N 2 0 375.520 3.425 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(F)c3)c2)C1 ZINC000108421070 1411498164 /nfs/dbraw/zinc/49/81/64/1411498164.db2.gz VLXXJTNUVMEAHI-GOSISDBHSA-N 2 0 389.902 3.466 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541053 1411533563 /nfs/dbraw/zinc/53/35/63/1411533563.db2.gz UYVUXMLQNIJLIP-ZWKOTPCHSA-N 2 0 378.586 3.162 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000108551671 1411537274 /nfs/dbraw/zinc/53/72/74/1411537274.db2.gz XDFKEFGJDTUSDQ-AQNXPRMDSA-N 2 0 386.584 3.306 20 0 GGADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C)c1 ZINC000108930327 1411641984 /nfs/dbraw/zinc/64/19/84/1411641984.db2.gz JZIAUWWPMDYUFU-FGZHOGPDSA-N 2 0 381.520 3.079 20 0 GGADRP C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000109363612 1411748825 /nfs/dbraw/zinc/74/88/25/1411748825.db2.gz RHQLPPFGVLBIKH-UHFFFAOYSA-N 2 0 381.520 3.153 20 0 GGADRP C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCC)CC2)c(OC)c1 ZINC000109787856 1411810143 /nfs/dbraw/zinc/81/01/43/1411810143.db2.gz VDBUEFXHNZNCJK-ZEZYUPADSA-N 2 0 376.541 3.274 20 0 GGADRP C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCC)CC2)c(OC)c1 ZINC000109787854 1411810381 /nfs/dbraw/zinc/81/03/81/1411810381.db2.gz VDBUEFXHNZNCJK-CYXJOQHWSA-N 2 0 376.541 3.274 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000109929526 1411818994 /nfs/dbraw/zinc/81/89/94/1411818994.db2.gz LYNINOFHSUVTGP-HSZRJFAPSA-N 2 0 394.563 3.008 20 0 GGADRP CCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110480829 1411852235 /nfs/dbraw/zinc/85/22/35/1411852235.db2.gz UJIIZNDEWJGHLX-HXUWFJFHSA-N 2 0 397.485 3.432 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000110910355 1411876624 /nfs/dbraw/zinc/87/66/24/1411876624.db2.gz GFFFULJLRCOCNU-UHFFFAOYSA-N 2 0 395.547 3.026 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000111102338 1411887298 /nfs/dbraw/zinc/88/72/98/1411887298.db2.gz MHLXDHPEVCKROU-JOCHJYFZSA-N 2 0 399.579 3.050 20 0 GGADRP C[C@@H](C[NH2+]Cc1cccc(OCCCc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000111384105 1411936276 /nfs/dbraw/zinc/93/62/76/1411936276.db2.gz GMVMLFHTHFTBRH-NRFANRHFSA-N 2 0 381.564 3.424 20 0 GGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000111386694 1411938090 /nfs/dbraw/zinc/93/80/90/1411938090.db2.gz KONIHAWTEJJORD-GOSISDBHSA-N 2 0 392.494 3.094 20 0 GGADRP C[N@H+](CCC(=O)Nc1cc(N)ccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000177174393 1428614102 /nfs/dbraw/zinc/61/41/02/1428614102.db2.gz KSHXVXRTMODTAR-SFHVURJKSA-N 2 0 384.499 3.190 20 0 GGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000111881254 1412043422 /nfs/dbraw/zinc/04/34/22/1412043422.db2.gz PXQKPTPYWOCKKA-IBGZPJMESA-N 2 0 389.588 3.055 20 0 GGADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(CC)CC4)C3)c2cc1OCC ZINC000112333124 1412132514 /nfs/dbraw/zinc/13/25/14/1412132514.db2.gz LOGIWWKMPGGQMM-GOSISDBHSA-N 2 0 398.551 3.248 20 0 GGADRP O=C1[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1c1ccccc1F ZINC000112383455 1412136479 /nfs/dbraw/zinc/13/64/79/1412136479.db2.gz WFKZXSKJMUJDJX-NRFANRHFSA-N 2 0 397.494 3.195 20 0 GGADRP C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000112545877 1412166670 /nfs/dbraw/zinc/16/66/70/1412166670.db2.gz MOFNDJJVNAJHTB-XXBNENTESA-N 2 0 379.548 3.495 20 0 GGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000112649027 1412186355 /nfs/dbraw/zinc/18/63/55/1412186355.db2.gz SHLWERSOIKXYKF-ROUUACIJSA-N 2 0 392.975 3.159 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000112714754 1412201722 /nfs/dbraw/zinc/20/17/22/1412201722.db2.gz LRBASLZHKLNZNE-UHFFFAOYSA-N 2 0 384.568 3.489 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000112743980 1412208983 /nfs/dbraw/zinc/20/89/83/1412208983.db2.gz NDGQXAXBYGPZCT-LJQANCHMSA-N 2 0 384.568 3.346 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000112751046 1412210977 /nfs/dbraw/zinc/21/09/77/1412210977.db2.gz DXFBZDNSKSCXSM-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919037 1412240394 /nfs/dbraw/zinc/24/03/94/1412240394.db2.gz SLODLTRWTXJTPL-UHFFFAOYSA-N 2 0 387.593 3.183 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220905 1428638471 /nfs/dbraw/zinc/63/84/71/1428638471.db2.gz BVKDLZYQGIUFLO-QRVBRYPASA-N 2 0 395.613 3.346 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000113364835 1412299312 /nfs/dbraw/zinc/29/93/12/1412299312.db2.gz GFORLYKMEKETON-IBGZPJMESA-N 2 0 387.572 3.133 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000113500854 1412310604 /nfs/dbraw/zinc/31/06/04/1412310604.db2.gz SAPQTSGECSQLCH-SFHVURJKSA-N 2 0 383.458 3.474 20 0 GGADRP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c2ccccc2)cc1 ZINC000113515348 1412310903 /nfs/dbraw/zinc/31/09/03/1412310903.db2.gz WIFRYPABMYXVDI-FGCOXFRFSA-N 2 0 382.548 3.345 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114330400 1412414356 /nfs/dbraw/zinc/41/43/56/1412414356.db2.gz LTHREBLPPSHLFH-UHFFFAOYSA-N 2 0 390.915 3.093 20 0 GGADRP C[C@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000114509635 1412448425 /nfs/dbraw/zinc/44/84/25/1412448425.db2.gz TWWCKLKZJFKPNM-QFIPXVFZSA-N 2 0 390.474 3.437 20 0 GGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C1CC1 ZINC000114595836 1412470709 /nfs/dbraw/zinc/47/07/09/1412470709.db2.gz RORHDVDAQQQLHH-PBHICJAKSA-N 2 0 398.473 3.062 20 0 GGADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C1CC1 ZINC000114595835 1412470832 /nfs/dbraw/zinc/47/08/32/1412470832.db2.gz RORHDVDAQQQLHH-YOEHRIQHSA-N 2 0 398.473 3.062 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604128 1412473114 /nfs/dbraw/zinc/47/31/14/1412473114.db2.gz WPLNQHBZOHTOFG-ZWKOTPCHSA-N 2 0 398.473 3.015 20 0 GGADRP O=C1[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1CC(F)(F)F ZINC000114752640 1412519697 /nfs/dbraw/zinc/51/96/97/1412519697.db2.gz MNZBBKPSLUJKGG-GOSISDBHSA-N 2 0 383.458 3.315 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114781907 1412522856 /nfs/dbraw/zinc/52/28/56/1412522856.db2.gz PTZPUIREIMEVLH-JOCHJYFZSA-N 2 0 380.536 3.212 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000115790478 1412789481 /nfs/dbraw/zinc/78/94/81/1412789481.db2.gz KJAJVPCMJUDMAU-GHTZIAJQSA-N 2 0 390.572 3.061 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806811 1412794532 /nfs/dbraw/zinc/79/45/32/1412794532.db2.gz PEIYDXJBFUYBPF-RBBKRZOGSA-N 2 0 386.584 3.443 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806808 1412794646 /nfs/dbraw/zinc/79/46/46/1412794646.db2.gz PEIYDXJBFUYBPF-UNMCSNQZSA-N 2 0 386.584 3.443 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177299128 1428677364 /nfs/dbraw/zinc/67/73/64/1428677364.db2.gz CQHUNFAEQWMAFF-LJQANCHMSA-N 2 0 386.540 3.085 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2OCC(=O)N(C)C)CC1 ZINC000116368230 1412852890 /nfs/dbraw/zinc/85/28/90/1412852890.db2.gz WGMCEUGDJBLUBP-IBGZPJMESA-N 2 0 395.547 3.469 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385491 1412853696 /nfs/dbraw/zinc/85/36/96/1412853696.db2.gz HNTNYJMNLZCZHU-YKSBVNFPSA-N 2 0 396.579 3.412 20 0 GGADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)(C)C ZINC000116420174 1412857108 /nfs/dbraw/zinc/85/71/08/1412857108.db2.gz KEQSIIYMPNGSCN-HXUWFJFHSA-N 2 0 392.563 3.456 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000116440903 1412861016 /nfs/dbraw/zinc/86/10/16/1412861016.db2.gz NUWHAOOFAJQMGH-NRFANRHFSA-N 2 0 383.511 3.416 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000116449626 1412861948 /nfs/dbraw/zinc/86/19/48/1412861948.db2.gz JJJQJQDLCBJYLX-SVFBPWRDSA-N 2 0 386.584 3.166 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116535877 1412873836 /nfs/dbraw/zinc/87/38/36/1412873836.db2.gz NVYPSRFKXOTYGO-GOSISDBHSA-N 2 0 375.582 3.230 20 0 GGADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116576118 1412880427 /nfs/dbraw/zinc/88/04/27/1412880427.db2.gz VVRQHAHUARLWCH-CEXWTWQISA-N 2 0 389.609 3.332 20 0 GGADRP COc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318297 1428685796 /nfs/dbraw/zinc/68/57/96/1428685796.db2.gz ZISMVNXFCKHMOM-UTKZUKDTSA-N 2 0 381.520 3.243 20 0 GGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177331021 1428693750 /nfs/dbraw/zinc/69/37/50/1428693750.db2.gz IXUDHIHUSKDALY-GOSISDBHSA-N 2 0 381.586 3.244 20 0 GGADRP COc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000177351256 1428701873 /nfs/dbraw/zinc/70/18/73/1428701873.db2.gz HWDBQESTTVUASQ-SFHVURJKSA-N 2 0 381.520 3.372 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(OCc2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC000177376514 1428709897 /nfs/dbraw/zinc/70/98/97/1428709897.db2.gz TZBFGMMTCXOCSQ-UHFFFAOYSA-N 2 0 382.552 3.118 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000118756431 1413215331 /nfs/dbraw/zinc/21/53/31/1413215331.db2.gz PZFXBLZBJCCRRL-SFHVURJKSA-N 2 0 379.504 3.397 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000118775414 1413218306 /nfs/dbraw/zinc/21/83/06/1413218306.db2.gz MXWSLUSTPHOUDZ-UHFFFAOYSA-N 2 0 399.579 3.111 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccsc1 ZINC000118771731 1413218428 /nfs/dbraw/zinc/21/84/28/1413218428.db2.gz YJLOQBIZGPSRID-LJQANCHMSA-N 2 0 393.597 3.282 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118798827 1413222986 /nfs/dbraw/zinc/22/29/86/1413222986.db2.gz DGICAEGJGGALMS-GOSISDBHSA-N 2 0 376.545 3.213 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000118834646 1413238183 /nfs/dbraw/zinc/23/81/83/1413238183.db2.gz XQMVFDPQOXZDMG-HSZRJFAPSA-N 2 0 392.547 3.151 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841296 1413241686 /nfs/dbraw/zinc/24/16/86/1413241686.db2.gz WVEDFAOCVIGKNZ-LJQANCHMSA-N 2 0 383.540 3.091 20 0 GGADRP C[NH+](C)CCN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCC1 ZINC000119074961 1413326858 /nfs/dbraw/zinc/32/68/58/1413326858.db2.gz HDUDWMZXBVTWJF-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C[NH+](C)C ZINC000119424018 1413443059 /nfs/dbraw/zinc/44/30/59/1413443059.db2.gz KJQIWPJSARIZHE-SJORKVTESA-N 2 0 380.602 3.236 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000119472201 1413458994 /nfs/dbraw/zinc/45/89/94/1413458994.db2.gz CMDZXNFYTVEYGC-NHCUHLMSSA-N 2 0 381.520 3.429 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nn(Cc4ccc(C)cc4)c3C)C2)CC1 ZINC000119591400 1413496575 /nfs/dbraw/zinc/49/65/75/1413496575.db2.gz PCERCJKLWRIXKC-QHCPKHFHSA-N 2 0 395.595 3.068 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nn(Cc4ccc(C)cc4)c3C)C2)CC1 ZINC000119591250 1413496605 /nfs/dbraw/zinc/49/66/05/1413496605.db2.gz PCERCJKLWRIXKC-HSZRJFAPSA-N 2 0 395.595 3.068 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC000119644534 1413513424 /nfs/dbraw/zinc/51/34/24/1413513424.db2.gz UCTUDIHMGFRUEV-HXUWFJFHSA-N 2 0 384.499 3.385 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000119740289 1413551410 /nfs/dbraw/zinc/55/14/10/1413551410.db2.gz UWUWRMBWDCRDGK-UHFFFAOYSA-N 2 0 380.492 3.316 20 0 GGADRP [NH3+][C@@H](CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000119763046 1413559316 /nfs/dbraw/zinc/55/93/16/1413559316.db2.gz UQEXSMUHBHZADA-QHCPKHFHSA-N 2 0 395.547 3.264 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000119791014 1413570869 /nfs/dbraw/zinc/57/08/69/1413570869.db2.gz IYYDGLNRDOCKEE-UHFFFAOYSA-N 2 0 382.599 3.122 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1SC(F)(F)F ZINC000119923034 1413618958 /nfs/dbraw/zinc/61/89/58/1413618958.db2.gz FYBLQESMCCSADT-UHFFFAOYSA-N 2 0 378.464 3.256 20 0 GGADRP Cc1csc(-c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)n1 ZINC000120041015 1413664704 /nfs/dbraw/zinc/66/47/04/1413664704.db2.gz KPBKAEZPJIAYTO-UHFFFAOYSA-N 2 0 375.542 3.076 20 0 GGADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120301314 1413774481 /nfs/dbraw/zinc/77/44/81/1413774481.db2.gz JTMWAGJYAOHYEP-RBBKRZOGSA-N 2 0 393.616 3.286 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)CC1 ZINC000120314761 1413781339 /nfs/dbraw/zinc/78/13/39/1413781339.db2.gz DPPKOBIHTGKXIZ-UHFFFAOYSA-N 2 0 383.496 3.022 20 0 GGADRP CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120321920 1413784925 /nfs/dbraw/zinc/78/49/25/1413784925.db2.gz VLHWQFVNZVGVEY-UHFFFAOYSA-N 2 0 397.951 3.036 20 0 GGADRP Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000120436797 1413817327 /nfs/dbraw/zinc/81/73/27/1413817327.db2.gz RNWZKMJGAJSIHO-GOSISDBHSA-N 2 0 389.565 3.076 20 0 GGADRP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000120625841 1413858881 /nfs/dbraw/zinc/85/88/81/1413858881.db2.gz WJVULYCIXDEHGP-GBXCKJPGSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000120626014 1413858899 /nfs/dbraw/zinc/85/88/99/1413858899.db2.gz WJVULYCIXDEHGP-HYBUGGRVSA-N 2 0 397.563 3.351 20 0 GGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000120651592 1413866408 /nfs/dbraw/zinc/86/64/08/1413866408.db2.gz IQICZQLWHGKWDB-RUZDIDTESA-N 2 0 393.575 3.050 20 0 GGADRP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[NH+]1CCCCC1 ZINC000120722078 1413885129 /nfs/dbraw/zinc/88/51/29/1413885129.db2.gz FJXJGMXPLIMJBU-QFIPXVFZSA-N 2 0 387.568 3.340 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000120802045 1413906994 /nfs/dbraw/zinc/90/69/94/1413906994.db2.gz HHNPMFHWONWHOI-IAGOWNOFSA-N 2 0 389.975 3.368 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000120805655 1413908609 /nfs/dbraw/zinc/90/86/09/1413908609.db2.gz UXNKGGULTDLDCP-AZUAARDMSA-N 2 0 383.584 3.332 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000120997183 1413972339 /nfs/dbraw/zinc/97/23/39/1413972339.db2.gz FMINNLGTLCMKRQ-UHFFFAOYSA-N 2 0 393.535 3.405 20 0 GGADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000121108753 1414010286 /nfs/dbraw/zinc/01/02/86/1414010286.db2.gz GMCSJVIFXMGKAX-UHFFFAOYSA-N 2 0 395.551 3.074 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121108736 1414010608 /nfs/dbraw/zinc/01/06/08/1414010608.db2.gz LQEDFDYMVNKBBO-DLBZAZTESA-N 2 0 377.529 3.133 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109978 1414011321 /nfs/dbraw/zinc/01/13/21/1414011321.db2.gz CGBZBNXGCONCCI-DLBZAZTESA-N 2 0 377.529 3.133 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000121123522 1414015796 /nfs/dbraw/zinc/01/57/96/1414015796.db2.gz BJLFUMFJKBAGJV-OAHLLOKOSA-N 2 0 384.515 3.014 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121219610 1414048115 /nfs/dbraw/zinc/04/81/15/1414048115.db2.gz CPIMOPPGYCCBMB-AZUAARDMSA-N 2 0 389.588 3.054 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000121272902 1414067300 /nfs/dbraw/zinc/06/73/00/1414067300.db2.gz PKKLYIVIOZLJBG-SJORKVTESA-N 2 0 387.597 3.438 20 0 GGADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000121508896 1414155409 /nfs/dbraw/zinc/15/54/09/1414155409.db2.gz NDAXHANYGQAGMN-QFIPXVFZSA-N 2 0 380.532 3.299 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000121631303 1414206754 /nfs/dbraw/zinc/20/67/54/1414206754.db2.gz UAZYLOLXYHBXCO-UHFFFAOYSA-N 2 0 394.563 3.447 20 0 GGADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121660837 1414215375 /nfs/dbraw/zinc/21/53/75/1414215375.db2.gz IWEVENOYJVRXSH-BDTNDASRSA-N 2 0 388.552 3.081 20 0 GGADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121668790 1414217482 /nfs/dbraw/zinc/21/74/82/1414217482.db2.gz AHZUMSWLOAWBRN-QFIPXVFZSA-N 2 0 387.568 3.413 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000121704326 1414230163 /nfs/dbraw/zinc/23/01/63/1414230163.db2.gz OOZUXNJCHONJRC-NRFANRHFSA-N 2 0 385.552 3.214 20 0 GGADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177557088 1428792492 /nfs/dbraw/zinc/79/24/92/1428792492.db2.gz MDVYGLQWUDTHGK-FQEVSTJZSA-N 2 0 376.589 3.347 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000121824150 1414270373 /nfs/dbraw/zinc/27/03/73/1414270373.db2.gz TUYROLFIVBQPSI-OALUTQOASA-N 2 0 386.584 3.315 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121826282 1414270388 /nfs/dbraw/zinc/27/03/88/1414270388.db2.gz AQEPNOXGBZKVOV-SFHLNBCPSA-N 2 0 386.584 3.126 20 0 GGADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000121857275 1414280317 /nfs/dbraw/zinc/28/03/17/1414280317.db2.gz ASSLMVTZQSLYHY-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP CN(c1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000177572249 1428799039 /nfs/dbraw/zinc/79/90/39/1428799039.db2.gz QHLJHOURFOSVJD-UHFFFAOYSA-N 2 0 398.517 3.333 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000122043854 1414347425 /nfs/dbraw/zinc/34/74/25/1414347425.db2.gz QHSFBHSYRPCMSC-UHFFFAOYSA-N 2 0 375.557 3.312 20 0 GGADRP CC[NH+](CC)CCSCC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000122050278 1414349301 /nfs/dbraw/zinc/34/93/01/1414349301.db2.gz ANYAEELMUIOVFK-RTBURBONSA-N 2 0 391.625 3.334 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000122137611 1414370657 /nfs/dbraw/zinc/37/06/57/1414370657.db2.gz UPZZKGLOWUJLOO-IBGZPJMESA-N 2 0 375.557 3.392 20 0 GGADRP CN(c1ccccc1C[NH2+]CCc1ccc2c(c1)CCO2)C1CC[NH+](C)CC1 ZINC000177582438 1428802642 /nfs/dbraw/zinc/80/26/42/1428802642.db2.gz KAKFLVOOHHVSDA-UHFFFAOYSA-N 2 0 379.548 3.484 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1COC ZINC000122141292 1414372483 /nfs/dbraw/zinc/37/24/83/1414372483.db2.gz PAXYBIIEDUZERX-MRXNPFEDSA-N 2 0 396.963 3.366 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000122162979 1414377001 /nfs/dbraw/zinc/37/70/01/1414377001.db2.gz VLKATONIOFRQSZ-HSALFYBXSA-N 2 0 381.605 3.235 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000122163170 1414377144 /nfs/dbraw/zinc/37/71/44/1414377144.db2.gz VLKATONIOFRQSZ-SLFFLAALSA-N 2 0 381.605 3.235 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122253085 1414402129 /nfs/dbraw/zinc/40/21/29/1414402129.db2.gz PXZFTFXGSICZHR-ZWKOTPCHSA-N 2 0 377.529 3.162 20 0 GGADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000122262266 1414404865 /nfs/dbraw/zinc/40/48/65/1414404865.db2.gz ZYRHZLSYIXWQFX-QGZVFWFLSA-N 2 0 392.590 3.412 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122392912 1414444908 /nfs/dbraw/zinc/44/49/08/1414444908.db2.gz XEZFJNLHQLMZRY-KNQAVFIVSA-N 2 0 382.552 3.022 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177606418 1428809021 /nfs/dbraw/zinc/80/90/21/1428809021.db2.gz RRRWAPLEFUODPQ-SFHVURJKSA-N 2 0 395.613 3.346 20 0 GGADRP C[NH+](C)CCN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000122517603 1414488155 /nfs/dbraw/zinc/48/81/55/1414488155.db2.gz IJQARZZCFAKKRM-UHFFFAOYSA-N 2 0 392.613 3.476 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000122724771 1414549295 /nfs/dbraw/zinc/54/92/95/1414549295.db2.gz LYQIZKASGNCATR-IRXDYDNUSA-N 2 0 377.529 3.275 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000122726227 1414550306 /nfs/dbraw/zinc/55/03/06/1414550306.db2.gz ZINFFJCJXCLEMC-IRXDYDNUSA-N 2 0 377.529 3.275 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122808062 1414569757 /nfs/dbraw/zinc/56/97/57/1414569757.db2.gz DOSXJKIPSMNZDW-YKSBVNFPSA-N 2 0 378.564 3.330 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122808292 1414569862 /nfs/dbraw/zinc/56/98/62/1414569862.db2.gz DOSXJKIPSMNZDW-RDPSFJRHSA-N 2 0 378.564 3.330 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000122815703 1414572000 /nfs/dbraw/zinc/57/20/00/1414572000.db2.gz MBYKHLLMAZSFGO-MJGOQNOKSA-N 2 0 376.541 3.420 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000122850775 1414580454 /nfs/dbraw/zinc/58/04/54/1414580454.db2.gz WPGQLJKICNMZMK-QFIPXVFZSA-N 2 0 398.551 3.498 20 0 GGADRP CN(c1ccccc1C[NH2+]Cc1ccnc(-n2cccn2)c1)C1CC[NH+](C)CC1 ZINC000123094168 1414639873 /nfs/dbraw/zinc/63/98/73/1414639873.db2.gz RMSAHDURWXQQNN-UHFFFAOYSA-N 2 0 390.535 3.088 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000123106257 1414642964 /nfs/dbraw/zinc/64/29/64/1414642964.db2.gz YUCUATOCPGAQTN-KRWDZBQOSA-N 2 0 398.517 3.191 20 0 GGADRP COc1cc(OC)c(NC(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC000123242292 1414676552 /nfs/dbraw/zinc/67/65/52/1414676552.db2.gz WOQKZOUFMHKDBR-UHFFFAOYSA-N 2 0 397.947 3.350 20 0 GGADRP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123450758 1414736179 /nfs/dbraw/zinc/73/61/79/1414736179.db2.gz MENPKIZHUCHLRJ-UHFFFAOYSA-N 2 0 383.939 3.491 20 0 GGADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123477907 1414745396 /nfs/dbraw/zinc/74/53/96/1414745396.db2.gz QOQXSCNAXZAJPE-QGZVFWFLSA-N 2 0 389.540 3.229 20 0 GGADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000123481384 1414748047 /nfs/dbraw/zinc/74/80/47/1414748047.db2.gz IMZDMBMRHKSNAM-CALCHBBNSA-N 2 0 387.524 3.114 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC3 ZINC000123522154 1414762043 /nfs/dbraw/zinc/76/20/43/1414762043.db2.gz OPBIIOXTLDSXHG-KRWDZBQOSA-N 2 0 394.519 3.159 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000123560693 1414774930 /nfs/dbraw/zinc/77/49/30/1414774930.db2.gz PIRIZPRXZWNWAP-SFHVURJKSA-N 2 0 388.474 3.499 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123670925 1414806766 /nfs/dbraw/zinc/80/67/66/1414806766.db2.gz YXBUOFKUOANXEM-INIZCTEOSA-N 2 0 375.538 3.361 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123741176 1414818295 /nfs/dbraw/zinc/81/82/95/1414818295.db2.gz IXKRDIQKOGWCSO-MZYLBHOOSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123753020 1414820179 /nfs/dbraw/zinc/82/01/79/1414820179.db2.gz HIJZLTOSYBPHSH-WIYYLYMNSA-N 2 0 387.568 3.459 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000123809374 1414827673 /nfs/dbraw/zinc/82/76/73/1414827673.db2.gz BTHGHZLZGIBUKO-WIYYLYMNSA-N 2 0 387.568 3.459 20 0 GGADRP COc1ccc2cc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2c1 ZINC000123861886 1414837262 /nfs/dbraw/zinc/83/72/62/1414837262.db2.gz HMBGKWRJTNYOQZ-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc12 ZINC000123879861 1414841157 /nfs/dbraw/zinc/84/11/57/1414841157.db2.gz MAUBSXHGHIRDPU-UHFFFAOYSA-N 2 0 391.515 3.430 20 0 GGADRP C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000124004825 1414867553 /nfs/dbraw/zinc/86/75/53/1414867553.db2.gz NWIPYOVXDMKQOP-XLIONFOSSA-N 2 0 381.520 3.363 20 0 GGADRP CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000124208563 1414908342 /nfs/dbraw/zinc/90/83/42/1414908342.db2.gz HKKUEAGZJWWIJB-GOSISDBHSA-N 2 0 394.633 3.212 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177749871 1428849389 /nfs/dbraw/zinc/84/93/89/1428849389.db2.gz JWWCRKAAXZSSJL-ROUUACIJSA-N 2 0 383.577 3.113 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)C3(c4cccc(F)c4)CCCC3)CC2)CC1 ZINC000124377008 1414952297 /nfs/dbraw/zinc/95/22/97/1414952297.db2.gz AFCLXYSINLSRJU-UHFFFAOYSA-N 2 0 387.543 3.312 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000124385098 1414954250 /nfs/dbraw/zinc/95/42/50/1414954250.db2.gz XPWCPJYVVPTDPK-KRWDZBQOSA-N 2 0 387.547 3.244 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000124384875 1414954282 /nfs/dbraw/zinc/95/42/82/1414954282.db2.gz XPWCPJYVVPTDPK-QGZVFWFLSA-N 2 0 387.547 3.244 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509765 1414984197 /nfs/dbraw/zinc/98/41/97/1414984197.db2.gz POVRNDNDWKDZKW-OAQYLSRUSA-N 2 0 386.584 3.067 20 0 GGADRP COc1cc(OC)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1Cl ZINC000124509853 1414984404 /nfs/dbraw/zinc/98/44/04/1414984404.db2.gz QOEZVXPBIVEBND-HNNXBMFYSA-N 2 0 383.964 3.281 20 0 GGADRP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000177773006 1428855167 /nfs/dbraw/zinc/85/51/67/1428855167.db2.gz YNWLKNIOMMSZBN-VQTJNVASSA-N 2 0 396.620 3.172 20 0 GGADRP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000177772985 1428855180 /nfs/dbraw/zinc/85/51/80/1428855180.db2.gz YNWLKNIOMMSZBN-PMACEKPBSA-N 2 0 396.620 3.172 20 0 GGADRP COc1ccc2oc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)cc2c1 ZINC000124864767 1415062372 /nfs/dbraw/zinc/06/23/72/1415062372.db2.gz DOSOTVXSPZRYNW-UHFFFAOYSA-N 2 0 381.476 3.023 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000124912467 1415071174 /nfs/dbraw/zinc/07/11/74/1415071174.db2.gz GPTRVFFGKZYZNI-CTNGQTDRSA-N 2 0 376.589 3.157 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000125039722 1415097456 /nfs/dbraw/zinc/09/74/56/1415097456.db2.gz FFQKPQVHERDUIB-UHFFFAOYSA-N 2 0 397.611 3.346 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cn2)CC1 ZINC000177827128 1428866191 /nfs/dbraw/zinc/86/61/91/1428866191.db2.gz JGGLUODARMMYMK-HXUWFJFHSA-N 2 0 378.520 3.370 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000125308292 1415159140 /nfs/dbraw/zinc/15/91/40/1415159140.db2.gz AFYKXTMFPWSPCX-UHFFFAOYSA-N 2 0 387.572 3.024 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000125325457 1415164758 /nfs/dbraw/zinc/16/47/58/1415164758.db2.gz JWSWUHUNQOSAPX-UHFFFAOYSA-N 3 0 384.612 3.361 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000125330236 1415166369 /nfs/dbraw/zinc/16/63/69/1415166369.db2.gz CLNLEKICHXDMJU-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000177846027 1428871234 /nfs/dbraw/zinc/87/12/34/1428871234.db2.gz DURNOPVAKPINTO-GOSISDBHSA-N 2 0 392.975 3.288 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000177849287 1428872296 /nfs/dbraw/zinc/87/22/96/1428872296.db2.gz ZFDURNYTEARICR-UGKGYDQZSA-N 2 0 386.584 3.402 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000125394542 1415186419 /nfs/dbraw/zinc/18/64/19/1415186419.db2.gz VIXJRZAMUGFTLJ-ZDUSSCGKSA-N 2 0 390.496 3.074 20 0 GGADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000125442669 1415199979 /nfs/dbraw/zinc/19/99/79/1415199979.db2.gz AKMCSSIYVJFGML-SFHVURJKSA-N 2 0 393.597 3.244 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(-n2cnnn2)c1 ZINC000125445778 1415201166 /nfs/dbraw/zinc/20/11/66/1415201166.db2.gz DELODNNEEZQLAD-MRXNPFEDSA-N 2 0 382.537 3.287 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125516277 1415218786 /nfs/dbraw/zinc/21/87/86/1415218786.db2.gz RUIWJLCGUNDELW-MRXNPFEDSA-N 2 0 382.537 3.287 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000125616998 1415238826 /nfs/dbraw/zinc/23/88/26/1415238826.db2.gz HNCCNWRODOZFEI-JOCHJYFZSA-N 2 0 398.551 3.498 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125658563 1415247983 /nfs/dbraw/zinc/24/79/83/1415247983.db2.gz JHXQVVPPHOXCHV-QNGMFEMESA-N 2 0 378.605 3.449 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125672780 1415251468 /nfs/dbraw/zinc/25/14/68/1415251468.db2.gz CCBKNHXLIGGYDE-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177888928 1428884331 /nfs/dbraw/zinc/88/43/31/1428884331.db2.gz COSVPOYCSYQBMS-IRXDYDNUSA-N 2 0 399.501 3.412 20 0 GGADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753846 1415271042 /nfs/dbraw/zinc/27/10/42/1415271042.db2.gz KLMBXHUBIFCSSX-HOCLYGCPSA-N 2 0 381.446 3.412 20 0 GGADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125898381 1415307826 /nfs/dbraw/zinc/30/78/26/1415307826.db2.gz PPXBGAOEQCYPFK-APWZRJJASA-N 2 0 381.586 3.244 20 0 GGADRP COc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OCC(C)C ZINC000126052416 1415345506 /nfs/dbraw/zinc/34/55/06/1415345506.db2.gz XVQHRYMECFGJPP-UHFFFAOYSA-N 2 0 389.584 3.378 20 0 GGADRP CCOc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1OC(F)F ZINC000126055375 1415346245 /nfs/dbraw/zinc/34/62/45/1415346245.db2.gz IRIBYQPZKKAICQ-UHFFFAOYSA-N 2 0 397.510 3.335 20 0 GGADRP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC(C)C ZINC000126059105 1415347288 /nfs/dbraw/zinc/34/72/88/1415347288.db2.gz MELBOWGDDIVISX-UHFFFAOYSA-N 2 0 375.557 3.131 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[NH+](C)C)cc1 ZINC000126066214 1415349086 /nfs/dbraw/zinc/34/90/86/1415349086.db2.gz AJXCNMXSCCYZKZ-FCEUIQTBSA-N 2 0 384.568 3.256 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000126164384 1415374452 /nfs/dbraw/zinc/37/44/52/1415374452.db2.gz OKACMNVJCZSLKN-MRXNPFEDSA-N 2 0 385.508 3.272 20 0 GGADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177980120 1428913620 /nfs/dbraw/zinc/91/36/20/1428913620.db2.gz ONNBGRKQYLQZTC-QGZVFWFLSA-N 2 0 389.565 3.286 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000126359936 1415426956 /nfs/dbraw/zinc/42/69/56/1415426956.db2.gz XZMQJDLWRJZUDO-HXUWFJFHSA-N 2 0 394.563 3.331 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)N(C)C)c1ccsc1 ZINC000126385814 1415432100 /nfs/dbraw/zinc/43/21/00/1415432100.db2.gz QFRPVTYQTFOWAX-SJORKVTESA-N 2 0 378.542 3.326 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006267 1428929969 /nfs/dbraw/zinc/92/99/69/1428929969.db2.gz NBYBKNZAFUFXNJ-VGSWGCGISA-N 2 0 393.531 3.170 20 0 GGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000126645021 1415515419 /nfs/dbraw/zinc/51/54/19/1415515419.db2.gz SLQCBSALOCOTMB-GOSISDBHSA-N 2 0 380.536 3.243 20 0 GGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000178036388 1428948564 /nfs/dbraw/zinc/94/85/64/1428948564.db2.gz OZZJFINVIPSFRR-GBESFXJTSA-N 2 0 375.557 3.500 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000126727760 1415540932 /nfs/dbraw/zinc/54/09/32/1415540932.db2.gz XIVNMNNVGPBXGZ-GOSISDBHSA-N 2 0 384.543 3.490 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000126797644 1415562367 /nfs/dbraw/zinc/56/23/67/1415562367.db2.gz GMWZQOVCKWKRBH-NRFANRHFSA-N 2 0 398.551 3.058 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000178034646 1428948085 /nfs/dbraw/zinc/94/80/85/1428948085.db2.gz FVLSHXWQUBBSSB-KURKYZTESA-N 2 0 375.513 3.183 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037153 1428949614 /nfs/dbraw/zinc/94/96/14/1428949614.db2.gz MXFOBEDRJACXNK-KSZLIROESA-N 2 0 375.513 3.183 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000126815050 1415569345 /nfs/dbraw/zinc/56/93/45/1415569345.db2.gz ZQCVPQUCVSAGLW-RBUKOAKNSA-N 2 0 388.487 3.158 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@@H](C)O1 ZINC000178040336 1428951859 /nfs/dbraw/zinc/95/18/59/1428951859.db2.gz CBJCPHSEMQKKBR-XMFZZSFMSA-N 2 0 385.552 3.298 20 0 GGADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000178081230 1428973950 /nfs/dbraw/zinc/97/39/50/1428973950.db2.gz LWHCOPWJKMKXAX-GOSISDBHSA-N 2 0 375.557 3.315 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000127161522 1415675551 /nfs/dbraw/zinc/67/55/51/1415675551.db2.gz WASXMARGVJVSSX-HLAWJBBLSA-N 2 0 376.589 3.155 20 0 GGADRP CC(C)(C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000127181448 1415680360 /nfs/dbraw/zinc/68/03/60/1415680360.db2.gz MQNHIQDQYIPELZ-UHFFFAOYSA-N 2 0 380.598 3.134 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000127261745 1415708080 /nfs/dbraw/zinc/70/80/80/1415708080.db2.gz CJFQDKRZTCWAHT-KDURUIRLSA-N 2 0 390.572 3.253 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000127262205 1415708814 /nfs/dbraw/zinc/70/88/14/1415708814.db2.gz CJFQDKRZTCWAHT-RTBURBONSA-N 2 0 390.572 3.253 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000127289752 1415722904 /nfs/dbraw/zinc/72/29/04/1415722904.db2.gz LLSIBHJFAPJEOQ-SFHVURJKSA-N 2 0 376.564 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000127294073 1415724070 /nfs/dbraw/zinc/72/40/70/1415724070.db2.gz YBBRPPMBBBPRIZ-OXJNMPFZSA-N 2 0 385.531 3.429 20 0 GGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000127360143 1415751634 /nfs/dbraw/zinc/75/16/34/1415751634.db2.gz QMPBBVMKVIQTHL-FQEVSTJZSA-N 2 0 384.524 3.029 20 0 GGADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000127410906 1415769502 /nfs/dbraw/zinc/76/95/02/1415769502.db2.gz LBHCAFIJZLMMOA-HXUWFJFHSA-N 2 0 386.540 3.253 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000127463251 1415788423 /nfs/dbraw/zinc/78/84/23/1415788423.db2.gz RFEQHZBHRHOHEJ-JTSKRJEESA-N 2 0 398.526 3.207 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000127507496 1415802310 /nfs/dbraw/zinc/80/23/10/1415802310.db2.gz DEKYXLAMOJLDOH-ZLNRFVROSA-N 2 0 396.579 3.167 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127570318 1415811407 /nfs/dbraw/zinc/81/14/07/1415811407.db2.gz KJARSJTUIVTVCM-MBSDFSHPSA-N 2 0 385.527 3.344 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000127599747 1415816780 /nfs/dbraw/zinc/81/67/80/1415816780.db2.gz WPKOZZNRQADKBL-CEWLAPEOSA-N 2 0 384.568 3.165 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000127668979 1415829811 /nfs/dbraw/zinc/82/98/11/1415829811.db2.gz XWKUUIDGOHPDMG-JRGCBEDISA-N 2 0 388.531 3.087 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000127729879 1415839980 /nfs/dbraw/zinc/83/99/80/1415839980.db2.gz ZMFSNGOAQHAKNF-QWHCGFSZSA-N 2 0 393.425 3.176 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000127729603 1415840236 /nfs/dbraw/zinc/84/02/36/1415840236.db2.gz ZMFSNGOAQHAKNF-OLZOCXBDSA-N 2 0 393.425 3.176 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000127844348 1415861945 /nfs/dbraw/zinc/86/19/45/1415861945.db2.gz UWVWJTRATFUUGH-UHFFFAOYSA-N 2 0 384.524 3.147 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000127862114 1415864903 /nfs/dbraw/zinc/86/49/03/1415864903.db2.gz WNKWDMDQQGUSND-UXHICEINSA-N 2 0 390.572 3.474 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000127915989 1415874725 /nfs/dbraw/zinc/87/47/25/1415874725.db2.gz PITPVHPKPURVTK-JPYJTQIMSA-N 2 0 393.510 3.449 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(F)c1 ZINC000127934344 1415877644 /nfs/dbraw/zinc/87/76/44/1415877644.db2.gz HSZULKHBRSZECN-DUXKGJEZSA-N 2 0 388.531 3.087 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000127935050 1415878321 /nfs/dbraw/zinc/87/83/21/1415878321.db2.gz HRGQRJRNNBWUMG-XLIONFOSSA-N 2 0 378.536 3.096 20 0 GGADRP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004294 1415891460 /nfs/dbraw/zinc/89/14/60/1415891460.db2.gz TUCYACJQBLFYDI-GMAHTHKFSA-N 2 0 395.547 3.156 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@H](C)O1 ZINC000128005646 1415892167 /nfs/dbraw/zinc/89/21/67/1415892167.db2.gz WNPHQMWJXGPWJG-KDURUIRLSA-N 2 0 391.519 3.166 20 0 GGADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044983 1415899972 /nfs/dbraw/zinc/89/99/72/1415899972.db2.gz CTLOYWLGTQGYNG-RBBKRZOGSA-N 2 0 383.536 3.477 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000178203194 1429017640 /nfs/dbraw/zinc/01/76/40/1429017640.db2.gz UZJKWRUYJNKOFR-QHCPKHFHSA-N 2 0 399.579 3.178 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C[C@@H](C)O1 ZINC000178239782 1429028343 /nfs/dbraw/zinc/02/83/43/1429028343.db2.gz YWAODGBJBBZQTR-RTBURBONSA-N 2 0 387.568 3.100 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2Cl)CC1 ZINC000128132680 1415920860 /nfs/dbraw/zinc/92/08/60/1415920860.db2.gz ULOYFDSHQSYGMC-UHFFFAOYSA-N 2 0 395.975 3.409 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128240003 1415946135 /nfs/dbraw/zinc/94/61/35/1415946135.db2.gz KPKZHGZSTILWCP-LJQANCHMSA-N 2 0 389.588 3.239 20 0 GGADRP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)s2)o1 ZINC000128403777 1415980049 /nfs/dbraw/zinc/98/00/49/1415980049.db2.gz BKJJVFTXMDQHAG-UHFFFAOYSA-N 2 0 398.532 3.293 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000178259175 1429035931 /nfs/dbraw/zinc/03/59/31/1429035931.db2.gz SQDXTQVDGRSFTN-KDURUIRLSA-N 2 0 387.568 3.100 20 0 GGADRP COc1ccccc1CC(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000178260442 1429035991 /nfs/dbraw/zinc/03/59/91/1429035991.db2.gz YRGOXLMSTATYFT-UHFFFAOYSA-N 2 0 387.568 3.081 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000128495597 1415999688 /nfs/dbraw/zinc/99/96/88/1415999688.db2.gz IDTCHOLUZILQPH-MRXNPFEDSA-N 2 0 377.529 3.131 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000128643256 1416032576 /nfs/dbraw/zinc/03/25/76/1416032576.db2.gz QIRCMAVNPWKRHQ-UHFFFAOYSA-N 2 0 390.572 3.398 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000128680435 1416041597 /nfs/dbraw/zinc/04/15/97/1416041597.db2.gz OFYWEIHKHJPPSF-UHFFFAOYSA-N 2 0 396.982 3.061 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000128727731 1416052752 /nfs/dbraw/zinc/05/27/52/1416052752.db2.gz PXTVGGZUWTZLGG-OALUTQOASA-N 2 0 378.561 3.330 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccco1 ZINC000128726988 1416052906 /nfs/dbraw/zinc/05/29/06/1416052906.db2.gz IDNSRIBHGJZCQB-MISYRCLQSA-N 2 0 388.556 3.321 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000178296856 1429045157 /nfs/dbraw/zinc/04/51/57/1429045157.db2.gz NVPYOARXKMBUSG-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-n2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000128900716 1416096914 /nfs/dbraw/zinc/09/69/14/1416096914.db2.gz IFKBJJZSSSUYSF-WIYYLYMNSA-N 2 0 389.503 3.335 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318846 1416190528 /nfs/dbraw/zinc/19/05/28/1416190528.db2.gz YRURMVKNXMEKCX-ROUUACIJSA-N 2 0 378.586 3.114 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccs1 ZINC000129328584 1416191897 /nfs/dbraw/zinc/19/18/97/1416191897.db2.gz YGEIHFFLDPBATJ-OALUTQOASA-N 2 0 386.565 3.487 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccs1 ZINC000129329300 1416192288 /nfs/dbraw/zinc/19/22/88/1416192288.db2.gz YGEIHFFLDPBATJ-RTBURBONSA-N 2 0 386.565 3.487 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000129465575 1416213849 /nfs/dbraw/zinc/21/38/49/1416213849.db2.gz UMOUMUQYHMQOBP-UHFFFAOYSA-N 2 0 383.380 3.451 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000129498026 1416219003 /nfs/dbraw/zinc/21/90/03/1416219003.db2.gz DECOJRKYUFDIKW-APWZRJJASA-N 2 0 378.948 3.070 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000129714780 1416252762 /nfs/dbraw/zinc/25/27/62/1416252762.db2.gz COSOLMJUSMGQSJ-UJJTZGENSA-N 2 0 383.458 3.488 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000129860448 1416275879 /nfs/dbraw/zinc/27/58/79/1416275879.db2.gz QUAUEIJITOEKBL-PGRDOPGGSA-N 2 0 388.600 3.442 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000129860883 1416276110 /nfs/dbraw/zinc/27/61/10/1416276110.db2.gz KBBRUNXWPABJAZ-LJQANCHMSA-N 2 0 378.605 3.451 20 0 GGADRP C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129957139 1416291069 /nfs/dbraw/zinc/29/10/69/1416291069.db2.gz KZNYZCCDXMKZKU-XSLAGTTESA-N 2 0 390.547 3.016 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000129984307 1416296255 /nfs/dbraw/zinc/29/62/55/1416296255.db2.gz ZDAIMFBMVKQLCS-UNMCSNQZSA-N 2 0 390.616 3.403 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000130072903 1416312201 /nfs/dbraw/zinc/31/22/01/1416312201.db2.gz JXTLZRTVDKEZRD-LJQANCHMSA-N 2 0 387.499 3.221 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000130073124 1416312462 /nfs/dbraw/zinc/31/24/62/1416312462.db2.gz JXTLZRTVDKEZRD-IBGZPJMESA-N 2 0 387.499 3.221 20 0 GGADRP CC(C)c1nc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000130197053 1416337207 /nfs/dbraw/zinc/33/72/07/1416337207.db2.gz MKYBCMNPMCFXOZ-UHFFFAOYSA-N 2 0 386.565 3.382 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130217612 1416341053 /nfs/dbraw/zinc/34/10/53/1416341053.db2.gz QGAXWCWTBBPBEH-IRXDYDNUSA-N 2 0 378.586 3.227 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000130233827 1416343879 /nfs/dbraw/zinc/34/38/79/1416343879.db2.gz MKZGRCLMKGLKHR-QGZVFWFLSA-N 2 0 385.508 3.175 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000130316500 1416356749 /nfs/dbraw/zinc/35/67/49/1416356749.db2.gz FOWOZUOFPRTRGV-CRAIPNDOSA-N 2 0 378.948 3.038 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000130316042 1416356766 /nfs/dbraw/zinc/35/67/66/1416356766.db2.gz FOWOZUOFPRTRGV-QAPCUYQASA-N 2 0 378.948 3.038 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000130316279 1416356834 /nfs/dbraw/zinc/35/68/34/1416356834.db2.gz FOWOZUOFPRTRGV-YJBOKZPZSA-N 2 0 378.948 3.038 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000130481047 1416385617 /nfs/dbraw/zinc/38/56/17/1416385617.db2.gz GURZXWGTIDHHJU-ALKREAHSSA-N 2 0 396.938 3.065 20 0 GGADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000130581800 1416404001 /nfs/dbraw/zinc/40/40/01/1416404001.db2.gz XCZFJCSNGXDHLZ-NRFANRHFSA-N 2 0 384.524 3.276 20 0 GGADRP Cc1ccc(C)c(OCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130648956 1416417235 /nfs/dbraw/zinc/41/72/35/1416417235.db2.gz QYCJXJLTEJJZAM-UHFFFAOYSA-N 2 0 389.584 3.098 20 0 GGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000130700395 1416428126 /nfs/dbraw/zinc/42/81/26/1416428126.db2.gz FLOPVKBYYOCGMW-SFHVURJKSA-N 2 0 390.597 3.274 20 0 GGADRP CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130705143 1416429907 /nfs/dbraw/zinc/42/99/07/1416429907.db2.gz BEIRMKQXFHQGHK-UHFFFAOYSA-N 2 0 389.584 3.390 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000130707431 1416430827 /nfs/dbraw/zinc/43/08/27/1416430827.db2.gz KZDSHYSKZLCUEK-MWXLCCTBSA-N 2 0 378.605 3.307 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000130725386 1416435508 /nfs/dbraw/zinc/43/55/08/1416435508.db2.gz YQOXDZKQOQYNBD-LJQANCHMSA-N 2 0 390.572 3.253 20 0 GGADRP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000130826047 1416460496 /nfs/dbraw/zinc/46/04/96/1416460496.db2.gz HFVOFQMYFMOOPT-CRAIPNDOSA-N 2 0 384.927 3.113 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000130891250 1416476303 /nfs/dbraw/zinc/47/63/03/1416476303.db2.gz OERRPUQWMXCIBJ-FQEVSTJZSA-N 2 0 390.478 3.129 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131022964 1416497398 /nfs/dbraw/zinc/49/73/98/1416497398.db2.gz VSKMQYLATJKICV-UHFFFAOYSA-N 2 0 383.584 3.285 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539244 1429101975 /nfs/dbraw/zinc/10/19/75/1429101975.db2.gz KPPXXVCEEKANDV-KNQAVFIVSA-N 2 0 399.583 3.085 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000131060343 1416502824 /nfs/dbraw/zinc/50/28/24/1416502824.db2.gz ZZMBYYVGPTYTEO-BGYRXZFFSA-N 2 0 382.552 3.253 20 0 GGADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3OCC(=O)N(C)C)CC2)CC1 ZINC000131081145 1416505677 /nfs/dbraw/zinc/50/56/77/1416505677.db2.gz JFLFVFBTRUWIAZ-UHFFFAOYSA-N 2 0 387.568 3.286 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000131086484 1416506691 /nfs/dbraw/zinc/50/66/91/1416506691.db2.gz BOSIYDGWXGTMNR-YADHBBJMSA-N 2 0 384.568 3.402 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000131129635 1416513204 /nfs/dbraw/zinc/51/32/04/1416513204.db2.gz YDNLZFDMTQXSIC-OAQYLSRUSA-N 2 0 384.568 3.346 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000131205643 1416523494 /nfs/dbraw/zinc/52/34/94/1416523494.db2.gz MOAAICWZSNUFAR-UHFFFAOYSA-N 2 0 395.979 3.287 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000131306532 1416537722 /nfs/dbraw/zinc/53/77/22/1416537722.db2.gz YYRXJERTDCZXSA-UHFFFAOYSA-N 2 0 392.491 3.298 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccco1 ZINC000131352207 1416544010 /nfs/dbraw/zinc/54/40/10/1416544010.db2.gz DSQNFWUHSPADTE-LJQANCHMSA-N 2 0 390.503 3.363 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000131557286 1416576117 /nfs/dbraw/zinc/57/61/17/1416576117.db2.gz NUOQMBLRYFXRJY-SFHVURJKSA-N 2 0 395.551 3.168 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131591849 1416581400 /nfs/dbraw/zinc/58/14/00/1416581400.db2.gz JRICVANJNDMOPG-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000131650991 1416590485 /nfs/dbraw/zinc/59/04/85/1416590485.db2.gz ZMRJOUSMLJIHNU-VQIMIIECSA-N 2 0 396.938 3.113 20 0 GGADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000131864328 1416637484 /nfs/dbraw/zinc/63/74/84/1416637484.db2.gz JWRYGRYFWOSJEK-MRXNPFEDSA-N 2 0 385.508 3.445 20 0 GGADRP CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000178600716 1429118817 /nfs/dbraw/zinc/11/88/17/1429118817.db2.gz BUUCQPBDRCNMCE-SFHVURJKSA-N 2 0 385.474 3.468 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000132071854 1416688262 /nfs/dbraw/zinc/68/82/62/1416688262.db2.gz BTNQWYQFRLQXNP-IBGZPJMESA-N 2 0 395.551 3.038 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132168374 1416710621 /nfs/dbraw/zinc/71/06/21/1416710621.db2.gz DDSIIEUSEOWAGC-ZDUSSCGKSA-N 2 0 375.435 3.480 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC000132312204 1416733909 /nfs/dbraw/zinc/73/39/09/1416733909.db2.gz PNFQXAQNEIIHSD-UHFFFAOYSA-N 2 0 396.922 3.469 20 0 GGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000132327643 1416736969 /nfs/dbraw/zinc/73/69/69/1416736969.db2.gz XAXWPKXVCUWZEV-NRFANRHFSA-N 2 0 384.568 3.496 20 0 GGADRP CC(C)n1nc(-c2ccccc2)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000132427468 1416758311 /nfs/dbraw/zinc/75/83/11/1416758311.db2.gz TUOVRUJAKGXBEJ-UHFFFAOYSA-N 2 0 386.544 3.088 20 0 GGADRP COc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000132441367 1416760617 /nfs/dbraw/zinc/76/06/17/1416760617.db2.gz VPYJXWNZDKWQIO-NVXWUHKLSA-N 2 0 385.499 3.219 20 0 GGADRP COc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000132441168 1416760972 /nfs/dbraw/zinc/76/09/72/1416760972.db2.gz VPYJXWNZDKWQIO-RDJZCZTQSA-N 2 0 385.499 3.219 20 0 GGADRP CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)N1CC[NH+](C)CC1 ZINC000132448416 1416762211 /nfs/dbraw/zinc/76/22/11/1416762211.db2.gz GVYSSMBBKNQGTM-JOCHJYFZSA-N 2 0 393.019 3.166 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132500458 1416773666 /nfs/dbraw/zinc/77/36/66/1416773666.db2.gz JBWPRUDLPFZXER-VQIMIIECSA-N 2 0 387.597 3.436 20 0 GGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132540170 1416781429 /nfs/dbraw/zinc/78/14/29/1416781429.db2.gz ZVQDTTFMMCHLQU-QAPCUYQASA-N 2 0 383.964 3.280 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000132552218 1416783812 /nfs/dbraw/zinc/78/38/12/1416783812.db2.gz PJKNDGAKBQJZJD-UHFFFAOYSA-N 2 0 389.609 3.429 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000132568083 1416786111 /nfs/dbraw/zinc/78/61/11/1416786111.db2.gz IALUXVYWVMQTFP-VGSWGCGISA-N 2 0 387.547 3.242 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000132708225 1416806417 /nfs/dbraw/zinc/80/64/17/1416806417.db2.gz YVVTVJZONXPDJN-KRWDZBQOSA-N 2 0 382.504 3.265 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000132822397 1416819374 /nfs/dbraw/zinc/81/93/74/1416819374.db2.gz HMSGBNNKSDYVSV-GOSISDBHSA-N 2 0 391.519 3.075 20 0 GGADRP Clc1ccccc1CN1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000132879231 1416826415 /nfs/dbraw/zinc/82/64/15/1416826415.db2.gz JCOZQMCPEKXXHD-GOSISDBHSA-N 2 0 391.987 3.395 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000132883494 1416826894 /nfs/dbraw/zinc/82/68/94/1416826894.db2.gz YKRHKCCUBLJVNZ-DZIBYMRMSA-N 2 0 390.547 3.066 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074024 1416849004 /nfs/dbraw/zinc/84/90/04/1416849004.db2.gz AMDLSXHYMGHPJZ-MOPGFXCFSA-N 2 0 398.551 3.092 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)[C@H](C)C1 ZINC000133090286 1416850772 /nfs/dbraw/zinc/85/07/72/1416850772.db2.gz PQWAARSBBRHLJH-UXPWSPDFSA-N 2 0 399.501 3.399 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000133285303 1416874495 /nfs/dbraw/zinc/87/44/95/1416874495.db2.gz UFOLFCXZMGJHHI-UHFFFAOYSA-N 2 0 383.584 3.285 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000133299805 1416876271 /nfs/dbraw/zinc/87/62/71/1416876271.db2.gz QYJBREWXOFHQHG-HKBOAZHASA-N 2 0 389.584 3.248 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133423312 1416888605 /nfs/dbraw/zinc/88/86/05/1416888605.db2.gz ZFMQNMWOPPYGFW-GCJKJVERSA-N 2 0 399.583 3.171 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000133536769 1416899496 /nfs/dbraw/zinc/89/94/96/1416899496.db2.gz UCKIEOCABOTREV-UHFFFAOYSA-N 2 0 386.487 3.099 20 0 GGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133569177 1416906858 /nfs/dbraw/zinc/90/68/58/1416906858.db2.gz KMJPKFXXWKJKMZ-LJQANCHMSA-N 2 0 375.582 3.162 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000133623733 1416924095 /nfs/dbraw/zinc/92/40/95/1416924095.db2.gz BKAUYDGZAYADIM-SFHVURJKSA-N 2 0 399.583 3.313 20 0 GGADRP C[C@@H](Oc1cccnc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000133646522 1416930264 /nfs/dbraw/zinc/93/02/64/1416930264.db2.gz FJDDMQXOBDPGMK-GOSISDBHSA-N 2 0 399.539 3.179 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000133701486 1416945395 /nfs/dbraw/zinc/94/53/95/1416945395.db2.gz YCDVHSLYDJUQRP-LJQANCHMSA-N 2 0 376.520 3.047 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000133701276 1416945628 /nfs/dbraw/zinc/94/56/28/1416945628.db2.gz YCDVHSLYDJUQRP-IBGZPJMESA-N 2 0 376.520 3.047 20 0 GGADRP CCc1nccn1[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000133785595 1416962800 /nfs/dbraw/zinc/96/28/00/1416962800.db2.gz VEMLTMXVFHBQHW-SFHVURJKSA-N 2 0 387.503 3.193 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000133859235 1416979790 /nfs/dbraw/zinc/97/97/90/1416979790.db2.gz RNNBRNFGHVGFDJ-LJQANCHMSA-N 2 0 376.520 3.047 20 0 GGADRP C[NH2+]CCCC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000178708501 1429147883 /nfs/dbraw/zinc/14/78/83/1429147883.db2.gz JZTUPAZUFLJFRF-UHFFFAOYSA-N 2 0 375.513 3.198 20 0 GGADRP C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133999306 1417007748 /nfs/dbraw/zinc/00/77/48/1417007748.db2.gz URNOUGREASSBSL-VGOFRKELSA-N 2 0 386.561 3.499 20 0 GGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134087571 1417020458 /nfs/dbraw/zinc/02/04/58/1417020458.db2.gz DRJMFNSBXBGSQX-UHFFFAOYSA-N 2 0 396.579 3.401 20 0 GGADRP COc1cccc([C@@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000134130136 1417026467 /nfs/dbraw/zinc/02/64/67/1417026467.db2.gz BNRCXUVBYCCQIU-QHCPKHFHSA-N 2 0 383.536 3.049 20 0 GGADRP CCOc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC(F)F ZINC000134130963 1417026517 /nfs/dbraw/zinc/02/65/17/1417026517.db2.gz RLVAXYKZPCAPNX-UHFFFAOYSA-N 2 0 384.467 3.231 20 0 GGADRP CC1CC[NH+](CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000134281421 1417049285 /nfs/dbraw/zinc/04/92/85/1417049285.db2.gz VFSVSBGKQVFTII-UHFFFAOYSA-N 2 0 386.540 3.172 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134341503 1417057860 /nfs/dbraw/zinc/05/78/60/1417057860.db2.gz KQQNJHJTQFRBLE-UHFFFAOYSA-N 2 0 384.549 3.136 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134506313 1417078265 /nfs/dbraw/zinc/07/82/65/1417078265.db2.gz BHRKNKINWGAQJT-APWZRJJASA-N 2 0 396.938 3.257 20 0 GGADRP CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000134545361 1417085086 /nfs/dbraw/zinc/08/50/86/1417085086.db2.gz KEDPHPVZERCBKK-NQIIRXRSSA-N 2 0 389.609 3.373 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000178739220 1429157843 /nfs/dbraw/zinc/15/78/43/1429157843.db2.gz VCNPGDCADNWOPN-NJAFHUGGSA-N 2 0 376.570 3.009 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000178739233 1429157874 /nfs/dbraw/zinc/15/78/74/1429157874.db2.gz VCNPGDCADNWOPN-BPQIPLTHSA-N 2 0 376.570 3.009 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000134634496 1417102125 /nfs/dbraw/zinc/10/21/25/1417102125.db2.gz LBIXZWIXOAMTQN-RTBURBONSA-N 2 0 386.584 3.315 20 0 GGADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879742 1417138748 /nfs/dbraw/zinc/13/87/48/1417138748.db2.gz VNAUEJFOJUQDJA-OZOXKJRCSA-N 2 0 378.944 3.166 20 0 GGADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000134926544 1417146372 /nfs/dbraw/zinc/14/63/72/1417146372.db2.gz YNQDFBUKRNBQCB-ATZDWAIDSA-N 2 0 379.342 3.431 20 0 GGADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134994279 1417158178 /nfs/dbraw/zinc/15/81/78/1417158178.db2.gz UJQXDFBPUQRLIN-KRWDZBQOSA-N 2 0 398.526 3.133 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2F)CC1 ZINC000178761841 1429163035 /nfs/dbraw/zinc/16/30/35/1429163035.db2.gz ODSOJPOVLGWUEY-IBGZPJMESA-N 2 0 384.499 3.037 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000135131077 1417175714 /nfs/dbraw/zinc/17/57/14/1417175714.db2.gz UONBXVQKJSDTHF-WOJBJXKFSA-N 2 0 387.568 3.251 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135131128 1417175743 /nfs/dbraw/zinc/17/57/43/1417175743.db2.gz ZDBCBUWGNCPASJ-CALCHBBNSA-N 2 0 378.536 3.055 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135274280 1417200277 /nfs/dbraw/zinc/20/02/77/1417200277.db2.gz XLOKBXITFPBQSO-BJLQDIEVSA-N 2 0 393.547 3.060 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000135459994 1417223226 /nfs/dbraw/zinc/22/32/26/1417223226.db2.gz KNIHAYPFGQIGRW-HXUWFJFHSA-N 2 0 390.478 3.129 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000135603017 1417243936 /nfs/dbraw/zinc/24/39/36/1417243936.db2.gz JDOLHMDSUSOOOD-HNAYVOBHSA-N 2 0 396.938 3.255 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000135603043 1417244449 /nfs/dbraw/zinc/24/44/49/1417244449.db2.gz JDOLHMDSUSOOOD-DNVCBOLYSA-N 2 0 396.938 3.255 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C1CC1 ZINC000135653204 1417253966 /nfs/dbraw/zinc/25/39/66/1417253966.db2.gz AWYPVXYCHJLCEE-FRIZHTMISA-N 2 0 396.938 3.254 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000136073514 1417290214 /nfs/dbraw/zinc/29/02/14/1417290214.db2.gz WOXCGNOZFQMIIL-FXAWDEMLSA-N 2 0 375.582 3.115 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000136073476 1417290598 /nfs/dbraw/zinc/29/05/98/1417290598.db2.gz WOXCGNOZFQMIIL-YLJYHZDGSA-N 2 0 375.582 3.115 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000136170221 1417297515 /nfs/dbraw/zinc/29/75/15/1417297515.db2.gz ZKGLRXRXWLJATD-UTKZUKDTSA-N 2 0 398.526 3.350 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000136170177 1417297689 /nfs/dbraw/zinc/29/76/89/1417297689.db2.gz VMGNRGDXZRTXSQ-UHFFFAOYSA-N 2 0 392.563 3.445 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)ccn1 ZINC000136226860 1417302639 /nfs/dbraw/zinc/30/26/39/1417302639.db2.gz QJTCQKBFZJXIAZ-UHFFFAOYSA-N 2 0 385.899 3.355 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000136242722 1417304441 /nfs/dbraw/zinc/30/44/41/1417304441.db2.gz ZXBOWWNMUICKFC-NQIIRXRSSA-N 2 0 388.531 3.046 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC[C@@H]21 ZINC000136376160 1417312383 /nfs/dbraw/zinc/31/23/83/1417312383.db2.gz FFDYWEHTGVGFNE-BZSNNMDCSA-N 2 0 376.570 3.011 20 0 GGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000136415576 1417314833 /nfs/dbraw/zinc/31/48/33/1417314833.db2.gz SWWMBUASJXQHAW-GCJKJVERSA-N 2 0 395.547 3.200 20 0 GGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000136611619 1417332527 /nfs/dbraw/zinc/33/25/27/1417332527.db2.gz KITGLNXGFDOFDX-RJGXRXQPSA-N 2 0 388.552 3.102 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136745273 1417343235 /nfs/dbraw/zinc/34/32/35/1417343235.db2.gz YZHAURPYADVYRF-UNMCSNQZSA-N 2 0 384.568 3.085 20 0 GGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000136780859 1417345839 /nfs/dbraw/zinc/34/58/39/1417345839.db2.gz PUSBTUAIYHENBH-LJQANCHMSA-N 2 0 395.547 3.329 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CCCn2ccnc2)c2cccs2)CC1 ZINC000136862204 1417351217 /nfs/dbraw/zinc/35/12/17/1417351217.db2.gz OKOGOTKIMJZEEG-GOSISDBHSA-N 2 0 389.569 3.449 20 0 GGADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000138069963 1417404173 /nfs/dbraw/zinc/40/41/73/1417404173.db2.gz VSUUQVXVDLCCOD-NRFANRHFSA-N 2 0 389.547 3.384 20 0 GGADRP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000139064970 1417446967 /nfs/dbraw/zinc/44/69/67/1417446967.db2.gz YHKIATFDYZPOCZ-PXNSSMCTSA-N 2 0 391.556 3.252 20 0 GGADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000178850961 1429194791 /nfs/dbraw/zinc/19/47/91/1429194791.db2.gz ALEDAURMKTVLSV-DNVCBOLYSA-N 2 0 383.458 3.027 20 0 GGADRP C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000145590937 1417693357 /nfs/dbraw/zinc/69/33/57/1417693357.db2.gz HZMZKXMQDSEOKU-OALUTQOASA-N 2 0 388.625 3.236 20 0 GGADRP CC[NH+](CC)C1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000145649106 1417694803 /nfs/dbraw/zinc/69/48/03/1417694803.db2.gz UGNBMUKDELXNMC-UHFFFAOYSA-N 2 0 388.625 3.332 20 0 GGADRP Cc1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1N1CC[NH+](C)CC1 ZINC000147626620 1417750552 /nfs/dbraw/zinc/75/05/52/1417750552.db2.gz BYADFWFZYJFTRJ-UHFFFAOYSA-N 2 0 381.524 3.452 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000148874042 1417768724 /nfs/dbraw/zinc/76/87/24/1417768724.db2.gz PMYYTLFWESFLDT-GOSISDBHSA-N 2 0 392.613 3.380 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178879019 1429208972 /nfs/dbraw/zinc/20/89/72/1429208972.db2.gz GNUPHQLZHJVNTE-NYVOZVTQSA-N 2 0 382.552 3.078 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000150756904 1417800696 /nfs/dbraw/zinc/80/06/96/1417800696.db2.gz AMCGHSIBOGLFTQ-NRFANRHFSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150759917 1417801772 /nfs/dbraw/zinc/80/17/72/1417801772.db2.gz RNCTWHXBFNLSJC-NRFANRHFSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000150762540 1417802357 /nfs/dbraw/zinc/80/23/57/1417802357.db2.gz SRHNTUGMGOOWOT-LJQANCHMSA-N 2 0 394.991 3.391 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000150764242 1417802585 /nfs/dbraw/zinc/80/25/85/1417802585.db2.gz IIUZWNFMGCPSFZ-FGZHOGPDSA-N 2 0 386.584 3.270 20 0 GGADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150781472 1417805518 /nfs/dbraw/zinc/80/55/18/1417805518.db2.gz CTHYGIHRRIGVQW-HSZRJFAPSA-N 2 0 398.595 3.066 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150798414 1417809158 /nfs/dbraw/zinc/80/91/58/1417809158.db2.gz GCVFDPCTDZTNDH-OAQYLSRUSA-N 2 0 387.593 3.326 20 0 GGADRP CCCn1nc(C)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1C ZINC000150942983 1417841087 /nfs/dbraw/zinc/84/10/87/1417841087.db2.gz ZYNNCHNDQAGIQJ-UHFFFAOYSA-N 2 0 397.567 3.025 20 0 GGADRP Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150960747 1417844686 /nfs/dbraw/zinc/84/46/86/1417844686.db2.gz OWNNADTWWCEKPK-UHFFFAOYSA-N 2 0 398.551 3.028 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000150996532 1417851929 /nfs/dbraw/zinc/85/19/29/1417851929.db2.gz LRKIEWZMMXJEQB-QGZVFWFLSA-N 2 0 382.911 3.420 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000151006004 1417853925 /nfs/dbraw/zinc/85/39/25/1417853925.db2.gz UOTYLXDVCOZDFV-UHFFFAOYSA-N 2 0 379.976 3.443 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000151023584 1417857255 /nfs/dbraw/zinc/85/72/55/1417857255.db2.gz PBVJAGBQCRWGQM-UHFFFAOYSA-N 2 0 386.515 3.090 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 ZINC000151105770 1417873144 /nfs/dbraw/zinc/87/31/44/1417873144.db2.gz WXBQYRNEVNYWCF-ROUUACIJSA-N 2 0 381.586 3.100 20 0 GGADRP Cc1cccn2c(=O)cc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)nc12 ZINC000151148160 1417882460 /nfs/dbraw/zinc/88/24/60/1417882460.db2.gz VBHKCODXJLYABF-IBGZPJMESA-N 2 0 382.552 3.479 20 0 GGADRP CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151424376 1417962407 /nfs/dbraw/zinc/96/24/07/1417962407.db2.gz COOLWBDBEUXYPP-RBBKRZOGSA-N 2 0 384.568 3.167 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151467374 1417985477 /nfs/dbraw/zinc/98/54/77/1417985477.db2.gz JHMITYBLNDULJZ-TZIWHRDSSA-N 2 0 376.566 3.306 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000151555321 1418023167 /nfs/dbraw/zinc/02/31/67/1418023167.db2.gz QDEODDGWYFNWRY-MZYLBHOOSA-N 2 0 398.595 3.414 20 0 GGADRP C[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151686948 1418061084 /nfs/dbraw/zinc/06/10/84/1418061084.db2.gz SUKIFMQYJHYGLL-PKTZIBPZSA-N 2 0 398.595 3.414 20 0 GGADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000151810180 1418092620 /nfs/dbraw/zinc/09/26/20/1418092620.db2.gz NVBZWIOLUIOKIO-UHFFFAOYSA-N 2 0 384.499 3.086 20 0 GGADRP CCOC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000151946786 1418102149 /nfs/dbraw/zinc/10/21/49/1418102149.db2.gz NSAAAMQOYBJHCN-ROUUACIJSA-N 2 0 389.540 3.006 20 0 GGADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000151970692 1418108912 /nfs/dbraw/zinc/10/89/12/1418108912.db2.gz HFBZXPYVOQUURK-NLFFAJNJSA-N 2 0 393.575 3.253 20 0 GGADRP CCOC(=O)N1CCC([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000152150918 1418158610 /nfs/dbraw/zinc/15/86/10/1418158610.db2.gz YQKHMFXEYDHIGJ-UHFFFAOYSA-N 2 0 389.540 3.118 20 0 GGADRP CN(c1ccccc1C[NH2+]CCOc1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC000152171442 1418163958 /nfs/dbraw/zinc/16/39/58/1418163958.db2.gz QUXZLJGHBRTZCT-UHFFFAOYSA-N 2 0 388.943 3.434 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214995 1418175338 /nfs/dbraw/zinc/17/53/38/1418175338.db2.gz NAYJCYLCNQCSRH-PGRDOPGGSA-N 2 0 395.551 3.209 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152215089 1418175650 /nfs/dbraw/zinc/17/56/50/1418175650.db2.gz NAYJCYLCNQCSRH-XMSQKQJNSA-N 2 0 395.551 3.209 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)nc1 ZINC000179123660 1429269546 /nfs/dbraw/zinc/26/95/46/1429269546.db2.gz LZFOSUABJNRBRM-KXBFYZLASA-N 2 0 386.927 3.283 20 0 GGADRP Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179389687 1429354617 /nfs/dbraw/zinc/35/46/17/1429354617.db2.gz FSNBWPZAMLOQEK-QFIPXVFZSA-N 2 0 383.536 3.368 20 0 GGADRP Cc1cccc(OC[C@H](O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179389676 1429354878 /nfs/dbraw/zinc/35/48/78/1429354878.db2.gz FSNBWPZAMLOQEK-JOCHJYFZSA-N 2 0 383.536 3.368 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COCc1cccs1 ZINC000179394226 1429357295 /nfs/dbraw/zinc/35/72/95/1429357295.db2.gz ZDAKIXNGIXZATC-HXUWFJFHSA-N 2 0 389.565 3.259 20 0 GGADRP CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394145 1429357481 /nfs/dbraw/zinc/35/74/81/1429357481.db2.gz CYQAXGMUUXMOAD-UHFFFAOYSA-N 2 0 398.526 3.418 20 0 GGADRP COc1cccc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179394594 1429357622 /nfs/dbraw/zinc/35/76/22/1429357622.db2.gz CJFDJPBVHKETSP-UHFFFAOYSA-N 2 0 382.508 3.267 20 0 GGADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)c(C)n2n1 ZINC000179425019 1429370215 /nfs/dbraw/zinc/37/02/15/1429370215.db2.gz LCNIMCZGEZAASF-KRWDZBQOSA-N 2 0 393.535 3.154 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000179457827 1429383222 /nfs/dbraw/zinc/38/32/22/1429383222.db2.gz AALBKINPHQLXPZ-IBGZPJMESA-N 2 0 376.545 3.180 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496249 1429394686 /nfs/dbraw/zinc/39/46/86/1429394686.db2.gz PARFZXJGJLWBPO-WMZHIEFXSA-N 2 0 395.547 3.469 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496281 1429394496 /nfs/dbraw/zinc/39/44/96/1429394496.db2.gz PARFZXJGJLWBPO-XXBNENTESA-N 2 0 395.547 3.469 20 0 GGADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179555633 1429430051 /nfs/dbraw/zinc/43/00/51/1429430051.db2.gz AVBLVYUWYRPDCQ-JOCHJYFZSA-N 2 0 392.547 3.326 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000152305087 1422067948 /nfs/dbraw/zinc/06/79/48/1422067948.db2.gz RORXHBPTWJBOLZ-RBUKOAKNSA-N 2 0 395.975 3.013 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179735649 1429529324 /nfs/dbraw/zinc/52/93/24/1429529324.db2.gz LRHYKRJNRRBMSX-FQEVSTJZSA-N 2 0 397.523 3.027 20 0 GGADRP CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000152423592 1422099291 /nfs/dbraw/zinc/09/92/91/1422099291.db2.gz HFMQZSSJMRBNGA-UEXGIBASSA-N 2 0 375.561 3.303 20 0 GGADRP CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000152423749 1422099392 /nfs/dbraw/zinc/09/93/92/1422099392.db2.gz HFMQZSSJMRBNGA-WAOWUJCRSA-N 2 0 375.561 3.303 20 0 GGADRP CCOC(=O)N1CCC([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000152460775 1422110085 /nfs/dbraw/zinc/11/00/85/1422110085.db2.gz NPOPELCIWDOGPM-SFHVURJKSA-N 2 0 389.540 3.097 20 0 GGADRP CC(C)[C@H](C(=O)Nc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c(F)cc1F)[NH+](C)C ZINC000152478503 1422114642 /nfs/dbraw/zinc/11/46/42/1422114642.db2.gz YJPGKJZXKPOGDJ-HDICACEKSA-N 2 0 398.498 3.014 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179742750 1429532834 /nfs/dbraw/zinc/53/28/34/1429532834.db2.gz YJWVNJZVQKOUCA-UHFFFAOYSA-N 2 0 387.572 3.061 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179735638 1429529118 /nfs/dbraw/zinc/52/91/18/1429529118.db2.gz LRHYKRJNRRBMSX-HXUWFJFHSA-N 2 0 397.523 3.027 20 0 GGADRP Cc1c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cnn1-c1ccncc1 ZINC000152656387 1422192069 /nfs/dbraw/zinc/19/20/69/1422192069.db2.gz FZQGRMHSBXBGRQ-UHFFFAOYSA-N 2 0 377.492 3.346 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152690408 1422210559 /nfs/dbraw/zinc/21/05/59/1422210559.db2.gz AUERYSKNGUFWBY-QNGMFEMESA-N 2 0 378.605 3.403 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152690296 1422210900 /nfs/dbraw/zinc/21/09/00/1422210900.db2.gz AUERYSKNGUFWBY-MWXLCCTBSA-N 2 0 378.605 3.403 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccco3)CC2)CC1 ZINC000152736936 1422230948 /nfs/dbraw/zinc/23/09/48/1422230948.db2.gz UAKZVSOAYVPBPD-UHFFFAOYSA-N 2 0 390.572 3.396 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)CC1 ZINC000152745998 1422234282 /nfs/dbraw/zinc/23/42/82/1422234282.db2.gz OJQLLWVABAYIHE-GKYDQMIMSA-N 2 0 376.589 3.155 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000153146240 1422371191 /nfs/dbraw/zinc/37/11/91/1422371191.db2.gz DPOQUAAMUZLJQS-OAQYLSRUSA-N 2 0 399.970 3.317 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000153574987 1422628018 /nfs/dbraw/zinc/62/80/18/1422628018.db2.gz ZZYWGJLJCOTDPF-LPHOPBHVSA-N 2 0 396.938 3.209 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153623508 1422655283 /nfs/dbraw/zinc/65/52/83/1422655283.db2.gz NIBZAURKSIQKDT-UHFFFAOYSA-N 2 0 384.524 3.017 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000153652014 1422680462 /nfs/dbraw/zinc/68/04/62/1422680462.db2.gz VDUZJUOONSDVCT-OAQYLSRUSA-N 2 0 395.551 3.389 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000153961038 1422817407 /nfs/dbraw/zinc/81/74/07/1422817407.db2.gz DKWBKFLVUBSTEB-LJQANCHMSA-N 2 0 393.959 3.247 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000154052195 1422832247 /nfs/dbraw/zinc/83/22/47/1422832247.db2.gz WEXJIXIGHDVTCZ-NRFANRHFSA-N 2 0 384.524 3.190 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154530537 1422906285 /nfs/dbraw/zinc/90/62/85/1422906285.db2.gz BPDARNFGRWLNBV-MRXNPFEDSA-N 2 0 383.964 3.426 20 0 GGADRP Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154605879 1422958643 /nfs/dbraw/zinc/95/86/43/1422958643.db2.gz YOQYSYCNTSLYJW-SFHVURJKSA-N 2 0 376.545 3.179 20 0 GGADRP Clc1ccccc1N1CCN(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000154659620 1422989257 /nfs/dbraw/zinc/98/92/57/1422989257.db2.gz UJYBLTFXMOTEEI-UHFFFAOYSA-N 2 0 391.003 3.316 20 0 GGADRP CCCCNC(=O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000154716859 1423010409 /nfs/dbraw/zinc/01/04/09/1423010409.db2.gz ZYBUXYKGWJWFOS-UHFFFAOYSA-N 2 0 387.568 3.290 20 0 GGADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154736578 1423016584 /nfs/dbraw/zinc/01/65/84/1423016584.db2.gz GNXLLESVOBTQCL-IRLDBZIGSA-N 2 0 390.568 3.017 20 0 GGADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154736813 1423016623 /nfs/dbraw/zinc/01/66/23/1423016623.db2.gz KZJOGOLZKWKSDQ-YADHBBJMSA-N 2 0 390.568 3.017 20 0 GGADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154736468 1423016651 /nfs/dbraw/zinc/01/66/51/1423016651.db2.gz GNXLLESVOBTQCL-UNMCSNQZSA-N 2 0 390.568 3.017 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154864884 1423060262 /nfs/dbraw/zinc/06/02/62/1423060262.db2.gz LTWUPQJLHBQWLZ-KRWDZBQOSA-N 2 0 389.565 3.286 20 0 GGADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154864989 1423060304 /nfs/dbraw/zinc/06/03/04/1423060304.db2.gz LTWUPQJLHBQWLZ-QGZVFWFLSA-N 2 0 389.565 3.286 20 0 GGADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154946642 1423088054 /nfs/dbraw/zinc/08/80/54/1423088054.db2.gz MYMOXAAJNNAECR-VXKWHMMOSA-N 2 0 384.568 3.483 20 0 GGADRP COc1ccc(C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000154971427 1423095810 /nfs/dbraw/zinc/09/58/10/1423095810.db2.gz QFNKQOUQRVKCQL-NTKDMRAZSA-N 2 0 397.563 3.213 20 0 GGADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000155070758 1423145145 /nfs/dbraw/zinc/14/51/45/1423145145.db2.gz NSWYBTMONLKEMI-HZPDHXFCSA-N 2 0 388.581 3.414 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000155092327 1423157089 /nfs/dbraw/zinc/15/70/89/1423157089.db2.gz CJHGFZBZMDYFBS-STQMWFEESA-N 2 0 393.425 3.176 20 0 GGADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Br)ccc1O ZINC000155124028 1423181925 /nfs/dbraw/zinc/18/19/25/1423181925.db2.gz YRAAQOAWYLTSSX-QGZVFWFLSA-N 2 0 384.362 3.223 20 0 GGADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155142804 1423193259 /nfs/dbraw/zinc/19/32/59/1423193259.db2.gz UZCJKHXIVGVVOP-RHSMWYFYSA-N 2 0 384.362 3.221 20 0 GGADRP COc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000155496662 1423387479 /nfs/dbraw/zinc/38/74/79/1423387479.db2.gz DRLXVMVSUGIYKF-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619216 1423450144 /nfs/dbraw/zinc/45/01/44/1423450144.db2.gz CGVUYZOKSYEPQE-ICSRJNTNSA-N 2 0 384.568 3.378 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155618975 1423450181 /nfs/dbraw/zinc/45/01/81/1423450181.db2.gz CGVUYZOKSYEPQE-AZUAARDMSA-N 2 0 384.568 3.378 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000155626756 1423454925 /nfs/dbraw/zinc/45/49/25/1423454925.db2.gz UNCPJNGMHOEQOZ-GOSISDBHSA-N 2 0 384.568 3.468 20 0 GGADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155657964 1423471590 /nfs/dbraw/zinc/47/15/90/1423471590.db2.gz PCHAVHJSECNBQZ-YJBOKZPZSA-N 2 0 398.389 3.469 20 0 GGADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155657845 1423471663 /nfs/dbraw/zinc/47/16/63/1423471663.db2.gz PCHAVHJSECNBQZ-CRAIPNDOSA-N 2 0 398.389 3.469 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155662838 1423474086 /nfs/dbraw/zinc/47/40/86/1423474086.db2.gz RQNRNHAGHOFOMC-XXBNENTESA-N 2 0 392.547 3.388 20 0 GGADRP C[N@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCSC1 ZINC000155666662 1423475939 /nfs/dbraw/zinc/47/59/39/1423475939.db2.gz USYNOOJSCNLMLF-GOSISDBHSA-N 2 0 396.000 3.106 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000155672740 1423480066 /nfs/dbraw/zinc/48/00/66/1423480066.db2.gz MYCJKPSOONNQGZ-PGRDOPGGSA-N 2 0 380.536 3.416 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCC(=O)Nc3c(C)cc(C)cc3C)C2)CC1 ZINC000155684294 1423485942 /nfs/dbraw/zinc/48/59/42/1423485942.db2.gz VWTWFRJXDKRPAD-OAQYLSRUSA-N 2 0 386.584 3.042 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000155700301 1423494351 /nfs/dbraw/zinc/49/43/51/1423494351.db2.gz FWZWWJUSJFZVJW-LVCYWYKZSA-N 2 0 378.992 3.170 20 0 GGADRP C[C@@H]([NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155705909 1423496765 /nfs/dbraw/zinc/49/67/65/1423496765.db2.gz KTMJDCBVHOPATO-GOSISDBHSA-N 2 0 378.992 3.172 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000155725393 1423505381 /nfs/dbraw/zinc/50/53/81/1423505381.db2.gz QQAAKGYOJFRMLP-KDURUIRLSA-N 2 0 395.547 3.287 20 0 GGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000155774114 1423528653 /nfs/dbraw/zinc/52/86/53/1423528653.db2.gz YSKNEYKVJDIKPE-WBVHZDCISA-N 2 0 385.346 3.432 20 0 GGADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000155860465 1423565518 /nfs/dbraw/zinc/56/55/18/1423565518.db2.gz VVXZJIPKKWDUQH-FQEVSTJZSA-N 2 0 375.582 3.116 20 0 GGADRP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000156262167 1423748104 /nfs/dbraw/zinc/74/81/04/1423748104.db2.gz WUEZINWFDMAZGY-NHCUHLMSSA-N 2 0 378.605 3.403 20 0 GGADRP CC1CC[NH+](CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156333041 1423785027 /nfs/dbraw/zinc/78/50/27/1423785027.db2.gz UAKUWUTXKKRGJZ-IRLDBZIGSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000156337442 1423787858 /nfs/dbraw/zinc/78/78/58/1423787858.db2.gz STPXEFOSJUHGPP-KCZVDYSFSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)ccc1OC ZINC000179982771 1429674796 /nfs/dbraw/zinc/67/47/96/1429674796.db2.gz QOYVBXUIJGIBMA-FXAWDEMLSA-N 2 0 392.540 3.110 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156785196 1423864393 /nfs/dbraw/zinc/86/43/93/1423864393.db2.gz BQBDMDYMMWDMGG-UGKGYDQZSA-N 2 0 384.568 3.093 20 0 GGADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156797834 1423866682 /nfs/dbraw/zinc/86/66/82/1423866682.db2.gz XBZUQIMNUBBZNQ-IBGZPJMESA-N 2 0 394.629 3.008 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)c2)C1 ZINC000156891716 1423881440 /nfs/dbraw/zinc/88/14/40/1423881440.db2.gz ODMHNXQHLRSAKT-BJKOFHAPSA-N 2 0 391.559 3.495 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)c2)C1 ZINC000156891597 1423881556 /nfs/dbraw/zinc/88/15/56/1423881556.db2.gz ODMHNXQHLRSAKT-ZEQRLZLVSA-N 2 0 391.559 3.495 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906917 1423883676 /nfs/dbraw/zinc/88/36/76/1423883676.db2.gz LEXPZHGVMGDJJZ-REWPJTCUSA-N 2 0 393.531 3.170 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000156905967 1423883686 /nfs/dbraw/zinc/88/36/86/1423883686.db2.gz OTAHMXLMVZJFFK-JXFKEZNVSA-N 2 0 399.510 3.382 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000156906102 1423883784 /nfs/dbraw/zinc/88/37/84/1423883784.db2.gz OTAHMXLMVZJFFK-UZLBHIALSA-N 2 0 399.510 3.382 20 0 GGADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911512 1423884772 /nfs/dbraw/zinc/88/47/72/1423884772.db2.gz FWVLCBNMXSOIPA-FRGLQRNOSA-N 2 0 377.532 3.407 20 0 GGADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156920665 1423885776 /nfs/dbraw/zinc/88/57/76/1423885776.db2.gz XHWBOCZWMTVOED-APWZRJJASA-N 2 0 377.598 3.394 20 0 GGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000157046466 1423910196 /nfs/dbraw/zinc/91/01/96/1423910196.db2.gz CNTAKIWSMLLNGS-RZUBCFFCSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000157046755 1423910471 /nfs/dbraw/zinc/91/04/71/1423910471.db2.gz CNTAKIWSMLLNGS-URVUXULASA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157175099 1423944901 /nfs/dbraw/zinc/94/49/01/1423944901.db2.gz DSSBYZJYDYNMDJ-PMACEKPBSA-N 2 0 376.520 3.088 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157375726 1423998021 /nfs/dbraw/zinc/99/80/21/1423998021.db2.gz FPZRXXOUTBARIE-OAQYLSRUSA-N 2 0 382.556 3.461 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000157379358 1423998908 /nfs/dbraw/zinc/99/89/08/1423998908.db2.gz KAXYPRMVACOSBC-IBGZPJMESA-N 2 0 389.588 3.249 20 0 GGADRP C[NH+](C)[C@H](CNc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ncn1)c1ccco1 ZINC000157532309 1424031585 /nfs/dbraw/zinc/03/15/85/1424031585.db2.gz YAPVWVXZDVUTBR-IYBDPMFKSA-N 2 0 384.484 3.092 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000157804358 1424091575 /nfs/dbraw/zinc/09/15/75/1424091575.db2.gz WIADMXQXUAHTOB-HSZRJFAPSA-N 2 0 385.527 3.353 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000157817890 1424094764 /nfs/dbraw/zinc/09/47/64/1424094764.db2.gz ONGFAACYSQYHPL-HXUWFJFHSA-N 2 0 386.584 3.237 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000157927802 1424121495 /nfs/dbraw/zinc/12/14/95/1424121495.db2.gz OYOWWMMMMXAEBX-SJORKVTESA-N 2 0 382.570 3.261 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccco1 ZINC000157928565 1424122088 /nfs/dbraw/zinc/12/20/88/1424122088.db2.gz GLGNHNWOOLCIET-RBUKOAKNSA-N 2 0 376.545 3.322 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1OC ZINC000158060960 1424153484 /nfs/dbraw/zinc/15/34/84/1424153484.db2.gz FSFHADFZTKFPBR-HNNXBMFYSA-N 2 0 382.936 3.228 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000158069991 1424156637 /nfs/dbraw/zinc/15/66/37/1424156637.db2.gz OQCGSGGKVLPVJX-QGZVFWFLSA-N 2 0 390.528 3.074 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(COC(C)C)c1 ZINC000158071913 1424157293 /nfs/dbraw/zinc/15/72/93/1424157293.db2.gz PDFLRLYYCJGAGE-NRFANRHFSA-N 2 0 390.572 3.491 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(COC(C)C)c1 ZINC000158071777 1424157936 /nfs/dbraw/zinc/15/79/36/1424157936.db2.gz PDFLRLYYCJGAGE-OAQYLSRUSA-N 2 0 390.572 3.491 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000158172103 1424186136 /nfs/dbraw/zinc/18/61/36/1424186136.db2.gz GDNPHAHIHLBNJN-LJQANCHMSA-N 2 0 393.597 3.389 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1OC(F)F ZINC000158177937 1424187712 /nfs/dbraw/zinc/18/77/12/1424187712.db2.gz LLZXJPAJDYWKCD-INIZCTEOSA-N 2 0 398.498 3.476 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000158196539 1424191813 /nfs/dbraw/zinc/19/18/13/1424191813.db2.gz SDGRLIVKJFFPOB-PKOBYXMFSA-N 2 0 383.577 3.255 20 0 GGADRP C(CCN1CCC[C@@H]([NH+]2CCCC2)C1)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158303631 1424222082 /nfs/dbraw/zinc/22/20/82/1424222082.db2.gz GVYHLHXQYUGJRA-ZRZAMGCNSA-N 2 0 376.633 3.277 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158457708 1424260744 /nfs/dbraw/zinc/26/07/44/1424260744.db2.gz ZIVVPSRKDVJALF-AZUAARDMSA-N 2 0 388.556 3.355 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158457436 1424260900 /nfs/dbraw/zinc/26/09/00/1424260900.db2.gz ZIVVPSRKDVJALF-UYAOXDASSA-N 2 0 388.556 3.355 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000158474351 1424267545 /nfs/dbraw/zinc/26/75/45/1424267545.db2.gz VBVGXYNCFKIWNY-UXHICEINSA-N 2 0 388.556 3.385 20 0 GGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000158518703 1424277437 /nfs/dbraw/zinc/27/74/37/1424277437.db2.gz DHZGHZFOCDTGIH-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP CN(c1ccccc1C[NH+]1CCN(c2ccccc2O)CC1)C1CC[NH+](C)CC1 ZINC000158542495 1424285707 /nfs/dbraw/zinc/28/57/07/1424285707.db2.gz HTCDTEBHRNBPGF-UHFFFAOYSA-N 2 0 394.563 3.245 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000158582902 1424295953 /nfs/dbraw/zinc/29/59/53/1424295953.db2.gz ZELZFCBMNMDLBK-GOSISDBHSA-N 2 0 378.586 3.449 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000158731571 1424329293 /nfs/dbraw/zinc/32/92/93/1424329293.db2.gz XLWWEAZKSAXYTL-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000158731748 1424329416 /nfs/dbraw/zinc/32/94/16/1424329416.db2.gz DLLIMKMUWQJXGA-UHFFFAOYSA-N 2 0 396.526 3.303 20 0 GGADRP COCCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000159096139 1424416437 /nfs/dbraw/zinc/41/64/37/1424416437.db2.gz YKKACDDBCUMVFR-UHFFFAOYSA-N 2 0 379.976 3.395 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000159135895 1424425722 /nfs/dbraw/zinc/42/57/22/1424425722.db2.gz HYOAVGQOGODBQX-QGZVFWFLSA-N 2 0 384.524 3.010 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(OC(F)F)c1 ZINC000159157464 1424431000 /nfs/dbraw/zinc/43/10/00/1424431000.db2.gz FXVWQJYYQLNZNS-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000159188716 1424438847 /nfs/dbraw/zinc/43/88/47/1424438847.db2.gz JNOLCVOOPTUQFM-SFHVURJKSA-N 2 0 386.540 3.092 20 0 GGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000159336806 1424488892 /nfs/dbraw/zinc/48/88/92/1424488892.db2.gz WYTDCQQOTQOWSC-IBGZPJMESA-N 2 0 380.536 3.113 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159341098 1424489960 /nfs/dbraw/zinc/48/99/60/1424489960.db2.gz PXLDHWAASLTEJU-UHFFFAOYSA-N 2 0 394.563 3.439 20 0 GGADRP c1ccc(C[NH+]2CCN(CC[NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000159344996 1424491463 /nfs/dbraw/zinc/49/14/63/1424491463.db2.gz DGDHBWQGUUMYGE-UHFFFAOYSA-N 2 0 378.564 3.063 20 0 GGADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000159608288 1424517689 /nfs/dbraw/zinc/51/76/89/1424517689.db2.gz FIRUFSVVDSLEEX-HNNXBMFYSA-N 2 0 379.570 3.186 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000180096582 1429735884 /nfs/dbraw/zinc/73/58/84/1429735884.db2.gz CWDARZMOEFGRLI-FQEVSTJZSA-N 2 0 377.891 3.054 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000161596938 1424720485 /nfs/dbraw/zinc/72/04/85/1424720485.db2.gz IDQGXVODNRJPFU-OAQYLSRUSA-N 2 0 387.568 3.326 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162203091 1424826134 /nfs/dbraw/zinc/82/61/34/1424826134.db2.gz NPSKYHXTPIEJGC-IBGZPJMESA-N 2 0 382.552 3.337 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000162517185 1424860755 /nfs/dbraw/zinc/86/07/55/1424860755.db2.gz YUJVIAUWEKPHHZ-UHFFFAOYSA-N 2 0 387.518 3.346 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000162512525 1424860798 /nfs/dbraw/zinc/86/07/98/1424860798.db2.gz DRRFJKRMGYTROF-MSOLQXFVSA-N 2 0 378.586 3.162 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000162551236 1424865084 /nfs/dbraw/zinc/86/50/84/1424865084.db2.gz XCXGREHVURQNDY-UHFFFAOYSA-N 2 0 381.564 3.424 20 0 GGADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745599 1424887429 /nfs/dbraw/zinc/88/74/29/1424887429.db2.gz ARBMFENRHAFLAL-QGZVFWFLSA-N 2 0 375.538 3.231 20 0 GGADRP Cc1nc(CN2CCC(C[NH2+]C3CCN(Cc4cccnc4)CC3)CC2)oc1C ZINC000162790777 1424890491 /nfs/dbraw/zinc/89/04/91/1424890491.db2.gz XRLPLFSXPKVLOA-UHFFFAOYSA-N 2 0 397.567 3.153 20 0 GGADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000162841587 1424895704 /nfs/dbraw/zinc/89/57/04/1424895704.db2.gz GQNCKGITMVNAPO-NRFANRHFSA-N 2 0 399.583 3.204 20 0 GGADRP CC(C)[NH+](CCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000162971270 1424915965 /nfs/dbraw/zinc/91/59/65/1424915965.db2.gz FQDRMEGISIMAHP-UHFFFAOYSA-N 2 0 389.588 3.448 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1F ZINC000163507552 1425009430 /nfs/dbraw/zinc/00/94/30/1425009430.db2.gz QXKQCRSZCSGJBX-HNNXBMFYSA-N 2 0 379.520 3.112 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000163537196 1425014017 /nfs/dbraw/zinc/01/40/17/1425014017.db2.gz ORKKQRSITQTYLO-FQEVSTJZSA-N 2 0 389.609 3.233 20 0 GGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163539598 1425014536 /nfs/dbraw/zinc/01/45/36/1425014536.db2.gz RAZQSYBCZXXHRK-OAQYLSRUSA-N 2 0 387.568 3.289 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000163555900 1425017543 /nfs/dbraw/zinc/01/75/43/1425017543.db2.gz IOYNTGZSFDPAGE-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000163578978 1425020033 /nfs/dbraw/zinc/02/00/33/1425020033.db2.gz KGSVZFLIPUCUEQ-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1Br ZINC000163581438 1425020864 /nfs/dbraw/zinc/02/08/64/1425020864.db2.gz ZZUZRVHWKBOVLW-UHFFFAOYSA-N 2 0 389.341 3.194 20 0 GGADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000163601124 1425023336 /nfs/dbraw/zinc/02/33/36/1425023336.db2.gz ARHDNFIUEZTIJV-QGZVFWFLSA-N 2 0 381.586 3.003 20 0 GGADRP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694787 1425034781 /nfs/dbraw/zinc/03/47/81/1425034781.db2.gz WIPFCARUUGYCHT-RDPSFJRHSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000163707291 1425037113 /nfs/dbraw/zinc/03/71/13/1425037113.db2.gz CJQBKWRJMGRQOO-HXUWFJFHSA-N 2 0 397.563 3.310 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000163789257 1425044041 /nfs/dbraw/zinc/04/40/41/1425044041.db2.gz KDZMWTWSEMNGMQ-AVRDEDQJSA-N 2 0 380.536 3.068 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000163813659 1425047131 /nfs/dbraw/zinc/04/71/31/1425047131.db2.gz KWEIAHOISZKIJG-OAQYLSRUSA-N 2 0 387.572 3.060 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000163860108 1425051468 /nfs/dbraw/zinc/05/14/68/1425051468.db2.gz BQNJVFICMCSZLY-NRFANRHFSA-N 2 0 383.923 3.308 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000163957335 1425062191 /nfs/dbraw/zinc/06/21/91/1425062191.db2.gz XZXMNKVCDZTIAM-AVRDEDQJSA-N 2 0 380.536 3.068 20 0 GGADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CCOC1 ZINC000163968528 1425063415 /nfs/dbraw/zinc/06/34/15/1425063415.db2.gz ZMLYIQMNBNCOSJ-UGKGYDQZSA-N 2 0 376.541 3.081 20 0 GGADRP C[N@H+](CCOc1cccc(C[NH2+]C2Cc3ccccc3C2)c1)C1CCOCC1 ZINC000163966129 1425064056 /nfs/dbraw/zinc/06/40/56/1425064056.db2.gz AQHGFVAXDQMOHR-UHFFFAOYSA-N 2 0 380.532 3.433 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1cccc(OC)c1 ZINC000163968814 1425064109 /nfs/dbraw/zinc/06/41/09/1425064109.db2.gz PQAOGNLHERSWML-VXKWHMMOSA-N 2 0 381.520 3.081 20 0 GGADRP O=C(CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163994204 1425066341 /nfs/dbraw/zinc/06/63/41/1425066341.db2.gz NKQUTRRXRANPLB-UHFFFAOYSA-N 2 0 383.458 3.129 20 0 GGADRP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000164056369 1425072656 /nfs/dbraw/zinc/07/26/56/1425072656.db2.gz COVPQCRYOLHDSA-YJBOKZPZSA-N 2 0 381.561 3.211 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000164465981 1425115392 /nfs/dbraw/zinc/11/53/92/1425115392.db2.gz YANVNSCECUGCJC-UHFFFAOYSA-N 2 0 393.597 3.002 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164520434 1425120108 /nfs/dbraw/zinc/12/01/08/1425120108.db2.gz JUVNTTUFSGOHEW-SJLPKXTDSA-N 2 0 377.529 3.287 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164520334 1425120296 /nfs/dbraw/zinc/12/02/96/1425120296.db2.gz JUVNTTUFSGOHEW-FUHWJXTLSA-N 2 0 377.529 3.287 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000164585589 1425126383 /nfs/dbraw/zinc/12/63/83/1425126383.db2.gz VPBPGKLKJDVROS-SFHVURJKSA-N 2 0 377.532 3.174 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000164815744 1425144592 /nfs/dbraw/zinc/14/45/92/1425144592.db2.gz DJNQGVQGNCNAIA-HXUWFJFHSA-N 2 0 389.927 3.377 20 0 GGADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000165210452 1425170627 /nfs/dbraw/zinc/17/06/27/1425170627.db2.gz XRGXAOPNHNDUBF-UHFFFAOYSA-N 2 0 382.552 3.166 20 0 GGADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165297476 1425174287 /nfs/dbraw/zinc/17/42/87/1425174287.db2.gz QFWIPKSDYZPZJO-HXUWFJFHSA-N 2 0 381.520 3.038 20 0 GGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000165345836 1425176278 /nfs/dbraw/zinc/17/62/78/1425176278.db2.gz VAFLBNPSYZAJIF-HSZRJFAPSA-N 2 0 378.564 3.200 20 0 GGADRP CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000165578981 1425186032 /nfs/dbraw/zinc/18/60/32/1425186032.db2.gz VCYIYNJHOQLCOC-GOSISDBHSA-N 2 0 395.473 3.432 20 0 GGADRP C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579781 1425186339 /nfs/dbraw/zinc/18/63/39/1425186339.db2.gz HRFHGQVQMILADD-YJBOKZPZSA-N 2 0 384.490 3.030 20 0 GGADRP CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000165596755 1425187336 /nfs/dbraw/zinc/18/73/36/1425187336.db2.gz AXRBGCHZFZXLON-MAUKXSAKSA-N 2 0 385.474 3.362 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CN1C1CC1 ZINC000165596985 1425187381 /nfs/dbraw/zinc/18/73/81/1425187381.db2.gz SHEVDVRMPAJPNZ-QAPCUYQASA-N 2 0 396.501 3.172 20 0 GGADRP CC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000165596621 1425187456 /nfs/dbraw/zinc/18/74/56/1425187456.db2.gz AXRBGCHZFZXLON-YJBOKZPZSA-N 2 0 385.474 3.362 20 0 GGADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165667444 1425191545 /nfs/dbraw/zinc/19/15/45/1425191545.db2.gz FFBKSUZSQDJAOV-GHTZIAJQSA-N 2 0 387.568 3.459 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955343 1425203011 /nfs/dbraw/zinc/20/30/11/1425203011.db2.gz WEXYWENCSQWYAX-FUHWJXTLSA-N 2 0 383.964 3.184 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955230 1425203136 /nfs/dbraw/zinc/20/31/36/1425203136.db2.gz WEXYWENCSQWYAX-WMZOPIPTSA-N 2 0 383.964 3.184 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000166007586 1425204963 /nfs/dbraw/zinc/20/49/63/1425204963.db2.gz TXJSUFSQABOLCU-RDTXWAMCSA-N 2 0 379.936 3.237 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)c2)CC1 ZINC000166421218 1425213156 /nfs/dbraw/zinc/21/31/56/1425213156.db2.gz WOEWFYZLUMGBSV-QHCPKHFHSA-N 2 0 377.532 3.249 20 0 GGADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)Cc2ccccc2C1 ZINC000166675050 1425215238 /nfs/dbraw/zinc/21/52/38/1425215238.db2.gz TTZJEVLIOBFVHS-UHFFFAOYSA-N 2 0 377.532 3.175 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2F)CC1 ZINC000167431011 1425226118 /nfs/dbraw/zinc/22/61/18/1425226118.db2.gz CSTOGQLHLVFSPP-RYGJVYDSSA-N 2 0 388.531 3.215 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000167544504 1425227244 /nfs/dbraw/zinc/22/72/44/1425227244.db2.gz BYJBROYEWCWUPE-OFNKIYASSA-N 2 0 391.559 3.477 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948076 1425240392 /nfs/dbraw/zinc/24/03/92/1425240392.db2.gz MXCYGJLQYMIXCL-NRFANRHFSA-N 2 0 381.564 3.394 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897631 1425240882 /nfs/dbraw/zinc/24/08/82/1425240882.db2.gz IVZNSHYGQYZOCB-IBGZPJMESA-N 2 0 387.593 3.456 20 0 GGADRP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000168953637 1425240956 /nfs/dbraw/zinc/24/09/56/1425240956.db2.gz NGAUQFHOXTYNCW-HNAYVOBHSA-N 2 0 397.485 3.422 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948177 1425241148 /nfs/dbraw/zinc/24/11/48/1425241148.db2.gz MXCYGJLQYMIXCL-OAQYLSRUSA-N 2 0 381.564 3.394 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169140145 1425243904 /nfs/dbraw/zinc/24/39/04/1425243904.db2.gz RUENYUQZGAIKEY-AYBZRNKSSA-N 2 0 383.458 3.347 20 0 GGADRP c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170739849 1425323839 /nfs/dbraw/zinc/32/38/39/1425323839.db2.gz MOGIAZNYITZSGC-PSWAGMNNSA-N 2 0 382.596 3.027 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756293 1425328969 /nfs/dbraw/zinc/32/89/69/1425328969.db2.gz BRPGWDWQFWKDAC-RTBURBONSA-N 2 0 390.597 3.401 20 0 GGADRP c1cc(COc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)ccn1 ZINC000170784180 1425342501 /nfs/dbraw/zinc/34/25/01/1425342501.db2.gz SXVYFDBGNNMKKM-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000170899528 1425385172 /nfs/dbraw/zinc/38/51/72/1425385172.db2.gz KGCFXKYMVXZDOU-HXUWFJFHSA-N 2 0 376.589 3.014 20 0 GGADRP CCCO[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000170989145 1425425486 /nfs/dbraw/zinc/42/54/86/1425425486.db2.gz PYXUDXGYVXHSLC-JOCHJYFZSA-N 2 0 387.568 3.180 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000171064553 1425463561 /nfs/dbraw/zinc/46/35/61/1425463561.db2.gz GAUANLZBHBNODI-LJQANCHMSA-N 2 0 376.545 3.241 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000171127213 1425495659 /nfs/dbraw/zinc/49/56/59/1425495659.db2.gz PCRKHOWLAPMPCZ-SFHVURJKSA-N 2 0 379.508 3.449 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000171138948 1425502922 /nfs/dbraw/zinc/50/29/22/1425502922.db2.gz UJGWBICMWMUFKG-OAQYLSRUSA-N 2 0 380.536 3.434 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171189037 1425530602 /nfs/dbraw/zinc/53/06/02/1425530602.db2.gz LGBIPCVWNPMJDO-UHFFFAOYSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000171247593 1425565489 /nfs/dbraw/zinc/56/54/89/1425565489.db2.gz XXSHLJNYOUXPCX-ROUUACIJSA-N 2 0 388.556 3.101 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171296520 1425601609 /nfs/dbraw/zinc/60/16/09/1425601609.db2.gz NSOPXBDJMMFAOR-UHFFFAOYSA-N 2 0 386.584 3.416 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304585 1425605571 /nfs/dbraw/zinc/60/55/71/1425605571.db2.gz IGGPOXUIFIBKLY-IRXDYDNUSA-N 2 0 393.959 3.490 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171612054 1425758361 /nfs/dbraw/zinc/75/83/61/1425758361.db2.gz XSUISMLOXMPCDA-HSZRJFAPSA-N 2 0 398.595 3.353 20 0 GGADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000171612077 1425758515 /nfs/dbraw/zinc/75/85/15/1425758515.db2.gz YSBPIKPGNFZLGF-QFIPXVFZSA-N 2 0 386.584 3.113 20 0 GGADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656336 1425777780 /nfs/dbraw/zinc/77/77/80/1425777780.db2.gz QRLBQRNJFKUIBU-AWEZNQCLSA-N 2 0 387.446 3.036 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000171658199 1425778404 /nfs/dbraw/zinc/77/84/04/1425778404.db2.gz ZTLFEAHOOWPXPA-UHFFFAOYSA-N 2 0 389.584 3.143 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000172085399 1425893482 /nfs/dbraw/zinc/89/34/82/1425893482.db2.gz SEKWCCKSSCXIBX-QHCPKHFHSA-N 2 0 395.547 3.326 20 0 GGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000172113464 1425899961 /nfs/dbraw/zinc/89/99/61/1425899961.db2.gz PSOCDBGVIAXHAW-NRFANRHFSA-N 2 0 388.600 3.359 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000172123674 1425904687 /nfs/dbraw/zinc/90/46/87/1425904687.db2.gz LSHGMFSSUXITFN-GOSISDBHSA-N 2 0 384.568 3.386 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000172184885 1425938575 /nfs/dbraw/zinc/93/85/75/1425938575.db2.gz WEUROYYPABNYKM-SFHVURJKSA-N 2 0 383.458 3.171 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000172190077 1425939535 /nfs/dbraw/zinc/93/95/35/1425939535.db2.gz UTUHMEYGHJQUDQ-UGKGYDQZSA-N 2 0 384.568 3.482 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000172324839 1425998495 /nfs/dbraw/zinc/99/84/95/1425998495.db2.gz SKMARGLFDCCXJK-UHFFFAOYSA-N 2 0 392.503 3.284 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC(F)F)cc1 ZINC000172418238 1426034303 /nfs/dbraw/zinc/03/43/03/1426034303.db2.gz IRGIFHGHHJUTMA-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC(F)F)cc1 ZINC000172418232 1426034318 /nfs/dbraw/zinc/03/43/18/1426034318.db2.gz IRGIFHGHHJUTMA-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000172458946 1426048419 /nfs/dbraw/zinc/04/84/19/1426048419.db2.gz IIQDNFLSLWTNFH-UHFFFAOYSA-N 2 0 388.556 3.403 20 0 GGADRP C(=C/CN1CCC[N@@H+](C2CCCC2)CC1)\CN1CCC[NH+](C2CCCC2)CC1 ZINC000172585860 1426099175 /nfs/dbraw/zinc/09/91/75/1426099175.db2.gz NEXJPFVDVHEKQU-AATRIKPKSA-N 2 0 388.644 3.443 20 0 GGADRP C(CCN1CC[NH+](C2CCCC2)CC1)CCN1CC[NH+](C2CCCC2)CC1 ZINC000172649557 1426127139 /nfs/dbraw/zinc/12/71/39/1426127139.db2.gz QLMVSSKWBDIHJM-UHFFFAOYSA-N 2 0 376.633 3.277 20 0 GGADRP CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000172984127 1426293414 /nfs/dbraw/zinc/29/34/14/1426293414.db2.gz QSTXYIBCCBUMCP-UHFFFAOYSA-N 2 0 389.584 3.390 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000172984184 1426294809 /nfs/dbraw/zinc/29/48/09/1426294809.db2.gz MTKPHCJIKZYZCV-UHFFFAOYSA-N 2 0 397.510 3.204 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000173141425 1426362119 /nfs/dbraw/zinc/36/21/19/1426362119.db2.gz QLPODJPFLHDVSZ-IBGZPJMESA-N 2 0 376.545 3.355 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000173290487 1426469276 /nfs/dbraw/zinc/46/92/76/1426469276.db2.gz PMEOZAKEEQETDP-SFHVURJKSA-N 2 0 388.556 3.040 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173407439 1426590574 /nfs/dbraw/zinc/59/05/74/1426590574.db2.gz ILRUSESPLZCCGB-LJQANCHMSA-N 2 0 388.556 3.150 20 0 GGADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173411260 1426594887 /nfs/dbraw/zinc/59/48/87/1426594887.db2.gz SPWNAYCVPRWPIU-SFHVURJKSA-N 2 0 381.586 3.244 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415893 1426598516 /nfs/dbraw/zinc/59/85/16/1426598516.db2.gz APEALCAWCLEXEH-ROUUACIJSA-N 2 0 378.586 3.258 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000173416740 1426599839 /nfs/dbraw/zinc/59/98/39/1426599839.db2.gz JLMMMDIDAMSHSJ-MSOLQXFVSA-N 2 0 378.586 3.401 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC)cc1Cl ZINC000173494846 1426666439 /nfs/dbraw/zinc/66/64/39/1426666439.db2.gz QNRIYNHHRLVXEU-OAHLLOKOSA-N 2 0 395.931 3.104 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570911 1426738793 /nfs/dbraw/zinc/73/87/93/1426738793.db2.gz VLWMVKSIKDOLFV-UXHICEINSA-N 2 0 387.568 3.267 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173912960 1426890018 /nfs/dbraw/zinc/89/00/18/1426890018.db2.gz SSUFHFFIUKSDSD-GOSISDBHSA-N 2 0 398.555 3.141 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC000173928539 1426896086 /nfs/dbraw/zinc/89/60/86/1426896086.db2.gz RYSQPFRHDTVYSM-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000173947510 1426904823 /nfs/dbraw/zinc/90/48/23/1426904823.db2.gz CWOZNBNXCYBXGJ-UHFFFAOYSA-N 2 0 379.932 3.245 20 0 GGADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000173957553 1426908959 /nfs/dbraw/zinc/90/89/59/1426908959.db2.gz QDFTUYLJZOWWPG-UHFFFAOYSA-N 2 0 397.922 3.385 20 0 GGADRP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961882 1426912187 /nfs/dbraw/zinc/91/21/87/1426912187.db2.gz CCODRBCREWIYBV-NRFANRHFSA-N 2 0 398.547 3.156 20 0 GGADRP COc1cccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173980440 1426923744 /nfs/dbraw/zinc/92/37/44/1426923744.db2.gz UBYJQPYAZPTNSX-FQEVSTJZSA-N 2 0 381.520 3.478 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174017801 1426945801 /nfs/dbraw/zinc/94/58/01/1426945801.db2.gz FPCLDPUAZNTOII-QHCPKHFHSA-N 2 0 392.547 3.217 20 0 GGADRP Cn1cc(N2CCC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCCCCC3)C2=O)cn1 ZINC000174087388 1426995108 /nfs/dbraw/zinc/99/51/08/1426995108.db2.gz DOMMUXBNJJIQJW-QFIPXVFZSA-N 2 0 395.551 3.081 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCC(F)(F)F ZINC000174154976 1427024276 /nfs/dbraw/zinc/02/42/76/1427024276.db2.gz OGYCOOFGCIQQQX-CQSZACIVSA-N 2 0 383.414 3.068 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174157533 1427024466 /nfs/dbraw/zinc/02/44/66/1427024466.db2.gz QKGOZJJJFDKKKT-YADHBBJMSA-N 2 0 386.584 3.067 20 0 GGADRP CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174185283 1427037822 /nfs/dbraw/zinc/03/78/22/1427037822.db2.gz GLYXPUWCCKABNU-QFIPXVFZSA-N 2 0 384.568 3.167 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000174216744 1427055276 /nfs/dbraw/zinc/05/52/76/1427055276.db2.gz FUBBZPPSZJIICQ-IFMALSPDSA-N 2 0 384.568 3.259 20 0 GGADRP Cn1ccnc1COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174237527 1427064485 /nfs/dbraw/zinc/06/44/85/1427064485.db2.gz LQQHWEVMXQPFON-UHFFFAOYSA-N 2 0 398.551 3.076 20 0 GGADRP CC(C)[NH+](CCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000174350450 1427115266 /nfs/dbraw/zinc/11/52/66/1427115266.db2.gz CMXJMRBZPYTNSD-PMACEKPBSA-N 2 0 396.620 3.026 20 0 GGADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398416 1427138240 /nfs/dbraw/zinc/13/82/40/1427138240.db2.gz OLAGETUGFMUXTD-HXUWFJFHSA-N 2 0 391.515 3.127 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403448 1427141881 /nfs/dbraw/zinc/14/18/81/1427141881.db2.gz KRWHTQPUCMTGTK-OAQYLSRUSA-N 2 0 377.532 3.420 20 0 GGADRP C[N@H+](CCC(=O)N1CCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403435 1427141937 /nfs/dbraw/zinc/14/19/37/1427141937.db2.gz KRWHTQPUCMTGTK-NRFANRHFSA-N 2 0 377.532 3.420 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000174455561 1427163665 /nfs/dbraw/zinc/16/36/65/1427163665.db2.gz KWOCVVQUDZGGAV-LJQANCHMSA-N 2 0 392.613 3.476 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000174460408 1427167382 /nfs/dbraw/zinc/16/73/82/1427167382.db2.gz SFVCHDVQAAXZBM-RBUKOAKNSA-N 2 0 392.613 3.476 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000174485368 1427176849 /nfs/dbraw/zinc/17/68/49/1427176849.db2.gz RAAXCUOCKOKDEZ-JOCHJYFZSA-N 2 0 384.568 3.215 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000174598560 1427249126 /nfs/dbraw/zinc/24/91/26/1427249126.db2.gz MRZJOBZJZYCJIP-LJQANCHMSA-N 2 0 387.572 3.085 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712857 1427324936 /nfs/dbraw/zinc/32/49/36/1427324936.db2.gz HFWIKQXYFIOPES-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000174805197 1427378119 /nfs/dbraw/zinc/37/81/19/1427378119.db2.gz OKTGDRFLWUNTHG-GOSISDBHSA-N 2 0 384.524 3.053 20 0 GGADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000174805211 1427378551 /nfs/dbraw/zinc/37/85/51/1427378551.db2.gz OKTGDRFLWUNTHG-SFHVURJKSA-N 2 0 384.524 3.053 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000174850486 1427405641 /nfs/dbraw/zinc/40/56/41/1427405641.db2.gz VMMPVFIYGDQRQM-IBGZPJMESA-N 2 0 387.568 3.123 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000174900790 1427435080 /nfs/dbraw/zinc/43/50/80/1427435080.db2.gz LVYKYDKQJKRULM-SFHVURJKSA-N 2 0 376.545 3.192 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)c2)C1 ZINC000175008943 1427494914 /nfs/dbraw/zinc/49/49/14/1427494914.db2.gz ZKXTZSVEYQXHEV-DENIHFKCSA-N 2 0 381.495 3.300 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000175011304 1427495866 /nfs/dbraw/zinc/49/58/66/1427495866.db2.gz OXUISJNFOVMLCH-HSZRJFAPSA-N 2 0 394.563 3.412 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000175250900 1427625485 /nfs/dbraw/zinc/62/54/85/1427625485.db2.gz QDLNPPSMUGRBIT-UHFFFAOYSA-N 2 0 397.966 3.438 20 0 GGADRP C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCCCC1 ZINC000175249199 1427625850 /nfs/dbraw/zinc/62/58/50/1427625850.db2.gz YDOSKFBNTQKYSY-UYAOXDASSA-N 2 0 385.552 3.355 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000175351829 1427699252 /nfs/dbraw/zinc/69/92/52/1427699252.db2.gz YURHHTQBZPFUPK-OAQYLSRUSA-N 2 0 386.584 3.270 20 0 GGADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000175404810 1427735751 /nfs/dbraw/zinc/73/57/51/1427735751.db2.gz WDASQGAZGNMXSU-KRWDZBQOSA-N 2 0 380.508 3.104 20 0 GGADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000175515548 1427800245 /nfs/dbraw/zinc/80/02/45/1427800245.db2.gz PABCALIRMOOFIO-UHFFFAOYSA-N 2 0 398.526 3.221 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000175569470 1427817989 /nfs/dbraw/zinc/81/79/89/1427817989.db2.gz PMDGDBMTDDVNPX-HBFSDRIKSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175588601 1427823792 /nfs/dbraw/zinc/82/37/92/1427823792.db2.gz HJIGQKZAYPZKHV-UHFFFAOYSA-N 2 0 398.595 3.400 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175632459 1427838391 /nfs/dbraw/zinc/83/83/91/1427838391.db2.gz STNZSXQEGHTJMS-KSEOMHKRSA-N 2 0 384.568 3.167 20 0 GGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000175636691 1427839906 /nfs/dbraw/zinc/83/99/06/1427839906.db2.gz JFDNXYGTVJCDLU-OAQYLSRUSA-N 2 0 384.568 3.357 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000175687888 1427857879 /nfs/dbraw/zinc/85/78/79/1427857879.db2.gz DMAUCICCZGEMNU-LJQANCHMSA-N 2 0 376.545 3.369 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000175712458 1427867544 /nfs/dbraw/zinc/86/75/44/1427867544.db2.gz FGJYJWBHPOPAIF-HXUWFJFHSA-N 2 0 388.556 3.431 20 0 GGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175754035 1427879355 /nfs/dbraw/zinc/87/93/55/1427879355.db2.gz VXYDKZMHGXNJNR-IBGZPJMESA-N 2 0 396.620 3.029 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175761750 1427882704 /nfs/dbraw/zinc/88/27/04/1427882704.db2.gz ZAWWIYBAVDGCAJ-UXHICEINSA-N 2 0 390.572 3.079 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175761788 1427882775 /nfs/dbraw/zinc/88/27/75/1427882775.db2.gz ZAWWIYBAVDGCAJ-WOJBJXKFSA-N 2 0 390.572 3.079 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000175767140 1427884733 /nfs/dbraw/zinc/88/47/33/1427884733.db2.gz CBWNYCRRNRGIPZ-NRFANRHFSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000175933875 1427981748 /nfs/dbraw/zinc/98/17/48/1427981748.db2.gz IPKDUSYBROSECR-FQEVSTJZSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000176012169 1428026647 /nfs/dbraw/zinc/02/66/47/1428026647.db2.gz BCSSPWGPMNWGMW-FQEVSTJZSA-N 2 0 386.584 3.413 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000176011699 1428026794 /nfs/dbraw/zinc/02/67/94/1428026794.db2.gz HSIILVMAMDORFD-UHFFFAOYSA-N 2 0 376.545 3.068 20 0 GGADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000176012385 1428026916 /nfs/dbraw/zinc/02/69/16/1428026916.db2.gz CCOZURRJIBQYII-UHFFFAOYSA-N 2 0 384.568 3.311 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CSC)cc1 ZINC000176012849 1428026953 /nfs/dbraw/zinc/02/69/53/1428026953.db2.gz JMDFAUGLNLXJRH-LJQANCHMSA-N 2 0 378.586 3.429 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176129091 1428101718 /nfs/dbraw/zinc/10/17/18/1428101718.db2.gz UZJMZEBCIXYLID-ROUUACIJSA-N 2 0 378.586 3.086 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000176189735 1428153552 /nfs/dbraw/zinc/15/35/52/1428153552.db2.gz LNHHLZOJEMMZAR-OAQYLSRUSA-N 2 0 396.620 3.076 20 0 GGADRP COc1ccc([C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C(C)C)cc1 ZINC000180179957 1429785469 /nfs/dbraw/zinc/78/54/69/1429785469.db2.gz FGFPDTHBBBIWDU-JOCHJYFZSA-N 2 0 383.536 3.474 20 0 GGADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CC3 ZINC000180266820 1429819219 /nfs/dbraw/zinc/81/92/19/1429819219.db2.gz QGFPMNRUGZROJX-IBGZPJMESA-N 2 0 389.547 3.270 20 0 GGADRP C[N@H+](CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000180291808 1429826634 /nfs/dbraw/zinc/82/66/34/1429826634.db2.gz CHJVAUSEOXXWTP-UHFFFAOYSA-N 2 0 387.572 3.252 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000180312243 1429833574 /nfs/dbraw/zinc/83/35/74/1429833574.db2.gz XKOCSEAXMFSBFJ-LPOKXYRGSA-N 2 0 383.577 3.301 20 0 GGADRP C[C@H]1CCC[C@](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000180358462 1429845338 /nfs/dbraw/zinc/84/53/38/1429845338.db2.gz SCOOWXPGNXGQND-AVRDEDQJSA-N 2 0 387.572 3.108 20 0 GGADRP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000180383571 1429852248 /nfs/dbraw/zinc/85/22/48/1429852248.db2.gz DGFCJBQHFRQQIW-UNMCSNQZSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180392346 1429854458 /nfs/dbraw/zinc/85/44/58/1429854458.db2.gz UJOPDAMSAOHFKI-IBGZPJMESA-N 2 0 387.572 3.204 20 0 GGADRP C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000180402098 1429858329 /nfs/dbraw/zinc/85/83/29/1429858329.db2.gz FGTWLNSZTIUCPE-GOSISDBHSA-N 2 0 389.588 3.306 20 0 GGADRP CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000180448923 1429871719 /nfs/dbraw/zinc/87/17/19/1429871719.db2.gz PNUSRXOJIXHDBU-QGZVFWFLSA-N 2 0 385.508 3.315 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000180622132 1429937995 /nfs/dbraw/zinc/93/79/95/1429937995.db2.gz IRCDJQCALBXOCG-LJQANCHMSA-N 2 0 376.545 3.211 20 0 GGADRP O=C1c2ccccc2C(=O)N1CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000180730278 1430005392 /nfs/dbraw/zinc/00/53/92/1430005392.db2.gz KFRVDIGJRCHYIR-UHFFFAOYSA-N 2 0 383.536 3.450 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180771352 1430030282 /nfs/dbraw/zinc/03/02/82/1430030282.db2.gz DRUNDAGREKHTTG-UZLBHIALSA-N 2 0 385.483 3.222 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180771328 1430030491 /nfs/dbraw/zinc/03/04/91/1430030491.db2.gz DRUNDAGREKHTTG-JXFKEZNVSA-N 2 0 385.483 3.222 20 0 GGADRP CCOc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccc1OC ZINC000180795475 1430045334 /nfs/dbraw/zinc/04/53/34/1430045334.db2.gz XGNLJVHJBNYQEQ-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000180796823 1430046030 /nfs/dbraw/zinc/04/60/30/1430046030.db2.gz WCQXAVJSOOVALC-UHFFFAOYSA-N 2 0 392.540 3.037 20 0 GGADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(-c2cccs2)n1 ZINC000180797673 1430046209 /nfs/dbraw/zinc/04/62/09/1430046209.db2.gz DHQLAHOCRGCHBW-UHFFFAOYSA-N 2 0 388.581 3.473 20 0 GGADRP COc1cc(-c2noc(CCCCC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)n2)ccc1O ZINC000180865406 1430076383 /nfs/dbraw/zinc/07/63/83/1430076383.db2.gz FBXKTNYYVGZLGL-RDJZCZTQSA-N 2 0 388.512 3.236 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000180971517 1430144004 /nfs/dbraw/zinc/14/40/04/1430144004.db2.gz QXZPRSJODNDBLZ-QGZVFWFLSA-N 2 0 386.540 3.449 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000180971493 1430144099 /nfs/dbraw/zinc/14/40/99/1430144099.db2.gz QXZPRSJODNDBLZ-KRWDZBQOSA-N 2 0 386.540 3.449 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180977321 1430147664 /nfs/dbraw/zinc/14/76/64/1430147664.db2.gz AMTTZVDPFDPEHD-SFHVURJKSA-N 2 0 381.520 3.372 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180977335 1430147718 /nfs/dbraw/zinc/14/77/18/1430147718.db2.gz AMTTZVDPFDPEHD-GOSISDBHSA-N 2 0 381.520 3.372 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000180977290 1430147848 /nfs/dbraw/zinc/14/78/48/1430147848.db2.gz WTEWKWTXDKQQLM-QGZVFWFLSA-N 2 0 395.503 3.092 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000180977442 1430148359 /nfs/dbraw/zinc/14/83/59/1430148359.db2.gz DTMLHNCSIKZLNT-QFIPXVFZSA-N 2 0 381.495 3.428 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000180993664 1430157339 /nfs/dbraw/zinc/15/73/39/1430157339.db2.gz KUSXFAQKGLLSFJ-FBPXKMNZSA-N 2 0 388.552 3.243 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996622 1430158105 /nfs/dbraw/zinc/15/81/05/1430158105.db2.gz GQQUNOFCTMLCJC-MSOLQXFVSA-N 2 0 383.536 3.268 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000180996445 1430158131 /nfs/dbraw/zinc/15/81/31/1430158131.db2.gz FGLVWELAWGRHBA-LJQANCHMSA-N 2 0 387.524 3.444 20 0 GGADRP C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000180996807 1430158614 /nfs/dbraw/zinc/15/86/14/1430158614.db2.gz YLFDPHXVTPEZJS-OAHLLOKOSA-N 2 0 386.565 3.164 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000180998243 1430159331 /nfs/dbraw/zinc/15/93/31/1430159331.db2.gz PFDMTTYWDKUZSE-HNNXBMFYSA-N 2 0 391.462 3.430 20 0 GGADRP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000181287829 1430263470 /nfs/dbraw/zinc/26/34/70/1430263470.db2.gz URMXRZCBQAJMSS-FXAWDEMLSA-N 2 0 397.519 3.092 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411016 1430291274 /nfs/dbraw/zinc/29/12/74/1430291274.db2.gz ANWHWFBBCHEZRV-YHYVQYDKSA-N 2 0 385.552 3.232 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412680 1430291685 /nfs/dbraw/zinc/29/16/85/1430291685.db2.gz ROLYHLWVFCOVCQ-DQLDELGASA-N 2 0 387.524 3.062 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181414008 1430291910 /nfs/dbraw/zinc/29/19/10/1430291910.db2.gz DTPOUCLTEWPRBV-TZYHBYERSA-N 3 0 389.584 3.046 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414457 1430292153 /nfs/dbraw/zinc/29/21/53/1430292153.db2.gz VIXWHEDKERUVPB-LEOXJPRUSA-N 3 0 389.584 3.046 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000181496008 1430310403 /nfs/dbraw/zinc/31/04/03/1430310403.db2.gz LEPHTAASKUKKAT-UHFFFAOYSA-N 2 0 387.572 3.206 20 0 GGADRP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181627200 1430330287 /nfs/dbraw/zinc/33/02/87/1430330287.db2.gz IEDNIPBCBUKKJL-DLBZAZTESA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)NC2CCCC2)CC1 ZINC000181631700 1430331438 /nfs/dbraw/zinc/33/14/38/1430331438.db2.gz RBTBQPKIUKMXBF-DLBZAZTESA-N 2 0 390.547 3.066 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccccc2)CC1 ZINC000181633957 1430331693 /nfs/dbraw/zinc/33/16/93/1430331693.db2.gz DPIWJONCDLHFRP-KRWDZBQOSA-N 2 0 384.499 3.257 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000181634671 1430332092 /nfs/dbraw/zinc/33/20/92/1430332092.db2.gz GUQFQBZQLKVNCO-YLJYHZDGSA-N 2 0 390.547 3.018 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000181635754 1430332410 /nfs/dbraw/zinc/33/24/10/1430332410.db2.gz NWWPBNOVQGUBDM-OPAMFIHVSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)NC2CCCC2)CC1 ZINC000181643016 1430333819 /nfs/dbraw/zinc/33/38/19/1430333819.db2.gz PGOHMTOIYZCOOJ-KRWDZBQOSA-N 2 0 390.547 3.067 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000181664023 1430337542 /nfs/dbraw/zinc/33/75/42/1430337542.db2.gz DFTKFVSJZFPXPW-KKXNLOMOSA-N 2 0 393.597 3.288 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C12CCCCC2 ZINC000181670280 1430338795 /nfs/dbraw/zinc/33/87/95/1430338795.db2.gz CRPNWEAVOWQHOB-NHCUHLMSSA-N 2 0 387.568 3.196 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCC2 ZINC000181726365 1430348531 /nfs/dbraw/zinc/34/85/31/1430348531.db2.gz IUORWBNAALIMBA-FDFHNCONSA-N 2 0 399.579 3.211 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C12CCCCC2 ZINC000181975718 1430390898 /nfs/dbraw/zinc/39/08/98/1430390898.db2.gz OMYIWXMXTPXUGM-LEWJYISDSA-N 2 0 387.568 3.196 20 0 GGADRP C[C@@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031351 1430399312 /nfs/dbraw/zinc/39/93/12/1430399312.db2.gz IVXWAQABVSORIR-OALUTQOASA-N 2 0 387.572 3.171 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182140317 1430418667 /nfs/dbraw/zinc/41/86/67/1430418667.db2.gz PLXUJCFEBVCDBX-FQEVSTJZSA-N 2 0 385.483 3.121 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000182225466 1430433099 /nfs/dbraw/zinc/43/30/99/1430433099.db2.gz QAPAYXJMDIJOIR-WZONZLPQSA-N 2 0 391.519 3.075 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235366 1430434498 /nfs/dbraw/zinc/43/44/98/1430434498.db2.gz BRWLWVHTOQOPDS-XADOIVSYSA-N 2 0 386.561 3.232 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247117 1430436494 /nfs/dbraw/zinc/43/64/94/1430436494.db2.gz UVYNAUBBVGZJNP-LAUBAEHRSA-N 2 0 382.504 3.265 20 0 GGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000182251920 1430437447 /nfs/dbraw/zinc/43/74/47/1430437447.db2.gz ILJKVACNWLROTC-GAJHUEQPSA-N 2 0 381.520 3.453 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182258867 1430438650 /nfs/dbraw/zinc/43/86/50/1430438650.db2.gz SXIPFLQPDNZNDH-PXNSSMCTSA-N 2 0 384.520 3.430 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182265796 1430439817 /nfs/dbraw/zinc/43/98/17/1430439817.db2.gz ASBNTNXPIKKESZ-CVDCTZTESA-N 3 0 397.563 3.044 20 0 GGADRP COc1cccc(C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C2CC2)c1 ZINC000182267361 1430440108 /nfs/dbraw/zinc/44/01/08/1430440108.db2.gz VTMKPQORWPKLGR-UPVQGACJSA-N 2 0 380.532 3.373 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269810 1430440374 /nfs/dbraw/zinc/44/03/74/1430440374.db2.gz URGRADMOZXVWTI-KXBFYZLASA-N 2 0 389.565 3.058 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272434 1430440649 /nfs/dbraw/zinc/44/06/49/1430440649.db2.gz BNJZKCNXLAWCRQ-UTKZUKDTSA-N 2 0 382.504 3.265 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000182324816 1430448864 /nfs/dbraw/zinc/44/88/64/1430448864.db2.gz PEXGNOWROJCIOC-QGZVFWFLSA-N 2 0 388.474 3.499 20 0 GGADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182407137 1430462171 /nfs/dbraw/zinc/46/21/71/1430462171.db2.gz IRVZCTBEJWLUBK-WOJBJXKFSA-N 2 0 378.605 3.451 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182471948 1430473396 /nfs/dbraw/zinc/47/33/96/1430473396.db2.gz ASJKDXKRYWIISZ-FGZHOGPDSA-N 2 0 384.568 3.024 20 0 GGADRP COc1ccccc1CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000182496478 1430477893 /nfs/dbraw/zinc/47/78/93/1430477893.db2.gz GJLYFMKWYYSLPS-UHFFFAOYSA-N 2 0 389.584 3.044 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182546755 1430488147 /nfs/dbraw/zinc/48/81/47/1430488147.db2.gz PORBOAVREVCTPW-CDXJDZJCSA-N 2 0 390.547 3.381 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182578184 1430496349 /nfs/dbraw/zinc/49/63/49/1430496349.db2.gz OUQPBGSYWPQDHL-IBGZPJMESA-N 2 0 385.512 3.221 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182633490 1430506255 /nfs/dbraw/zinc/50/62/55/1430506255.db2.gz OEXPTPMYNZOSEU-AZUAARDMSA-N 2 0 396.620 3.028 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000182650096 1430510024 /nfs/dbraw/zinc/51/00/24/1430510024.db2.gz JNRKTANBZKBCGV-CQSZACIVSA-N 2 0 387.446 3.010 20 0 GGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182678943 1430515993 /nfs/dbraw/zinc/51/59/93/1430515993.db2.gz JUXWGAOLWHMVRL-YSIASYRMSA-N 2 0 376.589 3.203 20 0 GGADRP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182689851 1430518199 /nfs/dbraw/zinc/51/81/99/1430518199.db2.gz GIRVAHAKTUDLJP-IEBWSBKVSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182690278 1430518311 /nfs/dbraw/zinc/51/83/11/1430518311.db2.gz FKOJFQJVKCJZTA-MSOLQXFVSA-N 2 0 376.589 3.346 20 0 GGADRP C[C@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000182717299 1430525610 /nfs/dbraw/zinc/52/56/10/1430525610.db2.gz GOWCOVSLZSBHOP-GOSISDBHSA-N 2 0 376.545 3.150 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000182737743 1430530327 /nfs/dbraw/zinc/53/03/27/1430530327.db2.gz WBRMTDJWWQTSQX-UHFFFAOYSA-N 2 0 395.613 3.271 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000182776283 1430537608 /nfs/dbraw/zinc/53/76/08/1430537608.db2.gz KEJHZCXUTQIGCM-NRFANRHFSA-N 2 0 387.568 3.460 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000182776259 1430537785 /nfs/dbraw/zinc/53/77/85/1430537785.db2.gz KEJHZCXUTQIGCM-OAQYLSRUSA-N 2 0 387.568 3.460 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1C[NH+]1CCCCC1 ZINC000182776553 1430538055 /nfs/dbraw/zinc/53/80/55/1430538055.db2.gz GBZAODOCQGVHHB-OXQOHEQNSA-N 2 0 383.540 3.247 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182780048 1430538565 /nfs/dbraw/zinc/53/85/65/1430538565.db2.gz MCSNBCXAGIQPQP-SVFBPWRDSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182835839 1430550160 /nfs/dbraw/zinc/55/01/60/1430550160.db2.gz TXOQEVWJNNZXGP-RBUKOAKNSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182835880 1430550315 /nfs/dbraw/zinc/55/03/15/1430550315.db2.gz TXOQEVWJNNZXGP-OALUTQOASA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856937 1430554824 /nfs/dbraw/zinc/55/48/24/1430554824.db2.gz TVPOXAKYTNPZJL-MOPGFXCFSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869689 1430557746 /nfs/dbraw/zinc/55/77/46/1430557746.db2.gz GBHLWHCWLAZWHG-FPOVZHCZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930813 1430574313 /nfs/dbraw/zinc/57/43/13/1430574313.db2.gz HDRURKBZHWHPGZ-ZWKOTPCHSA-N 2 0 376.545 3.006 20 0 GGADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939344 1430576447 /nfs/dbraw/zinc/57/64/47/1430576447.db2.gz PLBVHVNOSRMCPV-ICSRJNTNSA-N 2 0 378.605 3.403 20 0 GGADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939362 1430576514 /nfs/dbraw/zinc/57/65/14/1430576514.db2.gz PLBVHVNOSRMCPV-QUCCMNQESA-N 2 0 378.605 3.403 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182951297 1430579360 /nfs/dbraw/zinc/57/93/60/1430579360.db2.gz UUCMURUJYKVNOL-CBQOVEMMSA-N 2 0 384.568 3.338 20 0 GGADRP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967398 1430582373 /nfs/dbraw/zinc/58/23/73/1430582373.db2.gz GYKRXHSDTULTOP-QGZVFWFLSA-N 2 0 385.512 3.017 20 0 GGADRP COC(=O)c1oc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000182969778 1430583103 /nfs/dbraw/zinc/58/31/03/1430583103.db2.gz GOKIDSNJUNNPFY-QGZVFWFLSA-N 2 0 378.513 3.260 20 0 GGADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975050 1430583652 /nfs/dbraw/zinc/58/36/52/1430583652.db2.gz QJXUDURPRVNGIQ-GOSISDBHSA-N 2 0 391.531 3.286 20 0 GGADRP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1C ZINC000182989733 1430586783 /nfs/dbraw/zinc/58/67/83/1430586783.db2.gz BYJOHTVOZLVSRY-FQEVSTJZSA-N 2 0 387.568 3.455 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128772 1430622840 /nfs/dbraw/zinc/62/28/40/1430622840.db2.gz GVZHGFXDBFAOOF-DSNGMDLFSA-N 3 0 398.639 3.294 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1C[NH+]1CCCCC1 ZINC000183133722 1430623897 /nfs/dbraw/zinc/62/38/97/1430623897.db2.gz JUUGNAMTGHRESF-DLBZAZTESA-N 2 0 382.570 3.155 20 0 GGADRP COCCC[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135943 1430625602 /nfs/dbraw/zinc/62/56/02/1430625602.db2.gz FZZGPPMUTWQUDF-YFNKSVMNSA-N 2 0 385.596 3.378 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191344 1430643808 /nfs/dbraw/zinc/64/38/08/1430643808.db2.gz NTQOREFCAJXEKV-LZLYRXPVSA-N 2 0 379.570 3.362 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000183224346 1430651964 /nfs/dbraw/zinc/65/19/64/1430651964.db2.gz MPCRDZLYZVQIAG-QESAQDPVSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000183224324 1430652249 /nfs/dbraw/zinc/65/22/49/1430652249.db2.gz MPCRDZLYZVQIAG-GBAJDQEWSA-N 2 0 384.568 3.165 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226508 1430652805 /nfs/dbraw/zinc/65/28/05/1430652805.db2.gz SUVKOIXCISOPSO-IAGOWNOFSA-N 2 0 377.529 3.275 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1)C1CC[NH+](C)CC1 ZINC000183237505 1430656472 /nfs/dbraw/zinc/65/64/72/1430656472.db2.gz VZKGOFVOUXZBKO-FQEVSTJZSA-N 2 0 387.568 3.192 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241082 1430657420 /nfs/dbraw/zinc/65/74/20/1430657420.db2.gz JWUZNBAXIAQRCZ-JOCHJYFZSA-N 2 0 381.568 3.372 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)CC2)CC1 ZINC000183376410 1430694526 /nfs/dbraw/zinc/69/45/26/1430694526.db2.gz SJVVISBRHXMHLZ-UEKLYDJUSA-N 2 0 376.589 3.155 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)CC2)CC1 ZINC000183376387 1430694772 /nfs/dbraw/zinc/69/47/72/1430694772.db2.gz SJVVISBRHXMHLZ-HAMDTZRPSA-N 2 0 376.589 3.155 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000183504492 1430730073 /nfs/dbraw/zinc/73/00/73/1430730073.db2.gz VYQXIZNJCCTOCM-BBRMVZONSA-N 2 0 395.569 3.190 20 0 GGADRP Fc1cc2ncn(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2cc1F ZINC000183519107 1430733423 /nfs/dbraw/zinc/73/34/23/1430733423.db2.gz ADBFGWWGLSDIMB-UHFFFAOYSA-N 2 0 378.467 3.096 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000183737612 1430784190 /nfs/dbraw/zinc/78/41/90/1430784190.db2.gz LULXLJZWVNOTHA-FQEVSTJZSA-N 2 0 398.555 3.061 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C2CCCCC2)n1 ZINC000183793866 1430795576 /nfs/dbraw/zinc/79/55/76/1430795576.db2.gz YSAWTEABWRWRGV-UHFFFAOYSA-N 2 0 397.567 3.049 20 0 GGADRP O=C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000184670721 1430937362 /nfs/dbraw/zinc/93/73/62/1430937362.db2.gz YKSNBGJCLBUYRV-GVDBMIGSSA-N 2 0 381.442 3.023 20 0 GGADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184671161 1430938189 /nfs/dbraw/zinc/93/81/89/1430938189.db2.gz FJNWQMUITADFHA-QGZVFWFLSA-N 2 0 383.458 3.269 20 0 GGADRP C[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184717604 1430951818 /nfs/dbraw/zinc/95/18/18/1430951818.db2.gz GGJRHNFYZYYRNM-ZWKOTPCHSA-N 2 0 378.586 3.449 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COCc1cccs1 ZINC000184740504 1430960466 /nfs/dbraw/zinc/96/04/66/1430960466.db2.gz DJAMZFOXQKOLKY-GGPKGHCWSA-N 2 0 388.577 3.372 20 0 GGADRP C[C@@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000184807567 1430983544 /nfs/dbraw/zinc/98/35/44/1430983544.db2.gz PXNLCCZMFSDQEZ-FQEVSTJZSA-N 2 0 386.584 3.257 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1)c1ccccc1 ZINC000184970597 1431033232 /nfs/dbraw/zinc/03/32/32/1431033232.db2.gz OMUBMZODHXJYGT-QFIPXVFZSA-N 2 0 381.520 3.023 20 0 GGADRP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000185148031 1431072507 /nfs/dbraw/zinc/07/25/07/1431072507.db2.gz AJNMHTYXRJRVPZ-UXHICEINSA-N 2 0 396.620 3.028 20 0 GGADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000185207955 1431085465 /nfs/dbraw/zinc/08/54/65/1431085465.db2.gz ZBDSEYJQWLENPL-QGZVFWFLSA-N 2 0 384.362 3.221 20 0 GGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1(C)C ZINC000185222968 1431088485 /nfs/dbraw/zinc/08/84/85/1431088485.db2.gz VPAHZDDEQDMTTO-PCCBWWKXSA-N 2 0 387.568 3.066 20 0 GGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000185356217 1431124462 /nfs/dbraw/zinc/12/44/62/1431124462.db2.gz QMQJWSKQBCIGGI-LEWJYISDSA-N 2 0 378.582 3.401 20 0 GGADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000185356251 1431124616 /nfs/dbraw/zinc/12/46/16/1431124616.db2.gz QMQJWSKQBCIGGI-NHCUHLMSSA-N 2 0 378.582 3.401 20 0 GGADRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccnc1 ZINC000185400389 1431136679 /nfs/dbraw/zinc/13/66/79/1431136679.db2.gz MJHYGCQAOLHKMB-VXKWHMMOSA-N 2 0 380.536 3.410 20 0 GGADRP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000185400447 1431136713 /nfs/dbraw/zinc/13/67/13/1431136713.db2.gz WDXOMUGOLJWYKR-XLIONFOSSA-N 2 0 381.520 3.249 20 0 GGADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000185545167 1431168050 /nfs/dbraw/zinc/16/80/50/1431168050.db2.gz ZZXBNQKJYXHVMI-AVRDEDQJSA-N 2 0 393.531 3.053 20 0 GGADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000185563985 1431171369 /nfs/dbraw/zinc/17/13/69/1431171369.db2.gz LOISEIISDDNCQF-SFHVURJKSA-N 2 0 392.613 3.381 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000185613180 1431184205 /nfs/dbraw/zinc/18/42/05/1431184205.db2.gz YZTVOGMCENJSLZ-KXBFYZLASA-N 2 0 396.938 3.208 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000185613159 1431184360 /nfs/dbraw/zinc/18/43/60/1431184360.db2.gz YZTVOGMCENJSLZ-BEFAXECRSA-N 2 0 396.938 3.208 20 0 GGADRP C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724006 1431216093 /nfs/dbraw/zinc/21/60/93/1431216093.db2.gz CBFYSAHZDCWYIS-QZTJIDSGSA-N 2 0 394.581 3.102 20 0 GGADRP C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733337 1431218632 /nfs/dbraw/zinc/21/86/32/1431218632.db2.gz NUMPTASHWXBNDB-QKLQHJQFSA-N 2 0 380.960 3.460 20 0 GGADRP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761199 1431227434 /nfs/dbraw/zinc/22/74/34/1431227434.db2.gz FYDFOTOHFTWOOG-SBHAEUEKSA-N 2 0 384.568 3.257 20 0 GGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761183 1431227599 /nfs/dbraw/zinc/22/75/99/1431227599.db2.gz FYDFOTOHFTWOOG-SFHLNBCPSA-N 2 0 384.568 3.257 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185822475 1431243965 /nfs/dbraw/zinc/24/39/65/1431243965.db2.gz IMVCGLQMLRGSGG-SFHVURJKSA-N 2 0 387.572 3.028 20 0 GGADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000185870272 1431257646 /nfs/dbraw/zinc/25/76/46/1431257646.db2.gz MYXPBBXSLJIOAA-SFHVURJKSA-N 2 0 387.549 3.058 20 0 GGADRP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000185877660 1431259975 /nfs/dbraw/zinc/25/99/75/1431259975.db2.gz OCTLKUZXLFPGLB-NRFANRHFSA-N 2 0 396.579 3.393 20 0 GGADRP Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186252333 1431363395 /nfs/dbraw/zinc/36/33/95/1431363395.db2.gz DEFKDELDAOONJV-UHFFFAOYSA-N 2 0 382.508 3.199 20 0 GGADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186472194 1431429335 /nfs/dbraw/zinc/42/93/35/1431429335.db2.gz XAKIAQYHIZKJIH-NRFANRHFSA-N 2 0 389.503 3.350 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000186579568 1431459557 /nfs/dbraw/zinc/45/95/57/1431459557.db2.gz AHHUBELFMKTOQA-PMACEKPBSA-N 2 0 383.584 3.474 20 0 GGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000186751766 1431507866 /nfs/dbraw/zinc/50/78/66/1431507866.db2.gz VIHICFDCEBKXSF-IAGOWNOFSA-N 2 0 377.529 3.145 20 0 GGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000186774676 1431513549 /nfs/dbraw/zinc/51/35/49/1431513549.db2.gz KYOFFPPRZFELHB-DLBZAZTESA-N 2 0 377.529 3.145 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC)cc1C ZINC000186812915 1431524733 /nfs/dbraw/zinc/52/47/33/1431524733.db2.gz ZNPYJQUZIXZBCV-INIZCTEOSA-N 2 0 380.508 3.023 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000186961857 1431577752 /nfs/dbraw/zinc/57/77/52/1431577752.db2.gz KROBIUZEYGEYCJ-SFHVURJKSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000187004134 1431587134 /nfs/dbraw/zinc/58/71/34/1431587134.db2.gz DIIQLTRNTISGQI-MSOLQXFVSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CCS(=O)(=O)CC1 ZINC000187010127 1431588820 /nfs/dbraw/zinc/58/88/20/1431588820.db2.gz ADVAKCONGOINCR-ROUUACIJSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000187013727 1431589803 /nfs/dbraw/zinc/58/98/03/1431589803.db2.gz JHVRCFUJTOIEHK-OTWHNJEPSA-N 2 0 392.609 3.467 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000187104307 1431616691 /nfs/dbraw/zinc/61/66/91/1431616691.db2.gz IRYVYOMAGDARRT-SFHVURJKSA-N 2 0 398.473 3.234 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000187115678 1431620157 /nfs/dbraw/zinc/62/01/57/1431620157.db2.gz WOQBYQYQULVNAG-JOCHJYFZSA-N 2 0 382.552 3.119 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CCS(=O)(=O)CC1 ZINC000187120965 1431622110 /nfs/dbraw/zinc/62/21/10/1431622110.db2.gz NIFYPQCEJZSLPH-GOSISDBHSA-N 2 0 378.582 3.366 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CCS(=O)(=O)CC1 ZINC000187120946 1431622183 /nfs/dbraw/zinc/62/21/83/1431622183.db2.gz NIFYPQCEJZSLPH-SFHVURJKSA-N 2 0 378.582 3.366 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159712 1431634533 /nfs/dbraw/zinc/63/45/33/1431634533.db2.gz HWEYDZNZNSIMEV-ZBFHGGJFSA-N 2 0 398.389 3.387 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCSCC1 ZINC000187186621 1431640760 /nfs/dbraw/zinc/64/07/60/1431640760.db2.gz PMSGVHBNTZJYFB-JXFKEZNVSA-N 2 0 375.582 3.005 20 0 GGADRP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc2CCC1=O ZINC000187198090 1431644353 /nfs/dbraw/zinc/64/43/53/1431644353.db2.gz LZWIFGDBLUODHX-NRFANRHFSA-N 2 0 377.532 3.250 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187204561 1431646939 /nfs/dbraw/zinc/64/69/39/1431646939.db2.gz RYNAALSBYIQTTO-LJQANCHMSA-N 2 0 382.552 3.120 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000187256771 1431668949 /nfs/dbraw/zinc/66/89/49/1431668949.db2.gz BQOIXQRHNUAZFS-CXAGYDPISA-N 2 0 386.462 3.090 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCSCC1 ZINC000187346915 1431704249 /nfs/dbraw/zinc/70/42/49/1431704249.db2.gz BOVMEEGGSPNZNT-KRWDZBQOSA-N 2 0 375.582 3.134 20 0 GGADRP Fc1ccc(Cn2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000187382909 1431714750 /nfs/dbraw/zinc/71/47/50/1431714750.db2.gz YERYFZLACIDAIE-UHFFFAOYSA-N 2 0 386.515 3.147 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405701 1431720945 /nfs/dbraw/zinc/72/09/45/1431720945.db2.gz FJSUOGKKXKYRDH-IBGZPJMESA-N 2 0 384.568 3.422 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187449268 1431733674 /nfs/dbraw/zinc/73/36/74/1431733674.db2.gz DJQLJMZZRSXAIY-IAGOWNOFSA-N 2 0 386.462 3.044 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187449288 1431733718 /nfs/dbraw/zinc/73/37/18/1431733718.db2.gz DJQLJMZZRSXAIY-DLBZAZTESA-N 2 0 386.462 3.044 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187454110 1431735522 /nfs/dbraw/zinc/73/55/22/1431735522.db2.gz BUIILQHJLOGWOE-KRWDZBQOSA-N 2 0 388.478 3.290 20 0 GGADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC000187464338 1431739249 /nfs/dbraw/zinc/73/92/49/1431739249.db2.gz BYCOVLVAMHXPNS-HXUWFJFHSA-N 2 0 384.923 3.337 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000187482838 1431745144 /nfs/dbraw/zinc/74/51/44/1431745144.db2.gz YQYZZBNBCSXWNB-FKBYEOEOSA-N 2 0 386.584 3.269 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000187584628 1431772977 /nfs/dbraw/zinc/77/29/77/1431772977.db2.gz YVJFJCVXGVTIRQ-NRFANRHFSA-N 2 0 386.584 3.459 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187956686 1431831087 /nfs/dbraw/zinc/83/10/87/1431831087.db2.gz KBZOXEIUEVAGOJ-YLJYHZDGSA-N 2 0 377.598 3.485 20 0 GGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000187987446 1431833926 /nfs/dbraw/zinc/83/39/26/1431833926.db2.gz RMBXLPSOIMJHSB-UWJYYQICSA-N 2 0 383.511 3.244 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189004309 1432025294 /nfs/dbraw/zinc/02/52/94/1432025294.db2.gz OPIFPHSJTMQZTJ-VIQWUECVSA-N 2 0 383.536 3.448 20 0 GGADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000189005353 1432025784 /nfs/dbraw/zinc/02/57/84/1432025784.db2.gz FXIXQIPPRFYHMG-UHFFFAOYSA-N 2 0 391.515 3.445 20 0 GGADRP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C[NH+]1CCCCC1 ZINC000189055895 1432035810 /nfs/dbraw/zinc/03/58/10/1432035810.db2.gz DFGYXXGINJXWLO-LMDPOFIKSA-N 2 0 383.536 3.305 20 0 GGADRP C[C@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCCC1 ZINC000189403073 1432099399 /nfs/dbraw/zinc/09/93/99/1432099399.db2.gz XTJVSISVXLXACT-LMDPOFIKSA-N 2 0 383.536 3.448 20 0 GGADRP Cc1ccc2cc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)ccc2n1 ZINC000189788571 1432235780 /nfs/dbraw/zinc/23/57/80/1432235780.db2.gz QRHZDMFHNGQWJX-UHFFFAOYSA-N 2 0 396.579 3.459 20 0 GGADRP FC(F)(F)C(F)(F)COCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000189878204 1432260743 /nfs/dbraw/zinc/26/07/43/1432260743.db2.gz PBEQVIXEGDCVRJ-UHFFFAOYSA-N 2 0 388.421 3.025 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000190119888 1432323062 /nfs/dbraw/zinc/32/30/62/1432323062.db2.gz OVDNDDSXQXIYQB-UHFFFAOYSA-N 2 0 386.584 3.211 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000190141913 1432327337 /nfs/dbraw/zinc/32/73/37/1432327337.db2.gz UGICFURWRYHMGS-UHFFFAOYSA-N 2 0 386.584 3.416 20 0 GGADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1c[nH]c2ccccc12 ZINC000190480128 1432389564 /nfs/dbraw/zinc/38/95/64/1432389564.db2.gz YXCBVXRYOFJQPR-JOCHJYFZSA-N 2 0 378.520 3.409 20 0 GGADRP COCCN(C)c1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000190909470 1432526772 /nfs/dbraw/zinc/52/67/72/1432526772.db2.gz DGLFVGDIWFNHLD-UHFFFAOYSA-N 2 0 388.581 3.228 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190972728 1432540764 /nfs/dbraw/zinc/54/07/64/1432540764.db2.gz PAZJPJZCGZGAQW-FQEVSTJZSA-N 2 0 393.616 3.284 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190972747 1432541186 /nfs/dbraw/zinc/54/11/86/1432541186.db2.gz PAZJPJZCGZGAQW-HXUWFJFHSA-N 2 0 393.616 3.284 20 0 GGADRP COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000191093420 1432566365 /nfs/dbraw/zinc/56/63/65/1432566365.db2.gz VQAKPFGKZMAFAU-UHFFFAOYSA-N 2 0 384.524 3.353 20 0 GGADRP CC(C)[NH+]1CCN(CCCN2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000191418018 1432657845 /nfs/dbraw/zinc/65/78/45/1432657845.db2.gz OUWIRWSDHYLWJU-UHFFFAOYSA-N 2 0 394.607 3.374 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000191504651 1432674742 /nfs/dbraw/zinc/67/47/42/1432674742.db2.gz PZSDJTVAROUEFM-FQEVSTJZSA-N 2 0 375.532 3.137 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000191537953 1432679996 /nfs/dbraw/zinc/67/99/96/1432679996.db2.gz KUFNDFXEFFAVKG-LADGPHEKSA-N 2 0 386.628 3.387 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000191537980 1432680107 /nfs/dbraw/zinc/68/01/07/1432680107.db2.gz KUFNDFXEFFAVKG-UPVQGACJSA-N 2 0 386.628 3.387 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561826 1432683136 /nfs/dbraw/zinc/68/31/36/1432683136.db2.gz FBYGYJXUZMREGB-FHWLQOOXSA-N 2 0 399.560 3.363 20 0 GGADRP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000191586112 1432687572 /nfs/dbraw/zinc/68/75/72/1432687572.db2.gz WBBCAVCMDNBDSL-XMMPIXPASA-N 2 0 380.532 3.414 20 0 GGADRP O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192346944 1432834779 /nfs/dbraw/zinc/83/47/79/1432834779.db2.gz PDRJWEVSTKBWNJ-JOCHJYFZSA-N 2 0 393.531 3.271 20 0 GGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)C2 ZINC000192441986 1432845232 /nfs/dbraw/zinc/84/52/32/1432845232.db2.gz YRMWSVIJOZIWSY-OAQYLSRUSA-N 2 0 380.532 3.299 20 0 GGADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C2 ZINC000192447617 1432845828 /nfs/dbraw/zinc/84/58/28/1432845828.db2.gz MHBHGYQTWPYNLM-FGZHOGPDSA-N 2 0 380.532 3.299 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538715 1432856764 /nfs/dbraw/zinc/85/67/64/1432856764.db2.gz BGIKDSBIAPFPJP-UHFFFAOYSA-N 2 0 397.485 3.470 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000192648178 1432871065 /nfs/dbraw/zinc/87/10/65/1432871065.db2.gz ONJLBURCCCRAKF-ZWKOTPCHSA-N 2 0 391.556 3.004 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773261 1432888582 /nfs/dbraw/zinc/88/85/82/1432888582.db2.gz LSFVLWSROATTSI-WOJBJXKFSA-N 2 0 396.620 3.028 20 0 GGADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192775019 1432888752 /nfs/dbraw/zinc/88/87/52/1432888752.db2.gz KJIMRXCDHZLOAK-FQEVSTJZSA-N 2 0 382.980 3.288 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCC2 ZINC000192829212 1432895993 /nfs/dbraw/zinc/89/59/93/1432895993.db2.gz GFSUWUYKAPHBDT-GOSISDBHSA-N 2 0 391.556 3.005 20 0 GGADRP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000192934214 1432909855 /nfs/dbraw/zinc/90/98/55/1432909855.db2.gz XHYZKKGLHIFQPF-OAQYLSRUSA-N 2 0 396.531 3.467 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000193088064 1432934435 /nfs/dbraw/zinc/93/44/35/1432934435.db2.gz SZSWOWPLCRWAJR-UWJYYQICSA-N 2 0 379.520 3.161 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1cccs1 ZINC000193106869 1432937046 /nfs/dbraw/zinc/93/70/46/1432937046.db2.gz JZOQMDAQESQSRK-GOSISDBHSA-N 2 0 390.553 3.250 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000193186670 1432953474 /nfs/dbraw/zinc/95/34/74/1432953474.db2.gz KHRPCCOMNZTMRL-UHFFFAOYSA-N 2 0 394.563 3.255 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193300692 1432976148 /nfs/dbraw/zinc/97/61/48/1432976148.db2.gz RBOBOJOGYPPDAY-UHFFFAOYSA-N 2 0 380.532 3.301 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000193803102 1433062863 /nfs/dbraw/zinc/06/28/63/1433062863.db2.gz KHCMSUMYDUWTHC-GOTSBHOMSA-N 2 0 377.532 3.289 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000193844016 1433071524 /nfs/dbraw/zinc/07/15/24/1433071524.db2.gz DIACDQJCWLERRV-UHFFFAOYSA-N 2 0 386.584 3.256 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000193850472 1433072737 /nfs/dbraw/zinc/07/27/37/1433072737.db2.gz BTVNOTKEKYGZHD-QGZVFWFLSA-N 2 0 378.586 3.447 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000193851102 1433073133 /nfs/dbraw/zinc/07/31/33/1433073133.db2.gz ZFOZKMUVTDUDLB-SFHVURJKSA-N 2 0 376.545 3.369 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926463 1433085684 /nfs/dbraw/zinc/08/56/84/1433085684.db2.gz RXDIFRLJCQNKJU-RBBKRZOGSA-N 2 0 380.536 3.111 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926494 1433086215 /nfs/dbraw/zinc/08/62/15/1433086215.db2.gz RXDIFRLJCQNKJU-IFMALSPDSA-N 2 0 380.536 3.111 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194020809 1433102286 /nfs/dbraw/zinc/10/22/86/1433102286.db2.gz LFOYFOSPHLWISN-UNMCSNQZSA-N 2 0 386.584 3.320 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000194069717 1433111303 /nfs/dbraw/zinc/11/13/03/1433111303.db2.gz YFPLXTASMAJJRD-KNQAVFIVSA-N 2 0 398.526 3.250 20 0 GGADRP COC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000194103550 1433117994 /nfs/dbraw/zinc/11/79/94/1433117994.db2.gz TYQRSWQKUASXSX-FQEVSTJZSA-N 2 0 389.927 3.109 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000194106542 1433118604 /nfs/dbraw/zinc/11/86/04/1433118604.db2.gz FHOQJCHTURJERF-SFTDATJTSA-N 2 0 398.551 3.484 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000194445467 1433179203 /nfs/dbraw/zinc/17/92/03/1433179203.db2.gz DBDIABDUGJVEPT-NRFANRHFSA-N 2 0 384.568 3.168 20 0 GGADRP CCC(CC)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[NH+](C)C ZINC000194763339 1433226723 /nfs/dbraw/zinc/22/67/23/1433226723.db2.gz QVLYHFXHUJHBBO-OAQYLSRUSA-N 2 0 389.588 3.235 20 0 GGADRP CCC(CC)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[NH+](C)C ZINC000194763357 1433226737 /nfs/dbraw/zinc/22/67/37/1433226737.db2.gz QVLYHFXHUJHBBO-NRFANRHFSA-N 2 0 389.588 3.235 20 0 GGADRP COCC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000194834666 1433244003 /nfs/dbraw/zinc/24/40/03/1433244003.db2.gz UJBUWLYHXQNVIS-UHFFFAOYSA-N 2 0 395.547 3.159 20 0 GGADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000194926260 1433265735 /nfs/dbraw/zinc/26/57/35/1433265735.db2.gz NIPAGHGBRQJUTE-NRFANRHFSA-N 2 0 381.520 3.154 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000194967625 1433274129 /nfs/dbraw/zinc/27/41/29/1433274129.db2.gz RWNGIAUBMOLKOF-FQEVSTJZSA-N 2 0 386.584 3.067 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000194982214 1433276170 /nfs/dbraw/zinc/27/61/70/1433276170.db2.gz OCRGBTHLSGILCQ-GOSISDBHSA-N 2 0 378.586 3.135 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383409 1433324575 /nfs/dbraw/zinc/32/45/75/1433324575.db2.gz ZUBFCEIKVZEXRH-UHFFFAOYSA-N 2 0 378.536 3.162 20 0 GGADRP C[N@H+](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000195614402 1433341830 /nfs/dbraw/zinc/34/18/30/1433341830.db2.gz JADDRLRMJYSOFS-QFIPXVFZSA-N 2 0 380.536 3.255 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000195746474 1433346692 /nfs/dbraw/zinc/34/66/92/1433346692.db2.gz AONGOVNGHCYESW-UHFFFAOYSA-N 2 0 384.568 3.300 20 0 GGADRP c1nc(N2CCOCC2)sc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236660034 1433375575 /nfs/dbraw/zinc/37/55/75/1433375575.db2.gz VINHZHDUDKJBJZ-UHFFFAOYSA-N 2 0 386.565 3.255 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)N1CC[NH+](C)CC1 ZINC000236709921 1433376689 /nfs/dbraw/zinc/37/66/89/1433376689.db2.gz VOOPOLYZIVJPGJ-WOJBJXKFSA-N 2 0 394.401 3.168 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236718727 1433377104 /nfs/dbraw/zinc/37/71/04/1433377104.db2.gz MBJWKJHKAGSBQU-QHCPKHFHSA-N 2 0 377.532 3.249 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000236819564 1433379933 /nfs/dbraw/zinc/37/99/33/1433379933.db2.gz DPIWVNXZLYBJLT-HSZRJFAPSA-N 2 0 393.575 3.377 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236824856 1433380175 /nfs/dbraw/zinc/38/01/75/1433380175.db2.gz ABIGKGYUEKFVFF-UWJYYQICSA-N 2 0 375.557 3.220 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000236842980 1433380753 /nfs/dbraw/zinc/38/07/53/1433380753.db2.gz JZHAFKBDYRRAIM-UHFFFAOYSA-N 2 0 389.547 3.300 20 0 GGADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236866567 1433381210 /nfs/dbraw/zinc/38/12/10/1433381210.db2.gz RMJCBCRVUDTRAS-QHCPKHFHSA-N 2 0 394.563 3.460 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000236876989 1433381708 /nfs/dbraw/zinc/38/17/08/1433381708.db2.gz UNTPCDLDKGABFU-YFVAEKQCSA-N 2 0 375.557 3.220 20 0 GGADRP CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000237005674 1433385721 /nfs/dbraw/zinc/38/57/21/1433385721.db2.gz WPZWLBBIIAKIPV-CYBMUJFWSA-N 2 0 383.330 3.430 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237116270 1433389782 /nfs/dbraw/zinc/38/97/82/1433389782.db2.gz KTIVVKVJDUFFCX-SZMVWBNQSA-N 2 0 383.458 3.347 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000237157702 1433390903 /nfs/dbraw/zinc/39/09/03/1433390903.db2.gz ITCGEAUZXRCSHP-UHFFFAOYSA-N 2 0 388.781 3.466 20 0 GGADRP C[N@H+](Cc1ccccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CCCCC1 ZINC000237167453 1433391123 /nfs/dbraw/zinc/39/11/23/1433391123.db2.gz OTHCESHDCATYHI-UHFFFAOYSA-N 2 0 396.539 3.219 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237172005 1433391424 /nfs/dbraw/zinc/39/14/24/1433391424.db2.gz UKPOKHPCBCJPNT-UHFFFAOYSA-N 2 0 389.975 3.260 20 0 GGADRP COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000237190120 1433391903 /nfs/dbraw/zinc/39/19/03/1433391903.db2.gz SPSWQDUMLZEVTM-FQEVSTJZSA-N 2 0 397.563 3.247 20 0 GGADRP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000237207135 1433392426 /nfs/dbraw/zinc/39/24/26/1433392426.db2.gz LRTTWEYSYDIHCJ-UHFFFAOYSA-N 2 0 382.552 3.005 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000237244030 1433393882 /nfs/dbraw/zinc/39/38/82/1433393882.db2.gz HGAYIVXAJLXWGS-MRXNPFEDSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000237258119 1433394818 /nfs/dbraw/zinc/39/48/18/1433394818.db2.gz YSKNDPBGVZQWMS-SFTDATJTSA-N 2 0 381.520 3.081 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237287093 1433396125 /nfs/dbraw/zinc/39/61/25/1433396125.db2.gz DSYKEBPSEPRCFV-FDDCHVKYSA-N 2 0 395.547 3.360 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000237364249 1433399207 /nfs/dbraw/zinc/39/92/07/1433399207.db2.gz NECUVQLMBBTVRV-KRWDZBQOSA-N 2 0 375.582 3.242 20 0 GGADRP C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000237395917 1433400382 /nfs/dbraw/zinc/40/03/82/1433400382.db2.gz WTOXGKBRZOHFEC-WOJBJXKFSA-N 2 0 389.584 3.139 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237400829 1433400868 /nfs/dbraw/zinc/40/08/68/1433400868.db2.gz QANBHYUXEUHQPK-WOIUINJBSA-N 2 0 387.568 3.205 20 0 GGADRP C[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237406457 1433401328 /nfs/dbraw/zinc/40/13/28/1433401328.db2.gz XIZSICISZZXEGJ-HXUWFJFHSA-N 2 0 394.563 3.021 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000237479672 1433405317 /nfs/dbraw/zinc/40/53/17/1433405317.db2.gz MAQGMVSYUSUOGM-RZFNWQHOSA-N 2 0 377.532 3.385 20 0 GGADRP C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237479558 1433405551 /nfs/dbraw/zinc/40/55/51/1433405551.db2.gz XYFXYWVBQZBIES-IBGZPJMESA-N 2 0 383.580 3.320 20 0 GGADRP C[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237480014 1433405591 /nfs/dbraw/zinc/40/55/91/1433405591.db2.gz XIZSICISZZXEGJ-FQEVSTJZSA-N 2 0 394.563 3.021 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000237490497 1433405824 /nfs/dbraw/zinc/40/58/24/1433405824.db2.gz FEWQFABQGXNARI-YSZBQJHXSA-N 2 0 377.532 3.212 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237489266 1433405945 /nfs/dbraw/zinc/40/59/45/1433405945.db2.gz KBYXQGHZJGYMCF-FGZHOGPDSA-N 2 0 381.520 3.081 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)C1 ZINC000237525938 1433408011 /nfs/dbraw/zinc/40/80/11/1433408011.db2.gz QGOTULVECYVZOH-JPYJTQIMSA-N 2 0 377.532 3.249 20 0 GGADRP Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nnn1C1CC[NH2+]CC1 ZINC000237530108 1433408259 /nfs/dbraw/zinc/40/82/59/1433408259.db2.gz GYODPGHQMPYPRS-INIZCTEOSA-N 2 0 396.539 3.138 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237555068 1433409191 /nfs/dbraw/zinc/40/91/91/1433409191.db2.gz SDFRVLQHEFUSAX-UYAOXDASSA-N 2 0 386.584 3.429 20 0 GGADRP C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237599451 1433411937 /nfs/dbraw/zinc/41/19/37/1433411937.db2.gz QIBURAGBIHQEJZ-SJLPKXTDSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000237609390 1433412145 /nfs/dbraw/zinc/41/21/45/1433412145.db2.gz ZVRBATKKGCSGPL-JQVVWYNYSA-N 2 0 376.541 3.223 20 0 GGADRP C[C@H]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237702559 1433417995 /nfs/dbraw/zinc/41/79/95/1433417995.db2.gz AEYGAZGLRMFVCO-NRFANRHFSA-N 2 0 391.559 3.431 20 0 GGADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237720052 1433418965 /nfs/dbraw/zinc/41/89/65/1433418965.db2.gz HEOOCVJLLBHHJE-HXUWFJFHSA-N 2 0 390.959 3.469 20 0 GGADRP [NH3+][C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237859374 1433429725 /nfs/dbraw/zinc/42/97/25/1433429725.db2.gz MUUBFTWSLFPVBH-OAQYLSRUSA-N 2 0 380.492 3.140 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237879366 1433431103 /nfs/dbraw/zinc/43/11/03/1433431103.db2.gz AKCDZYUZODMMOW-GOSISDBHSA-N 2 0 383.458 3.176 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000237884132 1433431478 /nfs/dbraw/zinc/43/14/78/1433431478.db2.gz BQHVTPTULNVSPN-FRIKZZABSA-N 2 0 399.579 3.095 20 0 GGADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237901146 1433432876 /nfs/dbraw/zinc/43/28/76/1433432876.db2.gz DCSJESLGTHGDPA-OALUTQOASA-N 2 0 391.437 3.486 20 0 GGADRP O=C(N1CCC[N@H+](CC2CCCCC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237903824 1433433291 /nfs/dbraw/zinc/43/32/91/1433433291.db2.gz ZSWLBEUAENTVSF-UHFFFAOYSA-N 2 0 383.580 3.422 20 0 GGADRP [NH3+][C@@H](CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000237932602 1433435639 /nfs/dbraw/zinc/43/56/39/1433435639.db2.gz LEQMERHCAXEQIW-IBGZPJMESA-N 2 0 375.582 3.335 20 0 GGADRP Cn1cncc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000237934958 1433435968 /nfs/dbraw/zinc/43/59/68/1433435968.db2.gz KPJLIFXJLGYDJZ-UHFFFAOYSA-N 2 0 375.520 3.032 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000237955668 1433437107 /nfs/dbraw/zinc/43/71/07/1433437107.db2.gz BQVFWIOJVIYLIS-FQEVSTJZSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000237973877 1433437732 /nfs/dbraw/zinc/43/77/32/1433437732.db2.gz UGPXIBWMPXWJGO-UHFFFAOYSA-N 2 0 386.540 3.219 20 0 GGADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237973407 1433437856 /nfs/dbraw/zinc/43/78/56/1433437856.db2.gz YNLQMTCFEATEBF-GLCCWIKHSA-N 2 0 375.516 3.013 20 0 GGADRP [NH3+]C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000238021670 1433439440 /nfs/dbraw/zinc/43/94/40/1433439440.db2.gz FMQPQUHPUCEQJK-HXUWFJFHSA-N 2 0 385.939 3.411 20 0 GGADRP [NH3+]C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238036430 1433440511 /nfs/dbraw/zinc/44/05/11/1433440511.db2.gz OCHPREWRUUPBIT-RBUKOAKNSA-N 2 0 389.902 3.302 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238074456 1433442247 /nfs/dbraw/zinc/44/22/47/1433442247.db2.gz OVJOPTVEVDEYTD-QHCPKHFHSA-N 2 0 377.532 3.393 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000238101117 1433442914 /nfs/dbraw/zinc/44/29/14/1433442914.db2.gz ONWLCMZLWVRLOH-QMMLZNLJSA-N 2 0 398.551 3.360 20 0 GGADRP O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000238102909 1433443250 /nfs/dbraw/zinc/44/32/50/1433443250.db2.gz XHWOWHCZJKOGAP-HXUWFJFHSA-N 2 0 398.551 3.219 20 0 GGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238131725 1433443791 /nfs/dbraw/zinc/44/37/91/1433443791.db2.gz XCJAJXNMJPHXMX-JOCHJYFZSA-N 2 0 377.532 3.089 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000245395711 1433459838 /nfs/dbraw/zinc/45/98/38/1433459838.db2.gz IRBSYHWWCCCIET-DENIHFKCSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245395609 1433459998 /nfs/dbraw/zinc/45/99/98/1433459998.db2.gz IDYKZMZFZZAPSN-SIKLNZKXSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245432782 1433466423 /nfs/dbraw/zinc/46/64/23/1433466423.db2.gz BLWQDOYZYAEDTB-IAGOWNOFSA-N 2 0 388.581 3.449 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432476 1433466438 /nfs/dbraw/zinc/46/64/38/1433466438.db2.gz BHPFOSRPDGAKIT-GJZGRUSLSA-N 2 0 387.597 3.214 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245462676 1433472885 /nfs/dbraw/zinc/47/28/85/1433472885.db2.gz XBCYVFUUSDQYKQ-NZQKXSOJSA-N 2 0 379.548 3.487 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554433 1433484354 /nfs/dbraw/zinc/48/43/54/1433484354.db2.gz GWXGCLMCVPSOQE-PMACEKPBSA-N 2 0 387.568 3.240 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610538 1433490738 /nfs/dbraw/zinc/49/07/38/1433490738.db2.gz JYXAQPOPZWCBBZ-MJGOQNOKSA-N 2 0 397.485 3.470 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C1CC1 ZINC000245644798 1433494866 /nfs/dbraw/zinc/49/48/66/1433494866.db2.gz AWYPVXYCHJLCEE-MUKKUYKPSA-N 2 0 396.938 3.254 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245669964 1433497414 /nfs/dbraw/zinc/49/74/14/1433497414.db2.gz FGLUUYIMZAFCJX-RZUBCFFCSA-N 2 0 386.584 3.270 20 0 GGADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)no1 ZINC000245725891 1433506584 /nfs/dbraw/zinc/50/65/84/1433506584.db2.gz DSWFKCMDFNSBFD-GHTZIAJQSA-N 2 0 382.508 3.406 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245761277 1433513206 /nfs/dbraw/zinc/51/32/06/1433513206.db2.gz ZMRJOUSMLJIHNU-LPHOPBHVSA-N 2 0 396.938 3.113 20 0 GGADRP C[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245773557 1433515372 /nfs/dbraw/zinc/51/53/72/1433515372.db2.gz KZNYZCCDXMKZKU-XWTMOSNGSA-N 2 0 390.547 3.016 20 0 GGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805698 1433520531 /nfs/dbraw/zinc/52/05/31/1433520531.db2.gz BJMDDSTWCNRBOO-WMZOPIPTSA-N 2 0 381.442 3.297 20 0 GGADRP CCC[C@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000245840051 1433524892 /nfs/dbraw/zinc/52/48/92/1433524892.db2.gz DGFCJBQHFRQQIW-IRLDBZIGSA-N 2 0 384.568 3.167 20 0 GGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245850894 1433526004 /nfs/dbraw/zinc/52/60/04/1433526004.db2.gz GIQIUUCGNQRQRJ-DNVJHFABSA-N 2 0 385.596 3.378 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859010 1433528199 /nfs/dbraw/zinc/52/81/99/1433528199.db2.gz BJKZDVFHVXGWJO-PDGJWGCVSA-N 2 0 384.568 3.308 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCC2 ZINC000245866936 1433530402 /nfs/dbraw/zinc/53/04/02/1433530402.db2.gz IUORWBNAALIMBA-BHIFYINESA-N 2 0 399.579 3.211 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccsc1 ZINC000245886267 1433533722 /nfs/dbraw/zinc/53/37/22/1433533722.db2.gz LUFLYFMJYBDLAG-CEXWTWQISA-N 2 0 378.586 3.399 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000245923688 1433544398 /nfs/dbraw/zinc/54/43/98/1433544398.db2.gz HBSLUAPMWLTEDG-OTWHNJEPSA-N 2 0 380.536 3.240 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000245934463 1433546905 /nfs/dbraw/zinc/54/69/05/1433546905.db2.gz IUVAVILXLFFPFL-WSTZPKSXSA-N 2 0 390.597 3.086 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000245943436 1433548136 /nfs/dbraw/zinc/54/81/36/1433548136.db2.gz KEVIEGDNYSIAGQ-AZUAARDMSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000245960771 1433551178 /nfs/dbraw/zinc/55/11/78/1433551178.db2.gz MPCRDZLYZVQIAG-NMIHRBCNSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000246026490 1433559284 /nfs/dbraw/zinc/55/92/84/1433559284.db2.gz LBKBJDCSOYJVDL-QMMLZNLJSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246027854 1433559381 /nfs/dbraw/zinc/55/93/81/1433559381.db2.gz XLOKBXITFPBQSO-WSTZPKSXSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026484 1433559390 /nfs/dbraw/zinc/55/93/90/1433559390.db2.gz LBKBJDCSOYJVDL-JRGCBEDISA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246113347 1433570536 /nfs/dbraw/zinc/57/05/36/1433570536.db2.gz HWYXEQDRFPUNDD-BWAGFHJFSA-N 2 0 384.568 3.439 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000246113469 1433570694 /nfs/dbraw/zinc/57/06/94/1433570694.db2.gz HXFMMUOFAYEEQR-RBUKOAKNSA-N 2 0 376.545 3.098 20 0 GGADRP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246123483 1433571701 /nfs/dbraw/zinc/57/17/01/1433571701.db2.gz KMKIEBSNHHPUTJ-FXAWDEMLSA-N 2 0 394.519 3.297 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000246148677 1433574799 /nfs/dbraw/zinc/57/47/99/1433574799.db2.gz KAWFHBNQZQASNK-NVXWUHKLSA-N 2 0 382.499 3.083 20 0 GGADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246160613 1433576428 /nfs/dbraw/zinc/57/64/28/1433576428.db2.gz IPVBLJQOWQKTQS-CEXWTWQISA-N 2 0 379.589 3.035 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000246182690 1433578926 /nfs/dbraw/zinc/57/89/26/1433578926.db2.gz HJPSXTBIHDFVHK-OXQOHEQNSA-N 2 0 392.975 3.286 20 0 GGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246219961 1433583421 /nfs/dbraw/zinc/58/34/21/1433583421.db2.gz BGCCFBFQQHCBSA-FIRLOTFOSA-N 2 0 376.589 3.011 20 0 GGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246219973 1433583490 /nfs/dbraw/zinc/58/34/90/1433583490.db2.gz BGCCFBFQQHCBSA-NJYSJTHYSA-N 2 0 376.589 3.011 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246294881 1433590848 /nfs/dbraw/zinc/59/08/48/1433590848.db2.gz CQGDZTPDFOGFBP-MTNREXPMSA-N 2 0 376.541 3.130 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246297372 1433591551 /nfs/dbraw/zinc/59/15/51/1433591551.db2.gz IXKRDIQKOGWCSO-WWNPGLIZSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301085 1433592031 /nfs/dbraw/zinc/59/20/31/1433592031.db2.gz DBGSLCJLDNJWGY-WMZHIEFXSA-N 2 0 379.552 3.193 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000246317078 1433593776 /nfs/dbraw/zinc/59/37/76/1433593776.db2.gz GLRWYKGFNZIYHT-ROUUACIJSA-N 2 0 387.524 3.330 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000246324282 1433595090 /nfs/dbraw/zinc/59/50/90/1433595090.db2.gz OCVGQWMZCNANSZ-RBBKRZOGSA-N 2 0 386.584 3.272 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246324988 1433595295 /nfs/dbraw/zinc/59/52/95/1433595295.db2.gz CMBGZQKEVWIWOM-MDNUFGMLSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246334143 1433596300 /nfs/dbraw/zinc/59/63/00/1433596300.db2.gz HHRGRYUZTGWMQJ-XRYRHKQGSA-N 2 0 386.584 3.315 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337141 1433596600 /nfs/dbraw/zinc/59/66/00/1433596600.db2.gz GNSXRHLWMBTGML-DENIHFKCSA-N 2 0 392.547 3.251 20 0 GGADRP COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336897 1433596691 /nfs/dbraw/zinc/59/66/91/1433596691.db2.gz HILMNUGJSHNVTI-MJGOQNOKSA-N 2 0 383.536 3.079 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246362553 1433600697 /nfs/dbraw/zinc/60/06/97/1433600697.db2.gz NKNTVYUTAUOOGC-DFQSSKMNSA-N 2 0 386.540 3.075 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246364042 1433600907 /nfs/dbraw/zinc/60/09/07/1433600907.db2.gz KNEUPJHIHQLRQB-YUVXSKOASA-N 2 0 386.584 3.126 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246372406 1433602343 /nfs/dbraw/zinc/60/23/43/1433602343.db2.gz HRGQRJRNNBWUMG-FXAWDEMLSA-N 2 0 378.536 3.096 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000246372399 1433602415 /nfs/dbraw/zinc/60/24/15/1433602415.db2.gz QYBGMWGKQHTLRN-DENIHFKCSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246373346 1433602488 /nfs/dbraw/zinc/60/24/88/1433602488.db2.gz MADGUSWQJMOWCA-MMKMLUHNSA-N 2 0 384.568 3.021 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246373357 1433602566 /nfs/dbraw/zinc/60/25/66/1433602566.db2.gz MADGUSWQJMOWCA-UKAVVXHISA-N 2 0 384.568 3.021 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccco1 ZINC000246379524 1433603852 /nfs/dbraw/zinc/60/38/52/1433603852.db2.gz IDNSRIBHGJZCQB-YSIASYRMSA-N 2 0 388.556 3.321 20 0 GGADRP CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)ncn1 ZINC000246385646 1433604638 /nfs/dbraw/zinc/60/46/38/1433604638.db2.gz KLGSREARLREJOQ-WIYYLYMNSA-N 2 0 397.567 3.299 20 0 GGADRP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)ncn1 ZINC000246385631 1433604639 /nfs/dbraw/zinc/60/46/39/1433604639.db2.gz KLGSREARLREJOQ-NQIIRXRSSA-N 2 0 397.567 3.299 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246389190 1433605378 /nfs/dbraw/zinc/60/53/78/1433605378.db2.gz QYSWTEDGNFFEOF-RTWAWAEBSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000246477384 1433618723 /nfs/dbraw/zinc/61/87/23/1433618723.db2.gz LAWZJARWWBXULQ-FCEUIQTBSA-N 2 0 384.568 3.309 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246531548 1433626240 /nfs/dbraw/zinc/62/62/40/1433626240.db2.gz VIXWHEDKERUVPB-CDNPAEQRSA-N 3 0 389.584 3.046 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246542324 1433628011 /nfs/dbraw/zinc/62/80/11/1433628011.db2.gz WNKWDMDQQGUSND-WOJBJXKFSA-N 2 0 390.572 3.474 20 0 GGADRP CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246546052 1433629126 /nfs/dbraw/zinc/62/91/26/1433629126.db2.gz KEDPHPVZERCBKK-GHTZIAJQSA-N 2 0 389.609 3.373 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)C1 ZINC000246547641 1433629496 /nfs/dbraw/zinc/62/94/96/1433629496.db2.gz DEOSVDMEDKWEHB-QMMLZNLJSA-N 2 0 381.524 3.143 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556063 1433630437 /nfs/dbraw/zinc/63/04/37/1433630437.db2.gz WWPHCPGXEMQVHU-AUSIDOKSSA-N 2 0 392.547 3.204 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000246696405 1433651074 /nfs/dbraw/zinc/65/10/74/1433651074.db2.gz JEPHLZYGPJKGAI-MDZRGWNJSA-N 2 0 397.485 3.417 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC[C@H]21 ZINC000246710686 1433653589 /nfs/dbraw/zinc/65/35/89/1433653589.db2.gz FFDYWEHTGVGFNE-KURKYZTESA-N 2 0 376.570 3.011 20 0 GGADRP CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246714057 1433653986 /nfs/dbraw/zinc/65/39/86/1433653986.db2.gz XCUDSJFZCZNITH-MSYGRNIXSA-N 2 0 395.547 3.118 20 0 GGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000246713124 1433653993 /nfs/dbraw/zinc/65/39/93/1433653993.db2.gz UOCNSLZNMRXETB-AQNXPRMDSA-N 2 0 396.620 3.170 20 0 GGADRP Clc1ccccc1N1CCN(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246731061 1433656598 /nfs/dbraw/zinc/65/65/98/1433656598.db2.gz NYFLIZYQNZQXTQ-MOPGFXCFSA-N 2 0 376.976 3.069 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000246782350 1433665417 /nfs/dbraw/zinc/66/54/17/1433665417.db2.gz QKEZPMPJQIIJOT-YJBOKZPZSA-N 2 0 383.458 3.314 20 0 GGADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246783424 1433665908 /nfs/dbraw/zinc/66/59/08/1433665908.db2.gz BGWDQQGIQUBZKQ-WOJBJXKFSA-N 2 0 386.584 3.413 20 0 GGADRP CCOC(=O)N[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)CC(C)C ZINC000246826959 1433674727 /nfs/dbraw/zinc/67/47/27/1433674727.db2.gz BKQGUFXXADQFHZ-HOJAQTOUSA-N 2 0 376.545 3.042 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246828175 1433675286 /nfs/dbraw/zinc/67/52/86/1433675286.db2.gz DRRFJKRMGYTROF-ZWKOTPCHSA-N 2 0 378.586 3.162 20 0 GGADRP C(CCN1CCC[C@H]1C[NH+]1CCCC1)CC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000246853430 1433678601 /nfs/dbraw/zinc/67/86/01/1433678601.db2.gz DDJMYFPGJACHSS-GOTSBHOMSA-N 2 0 376.633 3.277 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246862654 1433679688 /nfs/dbraw/zinc/67/96/88/1433679688.db2.gz DAENXYVYUOBEHL-RTBURBONSA-N 2 0 398.551 3.098 20 0 GGADRP CC(C)c1ccc(CCNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246882215 1433682423 /nfs/dbraw/zinc/68/24/23/1433682423.db2.gz QPBTUCJGAZVTNJ-JTHBVZDNSA-N 2 0 383.580 3.417 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000246886814 1433682717 /nfs/dbraw/zinc/68/27/17/1433682717.db2.gz FFOLKXOEUMJCIK-RTBURBONSA-N 2 0 398.551 3.098 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCC[NH+](Cc4cccs4)C3)CC[C@@H]21 ZINC000246894946 1433684088 /nfs/dbraw/zinc/68/40/88/1433684088.db2.gz MDJNCUSCWVZLBW-GGPKGHCWSA-N 2 0 390.597 3.086 20 0 GGADRP CCN(CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913822 1433686570 /nfs/dbraw/zinc/68/65/70/1433686570.db2.gz GATLTDZCWCFWCI-MJGOQNOKSA-N 2 0 376.545 3.139 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 ZINC000247210468 1433691496 /nfs/dbraw/zinc/69/14/96/1433691496.db2.gz WXBQYRNEVNYWCF-QZTJIDSGSA-N 2 0 381.586 3.100 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000247250148 1433696354 /nfs/dbraw/zinc/69/63/54/1433696354.db2.gz WCWMRTRTRGIDJR-QFBILLFUSA-N 2 0 378.948 3.118 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247332409 1433708455 /nfs/dbraw/zinc/70/84/55/1433708455.db2.gz JJWFOHCRAWSOQL-FGZHOGPDSA-N 2 0 384.568 3.311 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000247342039 1433710390 /nfs/dbraw/zinc/71/03/90/1433710390.db2.gz NWMSURNWAOBDQT-HKUYNNGSSA-N 2 0 383.577 3.113 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247349623 1433711146 /nfs/dbraw/zinc/71/11/46/1433711146.db2.gz LDKQSGDSZNAVAM-DHIUTWEWSA-N 2 0 398.595 3.211 20 0 GGADRP C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247406641 1433718156 /nfs/dbraw/zinc/71/81/56/1433718156.db2.gz PVMKMVGPPNATOI-ZGXWSNOMSA-N 2 0 387.568 3.264 20 0 GGADRP COc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412411 1433719533 /nfs/dbraw/zinc/71/95/33/1433719533.db2.gz ZISMVNXFCKHMOM-DYESRHJHSA-N 2 0 381.520 3.243 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247460211 1433725408 /nfs/dbraw/zinc/72/54/08/1433725408.db2.gz UIKHWUZJHWTASA-CEMLEFRQSA-N 2 0 386.584 3.317 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000247465463 1433725803 /nfs/dbraw/zinc/72/58/03/1433725803.db2.gz UTKGLNUPHDSTFQ-RTBURBONSA-N 2 0 392.613 3.237 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000247485208 1433728503 /nfs/dbraw/zinc/72/85/03/1433728503.db2.gz KMHRTVHXSNUHER-IRLDBZIGSA-N 2 0 379.504 3.466 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000247485291 1433728522 /nfs/dbraw/zinc/72/85/22/1433728522.db2.gz WLPSHMXALNDAMV-QFBILLFUSA-N 2 0 380.964 3.220 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247494581 1433729712 /nfs/dbraw/zinc/72/97/12/1433729712.db2.gz WKLHCSWZMUXWSM-PKTZIBPZSA-N 2 0 398.595 3.115 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000247519391 1433732445 /nfs/dbraw/zinc/73/24/45/1433732445.db2.gz ZYZSIBKXAHZHKZ-RXVVDRJESA-N 2 0 395.551 3.080 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000247529225 1433733954 /nfs/dbraw/zinc/73/39/54/1433733954.db2.gz OUJFPJOFRIKCIB-HMXCVIKNSA-N 2 0 381.524 3.285 20 0 GGADRP O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247640950 1433742120 /nfs/dbraw/zinc/74/21/20/1433742120.db2.gz SXLCWGUWOSLIPC-FUHWJXTLSA-N 2 0 386.458 3.253 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936514 1433757045 /nfs/dbraw/zinc/75/70/45/1433757045.db2.gz CNPAHJPERKAYOI-DYESRHJHSA-N 2 0 381.520 3.243 20 0 GGADRP CC[N@@H+]1CC[C@H](NCc2cccc(NC(=O)NCc3ccncc3)c2)[C@@H](C)C1 ZINC000247961433 1433759283 /nfs/dbraw/zinc/75/92/83/1433759283.db2.gz GHGWYXOJGHEKEY-UWJYYQICSA-N 2 0 381.524 3.223 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000248162679 1433776282 /nfs/dbraw/zinc/77/62/82/1433776282.db2.gz SKLQJYCYWXSXNR-CBQOVEMMSA-N 2 0 384.568 3.165 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000248230218 1433781192 /nfs/dbraw/zinc/78/11/92/1433781192.db2.gz QYCXSYDQURJWAB-CTNGQTDRSA-N 2 0 378.605 3.404 20 0 GGADRP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248388852 1433792967 /nfs/dbraw/zinc/79/29/67/1433792967.db2.gz AGICXKDLKSHTFQ-DNVJHFABSA-N 2 0 377.532 3.218 20 0 GGADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248390015 1433793554 /nfs/dbraw/zinc/79/35/54/1433793554.db2.gz BEJUDJGXKRTVJJ-WXFUMESZSA-N 2 0 391.559 3.479 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000248393199 1433794750 /nfs/dbraw/zinc/79/47/50/1433794750.db2.gz GKUUVJRIYJBCDW-DBXWQHBBSA-N 2 0 386.511 3.312 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248396086 1433795063 /nfs/dbraw/zinc/79/50/63/1433795063.db2.gz GVZHGFXDBFAOOF-UBFVSLLYSA-N 3 0 398.639 3.294 20 0 GGADRP COCCC[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395176 1433795126 /nfs/dbraw/zinc/79/51/26/1433795126.db2.gz FZZGPPMUTWQUDF-QPTUXGOLSA-N 2 0 385.596 3.378 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395119 1433795354 /nfs/dbraw/zinc/79/53/54/1433795354.db2.gz FYRTVKQEWXDYRP-UBFVSLLYSA-N 3 0 398.639 3.150 20 0 GGADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397554 1433795862 /nfs/dbraw/zinc/79/58/62/1433795862.db2.gz IAAHUWHAGNLQBV-AQNXPRMDSA-N 2 0 378.605 3.451 20 0 GGADRP Cc1ccc(CNC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248397093 1433795883 /nfs/dbraw/zinc/79/58/83/1433795883.db2.gz LAVIAFKUPLIMEX-GZOXUSKESA-N 2 0 379.548 3.357 20 0 GGADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397553 1433795888 /nfs/dbraw/zinc/79/58/88/1433795888.db2.gz IAAHUWHAGNLQBV-AABGKKOBSA-N 2 0 378.605 3.451 20 0 GGADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248401540 1433797679 /nfs/dbraw/zinc/79/76/79/1433797679.db2.gz LVFZBIBWIFVWFQ-YRPNKDGESA-N 2 0 378.605 3.307 20 0 GGADRP C[C@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405413 1433799059 /nfs/dbraw/zinc/79/90/59/1433799059.db2.gz RIWIABCTJKDPQM-RRPUWOKSSA-N 2 0 399.579 3.047 20 0 GGADRP OCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408322 1433800243 /nfs/dbraw/zinc/80/02/43/1433800243.db2.gz VKBXVYYEZYCPIP-RJGXRXQPSA-N 2 0 380.532 3.448 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409070 1433800265 /nfs/dbraw/zinc/80/02/65/1433800265.db2.gz WHOLOVCTEIMLEQ-UNWVZKJWSA-N 2 0 395.522 3.446 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000248410734 1433800360 /nfs/dbraw/zinc/80/03/60/1433800360.db2.gz HKUTYWOWULCPFN-PESUVLPXSA-N 3 0 385.596 3.376 20 0 GGADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000248411952 1433800688 /nfs/dbraw/zinc/80/06/88/1433800688.db2.gz ZTWGYCJPLGLTCT-DYXWJJEUSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)NCc1ccccc1 ZINC000248416906 1433800994 /nfs/dbraw/zinc/80/09/94/1433800994.db2.gz QIGBSCNXMUICID-XSEFMFLKSA-N 2 0 377.532 3.192 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248428333 1433801841 /nfs/dbraw/zinc/80/18/41/1433801841.db2.gz ASBNTNXPIKKESZ-AUSIDOKSSA-N 3 0 397.563 3.044 20 0 GGADRP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@@H](OCC)C3(C)C)COC2)C1(C)C ZINC000248450578 1433803649 /nfs/dbraw/zinc/80/36/49/1433803649.db2.gz YCWJVJTZZDJGQY-VNTMZGSJSA-N 2 0 396.616 3.274 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cnn(Cc2ccccc2)c1 ZINC000248449904 1433803746 /nfs/dbraw/zinc/80/37/46/1433803746.db2.gz OSWNKEGKTJVTGP-NTKDMRAZSA-N 2 0 390.531 3.349 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000248452569 1433803889 /nfs/dbraw/zinc/80/38/89/1433803889.db2.gz QAPAYXJMDIJOIR-JPYJTQIMSA-N 2 0 391.519 3.075 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248456662 1433804245 /nfs/dbraw/zinc/80/42/45/1433804245.db2.gz SKJFNDSGNOFIDQ-HXOBKFHXSA-N 2 0 381.520 3.453 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248456323 1433804346 /nfs/dbraw/zinc/80/43/46/1433804346.db2.gz SEVAGGNIWKBGGE-PGRDOPGGSA-N 2 0 384.520 3.129 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248458435 1433804480 /nfs/dbraw/zinc/80/44/80/1433804480.db2.gz URGRADMOZXVWTI-HNAYVOBHSA-N 2 0 389.565 3.058 20 0 GGADRP COc1cccc(C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C2CC2)c1 ZINC000248459516 1433804677 /nfs/dbraw/zinc/80/46/77/1433804677.db2.gz VTMKPQORWPKLGR-VWNXMTODSA-N 2 0 380.532 3.373 20 0 GGADRP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc2ccccc2n1C ZINC000248462743 1433804887 /nfs/dbraw/zinc/80/48/87/1433804887.db2.gz YMAJKVLTQUTUBB-PXNSSMCTSA-N 2 0 378.520 3.381 20 0 GGADRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccnc1 ZINC000248498623 1433805968 /nfs/dbraw/zinc/80/59/68/1433805968.db2.gz MJHYGCQAOLHKMB-FGZHOGPDSA-N 2 0 380.536 3.410 20 0 GGADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248585912 1433809834 /nfs/dbraw/zinc/80/98/34/1433809834.db2.gz PYYVIVZDRYPLKI-HQRMLTQVSA-N 2 0 378.944 3.337 20 0 GGADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248585914 1433809908 /nfs/dbraw/zinc/80/99/08/1433809908.db2.gz PYYVIVZDRYPLKI-ILZDJORESA-N 2 0 378.944 3.337 20 0 GGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248652072 1433813739 /nfs/dbraw/zinc/81/37/39/1433813739.db2.gz XUMZNSYRSKQPOT-CRAIPNDOSA-N 2 0 387.549 3.305 20 0 GGADRP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cnn1C(C)C ZINC000248688146 1433815386 /nfs/dbraw/zinc/81/53/86/1433815386.db2.gz IBDZSJAGAVMXPS-DYESRHJHSA-N 2 0 397.567 3.321 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248733733 1433818546 /nfs/dbraw/zinc/81/85/46/1433818546.db2.gz KHCMSUMYDUWTHC-XZOQPEGZSA-N 2 0 377.532 3.289 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770461 1433821444 /nfs/dbraw/zinc/82/14/44/1433821444.db2.gz XZHFBWIJJYYLOB-CEXWTWQISA-N 2 0 383.577 3.111 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248770115 1433821548 /nfs/dbraw/zinc/82/15/48/1433821548.db2.gz SLLXNPMJJQPPQC-FGZHOGPDSA-N 2 0 386.584 3.176 20 0 GGADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000248833041 1433824763 /nfs/dbraw/zinc/82/47/63/1433824763.db2.gz MJLODTVIBUGZMX-NDUMYTTKSA-N 2 0 380.573 3.057 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)C[C@H](C)O1 ZINC000248892593 1433828115 /nfs/dbraw/zinc/82/81/15/1433828115.db2.gz SLDMVETXVPKMJR-SVMVAKDDSA-N 2 0 385.552 3.151 20 0 GGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248917235 1433829494 /nfs/dbraw/zinc/82/94/94/1433829494.db2.gz DKSDJZYKJQPODZ-FCHUYYIVSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248945938 1433830186 /nfs/dbraw/zinc/83/01/86/1433830186.db2.gz DLAKMBDRHVTVPS-CBGDNZLLSA-N 2 0 383.492 3.374 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCNc4ccccc43)c2)C1 ZINC000249058508 1433833329 /nfs/dbraw/zinc/83/33/29/1433833329.db2.gz ZKGFAVMMVSJWDA-NFBKMPQASA-N 2 0 392.547 3.421 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192800 1433838539 /nfs/dbraw/zinc/83/85/39/1433838539.db2.gz OUQNLABJRLEYSS-ZAWLATJESA-N 2 0 385.474 3.365 20 0 GGADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249197372 1433838783 /nfs/dbraw/zinc/83/87/83/1433838783.db2.gz RMBXLPSOIMJHSB-LAUBAEHRSA-N 2 0 383.511 3.244 20 0 GGADRP CCN(C(=O)NC[C@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249271841 1433839998 /nfs/dbraw/zinc/83/99/98/1433839998.db2.gz BLWNSAZSPCUKOL-YADHBBJMSA-N 2 0 386.584 3.270 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283189 1433840398 /nfs/dbraw/zinc/84/03/98/1433840398.db2.gz HHDLXAAYKPJPAI-OALUTQOASA-N 2 0 399.560 3.204 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000249346927 1433841539 /nfs/dbraw/zinc/84/15/39/1433841539.db2.gz OOJRHMJMRHKBKY-WTIAFYNJSA-N 2 0 395.547 3.163 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000249346922 1433841567 /nfs/dbraw/zinc/84/15/67/1433841567.db2.gz OOJRHMJMRHKBKY-UEVCKROQSA-N 2 0 395.547 3.163 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420353 1433843419 /nfs/dbraw/zinc/84/34/19/1433843419.db2.gz HLANWLZFZTXJSI-VDGAXYAQSA-N 2 0 393.959 3.172 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)C1 ZINC000249524142 1433846179 /nfs/dbraw/zinc/84/61/79/1433846179.db2.gz QRIPAIRCOJBWFG-WOIUINJBSA-N 2 0 398.595 3.448 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000249682324 1433848809 /nfs/dbraw/zinc/84/88/09/1433848809.db2.gz ACWSIEGMYOSOAJ-YLJYHZDGSA-N 2 0 378.536 3.240 20 0 GGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000249712725 1433849464 /nfs/dbraw/zinc/84/94/64/1433849464.db2.gz ZDRGDGZXWWYZKO-QFIPXVFZSA-N 2 0 382.552 3.173 20 0 GGADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)CC1 ZINC000249792836 1433852070 /nfs/dbraw/zinc/85/20/70/1433852070.db2.gz VNQMTZKIBHXMDW-HSZRJFAPSA-N 2 0 392.547 3.432 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000250120881 1433854681 /nfs/dbraw/zinc/85/46/81/1433854681.db2.gz VGESIBAHMISDCQ-ZWKOTPCHSA-N 2 0 378.582 3.221 20 0 GGADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291410 1433855709 /nfs/dbraw/zinc/85/57/09/1433855709.db2.gz SWFRHLMXGGLLJG-FCHUYYIVSA-N 2 0 390.568 3.017 20 0 GGADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000250658163 1433857184 /nfs/dbraw/zinc/85/71/84/1433857184.db2.gz XJUXHTDWBKZYLH-JTHBVZDNSA-N 2 0 395.522 3.428 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000251545731 1433858758 /nfs/dbraw/zinc/85/87/58/1433858758.db2.gz GURZXWGTIDHHJU-URLQWDBASA-N 2 0 396.938 3.065 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000251685651 1433859860 /nfs/dbraw/zinc/85/98/60/1433859860.db2.gz OBSVCSBBOGINEA-BHIFYINESA-N 2 0 384.568 3.023 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000252179700 1433862884 /nfs/dbraw/zinc/86/28/84/1433862884.db2.gz SSCDYROUZAQROP-VAMGGRTRSA-N 2 0 390.572 3.474 20 0 GGADRP COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)C(C)C)cc1 ZINC000253553903 1433869162 /nfs/dbraw/zinc/86/91/62/1433869162.db2.gz AKMTYULQRPZQGN-FDDCHVKYSA-N 2 0 398.551 3.197 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1nc2ccccc2s1 ZINC000255734983 1433888769 /nfs/dbraw/zinc/88/87/69/1433888769.db2.gz HKXFJHMECMVVMJ-WFTPILKQSA-N 2 0 386.565 3.184 20 0 GGADRP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000255957895 1433892864 /nfs/dbraw/zinc/89/28/64/1433892864.db2.gz JNGDKRKDVGDZLM-VQTJNVASSA-N 2 0 386.584 3.450 20 0 GGADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000261650371 1433898085 /nfs/dbraw/zinc/89/80/85/1433898085.db2.gz GHSUJYWDJABJIE-ZRBLBEILSA-N 2 0 377.532 3.100 20 0 GGADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000261650368 1433898094 /nfs/dbraw/zinc/89/80/94/1433898094.db2.gz GHSUJYWDJABJIE-ZLNRFVROSA-N 2 0 377.532 3.100 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261649457 1433898127 /nfs/dbraw/zinc/89/81/27/1433898127.db2.gz ALFJVIKHNRWAFG-REWPJTCUSA-N 2 0 377.532 3.434 20 0 GGADRP [NH3+]C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000261701638 1433899316 /nfs/dbraw/zinc/89/93/16/1433899316.db2.gz JSHGGMFLWQFPQW-PKTZIBPZSA-N 2 0 377.532 3.100 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261747106 1433901139 /nfs/dbraw/zinc/90/11/39/1433901139.db2.gz PUIJPDXRMUMYRS-QUCCMNQESA-N 2 0 390.487 3.022 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1)C1CC1 ZINC000261807438 1433905069 /nfs/dbraw/zinc/90/50/69/1433905069.db2.gz RGMVHCWVNRNCGH-GGAORHGYSA-N 2 0 377.532 3.485 20 0 GGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261820221 1433905579 /nfs/dbraw/zinc/90/55/79/1433905579.db2.gz KGLRBUDMGUPJTC-RVKKMQEKSA-N 2 0 399.457 3.226 20 0 GGADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880032 1433909382 /nfs/dbraw/zinc/90/93/82/1433909382.db2.gz PAYJAYBBDAIQEG-RKVPGOIHSA-N 2 0 383.458 3.347 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261969784 1433918055 /nfs/dbraw/zinc/91/80/55/1433918055.db2.gz CVDQQYQZWMFEDY-AWEZNQCLSA-N 2 0 387.446 3.084 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261981110 1433919215 /nfs/dbraw/zinc/91/92/15/1433919215.db2.gz RIRWOMXKOBDWFA-YJBOKZPZSA-N 2 0 383.458 3.094 20 0 GGADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000262015022 1433922367 /nfs/dbraw/zinc/92/23/67/1433922367.db2.gz MQUIIOWOIMPGQE-OAQYLSRUSA-N 2 0 381.520 3.085 20 0 GGADRP c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262074357 1433926007 /nfs/dbraw/zinc/92/60/07/1433926007.db2.gz CWCDUFCFJKACBL-FQEVSTJZSA-N 2 0 393.560 3.080 20 0 GGADRP Clc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262102389 1433926930 /nfs/dbraw/zinc/92/69/30/1433926930.db2.gz IWXQHHMRAARAAA-HXUWFJFHSA-N 2 0 385.939 3.399 20 0 GGADRP c1c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000262168419 1433929534 /nfs/dbraw/zinc/92/95/34/1433929534.db2.gz UQEPBMISTQJNBH-QHCPKHFHSA-N 2 0 387.531 3.019 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@@H]1c1cccs1 ZINC000262278892 1433933380 /nfs/dbraw/zinc/93/33/80/1433933380.db2.gz LKVKYBCCTMAVKH-MOMQOBQFSA-N 2 0 375.582 3.401 20 0 GGADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262280656 1433933552 /nfs/dbraw/zinc/93/35/52/1433933552.db2.gz LTGFJVGSQQOOBC-SYURHXKASA-N 2 0 384.568 3.300 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262309753 1433934253 /nfs/dbraw/zinc/93/42/53/1433934253.db2.gz AGMJPLQYKBITIK-HOTGVXAUSA-N 2 0 386.565 3.052 20 0 GGADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC[NH2+]1 ZINC000262343961 1433935930 /nfs/dbraw/zinc/93/59/30/1433935930.db2.gz HISXVIVKMNEMNR-ROUUACIJSA-N 2 0 386.540 3.218 20 0 GGADRP CCC(CC)(CNC(=O)C1(COC)CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000262364053 1433936687 /nfs/dbraw/zinc/93/66/87/1433936687.db2.gz KTNZLUBIJDLJHA-SFHVURJKSA-N 2 0 375.557 3.028 20 0 GGADRP C[C@@H]1CN(Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262395963 1433937661 /nfs/dbraw/zinc/93/76/61/1433937661.db2.gz OTOWGFDLFSZWFM-XSJQEUCJSA-N 2 0 385.552 3.388 20 0 GGADRP CCCN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262433645 1433938855 /nfs/dbraw/zinc/93/88/55/1433938855.db2.gz WYGHJHJDKBRQFQ-SFHVURJKSA-N 2 0 386.565 3.161 20 0 GGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262664065 1433948525 /nfs/dbraw/zinc/94/85/25/1433948525.db2.gz IAUIJISGEGXZCO-NRFANRHFSA-N 2 0 394.519 3.010 20 0 GGADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)cc2)CC1 ZINC000262710065 1433951583 /nfs/dbraw/zinc/95/15/83/1433951583.db2.gz FFVUOYDMVJMQPZ-FQEVSTJZSA-N 2 0 381.524 3.292 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCCC1)c1ccccc1 ZINC000262740926 1433953187 /nfs/dbraw/zinc/95/31/87/1433953187.db2.gz JGZGCLZRBQZKMD-ICSRJNTNSA-N 2 0 395.551 3.201 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747930 1433953669 /nfs/dbraw/zinc/95/36/69/1433953669.db2.gz KBEBYAVHQYFFGW-IRLDBZIGSA-N 2 0 395.551 3.011 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763501 1433954564 /nfs/dbraw/zinc/95/45/64/1433954564.db2.gz FGQCKVYMMVIKMN-NFBKMPQASA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1(C)C ZINC000262778828 1433955516 /nfs/dbraw/zinc/95/55/16/1433955516.db2.gz KEAGKFZBSZWHKH-WAOWUJCRSA-N 2 0 395.975 3.372 20 0 GGADRP C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262777213 1433955550 /nfs/dbraw/zinc/95/55/50/1433955550.db2.gz JOAGFWJMFJQGRS-SFHVURJKSA-N 2 0 377.532 3.249 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262803853 1433957434 /nfs/dbraw/zinc/95/74/34/1433957434.db2.gz SAPYRPDGOSMYBM-BLIXFSHQSA-N 2 0 393.597 3.170 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262825262 1433959338 /nfs/dbraw/zinc/95/93/38/1433959338.db2.gz ZLPJZHKYJARSQC-MZKRTTBSSA-N 2 0 387.568 3.108 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262825267 1433959448 /nfs/dbraw/zinc/95/94/48/1433959448.db2.gz ZLPJZHKYJARSQC-VIZSFHNOSA-N 2 0 387.568 3.108 20 0 GGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262831929 1433959871 /nfs/dbraw/zinc/95/98/71/1433959871.db2.gz SCBKLYBLSUWIIS-FQEVSTJZSA-N 2 0 381.524 3.436 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)cc2)C1 ZINC000262834195 1433960014 /nfs/dbraw/zinc/96/00/14/1433960014.db2.gz SJRIORMPYKNQTL-YLJYHZDGSA-N 2 0 381.524 3.292 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)cc2)C1 ZINC000262834184 1433960140 /nfs/dbraw/zinc/96/01/40/1433960140.db2.gz SJRIORMPYKNQTL-FXAWDEMLSA-N 2 0 381.524 3.292 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262856013 1433961958 /nfs/dbraw/zinc/96/19/58/1433961958.db2.gz VXFJWIVMTDOCHR-OAQYLSRUSA-N 2 0 395.551 3.114 20 0 GGADRP C[C@@]([NH3+])(C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000262948656 1433969571 /nfs/dbraw/zinc/96/95/71/1433969571.db2.gz VHEBBMVEFPXAED-QHCPKHFHSA-N 2 0 394.519 3.314 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263168287 1433991500 /nfs/dbraw/zinc/99/15/00/1433991500.db2.gz FMEFWMPBRCHMGL-TZIWHRDSSA-N 2 0 393.959 3.207 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCCC2)cc1 ZINC000263254823 1433998859 /nfs/dbraw/zinc/99/88/59/1433998859.db2.gz QHASUWCBPJRDLY-GDEIGGTMSA-N 2 0 399.579 3.492 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1OC ZINC000263299168 1434000981 /nfs/dbraw/zinc/00/09/81/1434000981.db2.gz WVOQODWDBUNNBX-DYESRHJHSA-N 2 0 377.529 3.262 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1OC ZINC000263299170 1434001084 /nfs/dbraw/zinc/00/10/84/1434001084.db2.gz WVOQODWDBUNNBX-LAUBAEHRSA-N 2 0 377.529 3.262 20 0 GGADRP O=C(CCC1CC[NH2+]CC1)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000263306131 1434001172 /nfs/dbraw/zinc/00/11/72/1434001172.db2.gz XWRSBLFHTQHNCC-UHFFFAOYSA-N 2 0 386.540 3.219 20 0 GGADRP CCOc1c(OC)cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000263667981 1434017943 /nfs/dbraw/zinc/01/79/43/1434017943.db2.gz IZPZLMWDWNTLEY-CALCHBBNSA-N 2 0 380.529 3.082 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000263811883 1434036655 /nfs/dbraw/zinc/03/66/55/1434036655.db2.gz WVNNJUBSFVKQKV-UHFFFAOYSA-N 2 0 375.557 3.149 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000264217279 1434083328 /nfs/dbraw/zinc/08/33/28/1434083328.db2.gz STLQBDUYEVGUFX-JOCHJYFZSA-N 2 0 398.595 3.211 20 0 GGADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264337098 1434098829 /nfs/dbraw/zinc/09/88/29/1434098829.db2.gz XYXOVPCUODXTCH-UHFFFAOYSA-N 2 0 385.552 3.047 20 0 GGADRP C[N@H+](CCCCCn1cccn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264359330 1434101603 /nfs/dbraw/zinc/10/16/03/1434101603.db2.gz JGEKYPGTCNCEDU-QHCPKHFHSA-N 2 0 384.568 3.431 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264749026 1434151501 /nfs/dbraw/zinc/15/15/01/1434151501.db2.gz LYVXKGUHJCLUPZ-UHFFFAOYSA-N 2 0 385.552 3.047 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000265253581 1434207754 /nfs/dbraw/zinc/20/77/54/1434207754.db2.gz KSZXVJTYPLRYEY-DENIHFKCSA-N 2 0 387.568 3.149 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000265253583 1434208152 /nfs/dbraw/zinc/20/81/52/1434208152.db2.gz KSZXVJTYPLRYEY-KNQAVFIVSA-N 2 0 387.568 3.149 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OCC ZINC000265647411 1434253329 /nfs/dbraw/zinc/25/33/29/1434253329.db2.gz WQLXJSRONRMGBU-UHFFFAOYSA-N 2 0 399.535 3.065 20 0 GGADRP Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000265711568 1434259187 /nfs/dbraw/zinc/25/91/87/1434259187.db2.gz LPZHGFBBTIGFQC-UHFFFAOYSA-N 2 0 388.556 3.418 20 0 GGADRP CCOC(=O)CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000265811090 1434267010 /nfs/dbraw/zinc/26/70/10/1434267010.db2.gz PVKQDHALYJMJSF-OAQYLSRUSA-N 2 0 376.541 3.097 20 0 GGADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2)c1 ZINC000265832057 1434269887 /nfs/dbraw/zinc/26/98/87/1434269887.db2.gz DCJUAFNEQPPOLC-UHFFFAOYSA-N 2 0 386.492 3.042 20 0 GGADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000265833805 1434270264 /nfs/dbraw/zinc/27/02/64/1434270264.db2.gz DNHMNBCLSIZCRH-UHFFFAOYSA-N 2 0 397.350 3.093 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000265842400 1434271460 /nfs/dbraw/zinc/27/14/60/1434271460.db2.gz GQWSESKJEXOIJQ-UHFFFAOYSA-N 2 0 390.531 3.145 20 0 GGADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000266006853 1434295704 /nfs/dbraw/zinc/29/57/04/1434295704.db2.gz IFOPXOGCJZDLFD-UHFFFAOYSA-N 2 0 394.519 3.085 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000266284198 1434316394 /nfs/dbraw/zinc/31/63/94/1434316394.db2.gz BNGDIKBYQMGZSJ-HXUWFJFHSA-N 2 0 386.584 3.021 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266636271 1434357091 /nfs/dbraw/zinc/35/70/91/1434357091.db2.gz JSNBWXWILZGAFT-UHFFFAOYSA-N 2 0 387.568 3.245 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078597 1434405938 /nfs/dbraw/zinc/40/59/38/1434405938.db2.gz UNPPQRIRBSDWRF-XMSQKQJNSA-N 2 0 381.495 3.300 20 0 GGADRP CN(C)c1ncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000267193775 1434413329 /nfs/dbraw/zinc/41/33/29/1434413329.db2.gz NAMBSEUDHQVCES-UHFFFAOYSA-N 2 0 388.581 3.370 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000267298167 1434420510 /nfs/dbraw/zinc/42/05/10/1434420510.db2.gz FANNXQFOAZBICX-PGRDOPGGSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000267298159 1434420563 /nfs/dbraw/zinc/42/05/63/1434420563.db2.gz FANNXQFOAZBICX-AVRDEDQJSA-N 2 0 384.568 3.071 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267325199 1434423028 /nfs/dbraw/zinc/42/30/28/1434423028.db2.gz DYQVKHSDNHDAIO-DENIHFKCSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000267359275 1434425586 /nfs/dbraw/zinc/42/55/86/1434425586.db2.gz IYMWDTFGONLGOZ-DENIHFKCSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H](c1ccco1)N(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000267958735 1434481230 /nfs/dbraw/zinc/48/12/30/1434481230.db2.gz WMFJFYSOICTDNR-SFHVURJKSA-N 2 0 397.523 3.122 20 0 GGADRP C[C@H](c1ccco1)N(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000267958731 1434481233 /nfs/dbraw/zinc/48/12/33/1434481233.db2.gz WMFJFYSOICTDNR-GOSISDBHSA-N 2 0 397.523 3.122 20 0 GGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268409575 1434520032 /nfs/dbraw/zinc/52/00/32/1434520032.db2.gz HCXKNHGKNJHZNU-UHFFFAOYSA-N 2 0 376.932 3.159 20 0 GGADRP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268746558 1434552581 /nfs/dbraw/zinc/55/25/81/1434552581.db2.gz HZXFNTKHFUUMPL-IERDGZPVSA-N 2 0 388.508 3.028 20 0 GGADRP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268782810 1434556762 /nfs/dbraw/zinc/55/67/62/1434556762.db2.gz BGHYCRQCOJZVCU-GOSISDBHSA-N 2 0 390.549 3.142 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268806404 1434559269 /nfs/dbraw/zinc/55/92/69/1434559269.db2.gz BYKMPVLOJWXLGF-QGZVFWFLSA-N 2 0 376.545 3.368 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805815 1434559303 /nfs/dbraw/zinc/55/93/03/1434559303.db2.gz HHPUMPYDGOGQPD-HSALFYBXSA-N 2 0 375.557 3.063 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCN1Cc1ccccc1 ZINC000268808437 1434559850 /nfs/dbraw/zinc/55/98/50/1434559850.db2.gz LMMSHKOKQOVHQC-OFNKIYASSA-N 2 0 384.612 3.188 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000268838617 1434563035 /nfs/dbraw/zinc/56/30/35/1434563035.db2.gz SYMTXWFUHHDZBO-FQEVSTJZSA-N 2 0 399.583 3.067 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268840920 1434563199 /nfs/dbraw/zinc/56/31/99/1434563199.db2.gz QSAFNPLZNKDVKJ-KRWDZBQOSA-N 2 0 381.520 3.370 20 0 GGADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839551 1434563341 /nfs/dbraw/zinc/56/33/41/1434563341.db2.gz QMSRHMPWNJLMAT-LAUBAEHRSA-N 2 0 387.549 3.201 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268859585 1434565254 /nfs/dbraw/zinc/56/52/54/1434565254.db2.gz FOJRUAIZUOIRAA-SFHVURJKSA-N 2 0 399.535 3.431 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268862862 1434565640 /nfs/dbraw/zinc/56/56/40/1434565640.db2.gz CDMLUNCCQZPIAL-LJQANCHMSA-N 2 0 383.536 3.314 20 0 GGADRP C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268870695 1434566332 /nfs/dbraw/zinc/56/63/32/1434566332.db2.gz HJCAMHUBNCKODC-GOSISDBHSA-N 2 0 383.536 3.222 20 0 GGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875029 1434566961 /nfs/dbraw/zinc/56/69/61/1434566961.db2.gz GTWFUXVZLQCRDP-UGKGYDQZSA-N 2 0 393.531 3.170 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881644 1434567643 /nfs/dbraw/zinc/56/76/43/1434567643.db2.gz HZQRUJGLAUILMO-QTEQDKRBSA-N 2 0 389.584 3.311 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881640 1434567657 /nfs/dbraw/zinc/56/76/57/1434567657.db2.gz HZQRUJGLAUILMO-MZKRTTBSSA-N 2 0 389.584 3.311 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000268901636 1434568923 /nfs/dbraw/zinc/56/89/23/1434568923.db2.gz LHYDZEQPRUQNBC-KNKQGSTJSA-N 2 0 378.557 3.499 20 0 GGADRP C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268902912 1434569357 /nfs/dbraw/zinc/56/93/57/1434569357.db2.gz OYVFFUFFTSGBBJ-GOSISDBHSA-N 2 0 383.536 3.222 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000268921079 1434571298 /nfs/dbraw/zinc/57/12/98/1434571298.db2.gz QEIJHDLSKDYIDW-SFHVURJKSA-N 2 0 389.588 3.141 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268960705 1434575901 /nfs/dbraw/zinc/57/59/01/1434575901.db2.gz XNFBBUNRYCFPIY-KSFYIVLOSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000268972102 1434577143 /nfs/dbraw/zinc/57/71/43/1434577143.db2.gz ZPZOLTBBNIZDQF-FXAWDEMLSA-N 2 0 376.545 3.104 20 0 GGADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268979299 1434578189 /nfs/dbraw/zinc/57/81/89/1434578189.db2.gz KHHHYDZGZVCDRH-SFHVURJKSA-N 2 0 394.519 3.021 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000268985539 1434578776 /nfs/dbraw/zinc/57/87/76/1434578776.db2.gz FLQHKUNUAKABRD-MSOLQXFVSA-N 2 0 388.556 3.368 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000268985548 1434578887 /nfs/dbraw/zinc/57/88/87/1434578887.db2.gz FLQHKUNUAKABRD-ZWKOTPCHSA-N 2 0 388.556 3.368 20 0 GGADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268990311 1434579071 /nfs/dbraw/zinc/57/90/71/1434579071.db2.gz GEGDJSXCLJVRFU-GOSISDBHSA-N 2 0 375.557 3.352 20 0 GGADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268990312 1434579122 /nfs/dbraw/zinc/57/91/22/1434579122.db2.gz GEGDJSXCLJVRFU-SFHVURJKSA-N 2 0 375.557 3.352 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269021809 1434582555 /nfs/dbraw/zinc/58/25/55/1434582555.db2.gz PTTURTQKPOLNEE-HNNXBMFYSA-N 2 0 375.513 3.027 20 0 GGADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269055590 1434586176 /nfs/dbraw/zinc/58/61/76/1434586176.db2.gz GLRFPTMLMLERAI-GOTSBHOMSA-N 2 0 399.579 3.170 20 0 GGADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269055591 1434586239 /nfs/dbraw/zinc/58/62/39/1434586239.db2.gz GLRFPTMLMLERAI-PKTZIBPZSA-N 2 0 399.579 3.170 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269057781 1434586457 /nfs/dbraw/zinc/58/64/57/1434586457.db2.gz XEXRFHYLDDOZNX-OAHLLOKOSA-N 2 0 375.513 3.027 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269127953 1434595375 /nfs/dbraw/zinc/59/53/75/1434595375.db2.gz YVBJNPRGDKRVRY-GJZGRUSLSA-N 2 0 389.462 3.369 20 0 GGADRP [NH3+]C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000269226776 1434610089 /nfs/dbraw/zinc/61/00/89/1434610089.db2.gz AMEFMHRJKWVZGL-OAQYLSRUSA-N 2 0 394.519 3.182 20 0 GGADRP CC[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269226938 1434610186 /nfs/dbraw/zinc/61/01/86/1434610186.db2.gz FTGVSBYSBQQVHS-UHFFFAOYSA-N 2 0 394.523 3.096 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264511 1434614986 /nfs/dbraw/zinc/61/49/86/1434614986.db2.gz OOHOPEYCOHXUBQ-PGRDOPGGSA-N 2 0 380.536 3.412 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000269269203 1434615780 /nfs/dbraw/zinc/61/57/80/1434615780.db2.gz REXRGHWHJUUMRX-BWAGFHJFSA-N 2 0 384.568 3.324 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000269269205 1434615815 /nfs/dbraw/zinc/61/58/15/1434615815.db2.gz REXRGHWHJUUMRX-QIJUGHKUSA-N 2 0 384.568 3.324 20 0 GGADRP Cc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c(OCC[NH+](C)C)c1 ZINC000269274134 1434616761 /nfs/dbraw/zinc/61/67/61/1434616761.db2.gz VJKXPPCLNPFSFJ-UHFFFAOYSA-N 2 0 394.519 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCCCCC[NH3+])CC1 ZINC000269292994 1434618810 /nfs/dbraw/zinc/61/88/10/1434618810.db2.gz MGRIJNWMPJARDG-QGZVFWFLSA-N 2 0 378.536 3.054 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000269620814 1434664328 /nfs/dbraw/zinc/66/43/28/1434664328.db2.gz PWUNTRZRRYACGO-SFHVURJKSA-N 2 0 387.572 3.171 20 0 GGADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000270112325 1434704210 /nfs/dbraw/zinc/70/42/10/1434704210.db2.gz NFLYLLWRMGSRDY-QFIPXVFZSA-N 2 0 398.595 3.067 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270218327 1434714072 /nfs/dbraw/zinc/71/40/72/1434714072.db2.gz MILVXRMHOKWMJA-PTUXOGIPSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000270246437 1434716243 /nfs/dbraw/zinc/71/62/43/1434716243.db2.gz PWOVBONSOKNCRI-OIBXWCBGSA-N 2 0 398.595 3.413 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000270271229 1434718476 /nfs/dbraw/zinc/71/84/76/1434718476.db2.gz TZGWTPIFSLOPPV-JOCHJYFZSA-N 2 0 398.595 3.021 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000270932979 1434789124 /nfs/dbraw/zinc/78/91/24/1434789124.db2.gz LXSXATWPGILFIE-LJQANCHMSA-N 2 0 386.584 3.019 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000270932976 1434789259 /nfs/dbraw/zinc/78/92/59/1434789259.db2.gz LXSXATWPGILFIE-IBGZPJMESA-N 2 0 386.584 3.019 20 0 GGADRP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1OC(F)F ZINC000270940482 1434789493 /nfs/dbraw/zinc/78/94/93/1434789493.db2.gz RJBOWZDFFWNWAG-UHFFFAOYSA-N 2 0 397.510 3.287 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1OC ZINC000271007071 1434795053 /nfs/dbraw/zinc/79/50/53/1434795053.db2.gz RGUZUPDPBIFFEO-UHFFFAOYSA-N 2 0 377.529 3.134 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000271299015 1434814170 /nfs/dbraw/zinc/81/41/70/1434814170.db2.gz GHEBHKBXTNSGEZ-OAHLLOKOSA-N 2 0 377.554 3.432 20 0 GGADRP COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000271411530 1434822794 /nfs/dbraw/zinc/82/27/94/1434822794.db2.gz AEQJKVBEFQHBQA-KRWDZBQOSA-N 2 0 386.492 3.030 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271437707 1434824780 /nfs/dbraw/zinc/82/47/80/1434824780.db2.gz XCMOOGOJMWMIGU-MRXNPFEDSA-N 2 0 391.581 3.474 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000271483758 1434828633 /nfs/dbraw/zinc/82/86/33/1434828633.db2.gz KTCZCQHARSKARC-HXUWFJFHSA-N 2 0 399.535 3.236 20 0 GGADRP c1csc(N2CCC([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000271488902 1434829019 /nfs/dbraw/zinc/82/90/19/1434829019.db2.gz ORJVYYUBEOYDDG-UHFFFAOYSA-N 2 0 399.608 3.304 20 0 GGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000271537327 1434833017 /nfs/dbraw/zinc/83/30/17/1434833017.db2.gz SCRCHKFLAIRGNH-JQFCIGGWSA-N 2 0 384.467 3.325 20 0 GGADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000271590187 1434837381 /nfs/dbraw/zinc/83/73/81/1434837381.db2.gz SWNBILZWUQXDCS-IBGZPJMESA-N 2 0 380.536 3.485 20 0 GGADRP Cc1cc2ncc([C@H](C)[NH2+]CCc3ccc(OCC[NH+](C)C)cc3)c(C)n2n1 ZINC000271607785 1434838668 /nfs/dbraw/zinc/83/86/68/1434838668.db2.gz WOIAKMYNEATJOE-KRWDZBQOSA-N 2 0 381.524 3.180 20 0 GGADRP COC(=O)CCCN1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000271791751 1434850930 /nfs/dbraw/zinc/85/09/30/1434850930.db2.gz JBVZYDSQJUWDFQ-UHFFFAOYSA-N 2 0 375.557 3.034 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271859032 1434855387 /nfs/dbraw/zinc/85/53/87/1434855387.db2.gz NPELNZSQWCICCJ-INIZCTEOSA-N 2 0 375.538 3.025 20 0 GGADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271866136 1434855822 /nfs/dbraw/zinc/85/58/22/1434855822.db2.gz PCBPMZOCROYTOJ-MRXNPFEDSA-N 2 0 375.538 3.025 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000272191521 1434877061 /nfs/dbraw/zinc/87/70/61/1434877061.db2.gz VNZHSWHANJINJP-UHFFFAOYSA-N 2 0 375.557 3.149 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272277153 1434883598 /nfs/dbraw/zinc/88/35/98/1434883598.db2.gz FBFGRKNXFGFLGI-HJNYFJLDSA-N 2 0 386.584 3.270 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272277149 1434883632 /nfs/dbraw/zinc/88/36/32/1434883632.db2.gz FBFGRKNXFGFLGI-BVSLBCMMSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307454 1434885937 /nfs/dbraw/zinc/88/59/37/1434885937.db2.gz IBIIUPNVMYUCCE-WAOWUJCRSA-N 2 0 376.508 3.224 20 0 GGADRP COc1c(O)cccc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000272332603 1434887765 /nfs/dbraw/zinc/88/77/65/1434887765.db2.gz WVMCOPNOTJSPLF-JOCHJYFZSA-N 2 0 384.520 3.278 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272341708 1434888513 /nfs/dbraw/zinc/88/85/13/1434888513.db2.gz BWTFKUSJKVNJHX-FPOVZHCZSA-N 2 0 398.551 3.263 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272345894 1434889138 /nfs/dbraw/zinc/88/91/38/1434889138.db2.gz PTABIZQODKBOOA-QUCCMNQESA-N 2 0 381.520 3.384 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272534806 1434905023 /nfs/dbraw/zinc/90/50/23/1434905023.db2.gz PDWOYLSULQSAJV-PDGJWGCVSA-N 2 0 384.568 3.023 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272553215 1434907012 /nfs/dbraw/zinc/90/70/12/1434907012.db2.gz SWTQIEULIJWCBK-SFGWALBWSA-N 2 0 384.520 3.237 20 0 GGADRP Cc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272609119 1434914353 /nfs/dbraw/zinc/91/43/53/1434914353.db2.gz KCWPQTMSUIROEL-QFIPXVFZSA-N 2 0 384.545 3.339 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272659467 1434920593 /nfs/dbraw/zinc/92/05/93/1434920593.db2.gz MPKDFGIKIDMJAL-DENIHFKCSA-N 2 0 392.547 3.186 20 0 GGADRP C[C@H](NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000272694801 1434923529 /nfs/dbraw/zinc/92/35/29/1434923529.db2.gz DDBRVKLDSIFPQD-QRVBRYPASA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272708746 1434924977 /nfs/dbraw/zinc/92/49/77/1434924977.db2.gz JZZFGPSPDYORDP-KRWDZBQOSA-N 2 0 388.581 3.050 20 0 GGADRP CN(c1ccccc1C[NH+]1CCC(O)(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000272819041 1434933411 /nfs/dbraw/zinc/93/34/11/1434933411.db2.gz OJMLKANQCYEYNV-UHFFFAOYSA-N 2 0 385.474 3.106 20 0 GGADRP C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272837643 1434935094 /nfs/dbraw/zinc/93/50/94/1434935094.db2.gz QUKWBPMHLISRJB-VSYWRSJOSA-N 2 0 385.596 3.255 20 0 GGADRP C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875602 1434938089 /nfs/dbraw/zinc/93/80/89/1434938089.db2.gz WWZPBDASHHZFQZ-CTNGQTDRSA-N 2 0 381.568 3.437 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272889589 1434938820 /nfs/dbraw/zinc/93/88/20/1434938820.db2.gz YZWBOGPJGQKCOS-BXWFABGCSA-N 2 0 378.586 3.303 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272955063 1434943864 /nfs/dbraw/zinc/94/38/64/1434943864.db2.gz NAYNMSLWAPELIG-KRWDZBQOSA-N 2 0 378.586 3.252 20 0 GGADRP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272986307 1434946998 /nfs/dbraw/zinc/94/69/98/1434946998.db2.gz PONFUFSWKIAYQC-DXIQSLLYSA-N 2 0 384.568 3.331 20 0 GGADRP C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000273000291 1434948639 /nfs/dbraw/zinc/94/86/39/1434948639.db2.gz RDGMFJMIANUKDP-UZLBHIALSA-N 2 0 395.469 3.208 20 0 GGADRP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000273045693 1434954703 /nfs/dbraw/zinc/95/47/03/1434954703.db2.gz PXLHJTLZCMGBHT-CXNSYNGHSA-N 2 0 384.568 3.199 20 0 GGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273407908 1434986898 /nfs/dbraw/zinc/98/68/98/1434986898.db2.gz IDTKAEWLYQCSPD-IPJJNNNSSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273410909 1434987025 /nfs/dbraw/zinc/98/70/25/1434987025.db2.gz ISRSMJDSHAIJKZ-DXIQSLLYSA-N 2 0 386.584 3.411 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@]12CCCO2 ZINC000273568870 1434997418 /nfs/dbraw/zinc/99/74/18/1434997418.db2.gz GGCVLNAAFAALMD-ZRBLBEILSA-N 2 0 387.568 3.033 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274741650 1435088944 /nfs/dbraw/zinc/08/89/44/1435088944.db2.gz FIXLQNALLOWVGG-IEIRFRATSA-N 2 0 392.547 3.073 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274749789 1435089689 /nfs/dbraw/zinc/08/96/89/1435089689.db2.gz HFIDUINYCHRGCW-GRYUFTJMSA-N 3 0 393.575 3.253 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c2)CC1 ZINC000274798040 1435093417 /nfs/dbraw/zinc/09/34/17/1435093417.db2.gz JKIGBURUKGCXPQ-UHFFFAOYSA-N 2 0 399.583 3.311 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000274840649 1435097303 /nfs/dbraw/zinc/09/73/03/1435097303.db2.gz UBSAJBUPUQIMPO-GOSISDBHSA-N 2 0 387.572 3.023 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274903687 1435102532 /nfs/dbraw/zinc/10/25/32/1435102532.db2.gz LSBYODIMVDCEFO-AVRDEDQJSA-N 2 0 386.561 3.231 20 0 GGADRP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000275399697 1435136599 /nfs/dbraw/zinc/13/65/99/1435136599.db2.gz CJSMYNBCYKSRNQ-GJTYKATRSA-N 2 0 380.536 3.140 20 0 GGADRP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000275532386 1435146253 /nfs/dbraw/zinc/14/62/53/1435146253.db2.gz LYUIFJZCXPHMQF-BTPPTMBQSA-N 2 0 394.563 3.481 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000275646569 1435155875 /nfs/dbraw/zinc/15/58/75/1435155875.db2.gz MJVDLZZJQUKJNJ-UHFFFAOYSA-N 2 0 390.597 3.274 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000275665500 1435158014 /nfs/dbraw/zinc/15/80/14/1435158014.db2.gz BUUCGQFGDDSTSX-SJBKTWHCSA-N 2 0 385.556 3.197 20 0 GGADRP COc1cccc([C@@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)[NH+](C)C)c1 ZINC000275736141 1435163984 /nfs/dbraw/zinc/16/39/84/1435163984.db2.gz XXPKNTFCMCFMBN-OAQYLSRUSA-N 2 0 384.524 3.224 20 0 GGADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276110618 1435191548 /nfs/dbraw/zinc/19/15/48/1435191548.db2.gz CZGXDEOEVPAUAL-WIYYLYMNSA-N 2 0 386.584 3.243 20 0 GGADRP C[NH+](C)CCc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000276291564 1435202646 /nfs/dbraw/zinc/20/26/46/1435202646.db2.gz OPUNJMMAQHDVNX-UHFFFAOYSA-N 2 0 388.581 3.126 20 0 GGADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276355956 1435206691 /nfs/dbraw/zinc/20/66/91/1435206691.db2.gz IAOYHASGZODKNU-OAQYLSRUSA-N 2 0 389.588 3.057 20 0 GGADRP CCS(=O)(=O)CCCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276449719 1435211998 /nfs/dbraw/zinc/21/19/98/1435211998.db2.gz KACYRCRXFHZKSC-UHFFFAOYSA-N 2 0 380.598 3.435 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276600606 1435219974 /nfs/dbraw/zinc/21/99/74/1435219974.db2.gz KGFKUVSHBROSQZ-QGZVFWFLSA-N 2 0 383.561 3.078 20 0 GGADRP COCCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000276658641 1435223277 /nfs/dbraw/zinc/22/32/77/1435223277.db2.gz VPQGOWGAYKPNEF-DENIHFKCSA-N 2 0 382.552 3.164 20 0 GGADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000276728382 1435228338 /nfs/dbraw/zinc/22/83/38/1435228338.db2.gz YHQRJLSKILIFED-CYFREDJKSA-N 2 0 391.559 3.500 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276748717 1435229729 /nfs/dbraw/zinc/22/97/29/1435229729.db2.gz HIKGUZKWDLUXIL-MRXNPFEDSA-N 2 0 377.529 3.133 20 0 GGADRP C[C@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276981626 1435249530 /nfs/dbraw/zinc/24/95/30/1435249530.db2.gz WBQXWBMHBQYGFU-BRWVUGGUSA-N 2 0 384.528 3.207 20 0 GGADRP COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)[C@H](C)[C@@H](C)[NH3+])CC2 ZINC000277111756 1435263034 /nfs/dbraw/zinc/26/30/34/1435263034.db2.gz VOEIVRAJZKPRTA-HZPDHXFCSA-N 2 0 397.519 3.184 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000277145312 1435268508 /nfs/dbraw/zinc/26/85/08/1435268508.db2.gz PSBIKGHVWXOXFC-FQEVSTJZSA-N 2 0 390.597 3.226 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000277364733 1435298875 /nfs/dbraw/zinc/29/88/75/1435298875.db2.gz UZOKOXUAUXVUAV-ICSRJNTNSA-N 2 0 397.485 3.384 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000277364727 1435298901 /nfs/dbraw/zinc/29/89/01/1435298901.db2.gz UZOKOXUAUXVUAV-AZUAARDMSA-N 2 0 397.485 3.384 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)c(C)c2)CC1 ZINC000277407335 1435302469 /nfs/dbraw/zinc/30/24/69/1435302469.db2.gz FLWTUIZMQONDLH-IBGZPJMESA-N 2 0 387.572 3.085 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000277679749 1435321309 /nfs/dbraw/zinc/32/13/09/1435321309.db2.gz IPUOOIVJZXTQGJ-UHFFFAOYSA-N 2 0 384.568 3.072 20 0 GGADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000278059254 1435354999 /nfs/dbraw/zinc/35/49/99/1435354999.db2.gz YQFAAZHSIKSQOS-IBGZPJMESA-N 2 0 399.535 3.260 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2F)CC1 ZINC000278155122 1435364992 /nfs/dbraw/zinc/36/49/92/1435364992.db2.gz ANNDEMSOSXYHPT-QFIPXVFZSA-N 2 0 384.499 3.169 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278251444 1435373633 /nfs/dbraw/zinc/37/36/33/1435373633.db2.gz VYXGONCBAHTBFL-OAQYLSRUSA-N 2 0 384.568 3.024 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000278488757 1435394666 /nfs/dbraw/zinc/39/46/66/1435394666.db2.gz LUGNQTTZOJDLTG-HXUWFJFHSA-N 2 0 399.510 3.212 20 0 GGADRP COCCSCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000278530241 1435397553 /nfs/dbraw/zinc/39/75/53/1435397553.db2.gz QIGRYGMAQUKUGS-OAQYLSRUSA-N 2 0 380.598 3.134 20 0 GGADRP COCCSCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000278530237 1435397671 /nfs/dbraw/zinc/39/76/71/1435397671.db2.gz QIGRYGMAQUKUGS-NRFANRHFSA-N 2 0 380.598 3.134 20 0 GGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000278643399 1435409271 /nfs/dbraw/zinc/40/92/71/1435409271.db2.gz JBZZMJAIWHYGRH-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP CCCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000279104958 1435460704 /nfs/dbraw/zinc/46/07/04/1435460704.db2.gz XRIXHNPNOULYBH-PMACEKPBSA-N 2 0 395.551 3.003 20 0 GGADRP CCCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000279104961 1435460943 /nfs/dbraw/zinc/46/09/43/1435460943.db2.gz XRIXHNPNOULYBH-WOJBJXKFSA-N 2 0 395.551 3.003 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279745959 1435537798 /nfs/dbraw/zinc/53/77/98/1435537798.db2.gz PQWJYXKAIWWQIE-VWLOTQADSA-N 2 0 395.591 3.234 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279794467 1435544207 /nfs/dbraw/zinc/54/42/07/1435544207.db2.gz VRONEFUVYRGAKJ-RUZDIDTESA-N 2 0 395.591 3.234 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279862186 1435554007 /nfs/dbraw/zinc/55/40/07/1435554007.db2.gz MPNYQNKEGAYMQG-CCKFTAQKSA-N 2 0 379.907 3.215 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279862202 1435554125 /nfs/dbraw/zinc/55/41/25/1435554125.db2.gz MPNYQNKEGAYMQG-ZMYBRWDISA-N 2 0 379.907 3.215 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279922534 1435563489 /nfs/dbraw/zinc/56/34/89/1435563489.db2.gz FWVBJSAZKVZFJI-OYRHEFFESA-N 2 0 378.520 3.344 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279973714 1435571075 /nfs/dbraw/zinc/57/10/75/1435571075.db2.gz PWENRUPQYWSJJP-UHFFFAOYSA-N 2 0 385.899 3.151 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000279996934 1435574031 /nfs/dbraw/zinc/57/40/31/1435574031.db2.gz RMXCZBILWGOWOM-UHFFFAOYSA-N 2 0 385.899 3.151 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000279997046 1435574329 /nfs/dbraw/zinc/57/43/29/1435574329.db2.gz RNZKRYOTYAMBGE-WSTZPKSXSA-N 2 0 377.573 3.057 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000280024228 1435578276 /nfs/dbraw/zinc/57/82/76/1435578276.db2.gz HOYZUWAVNVYJKU-CTNGQTDRSA-N 2 0 382.504 3.048 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000280024230 1435578350 /nfs/dbraw/zinc/57/83/50/1435578350.db2.gz HOYZUWAVNVYJKU-FPOVZHCZSA-N 2 0 382.504 3.048 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000280136287 1435597900 /nfs/dbraw/zinc/59/79/00/1435597900.db2.gz PIERPWOQSRZVET-HNNXBMFYSA-N 2 0 396.578 3.333 20 0 GGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000280157062 1435600907 /nfs/dbraw/zinc/60/09/07/1435600907.db2.gz FMTKPIBLAATXLG-QFIPXVFZSA-N 2 0 376.504 3.037 20 0 GGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000280157059 1435601021 /nfs/dbraw/zinc/60/10/21/1435601021.db2.gz FMTKPIBLAATXLG-JOCHJYFZSA-N 2 0 376.504 3.037 20 0 GGADRP CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000280272082 1435622921 /nfs/dbraw/zinc/62/29/21/1435622921.db2.gz CWQHCMXOEAGTLZ-OAQYLSRUSA-N 2 0 391.581 3.065 20 0 GGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000280402469 1435653995 /nfs/dbraw/zinc/65/39/95/1435653995.db2.gz AMSGXXMBVLVIPG-UHFFFAOYSA-N 2 0 380.492 3.111 20 0 GGADRP CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000280510822 1435671591 /nfs/dbraw/zinc/67/15/91/1435671591.db2.gz NNWGUUQBMZMQCT-AUSIDOKSSA-N 2 0 387.568 3.047 20 0 GGADRP Cc1ccc([C@H]2CCN(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)C2)c(C)c1 ZINC000280570920 1435681338 /nfs/dbraw/zinc/68/13/38/1435681338.db2.gz CJPQWRZYXTWDOT-FQEVSTJZSA-N 2 0 398.595 3.361 20 0 GGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000281043269 1435762143 /nfs/dbraw/zinc/76/21/43/1435762143.db2.gz ZPCWSYUCQLUSOI-ROUUACIJSA-N 2 0 398.551 3.132 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000281043267 1435762242 /nfs/dbraw/zinc/76/22/42/1435762242.db2.gz ZPCWSYUCQLUSOI-MSOLQXFVSA-N 2 0 398.551 3.132 20 0 GGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000281127258 1435780885 /nfs/dbraw/zinc/78/08/85/1435780885.db2.gz YASIFWKKWFOEFR-UHFFFAOYSA-N 2 0 394.563 3.451 20 0 GGADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281163604 1435787683 /nfs/dbraw/zinc/78/76/83/1435787683.db2.gz KTKYRDHKBYKRNX-GOSISDBHSA-N 2 0 378.586 3.087 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)C1 ZINC000281172527 1435789298 /nfs/dbraw/zinc/78/92/98/1435789298.db2.gz HYZKTSQETQFGID-DENIHFKCSA-N 2 0 396.510 3.159 20 0 GGADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000281381687 1435806506 /nfs/dbraw/zinc/80/65/06/1435806506.db2.gz GQWBKWHEVYXQFT-UHFFFAOYSA-N 2 0 380.492 3.111 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000282051036 1435832643 /nfs/dbraw/zinc/83/26/43/1435832643.db2.gz LZUXVYAPTCISRL-INIZCTEOSA-N 2 0 379.499 3.498 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000282423930 1435846694 /nfs/dbraw/zinc/84/66/94/1435846694.db2.gz SUGNYRFSWLRWJS-LJQANCHMSA-N 2 0 375.516 3.382 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000282685104 1435856344 /nfs/dbraw/zinc/85/63/44/1435856344.db2.gz AIOGOUSWLBKMOP-VSKRKVRLSA-N 2 0 387.568 3.030 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000282750049 1435858975 /nfs/dbraw/zinc/85/89/75/1435858975.db2.gz UYGFAICDGNMCIS-UHFFFAOYSA-N 2 0 379.508 3.114 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282825293 1435861769 /nfs/dbraw/zinc/86/17/69/1435861769.db2.gz JGVMXJCKXNWRSU-RTWAWAEBSA-N 2 0 386.584 3.270 20 0 GGADRP C[NH+](C)CCn1ncc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1-c1ccccc1 ZINC000283012572 1435870348 /nfs/dbraw/zinc/87/03/48/1435870348.db2.gz AKTJJVIYLKRORW-UHFFFAOYSA-N 2 0 391.519 3.426 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320084 1435884250 /nfs/dbraw/zinc/88/42/50/1435884250.db2.gz OQRBHNNLEYGGCX-YADHBBJMSA-N 2 0 377.548 3.394 20 0 GGADRP Cc1cc(-c2noc([C@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)n2)ccc1F ZINC000283374343 1435886736 /nfs/dbraw/zinc/88/67/36/1435886736.db2.gz SOBAPPIHDSIKRD-KRWDZBQOSA-N 2 0 389.519 3.251 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c2ccccc21 ZINC000283482686 1435891892 /nfs/dbraw/zinc/89/18/92/1435891892.db2.gz XGFDGYXUUSOMLV-QIJUGHKUSA-N 2 0 387.568 3.031 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)CC1 ZINC000283822173 1435930582 /nfs/dbraw/zinc/93/05/82/1435930582.db2.gz CXXHZQNWEZFMRE-UHFFFAOYSA-N 2 0 377.492 3.235 20 0 GGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000283946983 1435958756 /nfs/dbraw/zinc/95/87/56/1435958756.db2.gz FPPRQHPEFXGBEP-QGZVFWFLSA-N 2 0 391.556 3.015 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC2(CCOCC2)CC1 ZINC000283969441 1435963847 /nfs/dbraw/zinc/96/38/47/1435963847.db2.gz CICKDCFTNDPCFA-FQEVSTJZSA-N 2 0 399.579 3.048 20 0 GGADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(N3CCOCC3)nc2)CC1 ZINC000284045020 1435979841 /nfs/dbraw/zinc/97/98/41/1435979841.db2.gz JZPDGKYJNLXTOJ-UHFFFAOYSA-N 2 0 394.563 3.451 20 0 GGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000284104647 1435990590 /nfs/dbraw/zinc/99/05/90/1435990590.db2.gz MSIQCXNVTXSKLY-YFNKSVMNSA-N 2 0 383.580 3.226 20 0 GGADRP c1csc(CC[NH+]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000284139330 1435997367 /nfs/dbraw/zinc/99/73/67/1435997367.db2.gz OSUWOSBBWMRSAG-QFIPXVFZSA-N 2 0 399.604 3.199 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(c4nccs4)CC3)cc2)CC1 ZINC000284410805 1436019596 /nfs/dbraw/zinc/01/95/96/1436019596.db2.gz QLNJFYOBZAPQLM-UHFFFAOYSA-N 2 0 386.565 3.375 20 0 GGADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284480719 1436024996 /nfs/dbraw/zinc/02/49/96/1436024996.db2.gz WINYNSBZWKJLHT-LJQANCHMSA-N 2 0 387.568 3.430 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2)CC1 ZINC001164388265 718815928 /nfs/dbraw/zinc/81/59/28/718815928.db2.gz OCXJZXWXVZLEJA-SFHVURJKSA-N 3 0 398.473 3.065 20 0 GGADRP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164413685 718880976 /nfs/dbraw/zinc/88/09/76/718880976.db2.gz KMHIUZGWYSCMTD-INIZCTEOSA-N 2 0 398.473 3.210 20 0 GGADRP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626710 719092060 /nfs/dbraw/zinc/09/20/60/719092060.db2.gz IOKXGACRBQYETL-IFMALSPDSA-N 2 0 391.563 3.110 20 0 GGADRP [NH3+]C1([C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164627448 719116998 /nfs/dbraw/zinc/11/69/98/719116998.db2.gz KMDOKBICULVFII-PMACEKPBSA-N 2 0 380.511 3.153 20 0 GGADRP C[NH+](C)Cc1ccnc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164647270 719297171 /nfs/dbraw/zinc/29/71/71/719297171.db2.gz DGVDWSBEXOWXHZ-IFMALSPDSA-N 2 0 384.499 3.332 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679763 719648809 /nfs/dbraw/zinc/64/88/09/719648809.db2.gz MKWSAQBVXOIXMO-OAQYLSRUSA-N 2 0 396.583 3.300 20 0 GGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164710621 720098831 /nfs/dbraw/zinc/09/88/31/720098831.db2.gz KEBJXKBSSDKFBV-HXUWFJFHSA-N 2 0 391.519 3.465 20 0 GGADRP CCOc1cc[nH+]c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164715567 720116065 /nfs/dbraw/zinc/11/60/65/720116065.db2.gz IAQILOUSFKOKRS-FQEVSTJZSA-N 2 0 396.535 3.383 20 0 GGADRP Cc1cc2ccccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164823295 720328938 /nfs/dbraw/zinc/32/89/38/720328938.db2.gz AIUWZEYXKLRZCT-VXKWHMMOSA-N 2 0 392.547 3.455 20 0 GGADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164834287 720556345 /nfs/dbraw/zinc/55/63/45/720556345.db2.gz DGZCJYOUKGRDOO-QKNQBKEWSA-N 2 0 383.540 3.443 20 0 GGADRP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc2[nH]ccc21 ZINC001164841280 720588707 /nfs/dbraw/zinc/58/87/07/720588707.db2.gz RUKQFHGEMVMUAD-DBXWQHBBSA-N 2 0 378.524 3.446 20 0 GGADRP CN(C)c1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164842761 720665780 /nfs/dbraw/zinc/66/57/80/720665780.db2.gz UBKWJGZKKPTAFG-FQEVSTJZSA-N 2 0 380.536 3.408 20 0 GGADRP C[NH+](C)Cc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840954 720720947 /nfs/dbraw/zinc/72/09/47/720720947.db2.gz SXSFIBYPYRJMJY-JOCHJYFZSA-N 2 0 394.563 3.403 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C[NH+](C)C3CC3)cn1)[C@H]2C ZINC001164863792 721009017 /nfs/dbraw/zinc/00/90/17/721009017.db2.gz VCROFBVEMDPGHR-KRWDZBQOSA-N 2 0 382.556 3.294 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c2)CC1 ZINC001164883211 721359458 /nfs/dbraw/zinc/35/94/58/721359458.db2.gz OEEMSHQGUKXAPZ-RTBURBONSA-N 2 0 398.532 3.000 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c(C)c[nH+]3)C2)C1 ZINC001164783080 721368409 /nfs/dbraw/zinc/36/84/09/721368409.db2.gz PECYRJKEFNAFCO-QFIPXVFZSA-N 2 0 384.524 3.422 20 0 GGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164784172 721457908 /nfs/dbraw/zinc/45/79/08/721457908.db2.gz HBHQVXQKZBFWLH-OAQYLSRUSA-N 2 0 387.568 3.432 20 0 GGADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164906769 721544474 /nfs/dbraw/zinc/54/44/74/721544474.db2.gz LHOVFLXVXYIMRQ-CTNGQTDRSA-N 2 0 382.483 3.163 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164904832 721552409 /nfs/dbraw/zinc/55/24/09/721552409.db2.gz FZJKEXCNBJTOMI-RBBKRZOGSA-N 2 0 396.510 3.158 20 0 GGADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908718 721557870 /nfs/dbraw/zinc/55/78/70/721557870.db2.gz RTIWCLSPQQSVHJ-RBBKRZOGSA-N 2 0 396.510 3.157 20 0 GGADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906427 721565040 /nfs/dbraw/zinc/56/50/40/721565040.db2.gz IZZBNKQOBLGPQE-UNMCSNQZSA-N 2 0 396.510 3.158 20 0 GGADRP C[N@H+](Cc1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1)C1CC1 ZINC001164796092 721597317 /nfs/dbraw/zinc/59/73/17/721597317.db2.gz BRACNMDKWVXZSY-UHFFFAOYSA-N 2 0 391.494 3.356 20 0 GGADRP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164925209 721867641 /nfs/dbraw/zinc/86/76/41/721867641.db2.gz MXGXBVOWZMLJID-XZOQPEGZSA-N 2 0 389.547 3.299 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC[NH+]3CCN(C)C)nc1 ZINC001164930929 721887343 /nfs/dbraw/zinc/88/73/43/721887343.db2.gz DKFFTFBTBAZMQZ-YPAWHYETSA-N 2 0 385.600 3.233 20 0 GGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)C2)cc1 ZINC001164939674 721932737 /nfs/dbraw/zinc/93/27/37/721932737.db2.gz OAQPIIKJQQEYOC-UHFFFAOYSA-N 2 0 394.563 3.323 20 0 GGADRP Cc1cc(N2CCCC2)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164953777 722011994 /nfs/dbraw/zinc/01/19/94/722011994.db2.gz GPTSAKYNJWAGNM-UHFFFAOYSA-N 2 0 392.551 3.273 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165054891 722019655 /nfs/dbraw/zinc/01/96/55/722019655.db2.gz IJYYYQDAWSVBSC-QFIPXVFZSA-N 2 0 379.552 3.388 20 0 GGADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966550 722076067 /nfs/dbraw/zinc/07/60/67/722076067.db2.gz AORZKHDOJPPPOV-BGYRXZFFSA-N 2 0 378.520 3.134 20 0 GGADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164993765 722205231 /nfs/dbraw/zinc/20/52/31/722205231.db2.gz ASQOSEOMFTZEAI-QHCPKHFHSA-N 2 0 395.526 3.328 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821615666 945745984 /nfs/dbraw/zinc/74/59/84/945745984.db2.gz IFHLVCIUYILUEM-UHFFFAOYSA-N 2 0 388.475 3.382 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824577536 946822824 /nfs/dbraw/zinc/82/28/24/946822824.db2.gz MGDFUBLDZLUOTL-OAHLLOKOSA-N 2 0 382.537 3.491 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824579145 946829574 /nfs/dbraw/zinc/82/95/74/946829574.db2.gz XVRRPMSDPJXORV-IEBWSBKVSA-N 2 0 376.508 3.082 20 0 GGADRP C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001575508989 949106511 /nfs/dbraw/zinc/10/65/11/949106511.db2.gz AVHTWQKXHRVCSD-YHYVQYDKSA-N 2 0 388.519 3.382 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC001576163961 949546115 /nfs/dbraw/zinc/54/61/15/949546115.db2.gz DPBRWZRWQYPMKL-SFHVURJKSA-N 2 0 398.555 3.222 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000024741485 207294848 /nfs/dbraw/zinc/29/48/48/207294848.db2.gz LWWALWDHDZFGCN-HXUWFJFHSA-N 2 0 386.565 3.315 20 0 GGADRP C[NH+]1CCC(CC[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394614970 565572348 /nfs/dbraw/zinc/57/23/48/565572348.db2.gz IOUFOKYEVRRVQR-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119425944 564270269 /nfs/dbraw/zinc/27/02/69/564270269.db2.gz FVZNLLPLOJHXDD-UONOGXRCSA-N 2 0 380.330 3.240 20 0 GGADRP Cc1cc(Br)cc(C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000119891828 564293473 /nfs/dbraw/zinc/29/34/73/564293473.db2.gz SNDONSOKBDTGTK-UHFFFAOYSA-N 2 0 385.350 3.023 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)CN1CC[NH+](C)CC1 ZINC000120837018 564339863 /nfs/dbraw/zinc/33/98/63/564339863.db2.gz HPDOXYPOCKTEFM-FZKQIMNGSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000120891060 564341839 /nfs/dbraw/zinc/34/18/39/564341839.db2.gz HQQBUMLSNLJQFG-QAPCUYQASA-N 2 0 396.373 3.136 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000120956813 564344999 /nfs/dbraw/zinc/34/49/99/564344999.db2.gz ZNCNUSWGVNZZJW-RHSMWYFYSA-N 2 0 398.414 3.459 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000121149564 564356310 /nfs/dbraw/zinc/35/63/10/564356310.db2.gz WSGIPBJGPFHCNW-KUHUBIRLSA-N 2 0 398.364 3.439 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000123602252 564454311 /nfs/dbraw/zinc/45/43/11/564454311.db2.gz ZDSQRTMCGNLLOS-SFHVURJKSA-N 2 0 399.373 3.243 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000123867952 564464329 /nfs/dbraw/zinc/46/43/29/564464329.db2.gz ITAOZAGPQXCCQP-UHFFFAOYSA-N 2 0 390.325 3.030 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000047977531 564529807 /nfs/dbraw/zinc/52/98/07/564529807.db2.gz ITUCSEKQZIJTJC-SFHVURJKSA-N 2 0 399.373 3.243 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000047977533 564529963 /nfs/dbraw/zinc/52/99/63/564529963.db2.gz ITUCSEKQZIJTJC-GOSISDBHSA-N 2 0 399.373 3.243 20 0 GGADRP CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126366053 564546394 /nfs/dbraw/zinc/54/63/94/564546394.db2.gz NOYSJPOHWQYOAK-MRXNPFEDSA-N 2 0 381.611 3.247 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000127601512 564589863 /nfs/dbraw/zinc/58/98/63/564589863.db2.gz HQADAVUHZPGQML-CJNGLKHVSA-N 2 0 384.387 3.212 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Br ZINC000128236295 564611467 /nfs/dbraw/zinc/61/14/67/564611467.db2.gz GOXNRJVYUVXSAR-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522450 564649861 /nfs/dbraw/zinc/64/98/61/564649861.db2.gz WXUBPSGZRYEHDM-AWEZNQCLSA-N 2 0 382.346 3.440 20 0 GGADRP C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000056522652 564649873 /nfs/dbraw/zinc/64/98/73/564649873.db2.gz RJCDMDFXBYOTSZ-UHFFFAOYSA-N 2 0 383.330 3.384 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056523011 564649921 /nfs/dbraw/zinc/64/99/21/564649921.db2.gz BKESWDDFUPZQHS-INIZCTEOSA-N 2 0 375.340 3.397 20 0 GGADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000130161554 564671843 /nfs/dbraw/zinc/67/18/43/564671843.db2.gz GJVGRTTZXVVRMR-UHFFFAOYSA-N 2 0 394.357 3.176 20 0 GGADRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000130458294 564682034 /nfs/dbraw/zinc/68/20/34/564682034.db2.gz SPCVPNDDCYGLMY-UHFFFAOYSA-N 2 0 379.302 3.223 20 0 GGADRP Brc1csc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000061015796 564704131 /nfs/dbraw/zinc/70/41/31/564704131.db2.gz SFIDHIRCVXOCSY-UHFFFAOYSA-N 2 0 394.382 3.418 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000132372796 564741957 /nfs/dbraw/zinc/74/19/57/564741957.db2.gz WMECEHVYZCNHNI-QAPCUYQASA-N 2 0 398.389 3.380 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Br ZINC000132970817 564759203 /nfs/dbraw/zinc/75/92/03/564759203.db2.gz DARCDEOLLCMKGN-UHFFFAOYSA-N 2 0 391.741 3.060 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134295477 564799382 /nfs/dbraw/zinc/79/93/82/564799382.db2.gz BHIQWXCWAIIIPJ-QGZVFWFLSA-N 2 0 386.765 3.317 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134317308 564800071 /nfs/dbraw/zinc/80/00/71/564800071.db2.gz XCYULDIKTKNHBX-SUMWQHHRSA-N 2 0 384.337 3.191 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134310671 564800232 /nfs/dbraw/zinc/80/02/32/564800232.db2.gz UPDXTKMBJNJFFD-QGZVFWFLSA-N 2 0 384.337 3.191 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134379065 564801078 /nfs/dbraw/zinc/80/10/78/564801078.db2.gz UQHAEEYWGAPXJS-KDOFPFPSSA-N 2 0 398.364 3.439 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000134382828 564801649 /nfs/dbraw/zinc/80/16/49/564801649.db2.gz UKDJXEDZIJYWON-YVEFUNNKSA-N 2 0 386.765 3.315 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000134392471 564802296 /nfs/dbraw/zinc/80/22/96/564802296.db2.gz HQGANOXLTQRRKS-CXAGYDPISA-N 2 0 385.321 3.402 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000134388729 564802387 /nfs/dbraw/zinc/80/23/87/564802387.db2.gz NQYTXODCFUWKOU-SJCJKPOMSA-N 2 0 386.765 3.315 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000134388685 564802692 /nfs/dbraw/zinc/80/26/92/564802692.db2.gz NQYTXODCFUWKOU-YVEFUNNKSA-N 2 0 386.765 3.315 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134429482 564802820 /nfs/dbraw/zinc/80/28/20/564802820.db2.gz SONKIIASFDGACF-KRWDZBQOSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000077835959 564862818 /nfs/dbraw/zinc/86/28/18/564862818.db2.gz LPYJMILSBCEPCS-ZDUSSCGKSA-N 2 0 375.344 3.189 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000093133307 564884143 /nfs/dbraw/zinc/88/41/43/564884143.db2.gz RSQYZQCFIDXMBV-APWZRJJASA-N 2 0 380.374 3.264 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Br ZINC000150946920 564898017 /nfs/dbraw/zinc/89/80/17/564898017.db2.gz DMIAUQDHNZJQCK-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000150989721 564900593 /nfs/dbraw/zinc/90/05/93/564900593.db2.gz FQWBISKQCGGWIR-INIZCTEOSA-N 2 0 395.345 3.286 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000151840746 564939037 /nfs/dbraw/zinc/93/90/37/564939037.db2.gz SELCTBMIOLOPJH-ZIAGYGMSSA-N 2 0 375.340 3.443 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207219 564951094 /nfs/dbraw/zinc/95/10/94/564951094.db2.gz LOQBXOBMEMJLMA-KGLIPLIRSA-N 2 0 379.492 3.431 20 0 GGADRP CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152378144 564957082 /nfs/dbraw/zinc/95/70/82/564957082.db2.gz KGUVHXURVHMZTF-LBPRGKRZSA-N 2 0 375.847 3.154 20 0 GGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000106124483 564977880 /nfs/dbraw/zinc/97/78/80/564977880.db2.gz USKWCOAYBSQUFN-ZDUSSCGKSA-N 2 0 385.339 3.166 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154216084 565030327 /nfs/dbraw/zinc/03/03/27/565030327.db2.gz DTCBQTYDDOARPF-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154237741 565031183 /nfs/dbraw/zinc/03/11/83/565031183.db2.gz KRSPBDJNFKOXGD-GOSISDBHSA-N 2 0 384.337 3.193 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155255474 565065137 /nfs/dbraw/zinc/06/51/37/565065137.db2.gz MGOPTMUJPIBWHX-QAPCUYQASA-N 2 0 381.358 3.427 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708440 565070721 /nfs/dbraw/zinc/07/07/21/565070721.db2.gz ZRDXYYDBVKUFON-CRAIPNDOSA-N 2 0 396.373 3.278 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708336 565070746 /nfs/dbraw/zinc/07/07/46/565070746.db2.gz ZRDXYYDBVKUFON-MAUKXSAKSA-N 2 0 396.373 3.278 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183896081 565101757 /nfs/dbraw/zinc/10/17/57/565101757.db2.gz QMTFBYHTZWZEDK-OAHLLOKOSA-N 2 0 386.327 3.021 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1F ZINC000370635242 565153065 /nfs/dbraw/zinc/15/30/65/565153065.db2.gz OJWYJOQIXWPYAI-HIFRSBDPSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1F ZINC000370684704 565155612 /nfs/dbraw/zinc/15/56/12/565155612.db2.gz RKROGSCQRTWKSZ-ZFWWWQNUSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@@H]1CN(Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305616 565185346 /nfs/dbraw/zinc/18/53/46/565185346.db2.gz ZMISYYZIIWHZPP-KDOFPFPSSA-N 2 0 384.337 3.046 20 0 GGADRP CC[NH+](CCOCC[N@@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000269967828 565204733 /nfs/dbraw/zinc/20/47/33/565204733.db2.gz VBVLSIVOOBVXNC-UHFFFAOYSA-N 2 0 382.599 3.045 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000270266925 565213867 /nfs/dbraw/zinc/21/38/67/565213867.db2.gz QKYSUCLSAUEJBV-UHFFFAOYSA-N 2 0 381.236 3.014 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(Br)c3F)CC2)CC1 ZINC000295155991 565247595 /nfs/dbraw/zinc/24/75/95/565247595.db2.gz KAQFNYDODYLEDK-UHFFFAOYSA-N 2 0 384.337 3.236 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000186594989 565271124 /nfs/dbraw/zinc/27/11/24/565271124.db2.gz HXHJWPLZHNHFML-CABCVRRESA-N 2 0 384.362 3.134 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000272145393 565278649 /nfs/dbraw/zinc/27/86/49/565278649.db2.gz CBVIAEBLVNPGBK-UHFFFAOYSA-N 2 0 392.341 3.322 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000186999395 565301719 /nfs/dbraw/zinc/30/17/19/565301719.db2.gz POYIXKQYPJLKAY-CQSZACIVSA-N 2 0 387.341 3.052 20 0 GGADRP NC(=O)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000162099427 565304672 /nfs/dbraw/zinc/30/46/72/565304672.db2.gz AHSIDKCVQNBMHV-QGZVFWFLSA-N 2 0 382.346 3.221 20 0 GGADRP COc1c(Br)cccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000187168792 565314436 /nfs/dbraw/zinc/31/44/36/565314436.db2.gz ORAFDTXQOHUQLJ-GASCZTMLSA-N 2 0 385.346 3.437 20 0 GGADRP COc1c(Br)cccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187174998 565314500 /nfs/dbraw/zinc/31/45/00/565314500.db2.gz OERCMLRLELFWNU-UHFFFAOYSA-N 2 0 396.373 3.106 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000273442467 565321096 /nfs/dbraw/zinc/32/10/96/565321096.db2.gz NAHZSPBROKDHST-RDJZCZTQSA-N 2 0 377.330 3.164 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000273442469 565321348 /nfs/dbraw/zinc/32/13/48/565321348.db2.gz NAHZSPBROKDHST-WBVHZDCISA-N 2 0 377.330 3.164 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(Br)c3)CC[C@@H]21 ZINC000162800308 565327859 /nfs/dbraw/zinc/32/78/59/565327859.db2.gz MESOBNYSSFOSNI-YOEHRIQHSA-N 2 0 380.330 3.194 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162920353 565331682 /nfs/dbraw/zinc/33/16/82/565331682.db2.gz IPCZSDGLRKQNCZ-HNNXBMFYSA-N 2 0 377.330 3.420 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000273917354 565346015 /nfs/dbraw/zinc/34/60/15/565346015.db2.gz YXYAJBUZPHUWOI-AWEZNQCLSA-N 2 0 387.341 3.052 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000165179442 565367952 /nfs/dbraw/zinc/36/79/52/565367952.db2.gz OLVOMHPSAUZSFU-HNNXBMFYSA-N 2 0 395.345 3.154 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315230 565369247 /nfs/dbraw/zinc/36/92/47/565369247.db2.gz QKOAQPCUPAATDB-WMZOPIPTSA-N 2 0 391.357 3.188 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000166041436 565372967 /nfs/dbraw/zinc/37/29/67/565372967.db2.gz GSBIURHWXRYEBF-CJNGLKHVSA-N 2 0 390.309 3.299 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000166041202 565373571 /nfs/dbraw/zinc/37/35/71/565373571.db2.gz GSBIURHWXRYEBF-BBRMVZONSA-N 2 0 390.309 3.299 20 0 GGADRP Brc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333869 565374140 /nfs/dbraw/zinc/37/41/40/565374140.db2.gz NZPTXHHXXSSNBG-KVSKMBFKSA-N 2 0 378.358 3.492 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121620 565381628 /nfs/dbraw/zinc/38/16/28/565381628.db2.gz QYTZBCROQTUWNM-QGZVFWFLSA-N 2 0 382.390 3.387 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(C4CC4)CC3)nc12 ZINC000297716790 565383528 /nfs/dbraw/zinc/38/35/28/565383528.db2.gz RNIOWUGMRQMQSK-UHFFFAOYSA-N 3 0 377.330 3.164 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000188185447 565386027 /nfs/dbraw/zinc/38/60/27/565386027.db2.gz WSYSMIDUSPVQFF-MRXNPFEDSA-N 2 0 382.390 3.243 20 0 GGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000188185422 565386295 /nfs/dbraw/zinc/38/62/95/565386295.db2.gz WSYSMIDUSPVQFF-INIZCTEOSA-N 2 0 382.390 3.243 20 0 GGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188210533 565387803 /nfs/dbraw/zinc/38/78/03/565387803.db2.gz CSTARUIJFAJDCQ-DOTOQJQBSA-N 2 0 381.358 3.471 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000171657533 565441852 /nfs/dbraw/zinc/44/18/52/565441852.db2.gz HTIAUTZWDCJVPM-UHFFFAOYSA-N 2 0 379.957 3.445 20 0 GGADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070895 565474804 /nfs/dbraw/zinc/47/48/04/565474804.db2.gz DRFCFHNVXINCCQ-CQSZACIVSA-N 2 0 386.309 3.333 20 0 GGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000173357012 565551448 /nfs/dbraw/zinc/55/14/48/565551448.db2.gz RSEZNPJSKOHKGU-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000190778368 565558580 /nfs/dbraw/zinc/55/85/80/565558580.db2.gz LNRYOMSUMMBSBQ-UHFFFAOYSA-N 2 0 392.341 3.469 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000278497448 565561985 /nfs/dbraw/zinc/56/19/85/565561985.db2.gz LIWCUXLBXZMNQN-LSJNQWAISA-N 2 0 380.374 3.311 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000391901042 565562647 /nfs/dbraw/zinc/56/26/47/565562647.db2.gz JMIGSDOXJVTEAS-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP C[C@H](C[NH2+]Cc1cc(Br)c(Cl)s1)CN1CC[NH+](C)CC1 ZINC000190952514 565572627 /nfs/dbraw/zinc/57/26/27/565572627.db2.gz CUOYRCMXABLTCH-LLVKDONJSA-N 2 0 380.783 3.137 20 0 GGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000173790745 565586365 /nfs/dbraw/zinc/58/63/65/565586365.db2.gz KROUWKYVUGZSPK-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000173794384 565587170 /nfs/dbraw/zinc/58/71/70/565587170.db2.gz MLNSAMOKWCZNIH-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000324205616 565616810 /nfs/dbraw/zinc/61/68/10/565616810.db2.gz OBZARAPGKYPISG-KRWDZBQOSA-N 2 0 396.373 3.278 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279524171 565618126 /nfs/dbraw/zinc/61/81/26/565618126.db2.gz OPMMMNUJLWVVKS-DMKPSLHHSA-N 2 0 380.374 3.311 20 0 GGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174224228 565621254 /nfs/dbraw/zinc/62/12/54/565621254.db2.gz FYRMOFDCULUHCC-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046217 565649186 /nfs/dbraw/zinc/64/91/86/565649186.db2.gz JHKSBVYVUULCIY-NSHDSACASA-N 2 0 394.368 3.023 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000329281221 565661987 /nfs/dbraw/zinc/66/19/87/565661987.db2.gz ABEQALNCAPTJOI-KRWDZBQOSA-N 2 0 392.341 3.354 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000174970946 565669727 /nfs/dbraw/zinc/66/97/27/565669727.db2.gz FWOVEBZNTUDLMN-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192622163 565702070 /nfs/dbraw/zinc/70/20/70/565702070.db2.gz TTZQNWMNHLKOFU-ROUUACIJSA-N 2 0 385.321 3.446 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934987 565720115 /nfs/dbraw/zinc/72/01/15/565720115.db2.gz KBJPNXHBDKMMQL-RDJZCZTQSA-N 2 0 377.330 3.146 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935015 565720260 /nfs/dbraw/zinc/72/02/60/565720260.db2.gz KBJPNXHBDKMMQL-DOTOQJQBSA-N 2 0 377.330 3.146 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cs3)c2)C1 ZINC000193095324 565732561 /nfs/dbraw/zinc/73/25/61/565732561.db2.gz KWBVCUDWWRSPHA-INIZCTEOSA-N 2 0 377.941 3.389 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000193160634 565735354 /nfs/dbraw/zinc/73/53/54/565735354.db2.gz NQHFVJPVFQDBGB-RBUKOAKNSA-N 2 0 380.374 3.298 20 0 GGADRP CC[NH+](CC)CCCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193474368 565754442 /nfs/dbraw/zinc/75/44/42/565754442.db2.gz MLYVGNLVCRBXFK-OAHLLOKOSA-N 2 0 397.361 3.227 20 0 GGADRP CC[NH+](CC)CCCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193474350 565754452 /nfs/dbraw/zinc/75/44/52/565754452.db2.gz MLYVGNLVCRBXFK-HNNXBMFYSA-N 2 0 397.361 3.227 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281980424 565758820 /nfs/dbraw/zinc/75/88/20/565758820.db2.gz KSHWUOCTAHBITJ-UHFFFAOYSA-N 2 0 377.273 3.052 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+]C3CCC([NH3+])CC3)C2=O)ccc1Br ZINC000331468880 565761285 /nfs/dbraw/zinc/76/12/85/565761285.db2.gz CCWQFKGOYAOHPR-KVULBXGLSA-N 2 0 380.330 3.112 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981487 565786936 /nfs/dbraw/zinc/78/69/36/565786936.db2.gz AYBHACCBYOMINP-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981504 565787349 /nfs/dbraw/zinc/78/73/49/565787349.db2.gz AYBHACCBYOMINP-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194068661 565792946 /nfs/dbraw/zinc/79/29/46/565792946.db2.gz ATHZLXKPRMEGCV-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP C[C@@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CN1CC[NH+](C)CC1 ZINC000284012506 565838438 /nfs/dbraw/zinc/83/84/38/565838438.db2.gz QAGRDVLIMOEUPV-HNNXBMFYSA-N 2 0 378.973 3.437 20 0 GGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000177259963 565838869 /nfs/dbraw/zinc/83/88/69/565838869.db2.gz VXECWBMJLWKVGK-OAHLLOKOSA-N 2 0 389.341 3.447 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000414188749 565901974 /nfs/dbraw/zinc/90/19/74/565901974.db2.gz JFWCJADIGUKJAW-OAHLLOKOSA-N 2 0 386.367 3.441 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000414204923 565902851 /nfs/dbraw/zinc/90/28/51/565902851.db2.gz WVGLSRSPPTZSQE-HNNXBMFYSA-N 2 0 386.367 3.441 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000227777915 565923173 /nfs/dbraw/zinc/92/31/73/565923173.db2.gz IPTXTAGQASZEEA-UHFFFAOYSA-N 2 0 380.783 3.280 20 0 GGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]1 ZINC000414741799 565957498 /nfs/dbraw/zinc/95/74/98/565957498.db2.gz HVUGQRJNYAHHTB-CABCVRRESA-N 2 0 394.357 3.488 20 0 GGADRP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)ccc1Br ZINC000414755710 565958825 /nfs/dbraw/zinc/95/88/25/565958825.db2.gz PLAVOQKAVGSLDK-QAPCUYQASA-N 2 0 394.357 3.092 20 0 GGADRP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751710 565959213 /nfs/dbraw/zinc/95/92/13/565959213.db2.gz AXSXRKKVXMCGQT-ZBFHGGJFSA-N 2 0 383.330 3.202 20 0 GGADRP CC(C)C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414757429 565959236 /nfs/dbraw/zinc/95/92/36/565959236.db2.gz SPKFGEPRXILNOR-INIZCTEOSA-N 2 0 396.373 3.104 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237440174 565960411 /nfs/dbraw/zinc/96/04/11/565960411.db2.gz SETJHUOHZALQOM-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP Fc1ccc(I)c(F)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414834178 565962045 /nfs/dbraw/zinc/96/20/45/565962045.db2.gz GYVFVMZGKKPXIE-SNVBAGLBSA-N 2 0 380.220 3.049 20 0 GGADRP CCC([NH3+])(CC)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414807239 565962168 /nfs/dbraw/zinc/96/21/68/565962168.db2.gz IUVIECVHDGAWDU-UHFFFAOYSA-N 2 0 396.373 3.469 20 0 GGADRP CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])cc1Br ZINC000414886090 565963538 /nfs/dbraw/zinc/96/35/38/565963538.db2.gz PMDOZVPEOODILK-VIFPVBQESA-N 2 0 380.124 3.295 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCC[NH2+]C1 ZINC000414857081 565963901 /nfs/dbraw/zinc/96/39/01/565963901.db2.gz OUXIVDTVSUVJNB-CVEARBPZSA-N 2 0 380.374 3.391 20 0 GGADRP CCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1Br ZINC000414887665 565963982 /nfs/dbraw/zinc/96/39/82/565963982.db2.gz QWLRUVPLEKJIFU-VIFPVBQESA-N 2 0 380.124 3.437 20 0 GGADRP Brc1cnc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414843570 565964017 /nfs/dbraw/zinc/96/40/17/565964017.db2.gz QFFBUTPNDAJIFU-SNVBAGLBSA-N 2 0 377.124 3.086 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414841677 565964291 /nfs/dbraw/zinc/96/42/91/565964291.db2.gz YMIUNEUREFZBLE-SNVBAGLBSA-N 2 0 392.135 3.309 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415029021 565970841 /nfs/dbraw/zinc/97/08/41/565970841.db2.gz ZUMQHUSANDCQRE-VIFPVBQESA-N 2 0 380.124 3.437 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414928523 565965450 /nfs/dbraw/zinc/96/54/50/565965450.db2.gz QDNLKGPAJLKOIL-DOTOQJQBSA-N 2 0 394.357 3.222 20 0 GGADRP Fc1ccc(I)c(F)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972295 565966483 /nfs/dbraw/zinc/96/64/83/565966483.db2.gz XMLWCRIUPOYZTK-JTQLQIEISA-N 2 0 380.220 3.191 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414948819 565966776 /nfs/dbraw/zinc/96/67/76/565966776.db2.gz MOFIUWGDQIVYJU-RHSMWYFYSA-N 2 0 394.357 3.092 20 0 GGADRP O=C1CC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414995045 565968055 /nfs/dbraw/zinc/96/80/55/565968055.db2.gz VPNJSJRJPATVST-MJGOQNOKSA-N 2 0 384.351 3.162 20 0 GGADRP Brc1ccc(-n2cc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000415015088 565970558 /nfs/dbraw/zinc/97/05/58/565970558.db2.gz YEHKYFNFJZUXMV-ZWKOTPCHSA-N 2 0 375.314 3.113 20 0 GGADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415042925 565970990 /nfs/dbraw/zinc/97/09/90/565970990.db2.gz RMSFSRXOZVHROA-GXSJLCMTSA-N 2 0 379.245 3.276 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415047783 565971737 /nfs/dbraw/zinc/97/17/37/565971737.db2.gz WCHVVQDWDNGDNG-ZBFHGGJFSA-N 2 0 377.330 3.469 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415047781 565971854 /nfs/dbraw/zinc/97/18/54/565971854.db2.gz WCHVVQDWDNGDNG-HOCLYGCPSA-N 2 0 377.330 3.469 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415047776 565972062 /nfs/dbraw/zinc/97/20/62/565972062.db2.gz WCHVVQDWDNGDNG-GDBMZVCRSA-N 2 0 377.330 3.469 20 0 GGADRP COc1ccc(Br)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415121557 565974731 /nfs/dbraw/zinc/97/47/31/565974731.db2.gz IPGNCZOZOKWSOZ-FUHWJXTLSA-N 2 0 383.330 3.176 20 0 GGADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415117318 565974882 /nfs/dbraw/zinc/97/48/82/565974882.db2.gz CFEUHQAIQFMMDT-WBVHZDCISA-N 2 0 383.330 3.176 20 0 GGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000415141071 565975635 /nfs/dbraw/zinc/97/56/35/565975635.db2.gz MINVXPTXIWXUFO-UHFFFAOYSA-N 2 0 375.310 3.402 20 0 GGADRP Clc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Br ZINC000415142333 565975835 /nfs/dbraw/zinc/97/58/35/565975835.db2.gz RCNIEEHRNSNNFJ-CJNGLKHVSA-N 2 0 385.733 3.303 20 0 GGADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000415141287 565976027 /nfs/dbraw/zinc/97/60/27/565976027.db2.gz MLZHENOBQZCSKQ-UHFFFAOYSA-N 2 0 381.339 3.463 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415128149 565976160 /nfs/dbraw/zinc/97/61/60/565976160.db2.gz RTLQMWTZVQPPJJ-QAPCUYQASA-N 2 0 383.330 3.176 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000245550392 565995703 /nfs/dbraw/zinc/99/57/03/565995703.db2.gz HQGANOXLTQRRKS-SUMWQHHRSA-N 2 0 385.321 3.402 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncc(Br)s1 ZINC000245672859 566000504 /nfs/dbraw/zinc/00/05/04/566000504.db2.gz PVGKURLTABXYTQ-FRRDWIJNSA-N 2 0 376.364 3.446 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000245770643 566005972 /nfs/dbraw/zinc/00/59/72/566005972.db2.gz RSQYZQCFIDXMBV-QFBILLFUSA-N 2 0 380.374 3.264 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877130 566009550 /nfs/dbraw/zinc/00/95/50/566009550.db2.gz KHBBQTFSQVANFI-CABCVRRESA-N 2 0 385.346 3.345 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877136 566009574 /nfs/dbraw/zinc/00/95/74/566009574.db2.gz KHBBQTFSQVANFI-GJZGRUSLSA-N 2 0 385.346 3.345 20 0 GGADRP Brc1ccc(-c2nnc(CN3CCC[C@H](c4ncc[nH]4)C3)o2)o1 ZINC000363566287 566011747 /nfs/dbraw/zinc/01/17/47/566011747.db2.gz PLBLEZJDCMATAX-JTQLQIEISA-N 2 0 378.230 3.195 20 0 GGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000363670452 566016043 /nfs/dbraw/zinc/01/60/43/566016043.db2.gz JUWZHSZPUTXKEQ-IBGZPJMESA-N 2 0 394.401 3.482 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180093358 566031692 /nfs/dbraw/zinc/03/16/92/566031692.db2.gz IHOQUQGDGOSDEE-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180093402 566032874 /nfs/dbraw/zinc/03/28/74/566032874.db2.gz IHOQUQGDGOSDEE-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Br)CC[C@H]21 ZINC000246724371 566038875 /nfs/dbraw/zinc/03/88/75/566038875.db2.gz FWAZLEPUTIDJEE-WMLDXEAASA-N 2 0 380.330 3.194 20 0 GGADRP O[C@H](COc1ccc(Br)cc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246873999 566044150 /nfs/dbraw/zinc/04/41/50/566044150.db2.gz APKUENZVYRUKQN-MSOLQXFVSA-N 2 0 397.357 3.139 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000247954185 566069703 /nfs/dbraw/zinc/06/97/03/566069703.db2.gz FISUFAUZSIMREI-ZBFHGGJFSA-N 2 0 385.346 3.345 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165924 566073493 /nfs/dbraw/zinc/07/34/93/566073493.db2.gz SXMLGPCKBIIEJE-CZUORRHYSA-N 2 0 381.314 3.136 20 0 GGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217482 566074792 /nfs/dbraw/zinc/07/47/92/566074792.db2.gz ZWVMJQAVYRKUTI-MAUKXSAKSA-N 2 0 396.373 3.118 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccccc1Cl ZINC000416857798 566110139 /nfs/dbraw/zinc/11/01/39/566110139.db2.gz YKQFUSLBFXGPDS-HUUCEWRRSA-N 2 0 376.879 3.005 20 0 GGADRP C[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1ccnc1 ZINC000252745444 566117380 /nfs/dbraw/zinc/11/73/80/566117380.db2.gz OPJIHVNTJLNPMB-IUODEOHRSA-N 2 0 378.270 3.457 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261601940 566125017 /nfs/dbraw/zinc/12/50/17/566125017.db2.gz BOMLNRNILHQMDJ-RDTXWAMCSA-N 2 0 394.357 3.090 20 0 GGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261670535 566128054 /nfs/dbraw/zinc/12/80/54/566128054.db2.gz FZYWQJKGYUHJMQ-IBGZPJMESA-N 2 0 390.325 3.001 20 0 GGADRP C[C@@]([NH3+])(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261742872 566131905 /nfs/dbraw/zinc/13/19/05/566131905.db2.gz LYDYGDBDTJFNKX-IBGZPJMESA-N 2 0 394.357 3.100 20 0 GGADRP C[C@]([NH3+])(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261742877 566132246 /nfs/dbraw/zinc/13/22/46/566132246.db2.gz LYDYGDBDTJFNKX-LJQANCHMSA-N 2 0 394.357 3.100 20 0 GGADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261764009 566133351 /nfs/dbraw/zinc/13/33/51/566133351.db2.gz VZXDOGGXQPCSAS-VKJFTORMSA-N 2 0 394.357 3.090 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000289662228 566133721 /nfs/dbraw/zinc/13/37/21/566133721.db2.gz IJCUHEIFGSCOSP-ZNZDAUKMSA-N 2 0 399.348 3.487 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000289662217 566134039 /nfs/dbraw/zinc/13/40/39/566134039.db2.gz IJCUHEIFGSCOSP-UPRAQXHNSA-N 2 0 399.348 3.487 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000261817865 566136254 /nfs/dbraw/zinc/13/62/54/566136254.db2.gz SLLLFBXSVLSULD-NVXWUHKLSA-N 2 0 396.354 3.104 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181461281 566142029 /nfs/dbraw/zinc/14/20/29/566142029.db2.gz JQAVBEITQNWPGK-BEFAXECRSA-N 2 0 398.389 3.380 20 0 GGADRP COCCC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246168 566142876 /nfs/dbraw/zinc/14/28/76/566142876.db2.gz VYBDORREBVDFKH-OTWHNJEPSA-N 2 0 397.357 3.370 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000261983718 566142918 /nfs/dbraw/zinc/14/29/18/566142918.db2.gz JEZRYQDQBZERLQ-HNNXBMFYSA-N 2 0 396.373 3.118 20 0 GGADRP COCCC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246170 566143131 /nfs/dbraw/zinc/14/31/31/566143131.db2.gz VYBDORREBVDFKH-QYZOEREBSA-N 2 0 397.357 3.370 20 0 GGADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074130 566145649 /nfs/dbraw/zinc/14/56/49/566145649.db2.gz SHKRBGPVIKAJEF-HNNXBMFYSA-N 2 0 377.838 3.178 20 0 GGADRP Brc1ccc(-n2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000262137863 566146741 /nfs/dbraw/zinc/14/67/41/566146741.db2.gz YWDDMTDEHPWNIB-UHFFFAOYSA-N 2 0 375.314 3.210 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262248955 566149711 /nfs/dbraw/zinc/14/97/11/566149711.db2.gz PUIIMKAGAWFBBF-UHFFFAOYSA-N 2 0 380.330 3.099 20 0 GGADRP C[NH2+]CCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000262343657 566150698 /nfs/dbraw/zinc/15/06/98/566150698.db2.gz IFLKDGYPJCUXEZ-KRWDZBQOSA-N 2 0 377.941 3.227 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccccc1Cl ZINC000262451496 566152871 /nfs/dbraw/zinc/15/28/71/566152871.db2.gz ZQLIERHAJINDSL-INIZCTEOSA-N 2 0 380.945 3.111 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181691173 566159051 /nfs/dbraw/zinc/15/90/51/566159051.db2.gz ZGHOMTGJFKWARJ-HZPDHXFCSA-N 2 0 398.389 3.382 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(Br)c1 ZINC000181704454 566159874 /nfs/dbraw/zinc/15/98/74/566159874.db2.gz LEMXZWGGWPZEBC-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP C[NH2+]CCCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418278659 566207968 /nfs/dbraw/zinc/20/79/68/566207968.db2.gz MNCVIEXACKSINJ-UHFFFAOYSA-N 2 0 387.355 3.210 20 0 GGADRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000367617140 566209128 /nfs/dbraw/zinc/20/91/28/566209128.db2.gz JNXCVDZBONVWBG-QGZVFWFLSA-N 2 0 396.373 3.058 20 0 GGADRP C[NH2+]C[C@@H](C)CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418382205 566210998 /nfs/dbraw/zinc/21/09/98/566210998.db2.gz IHECQSRQZYRYPR-CQSZACIVSA-N 2 0 389.371 3.312 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370942 566211476 /nfs/dbraw/zinc/21/14/76/566211476.db2.gz PJSVTUSRZKORQY-OAHLLOKOSA-N 2 0 387.355 3.209 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)C[NH3+] ZINC000418614679 566218642 /nfs/dbraw/zinc/21/86/42/566218642.db2.gz JMLDOUFUNCFHLH-ZDUSSCGKSA-N 2 0 375.344 3.194 20 0 GGADRP C[C@@H](CCCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418690102 566219421 /nfs/dbraw/zinc/21/94/21/566219421.db2.gz GMYQRIYZZDADMN-HNNXBMFYSA-N 2 0 399.377 3.040 20 0 GGADRP C[N@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050818 566228652 /nfs/dbraw/zinc/22/86/52/566228652.db2.gz IDXUMOOLWGITBK-MRXNPFEDSA-N 2 0 376.595 3.472 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCc2ccc(Br)cc21 ZINC000182963135 566232654 /nfs/dbraw/zinc/23/26/54/566232654.db2.gz ITUCZVZTEJGNFP-IBGZPJMESA-N 2 0 380.374 3.396 20 0 GGADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000462134862 566253427 /nfs/dbraw/zinc/25/34/27/566253427.db2.gz ACIRAACAPKVPAA-MRXNPFEDSA-N 2 0 398.389 3.285 20 0 GGADRP Cc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000534869457 566261719 /nfs/dbraw/zinc/26/17/19/566261719.db2.gz ZWIVYFNVWBQAAH-SFHVURJKSA-N 2 0 380.374 3.358 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420297461 566271257 /nfs/dbraw/zinc/27/12/57/566271257.db2.gz FSNAXGFGGKEINO-OAHLLOKOSA-N 2 0 394.357 3.489 20 0 GGADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000420297084 566272207 /nfs/dbraw/zinc/27/22/07/566272207.db2.gz FIZOWTJCLNSMDM-HNNXBMFYSA-N 2 0 393.329 3.034 20 0 GGADRP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334240 566273114 /nfs/dbraw/zinc/27/31/14/566273114.db2.gz IXEVZGOLPHUEFK-GOSISDBHSA-N 2 0 384.351 3.416 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(Br)c1 ZINC000420340583 566273341 /nfs/dbraw/zinc/27/33/41/566273341.db2.gz SVOIILLLZHNKJT-KRWDZBQOSA-N 2 0 380.330 3.242 20 0 GGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420371797 566273574 /nfs/dbraw/zinc/27/35/74/566273574.db2.gz DOCAJOJHSJHNTA-FUHWJXTLSA-N 2 0 383.330 3.046 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420330119 566273791 /nfs/dbraw/zinc/27/37/91/566273791.db2.gz ABYOXPZBEFINNH-CXAGYDPISA-N 2 0 380.330 3.240 20 0 GGADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420371800 566273895 /nfs/dbraw/zinc/27/38/95/566273895.db2.gz DOCAJOJHSJHNTA-SJLPKXTDSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000420372390 566274351 /nfs/dbraw/zinc/27/43/51/566274351.db2.gz FKBTVJUKYGWGJJ-MSOLQXFVSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000420389988 566276916 /nfs/dbraw/zinc/27/69/16/566276916.db2.gz MWDLKRSPDONPCR-WMZOPIPTSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000420382686 566277044 /nfs/dbraw/zinc/27/70/44/566277044.db2.gz DZDKYHUETMEMKD-MAUKXSAKSA-N 2 0 383.330 3.046 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000575737923 566280006 /nfs/dbraw/zinc/28/00/06/566280006.db2.gz HUNRDGRPTCAITO-UHFFFAOYSA-N 2 0 380.374 3.312 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575869362 566293661 /nfs/dbraw/zinc/29/36/61/566293661.db2.gz SQKNBEIWMMFNNN-RBSFLKMASA-N 2 0 380.330 3.098 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575869361 566293759 /nfs/dbraw/zinc/29/37/59/566293759.db2.gz SQKNBEIWMMFNNN-QLFBSQMISA-N 2 0 380.330 3.098 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575869359 566294693 /nfs/dbraw/zinc/29/46/93/566294693.db2.gz SQKNBEIWMMFNNN-ILXRZTDVSA-N 2 0 380.330 3.098 20 0 GGADRP C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000575968176 566300798 /nfs/dbraw/zinc/30/07/98/566300798.db2.gz FRMAYRQTRLJAED-CYBMUJFWSA-N 2 0 379.302 3.030 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000482457449 566309632 /nfs/dbraw/zinc/30/96/32/566309632.db2.gz VDLXMXPYMYDXHH-HNNXBMFYSA-N 2 0 379.961 3.445 20 0 GGADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000482561769 566318133 /nfs/dbraw/zinc/31/81/33/566318133.db2.gz DORSDYZETQQNBX-WBVHZDCISA-N 2 0 382.346 3.077 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000482553691 566318217 /nfs/dbraw/zinc/31/82/17/566318217.db2.gz JYHSYLHUEPAFBH-CYBMUJFWSA-N 2 0 392.345 3.331 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Br)c21 ZINC000482568306 566318365 /nfs/dbraw/zinc/31/83/65/566318365.db2.gz XKMJGUANRHPDIV-CPUCHLNUSA-N 2 0 394.357 3.174 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000462537360 566319365 /nfs/dbraw/zinc/31/93/65/566319365.db2.gz VEPLRNVYYPYIBB-GASCZTMLSA-N 2 0 397.357 3.363 20 0 GGADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Br ZINC000669691622 566322204 /nfs/dbraw/zinc/32/22/04/566322204.db2.gz FZJKLXWYDOHFJB-GOSISDBHSA-N 2 0 380.374 3.358 20 0 GGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633910 566323451 /nfs/dbraw/zinc/32/34/51/566323451.db2.gz XYUCZLNBEXWGKL-HUUCEWRRSA-N 2 0 386.323 3.137 20 0 GGADRP C[N@@H+]1CCC[C@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448440 566323579 /nfs/dbraw/zinc/32/35/79/566323579.db2.gz LHUCRPCERZIIKQ-HKUYNNGSSA-N 2 0 392.341 3.120 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448445 566323711 /nfs/dbraw/zinc/32/37/11/566323711.db2.gz LHUCRPCERZIIKQ-PKOBYXMFSA-N 2 0 392.341 3.120 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452062 566326008 /nfs/dbraw/zinc/32/60/08/566326008.db2.gz OOWUTYMTCGMRRU-HKUYNNGSSA-N 2 0 392.341 3.120 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452075 566326207 /nfs/dbraw/zinc/32/62/07/566326207.db2.gz OOWUTYMTCGMRRU-PKOBYXMFSA-N 2 0 392.341 3.120 20 0 GGADRP COc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Br)c1 ZINC000556837469 566338100 /nfs/dbraw/zinc/33/81/00/566338100.db2.gz ASFYNURJDBPEBA-UHFFFAOYSA-N 2 0 391.313 3.217 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1Cl ZINC000536072071 566350203 /nfs/dbraw/zinc/35/02/03/566350203.db2.gz HDKKPLZHZFVTBW-YJBOKZPZSA-N 2 0 383.989 3.276 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000576498978 566351390 /nfs/dbraw/zinc/35/13/90/566351390.db2.gz VBBHLYSVYKPBKU-XYPHTWIQSA-N 2 0 380.330 3.383 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000576498975 566352212 /nfs/dbraw/zinc/35/22/12/566352212.db2.gz VBBHLYSVYKPBKU-XOKHGSTOSA-N 2 0 380.330 3.383 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536157083 566354684 /nfs/dbraw/zinc/35/46/84/566354684.db2.gz CODTVCSRUREDRY-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536180503 566356440 /nfs/dbraw/zinc/35/64/40/566356440.db2.gz XIQSEMLLZJXIBP-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000536301686 566363084 /nfs/dbraw/zinc/36/30/84/566363084.db2.gz DXQJQYDHSGKAML-PXAZEXFGSA-N 2 0 386.765 3.315 20 0 GGADRP COCC[NH+]1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000462917011 566369131 /nfs/dbraw/zinc/36/91/31/566369131.db2.gz MTJFJDCROJXUGN-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP COc1cc(Br)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000446886900 566369572 /nfs/dbraw/zinc/36/95/72/566369572.db2.gz LJSAOFPBRCCOPM-UHFFFAOYSA-N 2 0 383.330 3.430 20 0 GGADRP COc1cc(Br)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1O ZINC000576750367 566374445 /nfs/dbraw/zinc/37/44/45/566374445.db2.gz ZRVSDZPTLNHONN-UHFFFAOYSA-N 2 0 389.359 3.080 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000577094858 566403964 /nfs/dbraw/zinc/40/39/64/566403964.db2.gz GPGGWMKJOUAMCM-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510699999 566405918 /nfs/dbraw/zinc/40/59/18/566405918.db2.gz DEGAVHBDIXJVSR-GUDVDZBRSA-N 2 0 379.342 3.404 20 0 GGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000577178314 566413175 /nfs/dbraw/zinc/41/31/75/566413175.db2.gz RMXYGSGBWLXAFU-ZDUSSCGKSA-N 2 0 395.370 3.128 20 0 GGADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421891843 566415403 /nfs/dbraw/zinc/41/54/03/566415403.db2.gz YWNATHMQFROFOV-DQPZFDDXSA-N 2 0 387.977 3.162 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Cl)cc1I ZINC000447566701 566416497 /nfs/dbraw/zinc/41/64/97/566416497.db2.gz VTQIEHZMPYPOLR-HZMBPMFUSA-N 2 0 378.685 3.374 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000537295765 566437146 /nfs/dbraw/zinc/43/71/46/566437146.db2.gz NHAIHGUDJWPIJY-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000537295759 566437379 /nfs/dbraw/zinc/43/73/79/566437379.db2.gz NHAIHGUDJWPIJY-HNNXBMFYSA-N 2 0 384.362 3.136 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537344803 566439524 /nfs/dbraw/zinc/43/95/24/566439524.db2.gz SMOISXSRBSIJRR-UHFFFAOYSA-N 2 0 375.314 3.295 20 0 GGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000422637624 566460692 /nfs/dbraw/zinc/46/06/92/566460692.db2.gz PCNQSYUNNQDVLS-JHJVBQTASA-N 2 0 386.309 3.222 20 0 GGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422726720 566462599 /nfs/dbraw/zinc/46/25/99/566462599.db2.gz AFZPYLGNIBAXQY-PBHICJAKSA-N 2 0 382.346 3.079 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859620 566462935 /nfs/dbraw/zinc/46/29/35/566462935.db2.gz KMUJAUXHHBOEOU-KURKYZTESA-N 2 0 394.357 3.079 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000422760469 566463146 /nfs/dbraw/zinc/46/31/46/566463146.db2.gz LVXBOMIDWJJYIZ-CABCVRRESA-N 2 0 397.357 3.291 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422748361 566463499 /nfs/dbraw/zinc/46/34/99/566463499.db2.gz UFBDNXMTGXUKOU-RCCFBDPRSA-N 2 0 379.342 3.227 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875660 566464587 /nfs/dbraw/zinc/46/45/87/566464587.db2.gz FNMOBZGBVMGGMV-KZNAEPCWSA-N 2 0 381.358 3.473 20 0 GGADRP Brc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422878832 566464661 /nfs/dbraw/zinc/46/46/61/566464661.db2.gz KTWBHTOWSXBKOI-JWTNVVGKSA-N 2 0 379.342 3.370 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880869 566464754 /nfs/dbraw/zinc/46/47/54/566464754.db2.gz PDMITSYPORHSNZ-JCKWVBRZSA-N 2 0 387.351 3.384 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895424 566464948 /nfs/dbraw/zinc/46/49/48/566464948.db2.gz VYYZYIXCBBKROJ-BEFAXECRSA-N 2 0 380.374 3.391 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000422882362 566465327 /nfs/dbraw/zinc/46/53/27/566465327.db2.gz SCBLCEOFPNRYBO-MSOLQXFVSA-N 2 0 388.309 3.303 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875659 566465511 /nfs/dbraw/zinc/46/55/11/566465511.db2.gz FNMOBZGBVMGGMV-FGTMMUONSA-N 2 0 381.358 3.473 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875928 566465547 /nfs/dbraw/zinc/46/55/47/566465547.db2.gz DNVVUSDHQSJFCH-KZNAEPCWSA-N 2 0 381.358 3.473 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875927 566465746 /nfs/dbraw/zinc/46/57/46/566465746.db2.gz DNVVUSDHQSJFCH-FGTMMUONSA-N 2 0 381.358 3.473 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876898 566465777 /nfs/dbraw/zinc/46/57/77/566465777.db2.gz GQCXBGUIADJUOA-RCCFBDPRSA-N 2 0 394.357 3.079 20 0 GGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945590 566466320 /nfs/dbraw/zinc/46/63/20/566466320.db2.gz VBSRSQYLHZXQIS-CYGHRXIMSA-N 2 0 397.357 3.089 20 0 GGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422933915 566467028 /nfs/dbraw/zinc/46/70/28/566467028.db2.gz IWGYPCIJIRPIPS-NUEKZKHPSA-N 2 0 381.314 3.231 20 0 GGADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958619 566467062 /nfs/dbraw/zinc/46/70/62/566467062.db2.gz YMIGQZUVFMPHGK-WMLDXEAASA-N 2 0 382.346 3.079 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000422961576 566467081 /nfs/dbraw/zinc/46/70/81/566467081.db2.gz ZHLUVDFLXYCVSC-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422936095 566467489 /nfs/dbraw/zinc/46/74/89/566467489.db2.gz HZFBZRKNQKQJMQ-OWCLPIDISA-N 2 0 385.346 3.089 20 0 GGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422933916 566467577 /nfs/dbraw/zinc/46/75/77/566467577.db2.gz IWGYPCIJIRPIPS-VNQPRFMTSA-N 2 0 381.314 3.231 20 0 GGADRP Cc1cc(Br)cn2cc(CN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])nc12 ZINC000423031854 566468821 /nfs/dbraw/zinc/46/88/21/566468821.db2.gz DUXLNUDFDYRZDM-KSSFIOAISA-N 2 0 387.325 3.453 20 0 GGADRP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423057420 566470826 /nfs/dbraw/zinc/47/08/26/566470826.db2.gz ZQJFCPWUPGFFID-WMLDXEAASA-N 2 0 382.346 3.360 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000423040267 566471387 /nfs/dbraw/zinc/47/13/87/566471387.db2.gz SWPOLSVGSGEATM-KSZLIROESA-N 2 0 391.357 3.458 20 0 GGADRP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705340 566471970 /nfs/dbraw/zinc/47/19/70/566471970.db2.gz DZLGBKFEJXRSDD-QANKJYHBSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707416 566471984 /nfs/dbraw/zinc/47/19/84/566471984.db2.gz FJRAPMKSKWXUNO-JOQOYGCGSA-N 2 0 383.330 3.176 20 0 GGADRP COc1sc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650708055 566472109 /nfs/dbraw/zinc/47/21/09/566472109.db2.gz SQIKEQYGMKDVHV-ZOWXZIJZSA-N 2 0 389.359 3.238 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073502 566472435 /nfs/dbraw/zinc/47/24/35/566472435.db2.gz IUJAJMQOEXOKEJ-GDAAHCPNSA-N 2 0 381.358 3.110 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074140 566472652 /nfs/dbraw/zinc/47/26/52/566472652.db2.gz UBWYXTREKLSCAS-CWLKWCNXSA-N 2 0 384.351 3.319 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC000423076945 566472692 /nfs/dbraw/zinc/47/26/92/566472692.db2.gz SDQPKAIXDSJDEA-KYNGSXCRSA-N 2 0 375.310 3.335 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC000423076946 566473389 /nfs/dbraw/zinc/47/33/89/566473389.db2.gz SDQPKAIXDSJDEA-NIKGAXFTSA-N 2 0 375.310 3.335 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070690 566473511 /nfs/dbraw/zinc/47/35/11/566473511.db2.gz DFCBTOLMWOQPOZ-IAAVTCLWSA-N 2 0 381.358 3.110 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078000 566473625 /nfs/dbraw/zinc/47/36/25/566473625.db2.gz VACMXOMCCKWPMY-CZUORRHYSA-N 2 0 392.341 3.113 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423073648 566473638 /nfs/dbraw/zinc/47/36/38/566473638.db2.gz JMXBUJMVFYSMTN-CZUORRHYSA-N 2 0 392.341 3.113 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC000423076944 566473684 /nfs/dbraw/zinc/47/36/84/566473684.db2.gz SDQPKAIXDSJDEA-GDIGMMSISA-N 2 0 375.310 3.335 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000423082676 566473741 /nfs/dbraw/zinc/47/37/41/566473741.db2.gz FNRDPUUMWFWOCJ-GHMZBOCLSA-N 2 0 379.448 3.134 20 0 GGADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC000423076947 566473924 /nfs/dbraw/zinc/47/39/24/566473924.db2.gz SDQPKAIXDSJDEA-ZMYBRWDISA-N 2 0 375.310 3.335 20 0 GGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000423130741 566476906 /nfs/dbraw/zinc/47/69/06/566476906.db2.gz YVDHMRNTNLAFDM-BHYGNILZSA-N 2 0 392.341 3.220 20 0 GGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c21 ZINC000423130744 566477196 /nfs/dbraw/zinc/47/71/96/566477196.db2.gz YVDHMRNTNLAFDM-USXIJHARSA-N 2 0 392.341 3.220 20 0 GGADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000423130210 566477477 /nfs/dbraw/zinc/47/74/77/566477477.db2.gz MVTLZLMXGQZWIC-ZQIUZPCESA-N 2 0 385.346 3.249 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1OCCCO ZINC000423136664 566478784 /nfs/dbraw/zinc/47/87/84/566478784.db2.gz VNQIOBCORROVEN-GRDNDAEWSA-N 2 0 385.346 3.378 20 0 GGADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423142654 566479080 /nfs/dbraw/zinc/47/90/80/566479080.db2.gz AZBRTDAVAPVEQR-BHYGNILZSA-N 2 0 387.749 3.392 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1OCCCO ZINC000423136966 566479144 /nfs/dbraw/zinc/47/91/44/566479144.db2.gz VNQIOBCORROVEN-VBQJREDUSA-N 2 0 385.346 3.378 20 0 GGADRP Brc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423181970 566479907 /nfs/dbraw/zinc/47/99/07/566479907.db2.gz KBHDOSLQJCLJMQ-HXUWFJFHSA-N 2 0 388.353 3.423 20 0 GGADRP [NH3+]CC1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000423156463 566480205 /nfs/dbraw/zinc/48/02/05/566480205.db2.gz LAZAGZNFXOSFIP-UHFFFAOYSA-N 2 0 377.124 3.214 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423161061 566480263 /nfs/dbraw/zinc/48/02/63/566480263.db2.gz NDPRVNOVBSHPBB-JQERWDHBSA-N 2 0 395.385 3.419 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423161064 566480335 /nfs/dbraw/zinc/48/03/35/566480335.db2.gz NDPRVNOVBSHPBB-SMMRIJLZSA-N 2 0 395.385 3.419 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178835 566480475 /nfs/dbraw/zinc/48/04/75/566480475.db2.gz ISXHEOOHYABTCG-BEFAXECRSA-N 2 0 380.374 3.391 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423214266 566481820 /nfs/dbraw/zinc/48/18/20/566481820.db2.gz ONKZUKIVNNOQSG-WFASDCNBSA-N 2 0 386.277 3.094 20 0 GGADRP Fc1ccccc1[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423200133 566481951 /nfs/dbraw/zinc/48/19/51/566481951.db2.gz DKGMCAYMFMQSIX-LJQANCHMSA-N 2 0 392.316 3.172 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000423195052 566482323 /nfs/dbraw/zinc/48/23/23/566482323.db2.gz XIEBJMOKUXBRPX-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423203164 566482546 /nfs/dbraw/zinc/48/25/46/566482546.db2.gz MHHRBOQKVHYNBD-NSHDSACASA-N 2 0 380.252 3.024 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423191008 566482644 /nfs/dbraw/zinc/48/26/44/566482644.db2.gz TZNXLDDMRPZFFJ-SUMWQHHRSA-N 2 0 384.387 3.117 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423191515 566482681 /nfs/dbraw/zinc/48/26/81/566482681.db2.gz UKBRLGKEJYOGCV-LBPRGKRZSA-N 2 0 394.279 3.414 20 0 GGADRP [NH3+]C1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000423213926 566482822 /nfs/dbraw/zinc/48/28/22/566482822.db2.gz KQDHPMVHOWLDEU-SSDMNJCBSA-N 2 0 386.277 3.364 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423250020 566484175 /nfs/dbraw/zinc/48/41/75/566484175.db2.gz PUVKFXCHQJTAQG-WFASDCNBSA-N 2 0 386.277 3.094 20 0 GGADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423280296 566484370 /nfs/dbraw/zinc/48/43/70/566484370.db2.gz UJTCXDQTWLTGLQ-NWDGAFQWSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423280298 566484892 /nfs/dbraw/zinc/48/48/92/566484892.db2.gz UJTCXDQTWLTGLQ-VXGBXAGGSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423387536 566485714 /nfs/dbraw/zinc/48/57/14/566485714.db2.gz MBXAFDUBYHONIP-FMSGJZPZSA-N 2 0 381.895 3.319 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423382363 566485802 /nfs/dbraw/zinc/48/58/02/566485802.db2.gz IMQCBIVBMAYIQN-ABXWRUBCSA-N 2 0 375.401 3.169 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423382368 566485815 /nfs/dbraw/zinc/48/58/15/566485815.db2.gz IMQCBIVBMAYIQN-BLYZHGLHSA-N 2 0 375.401 3.169 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392847 566486576 /nfs/dbraw/zinc/48/65/76/566486576.db2.gz QUIMAPGLCRAIJQ-HZMBPMFUSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392850 566486623 /nfs/dbraw/zinc/48/66/23/566486623.db2.gz QUIMAPGLCRAIJQ-YGRLFVJLSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1F ZINC000423379202 566486641 /nfs/dbraw/zinc/48/66/41/566486641.db2.gz GKOYISFUCHOTCM-IINYFYTJSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000423399686 566487574 /nfs/dbraw/zinc/48/75/74/566487574.db2.gz WNTVXYDMVWYCIS-HZMBPMFUSA-N 2 0 398.242 3.075 20 0 GGADRP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423446383 566488712 /nfs/dbraw/zinc/48/87/12/566488712.db2.gz CNKQXUMRBWPWHW-SCTDSRPQSA-N 2 0 394.357 3.137 20 0 GGADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404199 566488806 /nfs/dbraw/zinc/48/88/06/566488806.db2.gz ZMNZRTJWRHMCLN-AAEUAGOBSA-N 2 0 378.508 3.236 20 0 GGADRP COCC1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423405484 566488848 /nfs/dbraw/zinc/48/88/48/566488848.db2.gz JJDGTRCQNQHFPH-MRXNPFEDSA-N 2 0 383.330 3.269 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493020 566490559 /nfs/dbraw/zinc/49/05/59/566490559.db2.gz PFDBWRWICCZCEK-CORIIIEPSA-N 2 0 378.318 3.116 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423457651 566491396 /nfs/dbraw/zinc/49/13/96/566491396.db2.gz PDBLLYCSNWXPMK-HIIUDZQISA-N 2 0 388.314 3.430 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423555549 566492114 /nfs/dbraw/zinc/49/21/14/566492114.db2.gz XTEQNWUCUJFXJV-HHXXYDBFSA-N 2 0 392.385 3.391 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423545141 566493127 /nfs/dbraw/zinc/49/31/27/566493127.db2.gz XQSGUAQJPZUKCT-MRXNPFEDSA-N 2 0 398.288 3.404 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651185045 566500989 /nfs/dbraw/zinc/50/09/89/566500989.db2.gz ZXXIVMBLSCRVDM-LJQANCHMSA-N 2 0 394.401 3.386 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651185044 566501207 /nfs/dbraw/zinc/50/12/07/566501207.db2.gz ZXXIVMBLSCRVDM-IBGZPJMESA-N 2 0 394.401 3.386 20 0 GGADRP Cc1csc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000424019899 566503844 /nfs/dbraw/zinc/50/38/44/566503844.db2.gz NDVKSIQKIHBZCV-UHFFFAOYSA-N 2 0 377.941 3.433 20 0 GGADRP [NH3+]C1(CNC(=O)Cc2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018130 566504001 /nfs/dbraw/zinc/50/40/01/566504001.db2.gz IMNINFYAPYEGHE-UHFFFAOYSA-N 2 0 377.941 3.054 20 0 GGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000512041140 566508828 /nfs/dbraw/zinc/50/88/28/566508828.db2.gz SKGMJUXYPCEKCF-GASCZTMLSA-N 2 0 385.346 3.437 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000578324110 566512418 /nfs/dbraw/zinc/51/24/18/566512418.db2.gz RKZJRYXCHUKPAR-HUUCEWRRSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000578324111 566513054 /nfs/dbraw/zinc/51/30/54/566513054.db2.gz RKZJRYXCHUKPAR-LSDHHAIUSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(I)s1 ZINC000512144340 566516642 /nfs/dbraw/zinc/51/66/42/566516642.db2.gz JVLBUADYOQZFKL-GFCCVEGCSA-N 2 0 393.338 3.492 20 0 GGADRP NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975880 566517644 /nfs/dbraw/zinc/51/76/44/566517644.db2.gz FMZXVUZYMVNULN-ZWKOTPCHSA-N 2 0 394.357 3.146 20 0 GGADRP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460498 566523497 /nfs/dbraw/zinc/52/34/97/566523497.db2.gz PXBQAFJNITXXTD-DOTOQJQBSA-N 2 0 383.374 3.228 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424288669 566525551 /nfs/dbraw/zinc/52/55/51/566525551.db2.gz KXHKWWXWZMWTTH-CQSZACIVSA-N 2 0 380.330 3.242 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297535 566527222 /nfs/dbraw/zinc/52/72/22/566527222.db2.gz SVZCBQOOXMZIOG-AWEZNQCLSA-N 2 0 380.330 3.160 20 0 GGADRP Cc1cc(Br)cn2c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cnc12 ZINC000424380552 566530929 /nfs/dbraw/zinc/53/09/29/566530929.db2.gz PXTWRJOZLIMIFN-CQSZACIVSA-N 2 0 377.330 3.369 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449251022 566541371 /nfs/dbraw/zinc/54/13/71/566541371.db2.gz QDVSIBVKVJIDFX-OAHLLOKOSA-N 2 0 391.357 3.113 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673601882 566546263 /nfs/dbraw/zinc/54/62/63/566546263.db2.gz BKFLLZPUUMBCTO-YOEHRIQHSA-N 2 0 398.364 3.277 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1(C)C ZINC000449305176 566546456 /nfs/dbraw/zinc/54/64/56/566546456.db2.gz RISVQAWJKYDQRI-UHFFFAOYSA-N 2 0 398.364 3.450 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccnc2c(Br)cccc12 ZINC000449324490 566547846 /nfs/dbraw/zinc/54/78/46/566547846.db2.gz FYWMVHMVQSFSIE-UHFFFAOYSA-N 2 0 391.357 3.067 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000539306289 566571931 /nfs/dbraw/zinc/57/19/31/566571931.db2.gz QAQACDFIKWRGMF-RDTXWAMCSA-N 2 0 398.414 3.459 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000539306286 566571961 /nfs/dbraw/zinc/57/19/61/566571961.db2.gz QAQACDFIKWRGMF-KBXCAEBGSA-N 2 0 398.414 3.459 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000539306288 566572294 /nfs/dbraw/zinc/57/22/94/566572294.db2.gz QAQACDFIKWRGMF-KSSFIOAISA-N 2 0 398.414 3.459 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449597579 566579180 /nfs/dbraw/zinc/57/91/80/566579180.db2.gz FYBCWMVXAOZRFH-CQSZACIVSA-N 2 0 387.337 3.203 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600125 566580877 /nfs/dbraw/zinc/58/08/77/566580877.db2.gz NDNXGXOAKHVVLA-INIZCTEOSA-N 2 0 399.373 3.073 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449678813 566589701 /nfs/dbraw/zinc/58/97/01/566589701.db2.gz BZWVNCFMVCFBJG-OAHLLOKOSA-N 2 0 387.337 3.203 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000449680470 566591143 /nfs/dbraw/zinc/59/11/43/566591143.db2.gz HAYUSDKBWWSBRS-XUWXXGDYSA-N 2 0 387.337 3.059 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000449680468 566591227 /nfs/dbraw/zinc/59/12/27/566591227.db2.gz HAYUSDKBWWSBRS-SIIHOXLZSA-N 2 0 387.337 3.059 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449684991 566592739 /nfs/dbraw/zinc/59/27/39/566592739.db2.gz QSAIBONAXIDRFN-SZMVWBNQSA-N 2 0 381.358 3.125 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)c(OC)s2)CC1 ZINC000449748148 566597553 /nfs/dbraw/zinc/59/75/53/566597553.db2.gz ZWSFWCYSULUIFE-UHFFFAOYSA-N 2 0 390.391 3.025 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000449746028 566597666 /nfs/dbraw/zinc/59/76/66/566597666.db2.gz PYFHUHJDICLYLP-UHFFFAOYSA-N 2 0 375.891 3.447 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)C1 ZINC000652345757 566603058 /nfs/dbraw/zinc/60/30/58/566603058.db2.gz LCURQVWBZDVJMU-ZENOOKHLSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000652349414 566603721 /nfs/dbraw/zinc/60/37/21/566603721.db2.gz OJUHWLASINSCRC-KYJSFNMBSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)C1 ZINC000652345756 566603863 /nfs/dbraw/zinc/60/38/63/566603863.db2.gz LCURQVWBZDVJMU-XJKCOSOUSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000652345983 566603930 /nfs/dbraw/zinc/60/39/30/566603930.db2.gz QKMNAKALSVENQR-YXJHDRRASA-N 2 0 383.330 3.046 20 0 GGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000652353993 566605639 /nfs/dbraw/zinc/60/56/39/566605639.db2.gz KARKIISMXPDGRG-LRDDRELGSA-N 2 0 386.309 3.366 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000579495902 566614242 /nfs/dbraw/zinc/61/42/42/566614242.db2.gz QIZNSNFYQNSSNI-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Br ZINC000425209606 566617556 /nfs/dbraw/zinc/61/75/56/566617556.db2.gz SDDIRRBVDHSJMC-CHWSQXEVSA-N 2 0 376.298 3.467 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000580069451 566663521 /nfs/dbraw/zinc/66/35/21/566663521.db2.gz FUKFOLNGJGCSJV-GOSISDBHSA-N 2 0 382.346 3.004 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000580087761 566664718 /nfs/dbraw/zinc/66/47/18/566664718.db2.gz ABOUXRJYOMVQSP-SJORKVTESA-N 2 0 381.358 3.133 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000629532327 566664841 /nfs/dbraw/zinc/66/48/41/566664841.db2.gz VNTGJTCAZRURAL-QAPCUYQASA-N 2 0 392.341 3.024 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000629532328 566664874 /nfs/dbraw/zinc/66/48/74/566664874.db2.gz VNTGJTCAZRURAL-YJBOKZPZSA-N 2 0 392.341 3.024 20 0 GGADRP O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1)C[NH+]1CCCC1 ZINC000629579160 566668113 /nfs/dbraw/zinc/66/81/13/566668113.db2.gz APWNMORZTIRZET-AWEZNQCLSA-N 2 0 387.749 3.180 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872770 566668347 /nfs/dbraw/zinc/66/83/47/566668347.db2.gz NYJLWPKWQZXJHO-QFBILLFUSA-N 2 0 378.358 3.195 20 0 GGADRP O[C@@H]1CCCC[C@@H]1C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000580198018 566673050 /nfs/dbraw/zinc/67/30/50/566673050.db2.gz OBMMKGMXPJOJHH-GDBMZVCRSA-N 2 0 382.302 3.292 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)c(F)c1 ZINC000676077485 566675479 /nfs/dbraw/zinc/67/54/79/566675479.db2.gz RLUDLIOYMLFDAN-DZGCQCFKSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)c(F)c1 ZINC000676077487 566675658 /nfs/dbraw/zinc/67/56/58/566675658.db2.gz RLUDLIOYMLFDAN-HIFRSBDPSA-N 2 0 384.337 3.407 20 0 GGADRP FC(F)(F)[C@@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)N1CC[NH2+]CC1 ZINC000580289864 566681533 /nfs/dbraw/zinc/68/15/33/566681533.db2.gz GYQAHJVCRONKKC-OAHLLOKOSA-N 2 0 376.492 3.117 20 0 GGADRP FC(F)(F)[C@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)N1CC[NH2+]CC1 ZINC000580289863 566681643 /nfs/dbraw/zinc/68/16/43/566681643.db2.gz GYQAHJVCRONKKC-HNNXBMFYSA-N 2 0 376.492 3.117 20 0 GGADRP CSC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540986301 566685049 /nfs/dbraw/zinc/68/50/49/566685049.db2.gz DTSYUSWBNNEDSG-YOEHRIQHSA-N 2 0 375.504 3.335 20 0 GGADRP C[NH+](C)CCC1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000580504220 566697880 /nfs/dbraw/zinc/69/78/80/566697880.db2.gz MTXJEFVTXUQOJM-UHFFFAOYSA-N 2 0 392.345 3.194 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000580646596 566712588 /nfs/dbraw/zinc/71/25/88/566712588.db2.gz OBAMGVWUEGNACY-ARFHVFGLSA-N 2 0 394.357 3.406 20 0 GGADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000468706283 566721055 /nfs/dbraw/zinc/72/10/55/566721055.db2.gz JCOOSVMHACRADF-HZPDHXFCSA-N 2 0 396.373 3.212 20 0 GGADRP [NH3+]CCC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000580777969 566722947 /nfs/dbraw/zinc/72/29/47/566722947.db2.gz AZCIPHDQFBVGKX-UHFFFAOYSA-N 2 0 375.314 3.467 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000515650034 566725591 /nfs/dbraw/zinc/72/55/91/566725591.db2.gz HITHZEBKAMBDPB-ZDUSSCGKSA-N 2 0 376.298 3.415 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000468830574 566736175 /nfs/dbraw/zinc/73/61/75/566736175.db2.gz FLWADHZNHZBMCD-HNNXBMFYSA-N 2 0 379.961 3.445 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864021 566739037 /nfs/dbraw/zinc/73/90/37/566739037.db2.gz GMFJXONPECZMQM-ARFHVFGLSA-N 2 0 383.989 3.380 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000516209564 566752123 /nfs/dbraw/zinc/75/21/23/566752123.db2.gz BWGOIWNYBDJUCM-HNNXBMFYSA-N 2 0 386.353 3.136 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000516209565 566752551 /nfs/dbraw/zinc/75/25/51/566752551.db2.gz BWGOIWNYBDJUCM-OAHLLOKOSA-N 2 0 386.353 3.136 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654491 566757495 /nfs/dbraw/zinc/75/74/95/566757495.db2.gz PTUHNGNJZVXTKR-SCLBCKFNSA-N 2 0 396.348 3.334 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000581251703 566761854 /nfs/dbraw/zinc/76/18/54/566761854.db2.gz GEADLVIKOWKJMT-JCGIZDLHSA-N 2 0 387.325 3.465 20 0 GGADRP C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801617 566763381 /nfs/dbraw/zinc/76/33/81/566763381.db2.gz XOWAZFMFCSJKIY-SFHVURJKSA-N 2 0 384.337 3.189 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000581364941 566771723 /nfs/dbraw/zinc/77/17/23/566771723.db2.gz URZJNJLFKXJIGU-AEFFLSMTSA-N 2 0 399.373 3.291 20 0 GGADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000581416830 566774684 /nfs/dbraw/zinc/77/46/84/566774684.db2.gz LXTYDKLJNLUGIB-VIFPVBQESA-N 2 0 380.124 3.165 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000678598205 566806958 /nfs/dbraw/zinc/80/69/58/566806958.db2.gz DKALEBYMXJJMQQ-IPMKNSEASA-N 2 0 379.342 3.404 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000562625952 566807522 /nfs/dbraw/zinc/80/75/22/566807522.db2.gz WIOWGMMRJZXQJS-UHFFFAOYSA-N 2 0 391.741 3.060 20 0 GGADRP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000517247274 566815889 /nfs/dbraw/zinc/81/58/89/566815889.db2.gz IUVKYQAHQOBMGM-CPUCHLNUSA-N 2 0 380.330 3.112 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000469874315 566823571 /nfs/dbraw/zinc/82/35/71/566823571.db2.gz QCCLHHDHXVJHSC-DOPJRALCSA-N 2 0 375.314 3.112 20 0 GGADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469995333 566835411 /nfs/dbraw/zinc/83/54/11/566835411.db2.gz YYSPVVKBMXHLTB-AWEZNQCLSA-N 2 0 377.941 3.355 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000470004145 566837372 /nfs/dbraw/zinc/83/73/72/566837372.db2.gz WFVIKMLCIGUQEY-AWEZNQCLSA-N 2 0 385.346 3.424 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000562993274 566841652 /nfs/dbraw/zinc/84/16/52/566841652.db2.gz CNQWNNZTNWELKM-QGZVFWFLSA-N 2 0 385.346 3.043 20 0 GGADRP Cc1c2cccc(Br)c2oc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000543024917 566846637 /nfs/dbraw/zinc/84/66/37/566846637.db2.gz DWOPJUGKMBYXSS-UHFFFAOYSA-N 2 0 396.329 3.069 20 0 GGADRP C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000490397650 566847780 /nfs/dbraw/zinc/84/77/80/566847780.db2.gz IULWNEZUFTYRFG-HNNXBMFYSA-N 2 0 395.345 3.327 20 0 GGADRP CC(C)([NH3+])c1noc(CN2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000582301915 566848597 /nfs/dbraw/zinc/84/85/97/566848597.db2.gz FOQWNLMBJMMDJJ-UHFFFAOYSA-N 2 0 379.302 3.406 20 0 GGADRP Brc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000563135791 566858524 /nfs/dbraw/zinc/85/85/24/566858524.db2.gz UJZQXEQESCFHSS-CABCVRRESA-N 2 0 381.314 3.042 20 0 GGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000563155023 566860102 /nfs/dbraw/zinc/86/01/02/566860102.db2.gz XYCKYNRIRKXCLJ-SUNYJGFJSA-N 2 0 382.335 3.420 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000582602220 566879552 /nfs/dbraw/zinc/87/95/52/566879552.db2.gz QOTVWNHZOXYXNY-MAUKXSAKSA-N 2 0 386.989 3.196 20 0 GGADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3sccc3Br)CC2)CC1 ZINC000543521891 566886963 /nfs/dbraw/zinc/88/69/63/566886963.db2.gz STHVDPIIHRJNJX-UHFFFAOYSA-N 2 0 386.403 3.360 20 0 GGADRP CSC1(C[NH2+][C@@H](C)c2ncc(Br)cc2F)CC[NH+](C)CC1 ZINC000563526249 566890947 /nfs/dbraw/zinc/89/09/47/566890947.db2.gz PBOMPQBOTDYFLL-NSHDSACASA-N 2 0 376.339 3.461 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cncc(Br)c1 ZINC000518566015 566891989 /nfs/dbraw/zinc/89/19/89/566891989.db2.gz WLHJOUAYGYVIDD-AUUYWEPGSA-N 2 0 390.325 3.262 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000451900463 566905046 /nfs/dbraw/zinc/90/50/46/566905046.db2.gz ALXIRYTUYNLBFD-LJQANCHMSA-N 2 0 388.383 3.207 20 0 GGADRP CC1CC[NH+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000563774411 566917036 /nfs/dbraw/zinc/91/70/36/566917036.db2.gz UDLSXSFTQPPBMN-UHFFFAOYSA-N 2 0 382.346 3.489 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000470958585 566918669 /nfs/dbraw/zinc/91/86/69/566918669.db2.gz LAQCUGHINVUINY-INIZCTEOSA-N 2 0 394.357 3.441 20 0 GGADRP C(C[NH+]1CCC[C@@]2(CCSC2)C1)OCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986416 566918739 /nfs/dbraw/zinc/91/87/39/566918739.db2.gz XNUHOLVPIDHEHG-WOJBJXKFSA-N 2 0 384.655 3.441 20 0 GGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000583178965 566926591 /nfs/dbraw/zinc/92/65/91/566926591.db2.gz WHGCUJCJQRBJAS-RDTXWAMCSA-N 2 0 390.325 3.262 20 0 GGADRP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000583178962 566927033 /nfs/dbraw/zinc/92/70/33/566927033.db2.gz WHGCUJCJQRBJAS-KBXCAEBGSA-N 2 0 390.325 3.262 20 0 GGADRP O=S(=O)(CC[NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000583199030 566929189 /nfs/dbraw/zinc/92/91/89/566929189.db2.gz VKQPHNCBFXTCHW-QGZVFWFLSA-N 2 0 378.563 3.024 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381455 566937898 /nfs/dbraw/zinc/93/78/98/566937898.db2.gz KDGZMBXHJGHUFM-OKZBNKHCSA-N 2 0 394.357 3.079 20 0 GGADRP Cc1cc(N2CC[C@H]([NH2+][C@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940325 566941864 /nfs/dbraw/zinc/94/18/64/566941864.db2.gz RAGUGZRPADPUKB-KDOFPFPSSA-N 2 0 394.357 3.183 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564078547 566943810 /nfs/dbraw/zinc/94/38/10/566943810.db2.gz SSKXILIFPSBFAQ-GDBMZVCRSA-N 2 0 375.340 3.301 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000519551284 566946671 /nfs/dbraw/zinc/94/66/71/566946671.db2.gz VWASNDOHPFXGAJ-MJGOQNOKSA-N 2 0 390.325 3.326 20 0 GGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471623066 566965704 /nfs/dbraw/zinc/96/57/04/566965704.db2.gz ZXWQLXGYOUQLIB-LSDHHAIUSA-N 2 0 386.353 3.135 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000564329425 566965622 /nfs/dbraw/zinc/96/56/22/566965622.db2.gz GRAKBFILXRZJNI-KGLIPLIRSA-N 2 0 398.320 3.238 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000471623063 566965857 /nfs/dbraw/zinc/96/58/57/566965857.db2.gz ZXWQLXGYOUQLIB-CABCVRRESA-N 2 0 386.353 3.135 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000471608651 566966431 /nfs/dbraw/zinc/96/64/31/566966431.db2.gz DUSYKPGEYDSTOP-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494196272 566975737 /nfs/dbraw/zinc/97/57/37/566975737.db2.gz VMEIKVNTGKZFBP-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Br)s1 ZINC000472084056 567000138 /nfs/dbraw/zinc/00/01/38/567000138.db2.gz GZOUSAWBXNZARO-UHFFFAOYSA-N 2 0 390.391 3.165 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000564797852 567009868 /nfs/dbraw/zinc/00/98/68/567009868.db2.gz DHUCKNIADXKLBY-INIZCTEOSA-N 2 0 395.341 3.432 20 0 GGADRP CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281245 567014640 /nfs/dbraw/zinc/01/46/40/567014640.db2.gz ZEMHYXLIQKARAA-HNNXBMFYSA-N 2 0 388.339 3.365 20 0 GGADRP CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279334 567014698 /nfs/dbraw/zinc/01/46/98/567014698.db2.gz PVLUBLOJZXFKDB-HNNXBMFYSA-N 2 0 388.339 3.365 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000564892492 567018050 /nfs/dbraw/zinc/01/80/50/567018050.db2.gz YZTSKKVWVJCHLL-KBXCAEBGSA-N 2 0 382.346 3.004 20 0 GGADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430579268 567022866 /nfs/dbraw/zinc/02/28/66/567022866.db2.gz CAQGUHRVEMSCEF-KBPBESRZSA-N 2 0 388.293 3.119 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000564973365 567026009 /nfs/dbraw/zinc/02/60/09/567026009.db2.gz BYSPLXMBIVVODC-BDAKNGLRSA-N 2 0 380.124 3.436 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564988731 567027240 /nfs/dbraw/zinc/02/72/40/567027240.db2.gz OSFCSYXZFCNQJL-RBSFLKMASA-N 2 0 380.330 3.098 20 0 GGADRP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000564989599 567027904 /nfs/dbraw/zinc/02/79/04/567027904.db2.gz TXSUNQSHROUQDY-CABCVRRESA-N 2 0 380.330 3.018 20 0 GGADRP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000564989601 567028368 /nfs/dbraw/zinc/02/83/68/567028368.db2.gz TXSUNQSHROUQDY-HUUCEWRRSA-N 2 0 380.330 3.018 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000472483214 567028570 /nfs/dbraw/zinc/02/85/70/567028570.db2.gz HKIHGFLEUDCCDG-INIZCTEOSA-N 2 0 394.357 3.441 20 0 GGADRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000682085668 567030827 /nfs/dbraw/zinc/03/08/27/567030827.db2.gz KOCMEWWAGNGYSW-SFHVURJKSA-N 2 0 380.374 3.358 20 0 GGADRP Brc1cccc(-c2c[nH]c(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000430942433 567040903 /nfs/dbraw/zinc/04/09/03/567040903.db2.gz LUKWVUKANLDQPE-UHFFFAOYSA-N 2 0 375.314 3.415 20 0 GGADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000431031366 567049117 /nfs/dbraw/zinc/04/91/17/567049117.db2.gz YLLHLZJTHQXWJK-UHFFFAOYSA-N 2 0 375.822 3.373 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000565226380 567050080 /nfs/dbraw/zinc/05/00/80/567050080.db2.gz KMLLUIUDONTTIS-UHIISALHSA-N 2 0 381.236 3.361 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000565226378 567050550 /nfs/dbraw/zinc/05/05/50/567050550.db2.gz KMLLUIUDONTTIS-SUNKGSAMSA-N 2 0 381.236 3.361 20 0 GGADRP C[C@H](C[NH2+][C@H](Cc1ccccc1Br)C1CC1)CN1CC[NH+](C)CC1 ZINC000453112815 567054741 /nfs/dbraw/zinc/05/47/41/567054741.db2.gz TTZLRWWSWIAYMH-OXQOHEQNSA-N 2 0 394.401 3.243 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453106251 567054910 /nfs/dbraw/zinc/05/49/10/567054910.db2.gz YKIIIFQMEGEDGL-HXUWFJFHSA-N 2 0 394.401 3.387 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453131947 567056831 /nfs/dbraw/zinc/05/68/31/567056831.db2.gz MEGQHTZVVPFSPG-HXUWFJFHSA-N 2 0 394.401 3.386 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000584861406 567075633 /nfs/dbraw/zinc/07/56/33/567075633.db2.gz DYYTUQGRGVVMRA-HNNXBMFYSA-N 2 0 386.353 3.136 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000453345329 567077645 /nfs/dbraw/zinc/07/76/45/567077645.db2.gz FFJWOQRCWBNISJ-PGSNGQOISA-N 2 0 383.374 3.227 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000453345333 567078054 /nfs/dbraw/zinc/07/80/54/567078054.db2.gz FFJWOQRCWBNISJ-QMYADUOMSA-N 2 0 383.374 3.227 20 0 GGADRP CN1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000545859431 567080853 /nfs/dbraw/zinc/08/08/53/567080853.db2.gz CQLRRBAWBLWTDA-KRWDZBQOSA-N 2 0 381.339 3.334 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453380885 567083818 /nfs/dbraw/zinc/08/38/18/567083818.db2.gz RMYBQBLCJIBDSJ-RIVXBTQJSA-N 2 0 383.374 3.227 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627033 567084435 /nfs/dbraw/zinc/08/44/35/567084435.db2.gz SRAYMQVXAPRMEV-GJZGRUSLSA-N 2 0 382.346 3.486 20 0 GGADRP C[C@]([NH3+])(C(=O)NCCCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000565655298 567086150 /nfs/dbraw/zinc/08/61/50/567086150.db2.gz PLFOONVBQBUJID-LJQANCHMSA-N 2 0 396.373 3.395 20 0 GGADRP Cc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000453570035 567092977 /nfs/dbraw/zinc/09/29/77/567092977.db2.gz BYNQGVKFYBMRQY-UHFFFAOYSA-N 2 0 386.403 3.278 20 0 GGADRP Brc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2c1OCO2 ZINC000657812927 567098588 /nfs/dbraw/zinc/09/85/88/567098588.db2.gz XIOMHJZBYYBOAV-UHFFFAOYSA-N 2 0 381.314 3.389 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835789 567099913 /nfs/dbraw/zinc/09/99/13/567099913.db2.gz YKRGPIZQLDLZBV-SFHVURJKSA-N 2 0 382.390 3.386 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835786 567100831 /nfs/dbraw/zinc/10/08/31/567100831.db2.gz YKRGPIZQLDLZBV-GOSISDBHSA-N 2 0 382.390 3.386 20 0 GGADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657872673 567102037 /nfs/dbraw/zinc/10/20/37/567102037.db2.gz OUQKLYJAIALQJL-APWZRJJASA-N 2 0 382.390 3.242 20 0 GGADRP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cnc12 ZINC000566010060 567118309 /nfs/dbraw/zinc/11/83/09/567118309.db2.gz VUQMVQLNYRKYDI-HUUCEWRRSA-N 2 0 377.330 3.227 20 0 GGADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000566230625 567140303 /nfs/dbraw/zinc/14/03/03/567140303.db2.gz SVPTUPZEBBKDMF-KRWDZBQOSA-N 2 0 384.362 3.091 20 0 GGADRP COc1ccc([C@@H]([NH2+]CCOCC[NH3+])c2ccccc2)cc1Br ZINC000566244207 567141786 /nfs/dbraw/zinc/14/17/86/567141786.db2.gz DWAFIMIFTXQHEM-SFHVURJKSA-N 2 0 379.298 3.112 20 0 GGADRP COc1ccc([C@H]([NH2+]CCOCC[NH3+])c2ccccc2)cc1Br ZINC000566244198 567142031 /nfs/dbraw/zinc/14/20/31/567142031.db2.gz DWAFIMIFTXQHEM-GOSISDBHSA-N 2 0 379.298 3.112 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000566245159 567142788 /nfs/dbraw/zinc/14/27/88/567142788.db2.gz JIKUAIOQOUZOME-LSDHHAIUSA-N 2 0 380.330 3.099 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cc(F)c2F)CC1 ZINC000566303407 567147056 /nfs/dbraw/zinc/14/70/56/567147056.db2.gz GUYYLHQEXNBKAE-UHFFFAOYSA-N 2 0 390.316 3.233 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CC2 ZINC000683814737 567155230 /nfs/dbraw/zinc/15/52/30/567155230.db2.gz QOYQZKTVVCLSSM-QGZVFWFLSA-N 2 0 380.374 3.360 20 0 GGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432426293 567159393 /nfs/dbraw/zinc/15/93/93/567159393.db2.gz PZAGSWWGHVELCY-KVZIAJEVSA-N 2 0 381.358 3.378 20 0 GGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546932655 567172262 /nfs/dbraw/zinc/17/22/62/567172262.db2.gz XMPGCCCAXSSLQE-WMLDXEAASA-N 2 0 379.346 3.268 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000566749248 567187218 /nfs/dbraw/zinc/18/72/18/567187218.db2.gz RCNKLTIWVUEXLA-AWEZNQCLSA-N 2 0 380.330 3.311 20 0 GGADRP C[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000474723862 567194397 /nfs/dbraw/zinc/19/43/97/567194397.db2.gz HDOKRSPJKDMLLJ-GFCCVEGCSA-N 2 0 394.279 3.193 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850550 567196628 /nfs/dbraw/zinc/19/66/28/567196628.db2.gz HCEIYWVBBGWZGX-HNNXBMFYSA-N 2 0 382.346 3.488 20 0 GGADRP CN[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300272 567202276 /nfs/dbraw/zinc/20/22/76/567202276.db2.gz OPZAVJFGKCXPBB-RHSMWYFYSA-N 2 0 382.291 3.079 20 0 GGADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474948378 567212759 /nfs/dbraw/zinc/21/27/59/567212759.db2.gz XNEOOHMJSCMGCD-UHFFFAOYSA-N 2 0 394.247 3.391 20 0 GGADRP C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524627729 567206236 /nfs/dbraw/zinc/20/62/36/567206236.db2.gz DPTHSNDYCXULNB-CQSZACIVSA-N 2 0 389.371 3.059 20 0 GGADRP CC(C)Oc1cc(Br)cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433113108 567223416 /nfs/dbraw/zinc/22/34/16/567223416.db2.gz CZKMMXZBKSLMHC-UHFFFAOYSA-N 2 0 398.345 3.378 20 0 GGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccc(Br)cc1 ZINC000567160391 567223516 /nfs/dbraw/zinc/22/35/16/567223516.db2.gz FPSRETZJXOAYRH-SFHVURJKSA-N 2 0 397.357 3.185 20 0 GGADRP CC(C)(Cc1ccc(Br)cc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116340 567223704 /nfs/dbraw/zinc/22/37/04/567223704.db2.gz KRNHFPXKRVUUGC-UHFFFAOYSA-N 2 0 396.373 3.090 20 0 GGADRP CC(C)N(Cc1cccc(Br)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433151590 567226786 /nfs/dbraw/zinc/22/67/86/567226786.db2.gz ITJPXOAPMPPPJY-UHFFFAOYSA-N 2 0 396.373 3.389 20 0 GGADRP Cc1nc(C)c(-c2csc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)n2)s1 ZINC000433149749 567226875 /nfs/dbraw/zinc/22/68/75/567226875.db2.gz FBNLDLOZAJTHIF-UHFFFAOYSA-N 2 0 379.555 3.025 20 0 GGADRP CCN(Cc1cccc(Br)c1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433152283 567227102 /nfs/dbraw/zinc/22/71/02/567227102.db2.gz LEIHKFKZGJQQJH-UHFFFAOYSA-N 2 0 382.346 3.001 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638369391 567246237 /nfs/dbraw/zinc/24/62/37/567246237.db2.gz GRMLKVMZTLVUDY-UHFFFAOYSA-N 2 0 380.334 3.094 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000567502450 567252642 /nfs/dbraw/zinc/25/26/42/567252642.db2.gz PIOJVCPQJACORI-XJKSGUPXSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000567502449 567253445 /nfs/dbraw/zinc/25/34/45/567253445.db2.gz PIOJVCPQJACORI-CZUORRHYSA-N 2 0 384.351 3.492 20 0 GGADRP Brc1cnc2c(C[NH2+]CCCCC[NH+]3CCCCC3)cnn2c1 ZINC000638527956 567254371 /nfs/dbraw/zinc/25/43/71/567254371.db2.gz QIUUREZVEWPWNE-UHFFFAOYSA-N 2 0 380.334 3.238 20 0 GGADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081103 567258516 /nfs/dbraw/zinc/25/85/16/567258516.db2.gz CVRQZSIMDACJLG-LRDDRELGSA-N 2 0 393.329 3.170 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681646 567267240 /nfs/dbraw/zinc/26/72/40/567267240.db2.gz XWIXNWSGYYWQSJ-GDBMZVCRSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567681286 567267367 /nfs/dbraw/zinc/26/73/67/567267367.db2.gz OPINLZHKRFSHHT-INIZCTEOSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638780244 567269767 /nfs/dbraw/zinc/26/97/67/567269767.db2.gz OJSSUNDYBVXHCC-CYBMUJFWSA-N 2 0 387.337 3.344 20 0 GGADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638809822 567271068 /nfs/dbraw/zinc/27/10/68/567271068.db2.gz ZFHXVOKTQKGLQD-CYBMUJFWSA-N 2 0 387.337 3.344 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000567748890 567273942 /nfs/dbraw/zinc/27/39/42/567273942.db2.gz NAPAITWYOMSECF-IBGZPJMESA-N 2 0 390.325 3.001 20 0 GGADRP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638852928 567274683 /nfs/dbraw/zinc/27/46/83/567274683.db2.gz OMOGOYQXFHJAKW-KBXCAEBGSA-N 2 0 399.373 3.350 20 0 GGADRP COc1ccc(Br)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000685457675 567275256 /nfs/dbraw/zinc/27/52/56/567275256.db2.gz IYITXNMUYKEADS-KRWDZBQOSA-N 2 0 396.373 3.058 20 0 GGADRP C[C@@H]1C[C@@H]1C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000685469245 567277604 /nfs/dbraw/zinc/27/76/04/567277604.db2.gz UBQVVNFLLKIONF-NVXWUHKLSA-N 2 0 398.364 3.294 20 0 GGADRP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000638971822 567280980 /nfs/dbraw/zinc/28/09/80/567280980.db2.gz BDDQKXGYBOUAEB-KRWDZBQOSA-N 2 0 380.319 3.432 20 0 GGADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000639053022 567284836 /nfs/dbraw/zinc/28/48/36/567284836.db2.gz FIYKMHPYOIFTFA-UHFFFAOYSA-N 2 0 380.330 3.255 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000591570395 567285971 /nfs/dbraw/zinc/28/59/71/567285971.db2.gz RMKINXVGPNQGDQ-HNNXBMFYSA-N 2 0 397.357 3.293 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895559 567287848 /nfs/dbraw/zinc/28/78/48/567287848.db2.gz NUTLUCOOZKPXOL-LSDHHAIUSA-N 2 0 395.341 3.432 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895557 567287923 /nfs/dbraw/zinc/28/79/23/567287923.db2.gz NUTLUCOOZKPXOL-GJZGRUSLSA-N 2 0 395.341 3.432 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895558 567288874 /nfs/dbraw/zinc/28/88/74/567288874.db2.gz NUTLUCOOZKPXOL-HUUCEWRRSA-N 2 0 395.341 3.432 20 0 GGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000639189527 567295287 /nfs/dbraw/zinc/29/52/87/567295287.db2.gz PNFLZFZCVFFDJF-UHFFFAOYSA-N 2 0 394.357 3.298 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)sc1Cl ZINC000500062339 567296381 /nfs/dbraw/zinc/29/63/81/567296381.db2.gz SSZMQFAUFCYFDX-UHFFFAOYSA-N 2 0 399.347 3.392 20 0 GGADRP C[N@@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865696 567302036 /nfs/dbraw/zinc/30/20/36/567302036.db2.gz LYXHBVMUVWAHST-MRXNPFEDSA-N 2 0 384.351 3.370 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000527283448 567326791 /nfs/dbraw/zinc/32/67/91/567326791.db2.gz DRTZSTSAWTVPNT-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513196 567334646 /nfs/dbraw/zinc/33/46/46/567334646.db2.gz KHHIILHWDAJEEX-CYBMUJFWSA-N 2 0 386.323 3.009 20 0 GGADRP Clc1cc(I)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592471014 567341118 /nfs/dbraw/zinc/34/11/18/567341118.db2.gz RUPHVSSCRHSBIR-TYNCELHUSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000592471058 567341208 /nfs/dbraw/zinc/34/12/08/567341208.db2.gz WCTOKOCZFROSEJ-YNEHKIRRSA-N 2 0 390.696 3.422 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749486 567353714 /nfs/dbraw/zinc/35/37/14/567353714.db2.gz YGGZMGCVDCSBBG-XWIAVFTESA-N 2 0 375.314 3.436 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749482 567353890 /nfs/dbraw/zinc/35/38/90/567353890.db2.gz YGGZMGCVDCSBBG-FSPWUOQZSA-N 2 0 375.314 3.436 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)N1CC[NH+](C)CC1 ZINC000527636357 567354385 /nfs/dbraw/zinc/35/43/85/567354385.db2.gz MYMMRTIZJIUFAT-OAHLLOKOSA-N 2 0 390.316 3.089 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435377936 567358210 /nfs/dbraw/zinc/35/82/10/567358210.db2.gz BHZDBUYBKXHPEO-IUODEOHRSA-N 2 0 377.330 3.421 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527859696 567380076 /nfs/dbraw/zinc/38/00/76/567380076.db2.gz RPHIFTSNXPKWCA-NWDGAFQWSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527859257 567380167 /nfs/dbraw/zinc/38/01/67/567380167.db2.gz OVPCPLHZJRLNAY-NEPJUHHUSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000527860834 567380302 /nfs/dbraw/zinc/38/03/02/567380302.db2.gz YMOHENNWQJHFLY-STQMWFEESA-N 2 0 390.316 3.261 20 0 GGADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527859573 567380439 /nfs/dbraw/zinc/38/04/39/567380439.db2.gz QBJKGXSOWRDGRY-CYBMUJFWSA-N 2 0 390.316 3.406 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000527860831 567380475 /nfs/dbraw/zinc/38/04/75/567380475.db2.gz YMOHENNWQJHFLY-OLZOCXBDSA-N 2 0 390.316 3.261 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527859259 567380580 /nfs/dbraw/zinc/38/05/80/567380580.db2.gz OVPCPLHZJRLNAY-RYUDHWBXSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)N1CC[NH+](C)CC1 ZINC000527859695 567380696 /nfs/dbraw/zinc/38/06/96/567380696.db2.gz RPHIFTSNXPKWCA-NEPJUHHUSA-N 2 0 376.289 3.014 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cscc1Cl ZINC000640783290 567395403 /nfs/dbraw/zinc/39/54/03/567395403.db2.gz HOQDLDUEHPABHD-UHFFFAOYSA-N 2 0 379.917 3.130 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000662263748 567422298 /nfs/dbraw/zinc/42/22/98/567422298.db2.gz DSNZEOXRMNVBMH-CRAIPNDOSA-N 2 0 381.973 3.012 20 0 GGADRP CCCCCOc1ccc(Br)cc1CNC1(CO)CC[NH2+]CC1 ZINC000662286999 567423544 /nfs/dbraw/zinc/42/35/44/567423544.db2.gz PCDSPFRDMYYRBT-UHFFFAOYSA-N 2 0 385.346 3.222 20 0 GGADRP Cc1ccc(NC(=O)CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(Br)c1 ZINC000662290082 567424538 /nfs/dbraw/zinc/42/45/38/567424538.db2.gz ILXARHSYCVZXOK-INIZCTEOSA-N 2 0 394.357 3.408 20 0 GGADRP Cc1ccc(NC(=O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Br)c1 ZINC000662290083 567424785 /nfs/dbraw/zinc/42/47/85/567424785.db2.gz ILXARHSYCVZXOK-MRXNPFEDSA-N 2 0 394.357 3.408 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1cccc(Br)c1 ZINC000662292446 567426279 /nfs/dbraw/zinc/42/62/79/567426279.db2.gz MYZQUKOJUFTJFG-INIZCTEOSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662426157 567434780 /nfs/dbraw/zinc/43/47/80/567434780.db2.gz UBLCTIQTMALSHW-UHFFFAOYSA-N 2 0 375.563 3.097 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1Cl ZINC000662466574 567439549 /nfs/dbraw/zinc/43/95/49/567439549.db2.gz UCKJZCYJRKLMKS-UHFFFAOYSA-N 2 0 379.913 3.240 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000569924146 567443732 /nfs/dbraw/zinc/44/37/32/567443732.db2.gz RVHGIFVCJOLWCM-BEFAXECRSA-N 2 0 384.351 3.273 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000570037147 567454141 /nfs/dbraw/zinc/45/41/41/567454141.db2.gz OPRACTDWSJYHTB-FUHWJXTLSA-N 2 0 399.373 3.433 20 0 GGADRP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000662667676 567456354 /nfs/dbraw/zinc/45/63/54/567456354.db2.gz CIVLOFKBFMQORY-APWZRJJASA-N 2 0 394.357 3.146 20 0 GGADRP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000570152183 567461342 /nfs/dbraw/zinc/46/13/42/567461342.db2.gz NYQGRLNXVLRGHU-GFCCVEGCSA-N 2 0 394.279 3.193 20 0 GGADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000457449384 567466113 /nfs/dbraw/zinc/46/61/13/567466113.db2.gz IMNOAJCROLQZQC-INIZCTEOSA-N 2 0 380.583 3.186 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000551029790 567474480 /nfs/dbraw/zinc/47/44/80/567474480.db2.gz RYPCZQNFZSDNCB-HNNXBMFYSA-N 2 0 386.403 3.361 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000570570039 567496545 /nfs/dbraw/zinc/49/65/45/567496545.db2.gz KCPVONNMZSJTPY-BDAKNGLRSA-N 2 0 380.124 3.436 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000570570042 567496618 /nfs/dbraw/zinc/49/66/18/567496618.db2.gz KCPVONNMZSJTPY-RKDXNWHRSA-N 2 0 380.124 3.436 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479061472 567499849 /nfs/dbraw/zinc/49/98/49/567499849.db2.gz NTLUCUHDBMJBTB-QAPCUYQASA-N 2 0 394.357 3.004 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000479073528 567501097 /nfs/dbraw/zinc/50/10/97/567501097.db2.gz XOQHFIDZPFZWDQ-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663374129 567502193 /nfs/dbraw/zinc/50/21/93/567502193.db2.gz FJPROYZAPWIKPJ-INIZCTEOSA-N 2 0 387.351 3.445 20 0 GGADRP Cc1c(Br)cccc1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000479082022 567502684 /nfs/dbraw/zinc/50/26/84/567502684.db2.gz RYHPQSCWIJFZHY-UHFFFAOYSA-N 2 0 398.389 3.032 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663440355 567508620 /nfs/dbraw/zinc/50/86/20/567508620.db2.gz DOARGXISHFKTAQ-HNNXBMFYSA-N 2 0 385.371 3.422 20 0 GGADRP CCOc1c(Br)cc(CN[C@@H](C)C[NH2+]C)cc1Br ZINC000663507197 567511778 /nfs/dbraw/zinc/51/17/78/567511778.db2.gz LKJWMVIDBBMURC-VIFPVBQESA-N 2 0 380.124 3.308 20 0 GGADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000551584723 567520974 /nfs/dbraw/zinc/52/09/74/567520974.db2.gz MUGMBCTZNWICGT-UHFFFAOYSA-N 2 0 381.314 3.200 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479333306 567524890 /nfs/dbraw/zinc/52/48/90/567524890.db2.gz WNYUUUZUADLOSD-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479357248 567528095 /nfs/dbraw/zinc/52/80/95/567528095.db2.gz XVUXTOSIXGCTHG-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)N1CC[NH+](C)CC1 ZINC000571010295 567529970 /nfs/dbraw/zinc/52/99/70/567529970.db2.gz YXJKIZWCBKGQAQ-LJQANCHMSA-N 2 0 387.399 3.421 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479451594 567536564 /nfs/dbraw/zinc/53/65/64/567536564.db2.gz KIUKZZWUODZYNY-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000571277365 567550577 /nfs/dbraw/zinc/55/05/77/567550577.db2.gz SYDPMQZUFPJAPF-UHFFFAOYSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000571275866 567550966 /nfs/dbraw/zinc/55/09/66/567550966.db2.gz WHWBTTKEYZYJNW-AGRHKRQWSA-N 2 0 393.325 3.323 20 0 GGADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000644522513 567555632 /nfs/dbraw/zinc/55/56/32/567555632.db2.gz LBWAWRPCYKTWNL-SFHVURJKSA-N 2 0 399.373 3.291 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532071 567556756 /nfs/dbraw/zinc/55/67/56/567556756.db2.gz YTJVTNUMHHBKMZ-LSDHHAIUSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000571558708 567571996 /nfs/dbraw/zinc/57/19/96/567571996.db2.gz JRMHEDLAJIFHQU-CQSZACIVSA-N 2 0 387.337 3.344 20 0 GGADRP C[C@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)CN1CC[NH+](C)CC1 ZINC000571581197 567573797 /nfs/dbraw/zinc/57/37/97/567573797.db2.gz AKOBMSGYUKWCAY-CQSZACIVSA-N 2 0 380.330 3.168 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000571612739 567576909 /nfs/dbraw/zinc/57/69/09/567576909.db2.gz QCDGWZKQIOPFAR-UHFFFAOYSA-N 2 0 396.373 3.107 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724417 567594391 /nfs/dbraw/zinc/59/43/91/567594391.db2.gz CCMJTZDSLPGCDK-MRXNPFEDSA-N 2 0 386.367 3.410 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724416 567594454 /nfs/dbraw/zinc/59/44/54/567594454.db2.gz CCMJTZDSLPGCDK-INIZCTEOSA-N 2 0 386.367 3.410 20 0 GGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000571960659 567601964 /nfs/dbraw/zinc/60/19/64/567601964.db2.gz PXOALVGAABHWNC-CQSZACIVSA-N 2 0 381.314 3.342 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572159516 567618441 /nfs/dbraw/zinc/61/84/41/567618441.db2.gz PYZVCBVYVAWJDO-HIFRSBDPSA-N 2 0 380.330 3.098 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572159518 567618878 /nfs/dbraw/zinc/61/88/78/567618878.db2.gz PYZVCBVYVAWJDO-ZFWWWQNUSA-N 2 0 380.330 3.098 20 0 GGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459404778 567622793 /nfs/dbraw/zinc/62/27/93/567622793.db2.gz JKGXFSJTTVBHKT-UHFFFAOYSA-N 2 0 393.325 3.427 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000572454900 567640812 /nfs/dbraw/zinc/64/08/12/567640812.db2.gz KOWCMNNGDRSLQR-UHFFFAOYSA-N 2 0 394.247 3.391 20 0 GGADRP C[NH+](C)CC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506907210 567648525 /nfs/dbraw/zinc/64/85/25/567648525.db2.gz FVLLGPXMUIRNOS-UHFFFAOYSA-N 2 0 377.330 3.408 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000459693287 567652190 /nfs/dbraw/zinc/65/21/90/567652190.db2.gz HVASUNKVDTVEFP-SIIHOXLZSA-N 2 0 387.337 3.059 20 0 GGADRP CC(C)[NH2+]CCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000572599534 567652388 /nfs/dbraw/zinc/65/23/88/567652388.db2.gz AMFUWIIOTQAFDX-UHFFFAOYSA-N 2 0 393.329 3.063 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459713776 567653458 /nfs/dbraw/zinc/65/34/58/567653458.db2.gz XCYJKBAYIPFXDN-HNNXBMFYSA-N 2 0 387.337 3.202 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459777237 567657894 /nfs/dbraw/zinc/65/78/94/567657894.db2.gz KIVPULNNHNFDLD-HUUCEWRRSA-N 2 0 382.346 3.488 20 0 GGADRP CSc1cc(Br)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441343733 567662948 /nfs/dbraw/zinc/66/29/48/567662948.db2.gz GWMOFNFTTOBLPV-UHFFFAOYSA-N 2 0 386.403 3.287 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000531609936 567668887 /nfs/dbraw/zinc/66/88/87/567668887.db2.gz UGPQBYBWCOIENI-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572965456 567678172 /nfs/dbraw/zinc/67/81/72/567678172.db2.gz PMVSESBCSMSFDQ-FFZOFVMBSA-N 2 0 393.369 3.274 20 0 GGADRP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000573317946 567705032 /nfs/dbraw/zinc/70/50/32/567705032.db2.gz LXRLFACNBOMASK-LJQANCHMSA-N 2 0 380.374 3.358 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666855483 567708009 /nfs/dbraw/zinc/70/80/09/567708009.db2.gz VBSGSEPSDQSSMK-LLVKDONJSA-N 2 0 392.135 3.452 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000666857660 567708167 /nfs/dbraw/zinc/70/81/67/567708167.db2.gz DAUYYYWDIKOZNA-MRXNPFEDSA-N 2 0 394.357 3.094 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1(C)C ZINC000442872542 567713556 /nfs/dbraw/zinc/71/35/56/567713556.db2.gz JRZNMYMEUDFZFG-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000442878635 567713894 /nfs/dbraw/zinc/71/38/94/567713894.db2.gz UEWUTVGAOOAYMZ-QGZVFWFLSA-N 2 0 380.374 3.360 20 0 GGADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(Br)c1OC(F)F ZINC000666952263 567714657 /nfs/dbraw/zinc/71/46/57/567714657.db2.gz NEHPOKZVJKISDA-ZDUSSCGKSA-N 2 0 391.256 3.291 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442919013 567716795 /nfs/dbraw/zinc/71/67/95/567716795.db2.gz DNLXHQVYZQZPBG-OAHLLOKOSA-N 2 0 385.346 3.425 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995135 567717385 /nfs/dbraw/zinc/71/73/85/567717385.db2.gz DRJJDSOQHIUCGO-CZUORRHYSA-N 2 0 380.330 3.431 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995136 567717719 /nfs/dbraw/zinc/71/77/19/567717719.db2.gz DRJJDSOQHIUCGO-XJKSGUPXSA-N 2 0 380.330 3.431 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000532474132 567718937 /nfs/dbraw/zinc/71/89/37/567718937.db2.gz UKSXNGUMCQBSCC-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP COc1ccc(Br)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000532672635 567727364 /nfs/dbraw/zinc/72/73/64/567727364.db2.gz OMLMQAVZDQKPHR-GJZGRUSLSA-N 2 0 385.346 3.437 20 0 GGADRP O[C@@H]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000623759453 567736518 /nfs/dbraw/zinc/73/65/18/567736518.db2.gz MSGNUBCOQLQJPF-QGZVFWFLSA-N 2 0 375.310 3.272 20 0 GGADRP O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000573906595 567743657 /nfs/dbraw/zinc/74/36/57/567743657.db2.gz FUYZYNRZULFGTC-IRXDYDNUSA-N 2 0 380.330 3.384 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000554718567 567743774 /nfs/dbraw/zinc/74/37/74/567743774.db2.gz WTOIIVMCLOQMJM-CZUORRHYSA-N 2 0 375.326 3.466 20 0 GGADRP O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000573906594 567743801 /nfs/dbraw/zinc/74/38/01/567743801.db2.gz FUYZYNRZULFGTC-IAGOWNOFSA-N 2 0 380.330 3.384 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000555226292 567775157 /nfs/dbraw/zinc/77/51/57/567775157.db2.gz BQEWNVSBYGSDQA-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(Br)cc1 ZINC000555665717 567794588 /nfs/dbraw/zinc/79/45/88/567794588.db2.gz CACSPZGHLDROEO-QGZVFWFLSA-N 2 0 381.358 3.064 20 0 GGADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)c(F)c1 ZINC000574803847 567798270 /nfs/dbraw/zinc/79/82/70/567798270.db2.gz SIBUHZVPGUCPHQ-JTQLQIEISA-N 2 0 382.281 3.024 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cncc(Br)c1C ZINC000668159867 567798983 /nfs/dbraw/zinc/79/89/83/567798983.db2.gz JJAUCDJIBIGHCB-KRWDZBQOSA-N 2 0 383.378 3.000 20 0 GGADRP Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647790290 567800709 /nfs/dbraw/zinc/80/07/09/567800709.db2.gz VQSBFLRRISPGTL-MUQADHOPSA-N 2 0 378.358 3.253 20 0 GGADRP Brc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647790062 567800733 /nfs/dbraw/zinc/80/07/33/567800733.db2.gz QQAWRRPBIBGRAP-SQGPQFPESA-N 2 0 392.385 3.391 20 0 GGADRP Brc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647790059 567801013 /nfs/dbraw/zinc/80/10/13/567801013.db2.gz QQAWRRPBIBGRAP-ABSDTBQOSA-N 2 0 392.385 3.391 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791705 567801658 /nfs/dbraw/zinc/80/16/58/567801658.db2.gz KSGCPOXTPRYQNO-IJEWVQPXSA-N 2 0 380.330 3.064 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000647795201 567801682 /nfs/dbraw/zinc/80/16/82/567801682.db2.gz JYWPPGIWZDGGHH-TZDHZFECSA-N 2 0 382.335 3.467 20 0 GGADRP Brc1ccc(-n2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC000647794683 567801707 /nfs/dbraw/zinc/80/17/07/567801707.db2.gz AQWAUWVLXTXQPM-ZMSDIMECSA-N 2 0 375.314 3.113 20 0 GGADRP Brc1ccc(-n2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000647794681 567801914 /nfs/dbraw/zinc/80/19/14/567801914.db2.gz AQWAUWVLXTXQPM-HLLBOEOZSA-N 2 0 375.314 3.113 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1OCCCO ZINC000647798011 567802264 /nfs/dbraw/zinc/80/22/64/567802264.db2.gz JXZYSVRPWZTZPK-LJIGWXMPSA-N 2 0 397.357 3.249 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1OCCCO ZINC000647798013 567802391 /nfs/dbraw/zinc/80/23/91/567802391.db2.gz JXZYSVRPWZTZPK-QSJFSLAZSA-N 2 0 397.357 3.249 20 0 GGADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000574972463 567806530 /nfs/dbraw/zinc/80/65/30/567806530.db2.gz GGZIVDCXUMLRLG-GYABFAJESA-N 2 0 375.314 3.445 20 0 GGADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647975224 567808866 /nfs/dbraw/zinc/80/88/66/567808866.db2.gz RFHBYCGQIMLKBX-GJZGRUSLSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647976956 567809084 /nfs/dbraw/zinc/80/90/84/567809084.db2.gz WHJXSZFLNQTCSF-HZPDHXFCSA-N 2 0 394.357 3.489 20 0 GGADRP COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(Br)cc1O ZINC000648077979 567813227 /nfs/dbraw/zinc/81/32/27/567813227.db2.gz UIGAPRDIUJDFMI-UHFFFAOYSA-N 2 0 392.297 3.317 20 0 GGADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1-c1nn[nH]n1 ZINC000821818211 599404548 /nfs/dbraw/zinc/40/45/48/599404548.db2.gz LEBNZUAGBPFAFP-UHFFFAOYSA-N 2 0 380.496 3.005 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612635 605218914 /nfs/dbraw/zinc/21/89/14/605218914.db2.gz AXKUEXHCWBAVGI-LJQANCHMSA-N 2 0 387.568 3.337 20 0 GGADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CC1 ZINC000833615878 605221313 /nfs/dbraw/zinc/22/13/13/605221313.db2.gz LSESPVWQFMKFIU-UHFFFAOYSA-N 2 0 387.568 3.337 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820704319 606914861 /nfs/dbraw/zinc/91/48/61/606914861.db2.gz NNVCTDBYKJKSTB-INIZCTEOSA-N 2 0 386.519 3.482 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000820703743 606914877 /nfs/dbraw/zinc/91/48/77/606914877.db2.gz JYFOSKWZCQGEHG-MRXNPFEDSA-N 2 0 386.519 3.482 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820704321 606915178 /nfs/dbraw/zinc/91/51/78/606915178.db2.gz NNVCTDBYKJKSTB-MRXNPFEDSA-N 2 0 386.519 3.482 20 0 GGADRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412662 607012502 /nfs/dbraw/zinc/01/25/02/607012502.db2.gz MJDNFAGWMAPBPV-HOTGVXAUSA-N 2 0 380.496 3.219 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821614427 607062799 /nfs/dbraw/zinc/06/27/99/607062799.db2.gz FRKFBBLNQWFOIO-UHFFFAOYSA-N 2 0 394.498 3.350 20 0 GGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825419658 608211830 /nfs/dbraw/zinc/21/18/30/608211830.db2.gz QLRWTSSPUUJZFF-UHFFFAOYSA-N 2 0 386.519 3.340 20 0 GGADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)CC1CC1 ZINC000825419002 608212014 /nfs/dbraw/zinc/21/20/14/608212014.db2.gz CPZFDWVEPWLRHX-UHFFFAOYSA-N 2 0 386.519 3.340 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824616903 609141453 /nfs/dbraw/zinc/14/14/53/609141453.db2.gz AVDUNGQSIGOIKQ-HNNXBMFYSA-N 2 0 398.486 3.187 20 0 GGADRP C[NH+](C)Cc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825870541 609176201 /nfs/dbraw/zinc/17/62/01/609176201.db2.gz QOPHGXDLESLNDO-UHFFFAOYSA-N 2 0 391.523 3.005 20 0 GGADRP C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000824537658 609248143 /nfs/dbraw/zinc/24/81/43/609248143.db2.gz FLOLBHXOESQZAV-INIZCTEOSA-N 2 0 392.507 3.147 20 0 GGADRP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)CC1CC1 ZINC000053184396 1406318716 /nfs/dbraw/zinc/31/87/16/1406318716.db2.gz JPGPISOXKUQNPK-UHFFFAOYSA-N 2 0 392.547 3.289 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000053963040 1406571304 /nfs/dbraw/zinc/57/13/04/1406571304.db2.gz FSDICYPSUOXCGT-UHFFFAOYSA-N 2 0 380.602 3.474 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000054042804 1406601573 /nfs/dbraw/zinc/60/15/73/1406601573.db2.gz OAJFMZUYXNGGQB-JOCHJYFZSA-N 2 0 398.526 3.392 20 0 GGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054044787 1406602972 /nfs/dbraw/zinc/60/29/72/1406602972.db2.gz CFJVKDXVPHAQGO-QHCPKHFHSA-N 2 0 392.547 3.225 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000054511628 1406757303 /nfs/dbraw/zinc/75/73/03/1406757303.db2.gz FDVKPBHNBSJPIA-FQEVSTJZSA-N 2 0 386.584 3.450 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)Cc1ccccc1 ZINC000054762628 1406820843 /nfs/dbraw/zinc/82/08/43/1406820843.db2.gz IUBSOAMQGXWZPI-LJQANCHMSA-N 2 0 386.565 3.316 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000028887687 1400207551 /nfs/dbraw/zinc/20/75/51/1400207551.db2.gz MCLGGNVICDPHJY-QGZVFWFLSA-N 2 0 388.556 3.165 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000056156197 1407232623 /nfs/dbraw/zinc/23/26/23/1407232623.db2.gz POZDMRIDZPBEAF-IRXDYDNUSA-N 2 0 388.556 3.163 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000056184854 1407245338 /nfs/dbraw/zinc/24/53/38/1407245338.db2.gz UZLNNMHNRNDQPY-QGZVFWFLSA-N 2 0 388.556 3.165 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000056342121 1407304611 /nfs/dbraw/zinc/30/46/11/1407304611.db2.gz SXHBRKIYRMJUOV-QFIPXVFZSA-N 2 0 398.526 3.392 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC000056341981 1407304998 /nfs/dbraw/zinc/30/49/98/1407304998.db2.gz XERAYVPNFZKTON-PMACEKPBSA-N 2 0 390.478 3.170 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000042910923 1403672546 /nfs/dbraw/zinc/67/25/46/1403672546.db2.gz FMWURNAKJQEFDG-INIZCTEOSA-N 2 0 378.586 3.493 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929611 1403674763 /nfs/dbraw/zinc/67/47/63/1403674763.db2.gz OYABFHVKNCKBPI-WOJBJXKFSA-N 2 0 386.584 3.318 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929607 1403675004 /nfs/dbraw/zinc/67/50/04/1403675004.db2.gz OYABFHVKNCKBPI-BGYRXZFFSA-N 2 0 386.584 3.318 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[NH+]2CCCC2)cc1 ZINC000043110981 1403710210 /nfs/dbraw/zinc/71/02/10/1403710210.db2.gz KFTRDXAPTVKHQS-OAQYLSRUSA-N 2 0 390.572 3.061 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043135864 1403713581 /nfs/dbraw/zinc/71/35/81/1403713581.db2.gz FRKDQIMNPMGXPU-FQEVSTJZSA-N 2 0 388.556 3.467 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000043167315 1403723354 /nfs/dbraw/zinc/72/33/54/1403723354.db2.gz VLEGFMJZVHTVAN-OALUTQOASA-N 2 0 376.545 3.228 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000043167324 1403723583 /nfs/dbraw/zinc/72/35/83/1403723583.db2.gz FAEOBWNZRWUXKB-AQNXPRMDSA-N 2 0 390.572 3.474 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000043167322 1403723988 /nfs/dbraw/zinc/72/39/88/1403723988.db2.gz FAEOBWNZRWUXKB-ZCNNSNEGSA-N 2 0 390.572 3.474 20 0 GGADRP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000043293173 1403742155 /nfs/dbraw/zinc/74/21/55/1403742155.db2.gz XNTMLLSEJPZLAU-UHFFFAOYSA-N 2 0 380.536 3.151 20 0 GGADRP C[NH+](C)CCNC(=S)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000043588922 1403788560 /nfs/dbraw/zinc/78/85/60/1403788560.db2.gz DLJHFZUPRDFLFJ-UHFFFAOYSA-N 2 0 396.604 3.475 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)CC(C)C ZINC000043800096 1403819752 /nfs/dbraw/zinc/81/97/52/1403819752.db2.gz CHZIOVKGWAXDDL-LJQANCHMSA-N 2 0 389.588 3.316 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000043800728 1403819832 /nfs/dbraw/zinc/81/98/32/1403819832.db2.gz BGBMKWCLHYARGW-OAQYLSRUSA-N 2 0 399.514 3.002 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043800479 1403819889 /nfs/dbraw/zinc/81/98/89/1403819889.db2.gz CHEHRWJLKSLDER-UHFFFAOYSA-N 2 0 395.551 3.034 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000043993510 1403857626 /nfs/dbraw/zinc/85/76/26/1403857626.db2.gz QGMVLSDTZDXKCR-UHFFFAOYSA-N 2 0 388.556 3.499 20 0 GGADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182396 1404069324 /nfs/dbraw/zinc/06/93/24/1404069324.db2.gz SHZDYXAEONPEFO-VQTJNVASSA-N 2 0 390.959 3.230 20 0 GGADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000045462417 1404126946 /nfs/dbraw/zinc/12/69/46/1404126946.db2.gz VSMHAEUWCFUNTG-UHFFFAOYSA-N 2 0 386.584 3.333 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045543527 1404143880 /nfs/dbraw/zinc/14/38/80/1404143880.db2.gz JCRAURDAVWSHRN-QFBILLFUSA-N 2 0 386.565 3.097 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000045756627 1404195636 /nfs/dbraw/zinc/19/56/36/1404195636.db2.gz GLAQJGWBLVMMTR-UHFFFAOYSA-N 2 0 384.568 3.229 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000045757663 1404196812 /nfs/dbraw/zinc/19/68/12/1404196812.db2.gz SMWGDBVWFWXIII-AZUAARDMSA-N 2 0 386.584 3.379 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000045983939 1404261982 /nfs/dbraw/zinc/26/19/82/1404261982.db2.gz MEIBZUZGELIXOL-LJQANCHMSA-N 2 0 387.572 3.072 20 0 GGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000046926777 1404637368 /nfs/dbraw/zinc/63/73/68/1404637368.db2.gz PGEJDSUGUFGWIK-UHFFFAOYSA-N 2 0 394.563 3.474 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777638 1404938454 /nfs/dbraw/zinc/93/84/54/1404938454.db2.gz QBFZHYMCCXKKNO-OAQYLSRUSA-N 2 0 396.535 3.164 20 0 GGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000047835357 1404968468 /nfs/dbraw/zinc/96/84/68/1404968468.db2.gz IJAGQDJOPCPEDI-UHFFFAOYSA-N 2 0 392.975 3.478 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000047884949 1404983898 /nfs/dbraw/zinc/98/38/98/1404983898.db2.gz OHUPCSYEWNNTPY-NRFANRHFSA-N 2 0 390.572 3.250 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000047978914 1405014759 /nfs/dbraw/zinc/01/47/59/1405014759.db2.gz FYJPCUMSCNKKAL-KDURUIRLSA-N 2 0 386.584 3.448 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048230032 1405106521 /nfs/dbraw/zinc/10/65/21/1405106521.db2.gz PBEBBLHOAYKSFK-QZTJIDSGSA-N 2 0 386.496 3.146 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000048394819 1405177589 /nfs/dbraw/zinc/17/75/89/1405177589.db2.gz RZQFSDUAGYSFJA-GOSISDBHSA-N 2 0 384.568 3.345 20 0 GGADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048564868 1405226669 /nfs/dbraw/zinc/22/66/69/1405226669.db2.gz MXNZBKGBDUZDAL-IBGZPJMESA-N 2 0 387.568 3.288 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000048717144 1405266990 /nfs/dbraw/zinc/26/69/90/1405266990.db2.gz YDWYVCCXJQAGKA-UHFFFAOYSA-N 2 0 394.475 3.036 20 0 GGADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000048749256 1405280905 /nfs/dbraw/zinc/28/09/05/1405280905.db2.gz CITDZAXBPFJESW-KRWDZBQOSA-N 2 0 384.524 3.070 20 0 GGADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc2c1OCO2 ZINC000048816679 1405298144 /nfs/dbraw/zinc/29/81/44/1405298144.db2.gz LLVXUHUPRCUVPY-IAGOWNOFSA-N 2 0 398.503 3.323 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C[NH+]1CCCCC1 ZINC000050136848 1405496820 /nfs/dbraw/zinc/49/68/20/1405496820.db2.gz HJELRMOUXDIUEF-OALUTQOASA-N 2 0 392.613 3.381 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C[NH+]1CCCCC1 ZINC000050136851 1405496874 /nfs/dbraw/zinc/49/68/74/1405496874.db2.gz HJELRMOUXDIUEF-RTBURBONSA-N 2 0 392.613 3.381 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C[NH+]1CCCCC1 ZINC000050136850 1405497382 /nfs/dbraw/zinc/49/73/82/1405497382.db2.gz HJELRMOUXDIUEF-RBUKOAKNSA-N 2 0 392.613 3.381 20 0 GGADRP COc1ccc(Br)cc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189732 1405740660 /nfs/dbraw/zinc/74/06/60/1405740660.db2.gz KYFGWHNADFUMJD-UHFFFAOYSA-N 2 0 396.373 3.106 20 0 GGADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051957398 1405889952 /nfs/dbraw/zinc/88/99/52/1405889952.db2.gz IBRYWBGVVJZJEK-KNQAVFIVSA-N 2 0 387.568 3.077 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000052209365 1405985154 /nfs/dbraw/zinc/98/51/54/1405985154.db2.gz RKWPLAYPBLPJHY-UHFFFAOYSA-N 2 0 375.557 3.098 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000052210269 1405985318 /nfs/dbraw/zinc/98/53/18/1405985318.db2.gz HZHJWBZJAHBLPT-OAQYLSRUSA-N 2 0 386.584 3.458 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000056794168 1407435540 /nfs/dbraw/zinc/43/55/40/1407435540.db2.gz PHMJBLLCDSFKFI-IBGZPJMESA-N 2 0 388.512 3.091 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000056934117 1407477085 /nfs/dbraw/zinc/47/70/85/1407477085.db2.gz YKTOKSZQBGDDBE-FQEVSTJZSA-N 2 0 388.556 3.006 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000056937859 1407478824 /nfs/dbraw/zinc/47/88/24/1407478824.db2.gz UQFDKUUADKYHKC-RBUKOAKNSA-N 2 0 388.487 3.158 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000056950317 1407482413 /nfs/dbraw/zinc/48/24/13/1407482413.db2.gz PLYMIBBMECSCOU-LEWJYISDSA-N 2 0 384.499 3.002 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000057043172 1407507941 /nfs/dbraw/zinc/50/79/41/1407507941.db2.gz FJTBBXAASGQFGT-MOPGFXCFSA-N 2 0 376.545 3.228 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000057173083 1407544236 /nfs/dbraw/zinc/54/42/36/1407544236.db2.gz FZDAHISMLKGFGB-BGYRXZFFSA-N 2 0 381.564 3.126 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000057173085 1407544581 /nfs/dbraw/zinc/54/45/81/1407544581.db2.gz FZDAHISMLKGFGB-WOJBJXKFSA-N 2 0 381.564 3.126 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000057172648 1407544767 /nfs/dbraw/zinc/54/47/67/1407544767.db2.gz MKBWZHIASPYNKI-PMACEKPBSA-N 2 0 381.564 3.126 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000057177558 1407547309 /nfs/dbraw/zinc/54/73/09/1407547309.db2.gz ZCWAOLRMEDAJGY-QFIPXVFZSA-N 2 0 383.511 3.457 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000057611605 1407665026 /nfs/dbraw/zinc/66/50/26/1407665026.db2.gz DLPIJYAGEWKNEZ-UHFFFAOYSA-N 2 0 386.584 3.475 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000057615866 1407668229 /nfs/dbraw/zinc/66/82/29/1407668229.db2.gz YKKJTMIDAYZFBY-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000057705819 1407694655 /nfs/dbraw/zinc/69/46/55/1407694655.db2.gz BYLCPESWLKLWGG-BEFAXECRSA-N 2 0 383.458 3.040 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057817354 1407726485 /nfs/dbraw/zinc/72/64/85/1407726485.db2.gz MMBZCUFYVPSPFJ-LJQANCHMSA-N 2 0 392.638 3.049 20 0 GGADRP COc1ccccc1CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843694 1407735205 /nfs/dbraw/zinc/73/52/05/1407735205.db2.gz LVHGXUSTHZBUDZ-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889790 1407747745 /nfs/dbraw/zinc/74/77/45/1407747745.db2.gz ZGEUOUJPRZJCIZ-UHFFFAOYSA-N 2 0 383.536 3.261 20 0 GGADRP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889578 1407748074 /nfs/dbraw/zinc/74/80/74/1407748074.db2.gz UGWMMCSYJKAETK-QFIPXVFZSA-N 2 0 390.568 3.161 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000057974060 1407763070 /nfs/dbraw/zinc/76/30/70/1407763070.db2.gz LMIKHTFQGZRABQ-IBGZPJMESA-N 2 0 398.425 3.349 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000176351119 1428262952 /nfs/dbraw/zinc/26/29/52/1428262952.db2.gz GFHKNLYPUDPLFS-LJQANCHMSA-N 2 0 392.544 3.263 20 0 GGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000176349693 1428263050 /nfs/dbraw/zinc/26/30/50/1428263050.db2.gz XSKHCPBXQKSVTL-IBGZPJMESA-N 2 0 396.620 3.076 20 0 GGADRP CC[NH+](CC)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058013714 1407769660 /nfs/dbraw/zinc/76/96/60/1407769660.db2.gz UOUNCFSTHTYDSQ-UHFFFAOYSA-N 2 0 380.536 3.289 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000176351868 1428263948 /nfs/dbraw/zinc/26/39/48/1428263948.db2.gz DCCGONBAFWBEHS-SQNIBIBYSA-N 2 0 376.570 3.153 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058467317 1407833350 /nfs/dbraw/zinc/83/33/50/1407833350.db2.gz YWTTVHYRHBBMAC-JOCHJYFZSA-N 2 0 380.536 3.253 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000060368383 1407962706 /nfs/dbraw/zinc/96/27/06/1407962706.db2.gz FMXUJBNVTLNCEO-ROUUACIJSA-N 2 0 390.524 3.005 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000060581526 1408006353 /nfs/dbraw/zinc/00/63/53/1408006353.db2.gz UFNSIMJASUVTOO-QHCPKHFHSA-N 2 0 377.532 3.216 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000176375629 1428282968 /nfs/dbraw/zinc/28/29/68/1428282968.db2.gz WKLHCSWZMUXWSM-XZOQPEGZSA-N 2 0 398.595 3.115 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000176375232 1428283017 /nfs/dbraw/zinc/28/30/17/1428283017.db2.gz KDHCTGKOLMJJAQ-SFHVURJKSA-N 2 0 378.586 3.447 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000060954812 1408056225 /nfs/dbraw/zinc/05/62/25/1408056225.db2.gz KORBQRQSAZHDKD-FGZHOGPDSA-N 2 0 380.536 3.253 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(OC)c(OC)c3)cc2)CC1 ZINC000061070126 1408073830 /nfs/dbraw/zinc/07/38/30/1408073830.db2.gz SLBBTUINVVLPDX-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000061113364 1408078882 /nfs/dbraw/zinc/07/88/82/1408078882.db2.gz SYIRNTYHXSFAHE-RBUKOAKNSA-N 2 0 386.565 3.315 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000061795578 1408179035 /nfs/dbraw/zinc/17/90/35/1408179035.db2.gz XFHIBRYBAGCQCZ-JOCHJYFZSA-N 2 0 382.552 3.110 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000062253182 1408224556 /nfs/dbraw/zinc/22/45/56/1408224556.db2.gz QMBJASMWAPHQNQ-KBPBESRZSA-N 2 0 399.329 3.157 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000062428354 1408256747 /nfs/dbraw/zinc/25/67/47/1408256747.db2.gz GXKHPIREEFHPEJ-JOCHJYFZSA-N 2 0 395.551 3.171 20 0 GGADRP CC(C)[NH+](CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000063143315 1408307174 /nfs/dbraw/zinc/30/71/74/1408307174.db2.gz SAHYQAOHQZLOEZ-UHFFFAOYSA-N 2 0 376.614 3.234 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145024 1408307338 /nfs/dbraw/zinc/30/73/38/1408307338.db2.gz NWCYAJDDWYRHRM-IBGZPJMESA-N 2 0 388.625 3.380 20 0 GGADRP CC(C)[NH+]1CCC(N(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063147142 1408308175 /nfs/dbraw/zinc/30/81/75/1408308175.db2.gz NIFOFWXFXGCVCJ-UHFFFAOYSA-N 2 0 388.625 3.330 20 0 GGADRP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000063149510 1408309010 /nfs/dbraw/zinc/30/90/10/1408309010.db2.gz OMYNWUONXDLULD-OAQYLSRUSA-N 2 0 386.609 3.086 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000063319562 1408336093 /nfs/dbraw/zinc/33/60/93/1408336093.db2.gz VKQINBPEGAZLFE-UHFFFAOYSA-N 2 0 391.519 3.278 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063321426 1408336847 /nfs/dbraw/zinc/33/68/47/1408336847.db2.gz DSMAPPIDKRLYMT-UHFFFAOYSA-N 2 0 399.583 3.215 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccs1 ZINC000063399176 1408349098 /nfs/dbraw/zinc/34/90/98/1408349098.db2.gz ROPICSRMRGMRQD-SFHVURJKSA-N 2 0 378.586 3.305 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccsc1 ZINC000063407716 1408350209 /nfs/dbraw/zinc/35/02/09/1408350209.db2.gz OXGXIOJXPFTJIO-IBGZPJMESA-N 2 0 378.586 3.305 20 0 GGADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000063464655 1408358877 /nfs/dbraw/zinc/35/88/77/1408358877.db2.gz WPIJMPFQGFQTOY-OAQYLSRUSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)c2)CCO1 ZINC000063524195 1408368002 /nfs/dbraw/zinc/36/80/02/1408368002.db2.gz ROBONPAUAVMHQY-FQEVSTJZSA-N 2 0 397.563 3.138 20 0 GGADRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000063551432 1408371429 /nfs/dbraw/zinc/37/14/29/1408371429.db2.gz JAZHQQKVGTXKIP-UHFFFAOYSA-N 2 0 375.520 3.484 20 0 GGADRP COc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1SC ZINC000063915677 1408445034 /nfs/dbraw/zinc/44/50/34/1408445034.db2.gz QYHLFDVTWSEGJQ-UHFFFAOYSA-N 2 0 385.577 3.454 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000064130693 1408492550 /nfs/dbraw/zinc/49/25/50/1408492550.db2.gz SVVAIFJMOUXXFQ-UHFFFAOYSA-N 2 0 399.583 3.168 20 0 GGADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C[NH+]1CCCCC1 ZINC000064244465 1408520226 /nfs/dbraw/zinc/52/02/26/1408520226.db2.gz XFNYXTFPLVZGDG-GOSISDBHSA-N 2 0 392.613 3.381 20 0 GGADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000064251409 1408521033 /nfs/dbraw/zinc/52/10/33/1408521033.db2.gz XDCHZBYSHSNUMD-UHFFFAOYSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)[NH+](CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000064251404 1408521042 /nfs/dbraw/zinc/52/10/42/1408521042.db2.gz FCINWQZMBLSYBY-UHFFFAOYSA-N 2 0 380.602 3.378 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000176467092 1428329799 /nfs/dbraw/zinc/32/97/99/1428329799.db2.gz RIAGAFVZXWUJPH-MOPGFXCFSA-N 2 0 390.597 3.228 20 0 GGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344418 1408537721 /nfs/dbraw/zinc/53/77/21/1408537721.db2.gz ROTWAKXJGLSRNL-QFIPXVFZSA-N 2 0 387.568 3.030 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000176467689 1428329901 /nfs/dbraw/zinc/32/99/01/1428329901.db2.gz XRSGBDKVIJUHTN-OTWHNJEPSA-N 2 0 390.597 3.228 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000176487080 1428336862 /nfs/dbraw/zinc/33/68/62/1428336862.db2.gz AYHVERIWPSSVLA-UHFFFAOYSA-N 2 0 390.572 3.458 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC000065466989 1408673471 /nfs/dbraw/zinc/67/34/71/1408673471.db2.gz ZFCGNXLXPRCPJS-JOCHJYFZSA-N 2 0 382.552 3.419 20 0 GGADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC000065477367 1408675496 /nfs/dbraw/zinc/67/54/96/1408675496.db2.gz YEDNKSRGHMDHQK-OAQYLSRUSA-N 2 0 386.584 3.333 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000065479262 1408675947 /nfs/dbraw/zinc/67/59/47/1408675947.db2.gz MCCFDKBRMSCHBZ-SFHVURJKSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000065480638 1408676031 /nfs/dbraw/zinc/67/60/31/1408676031.db2.gz DDRQHMQTPDTQDK-OALUTQOASA-N 2 0 376.545 3.226 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000065482508 1408676462 /nfs/dbraw/zinc/67/64/62/1408676462.db2.gz PRQWPRNYYOLFHX-HXUWFJFHSA-N 2 0 399.539 3.021 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000065481473 1408676693 /nfs/dbraw/zinc/67/66/93/1408676693.db2.gz SDBDGXIDQRIKKX-WIYYLYMNSA-N 2 0 398.551 3.409 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000065518283 1408682563 /nfs/dbraw/zinc/68/25/63/1408682563.db2.gz GVAOOOLVMRKTRL-HSZRJFAPSA-N 2 0 394.563 3.460 20 0 GGADRP CCc1ccc([C@H](CNC(=O)NCC[N@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC000065541622 1408686267 /nfs/dbraw/zinc/68/62/67/1408686267.db2.gz XTYYJSKHBULKLR-QFIPXVFZSA-N 2 0 382.552 3.283 20 0 GGADRP Cc1ccccc1C[NH+]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000065542737 1408686571 /nfs/dbraw/zinc/68/65/71/1408686571.db2.gz KNUYFKYINATKCP-UHFFFAOYSA-N 2 0 394.563 3.344 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000065750048 1408723888 /nfs/dbraw/zinc/72/38/88/1408723888.db2.gz KWPVEWSOWLLITF-PMACEKPBSA-N 2 0 386.584 3.067 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OCC(F)(F)F)cc3)cn2)CC1 ZINC000065890112 1408749018 /nfs/dbraw/zinc/74/90/18/1408749018.db2.gz KWGXUCOEFQHRLH-UHFFFAOYSA-N 2 0 394.441 3.064 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000066037937 1408777178 /nfs/dbraw/zinc/77/71/78/1408777178.db2.gz YMXYYHBCUXATRO-UHFFFAOYSA-N 2 0 378.605 3.452 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176346 1408787149 /nfs/dbraw/zinc/78/71/49/1408787149.db2.gz HFZPUJAELOQWLO-FQEVSTJZSA-N 2 0 390.959 3.184 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000066178601 1408787596 /nfs/dbraw/zinc/78/75/96/1408787596.db2.gz QZZMNAKNFAWIPX-UGKGYDQZSA-N 2 0 384.568 3.441 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066178603 1408787738 /nfs/dbraw/zinc/78/77/38/1408787738.db2.gz SQRSUUJWXSYIPM-UGKGYDQZSA-N 2 0 384.568 3.441 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066178617 1408787779 /nfs/dbraw/zinc/78/77/79/1408787779.db2.gz IDYKZMZFZZAPSN-UGKGYDQZSA-N 2 0 384.568 3.298 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000066177932 1408787794 /nfs/dbraw/zinc/78/77/94/1408787794.db2.gz KSYVWYDZCDSTSV-UHFFFAOYSA-N 2 0 386.584 3.475 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000066192032 1408789453 /nfs/dbraw/zinc/78/94/53/1408789453.db2.gz FCNWGHFHRVVFMY-GOSISDBHSA-N 2 0 392.613 3.476 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000066243809 1408795255 /nfs/dbraw/zinc/79/52/55/1408795255.db2.gz JBSITVVZKKMFFY-OAQYLSRUSA-N 2 0 380.536 3.264 20 0 GGADRP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000066410425 1408832606 /nfs/dbraw/zinc/83/26/06/1408832606.db2.gz SJJBQHZXZFGWSV-LJQANCHMSA-N 2 0 377.532 3.459 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)c1ccccc1 ZINC000066622329 1408871047 /nfs/dbraw/zinc/87/10/47/1408871047.db2.gz AXRWIQRVDDLDHR-QFIPXVFZSA-N 2 0 380.536 3.378 20 0 GGADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066662676 1408878989 /nfs/dbraw/zinc/87/89/89/1408878989.db2.gz ZAKJPQZFXQQHIR-HXUWFJFHSA-N 2 0 395.551 3.391 20 0 GGADRP COc1ccc2cc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)ccc2c1 ZINC000066877127 1408939886 /nfs/dbraw/zinc/93/98/86/1408939886.db2.gz KSENRTPJTQHNBK-UHFFFAOYSA-N 2 0 376.504 3.285 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc(-c4ccccc4)s3)ccn2)CC1 ZINC000066973100 1408969651 /nfs/dbraw/zinc/96/96/51/1408969651.db2.gz BYPSVVLWJOLLKM-UHFFFAOYSA-N 2 0 379.533 3.247 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000066984015 1408971076 /nfs/dbraw/zinc/97/10/76/1408971076.db2.gz WLEKHBBBYLHOPM-UHFFFAOYSA-N 2 0 388.600 3.313 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000066994756 1408974672 /nfs/dbraw/zinc/97/46/72/1408974672.db2.gz JKECPUHKTMTYHJ-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccco1 ZINC000067003491 1408977767 /nfs/dbraw/zinc/97/77/67/1408977767.db2.gz SJBPPXSKEMDALY-ROUUACIJSA-N 2 0 388.512 3.392 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000067120843 1409012974 /nfs/dbraw/zinc/01/29/74/1409012974.db2.gz MUQWBHJHKNUXQU-GOSISDBHSA-N 2 0 381.520 3.072 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120732 1409013268 /nfs/dbraw/zinc/01/32/68/1409013268.db2.gz UJPNIILPVQASEK-GOSISDBHSA-N 2 0 381.520 3.072 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000067188124 1409035700 /nfs/dbraw/zinc/03/57/00/1409035700.db2.gz MSICYAAPZMRKTP-UHFFFAOYSA-N 2 0 383.536 3.284 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3OC3CCCC3)cn2)CC1 ZINC000067186783 1409035939 /nfs/dbraw/zinc/03/59/39/1409035939.db2.gz KBCVXHCYTJYKCZ-UHFFFAOYSA-N 2 0 380.536 3.445 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000067188425 1409036609 /nfs/dbraw/zinc/03/66/09/1409036609.db2.gz RXWHIZFPIVMBTN-QGZVFWFLSA-N 2 0 389.975 3.009 20 0 GGADRP Cc1ccccc1-c1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000067191979 1409037284 /nfs/dbraw/zinc/03/72/84/1409037284.db2.gz NUAJISXVDCNROE-UHFFFAOYSA-N 2 0 388.581 3.464 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067282588 1409063688 /nfs/dbraw/zinc/06/36/88/1409063688.db2.gz KWIFALDLWAOFED-JOCHJYFZSA-N 2 0 386.584 3.270 20 0 GGADRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000067453117 1409122730 /nfs/dbraw/zinc/12/27/30/1409122730.db2.gz POISJXLYBLCSLS-GASCZTMLSA-N 2 0 385.346 3.437 20 0 GGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000067507070 1409139777 /nfs/dbraw/zinc/13/97/77/1409139777.db2.gz QRSNRCIVOSWGTO-FQEVSTJZSA-N 2 0 375.520 3.484 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccco1 ZINC000067507565 1409140883 /nfs/dbraw/zinc/14/08/83/1409140883.db2.gz MQYJFXZEPPCSSL-FQEVSTJZSA-N 2 0 399.539 3.236 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176637083 1428386963 /nfs/dbraw/zinc/38/69/63/1428386963.db2.gz PCYYDRHNEDIREJ-ZWKOTPCHSA-N 2 0 380.602 3.474 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000067671463 1409203987 /nfs/dbraw/zinc/20/39/87/1409203987.db2.gz ZNZHMDHVTWBINL-LJQANCHMSA-N 2 0 397.563 3.486 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176623201 1428382918 /nfs/dbraw/zinc/38/29/18/1428382918.db2.gz VQADXIZKBJZMFY-UHFFFAOYSA-N 2 0 392.503 3.284 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000067683789 1409206148 /nfs/dbraw/zinc/20/61/48/1409206148.db2.gz YVGSHISVXPARFL-UXHICEINSA-N 2 0 386.584 3.448 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000067684751 1409207231 /nfs/dbraw/zinc/20/72/31/1409207231.db2.gz MYAXHXFSBWHBJB-FQEVSTJZSA-N 2 0 386.584 3.448 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000067691555 1409207611 /nfs/dbraw/zinc/20/76/11/1409207611.db2.gz RIXMYQULROHOSO-HXUWFJFHSA-N 2 0 387.568 3.290 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccco1 ZINC000067709127 1409212642 /nfs/dbraw/zinc/21/26/42/1409212642.db2.gz FVHPSMYBNJEURX-SJORKVTESA-N 2 0 378.542 3.326 20 0 GGADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)c2)CCO1 ZINC000067976536 1409267800 /nfs/dbraw/zinc/26/78/00/1409267800.db2.gz ROBONPAUAVMHQY-HXUWFJFHSA-N 2 0 397.563 3.138 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132429 1409310406 /nfs/dbraw/zinc/31/04/06/1409310406.db2.gz WOAOMWQAQQQIGO-OAQYLSRUSA-N 2 0 387.593 3.326 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000068441996 1409404038 /nfs/dbraw/zinc/40/40/38/1409404038.db2.gz YGTZSJWWZQJZPQ-OAQYLSRUSA-N 2 0 394.519 3.180 20 0 GGADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068443998 1409404578 /nfs/dbraw/zinc/40/45/78/1409404578.db2.gz AFRURVONCWQMBX-UHFFFAOYSA-N 2 0 385.474 3.468 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000068546747 1409434712 /nfs/dbraw/zinc/43/47/12/1409434712.db2.gz SDXDFQAMSWYSMP-GOSISDBHSA-N 2 0 380.964 3.145 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000068564293 1409439957 /nfs/dbraw/zinc/43/99/57/1409439957.db2.gz UXKYWXADXYKBIZ-HXUWFJFHSA-N 2 0 384.524 3.368 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000068581328 1409444767 /nfs/dbraw/zinc/44/47/67/1409444767.db2.gz NLVVVPSUEKBWPB-LJQANCHMSA-N 2 0 392.544 3.263 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068741902 1409483474 /nfs/dbraw/zinc/48/34/74/1409483474.db2.gz CHCJEJLLOLRPBC-UHFFFAOYSA-N 2 0 378.520 3.287 20 0 GGADRP CC(C)[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000068777508 1409490577 /nfs/dbraw/zinc/49/05/77/1409490577.db2.gz ROFYLXWJZUZLSZ-FQEVSTJZSA-N 2 0 397.485 3.384 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176689765 1428409278 /nfs/dbraw/zinc/40/92/78/1428409278.db2.gz IUHVWOPYCFMLBP-QFIPXVFZSA-N 2 0 387.568 3.047 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccccc1F ZINC000068861186 1409509712 /nfs/dbraw/zinc/50/97/12/1409509712.db2.gz KRAIMTBQGHDZPH-IBGZPJMESA-N 2 0 397.538 3.469 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccs1 ZINC000068871648 1409512646 /nfs/dbraw/zinc/51/26/46/1409512646.db2.gz ROPICSRMRGMRQD-GOSISDBHSA-N 2 0 378.586 3.305 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000068887221 1409516094 /nfs/dbraw/zinc/51/60/94/1409516094.db2.gz HQCLWLDLNXPMHG-JOCHJYFZSA-N 2 0 386.584 3.113 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)CC1 ZINC000068999177 1409540326 /nfs/dbraw/zinc/54/03/26/1409540326.db2.gz VVQUTSNCINASEB-UHFFFAOYSA-N 2 0 386.584 3.069 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069624403 1409666492 /nfs/dbraw/zinc/66/64/92/1409666492.db2.gz IBSYDXFZCHKFFJ-UHFFFAOYSA-N 2 0 376.545 3.355 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000069679199 1409673711 /nfs/dbraw/zinc/67/37/11/1409673711.db2.gz LCULWKLHSPEXQR-UHFFFAOYSA-N 2 0 381.564 3.424 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1)C(C)C ZINC000069743622 1409687518 /nfs/dbraw/zinc/68/75/18/1409687518.db2.gz SJPNLXHYCYLKJZ-OAQYLSRUSA-N 2 0 387.568 3.101 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000069767103 1409693582 /nfs/dbraw/zinc/69/35/82/1409693582.db2.gz DFYWXYPBNZSFBE-UHFFFAOYSA-N 2 0 390.572 3.033 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3OC(F)F)cc2)CC1 ZINC000069785266 1409698419 /nfs/dbraw/zinc/69/84/19/1409698419.db2.gz MOOBHCBZZOCDCK-UHFFFAOYSA-N 2 0 375.463 3.325 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000069833383 1409711768 /nfs/dbraw/zinc/71/17/68/1409711768.db2.gz KPMKGDJYZZOHLR-OALUTQOASA-N 2 0 391.519 3.166 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000070870201 1409794188 /nfs/dbraw/zinc/79/41/88/1409794188.db2.gz SWLHONIGNTVQAI-KRWDZBQOSA-N 2 0 397.519 3.416 20 0 GGADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000071038444 1409815005 /nfs/dbraw/zinc/81/50/05/1409815005.db2.gz IYDQJMCJGYPRBH-UHFFFAOYSA-N 2 0 379.489 3.068 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000071912891 1409829978 /nfs/dbraw/zinc/82/99/78/1409829978.db2.gz HDMAENPKYIATKX-HXUWFJFHSA-N 2 0 384.524 3.368 20 0 GGADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072027848 1409838605 /nfs/dbraw/zinc/83/86/05/1409838605.db2.gz WRFSBJDAQYXMQT-HXUWFJFHSA-N 2 0 387.593 3.129 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073618449 1409863220 /nfs/dbraw/zinc/86/32/20/1409863220.db2.gz JAKLMPQGNCRAGA-QFIPXVFZSA-N 2 0 386.584 3.209 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](CC)[NH+]2CCc3ccccc3C2)C1 ZINC000073657208 1409863575 /nfs/dbraw/zinc/86/35/75/1409863575.db2.gz VJBHQWUIMVESCW-SIKLNZKXSA-N 2 0 386.584 3.197 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000073811052 1409866062 /nfs/dbraw/zinc/86/60/62/1409866062.db2.gz REFQXFJIHDACJW-BHIFYINESA-N 2 0 384.568 3.338 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000073981034 1409867998 /nfs/dbraw/zinc/86/79/98/1409867998.db2.gz DVPYZLUPUNHYJL-OALUTQOASA-N 2 0 376.545 3.241 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000073981035 1409868178 /nfs/dbraw/zinc/86/81/78/1409868178.db2.gz DVPYZLUPUNHYJL-RTBURBONSA-N 2 0 376.545 3.241 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000074084668 1409868965 /nfs/dbraw/zinc/86/89/65/1409868965.db2.gz VPFOMMNBJJHABK-FCHUYYIVSA-N 2 0 386.584 3.067 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000074193520 1409870292 /nfs/dbraw/zinc/87/02/92/1409870292.db2.gz CNJVCVQZSFIEOE-LJQANCHMSA-N 2 0 377.598 3.184 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074849376 1409877566 /nfs/dbraw/zinc/87/75/66/1409877566.db2.gz CAVYMQKNQDFQLQ-QFIPXVFZSA-N 2 0 384.568 3.156 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000074852369 1409877584 /nfs/dbraw/zinc/87/75/84/1409877584.db2.gz DQICWKSRVUBERY-SVFBPWRDSA-N 2 0 378.605 3.118 20 0 GGADRP CC(C)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000074850587 1409877698 /nfs/dbraw/zinc/87/76/98/1409877698.db2.gz LBZMHKBRHFCGHD-NHCUHLMSSA-N 2 0 378.605 3.116 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000074858077 1409878075 /nfs/dbraw/zinc/87/80/75/1409878075.db2.gz BDJZAKVZZKNAGU-WSTZPKSXSA-N 2 0 378.605 3.116 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)N1CC[NH+](C)CC1 ZINC000075762907 1409882710 /nfs/dbraw/zinc/88/27/10/1409882710.db2.gz ZIMFTZWIOTYIAI-QHCPKHFHSA-N 2 0 382.552 3.022 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000075820863 1409883125 /nfs/dbraw/zinc/88/31/25/1409883125.db2.gz WUWREUIZSFZUGP-UHFFFAOYSA-N 2 0 375.463 3.325 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000075963888 1409884418 /nfs/dbraw/zinc/88/44/18/1409884418.db2.gz MWXMBAQUBQLQLZ-GOSISDBHSA-N 2 0 375.582 3.090 20 0 GGADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324848 1409887063 /nfs/dbraw/zinc/88/70/63/1409887063.db2.gz BVRXHOYWVANJPA-HNNXBMFYSA-N 2 0 381.511 3.442 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000076324903 1409887133 /nfs/dbraw/zinc/88/71/33/1409887133.db2.gz IMKPUJZFDTYYBK-UHFFFAOYSA-N 2 0 382.552 3.151 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc2ccccc12 ZINC000076588200 1409890109 /nfs/dbraw/zinc/89/01/09/1409890109.db2.gz LHAGEQVJOCLLSF-FQEVSTJZSA-N 2 0 382.552 3.042 20 0 GGADRP C[NH+](C)CCCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000077615806 1409898273 /nfs/dbraw/zinc/89/82/73/1409898273.db2.gz IGWGXZFCEZVUDL-UHFFFAOYSA-N 2 0 381.948 3.031 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000077711908 1409899019 /nfs/dbraw/zinc/89/90/19/1409899019.db2.gz BEYGOKYHBUAIQK-UHFFFAOYSA-N 2 0 380.536 3.343 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000077712090 1409899106 /nfs/dbraw/zinc/89/91/06/1409899106.db2.gz KYIPNYMGSMSQHN-JOCHJYFZSA-N 2 0 380.536 3.212 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000077763928 1409899743 /nfs/dbraw/zinc/89/97/43/1409899743.db2.gz ZSAZQKXPCPYVFB-JOCHJYFZSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000077774186 1409899868 /nfs/dbraw/zinc/89/98/68/1409899868.db2.gz YLAWYWUEQGKEPK-PMACEKPBSA-N 2 0 386.584 3.113 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000077763957 1409899970 /nfs/dbraw/zinc/89/99/70/1409899970.db2.gz HNLZXCYPEDTBIQ-QFIPXVFZSA-N 2 0 384.568 3.298 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785543 1409900625 /nfs/dbraw/zinc/90/06/25/1409900625.db2.gz HSZOKBDOTHYJTK-FGZHOGPDSA-N 2 0 384.568 3.339 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077800781 1409901859 /nfs/dbraw/zinc/90/18/59/1409901859.db2.gz YQOMDQJUFRQOTO-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077827840 1409902735 /nfs/dbraw/zinc/90/27/35/1409902735.db2.gz GZDMFWJAHPZMKR-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000078052187 1409907380 /nfs/dbraw/zinc/90/73/80/1409907380.db2.gz LZXBNRWQKNMAQT-HOTGVXAUSA-N 2 0 382.570 3.405 20 0 GGADRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000078052184 1409907704 /nfs/dbraw/zinc/90/77/04/1409907704.db2.gz LZXBNRWQKNMAQT-IYBDPMFKSA-N 2 0 382.570 3.405 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000078434348 1409917096 /nfs/dbraw/zinc/91/70/96/1409917096.db2.gz HHIIMIUDLNRVHI-JOCHJYFZSA-N 2 0 380.536 3.385 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000078522885 1409923337 /nfs/dbraw/zinc/92/33/37/1409923337.db2.gz BREFJFJZYVWGHK-ROUUACIJSA-N 2 0 378.586 3.305 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000078947756 1409945719 /nfs/dbraw/zinc/94/57/19/1409945719.db2.gz AHVPHKPKMKQHIJ-UHFFFAOYSA-N 2 0 376.545 3.007 20 0 GGADRP CC[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079097223 1409956633 /nfs/dbraw/zinc/95/66/33/1409956633.db2.gz FJJCGILNNHVFMI-QFIPXVFZSA-N 2 0 386.584 3.243 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000079204563 1409962618 /nfs/dbraw/zinc/96/26/18/1409962618.db2.gz JUSCBGLZEUGMNO-MOPGFXCFSA-N 2 0 376.545 3.370 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000079224093 1409963220 /nfs/dbraw/zinc/96/32/20/1409963220.db2.gz NDQIANLCMURCQH-SFHVURJKSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000079224300 1409963579 /nfs/dbraw/zinc/96/35/79/1409963579.db2.gz RDDGTIOGSQJXHD-MSOLQXFVSA-N 2 0 378.586 3.449 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079256951 1409963613 /nfs/dbraw/zinc/96/36/13/1409963613.db2.gz PAAHGOOYIYTLNS-FCHUYYIVSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000079267297 1409964322 /nfs/dbraw/zinc/96/43/22/1409964322.db2.gz OXIDZNCAYIGBSU-SCTDSRPQSA-N 2 0 380.602 3.408 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251081 1409964355 /nfs/dbraw/zinc/96/43/55/1409964355.db2.gz TXEUFRQXTNWGKZ-OALUTQOASA-N 2 0 378.586 3.401 20 0 GGADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000079309569 1409968219 /nfs/dbraw/zinc/96/82/19/1409968219.db2.gz QCGUNWHEIJZREE-QZTJIDSGSA-N 2 0 390.547 3.019 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000079571342 1409981880 /nfs/dbraw/zinc/98/18/80/1409981880.db2.gz IPEZYMJJZMROSC-IBGZPJMESA-N 2 0 376.545 3.178 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000079572791 1409982092 /nfs/dbraw/zinc/98/20/92/1409982092.db2.gz KJCBMCAIWZZHDW-SFHVURJKSA-N 2 0 378.586 3.258 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000079571346 1409982574 /nfs/dbraw/zinc/98/25/74/1409982574.db2.gz IPEZYMJJZMROSC-LJQANCHMSA-N 2 0 376.545 3.178 20 0 GGADRP CC[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079601314 1409982822 /nfs/dbraw/zinc/98/28/22/1409982822.db2.gz RZVPRYOCSYFHHB-JOCHJYFZSA-N 2 0 386.584 3.197 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000079620473 1409984015 /nfs/dbraw/zinc/98/40/15/1409984015.db2.gz GKAQOUQMAKFEAI-UHFFFAOYSA-N 2 0 386.584 3.197 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080164721 1410001940 /nfs/dbraw/zinc/00/19/40/1410001940.db2.gz JUFRSZWTPYNDDX-DENIHFKCSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080164978 1410002060 /nfs/dbraw/zinc/00/20/60/1410002060.db2.gz CANVQDIMRGSKLC-FCEUIQTBSA-N 2 0 384.568 3.309 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165714 1410002170 /nfs/dbraw/zinc/00/21/70/1410002170.db2.gz SZOUCCJXDPNBQM-PZJWPPBQSA-N 2 0 384.568 3.309 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000080645528 1410009085 /nfs/dbraw/zinc/00/90/85/1410009085.db2.gz RONZAAJCUDIROR-UHFFFAOYSA-N 2 0 381.948 3.491 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000081363204 1410018138 /nfs/dbraw/zinc/01/81/38/1410018138.db2.gz ZMUPRHNFQQMFOQ-WOJBJXKFSA-N 2 0 375.532 3.228 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000081361738 1410018727 /nfs/dbraw/zinc/01/87/27/1410018727.db2.gz GJWOAIRGMBUBAJ-LJQANCHMSA-N 2 0 375.582 3.039 20 0 GGADRP CN(C)C(=O)Sc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000084074586 1410034320 /nfs/dbraw/zinc/03/43/20/1410034320.db2.gz IJHMPVLKRTUDRQ-UHFFFAOYSA-N 2 0 377.554 3.005 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000084183704 1410034639 /nfs/dbraw/zinc/03/46/39/1410034639.db2.gz RGBPTMZNWSPQSP-UHFFFAOYSA-N 2 0 376.932 3.234 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000084442092 1410036418 /nfs/dbraw/zinc/03/64/18/1410036418.db2.gz SVCZNCKZYHUDOZ-SFHVURJKSA-N 2 0 378.586 3.086 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000085389930 1410040722 /nfs/dbraw/zinc/04/07/22/1410040722.db2.gz WGMAYKYXMSYYRR-UGKGYDQZSA-N 2 0 386.584 3.400 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394126 1410040880 /nfs/dbraw/zinc/04/08/80/1410040880.db2.gz GKHAPDNBVSOANC-KSEOMHKRSA-N 2 0 386.584 3.441 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000085456471 1410042617 /nfs/dbraw/zinc/04/26/17/1410042617.db2.gz GIKAVQORIAVDKK-KDURUIRLSA-N 2 0 375.557 3.148 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000089123758 1410051577 /nfs/dbraw/zinc/05/15/77/1410051577.db2.gz MEATVGXRQYWIJS-GASCZTMLSA-N 2 0 380.554 3.164 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000089123759 1410051923 /nfs/dbraw/zinc/05/19/23/1410051923.db2.gz MEATVGXRQYWIJS-HUUCEWRRSA-N 2 0 380.554 3.164 20 0 GGADRP C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000089555417 1410055281 /nfs/dbraw/zinc/05/52/81/1410055281.db2.gz JEZQVHCXPHIAMD-QGZVFWFLSA-N 2 0 381.586 3.148 20 0 GGADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000090038832 1410061180 /nfs/dbraw/zinc/06/11/80/1410061180.db2.gz QOUKNJGGZXYFGH-HXUWFJFHSA-N 2 0 375.463 3.497 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2ccccc2n1 ZINC000090038636 1410061470 /nfs/dbraw/zinc/06/14/70/1410061470.db2.gz QIXRERHKSOSHNO-KRWDZBQOSA-N 2 0 376.504 3.377 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000090201425 1410063618 /nfs/dbraw/zinc/06/36/18/1410063618.db2.gz WYILBDKJYAMVBV-SFHVURJKSA-N 2 0 377.529 3.116 20 0 GGADRP CC1(C)C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090189477 1410063708 /nfs/dbraw/zinc/06/37/08/1410063708.db2.gz HUXOWKMCGOOGDJ-ZRBLBEILSA-N 2 0 385.596 3.397 20 0 GGADRP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090234227 1410063911 /nfs/dbraw/zinc/06/39/11/1410063911.db2.gz RKRIUWUNYRGNGY-ZWKOTPCHSA-N 2 0 375.557 3.363 20 0 GGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525618 1410063923 /nfs/dbraw/zinc/06/39/23/1410063923.db2.gz UIZHQDBFPNUYRZ-DNQXCXABSA-N 2 0 385.596 3.051 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524164 1410063996 /nfs/dbraw/zinc/06/39/96/1410063996.db2.gz CQGDZTPDFOGFBP-WTNAPCKOSA-N 2 0 376.541 3.130 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524154 1410064521 /nfs/dbraw/zinc/06/45/21/1410064521.db2.gz CQGDZTPDFOGFBP-YHYVQYDKSA-N 2 0 376.541 3.130 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526334 1410065275 /nfs/dbraw/zinc/06/52/75/1410065275.db2.gz FBNLTXAIYNSYTF-VDGAXYAQSA-N 2 0 376.541 3.431 20 0 GGADRP CC[C@@H](CSC)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000091097159 1410070469 /nfs/dbraw/zinc/07/04/69/1410070469.db2.gz KOBDVGFDKFQQKE-FQEVSTJZSA-N 2 0 377.598 3.149 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)N1CC[NH+](C)CC1 ZINC000091283344 1410071616 /nfs/dbraw/zinc/07/16/16/1410071616.db2.gz RRKMZQQHAQPHEJ-HNAYVOBHSA-N 2 0 377.964 3.149 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000091231331 1410071778 /nfs/dbraw/zinc/07/17/78/1410071778.db2.gz YXPXCJGUAVSUTA-HXUWFJFHSA-N 2 0 378.536 3.118 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091320764 1410072454 /nfs/dbraw/zinc/07/24/54/1410072454.db2.gz UMFBMKOCBCJCNJ-CVEARBPZSA-N 2 0 377.964 3.151 20 0 GGADRP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)nc3ccccc32)C1 ZINC000091482886 1410074110 /nfs/dbraw/zinc/07/41/10/1410074110.db2.gz ZJPSHKASOFWFHJ-MSOLQXFVSA-N 2 0 382.556 3.137 20 0 GGADRP Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)n1 ZINC000091832891 1410084591 /nfs/dbraw/zinc/08/45/91/1410084591.db2.gz FNLRRSKOEVWOAD-IBGZPJMESA-N 2 0 383.540 3.288 20 0 GGADRP Cc1noc(C2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)n1 ZINC000091835861 1410084813 /nfs/dbraw/zinc/08/48/13/1410084813.db2.gz GPXNQBNIFHYHQI-UHFFFAOYSA-N 2 0 383.540 3.288 20 0 GGADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC000092003952 1410096601 /nfs/dbraw/zinc/09/66/01/1410096601.db2.gz IQTYOCQTHZVCBR-HXUWFJFHSA-N 2 0 396.535 3.181 20 0 GGADRP Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092011473 1410098253 /nfs/dbraw/zinc/09/82/53/1410098253.db2.gz PRLHEZIZJPKOSZ-SFTDATJTSA-N 2 0 384.568 3.324 20 0 GGADRP COc1ccc(N2CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000092380636 1410148659 /nfs/dbraw/zinc/14/86/59/1410148659.db2.gz CGEXQXBZBNWIRA-UHFFFAOYSA-N 2 0 383.536 3.348 20 0 GGADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092380896 1410148761 /nfs/dbraw/zinc/14/87/61/1410148761.db2.gz WYYRZTRHJLIGQZ-UHFFFAOYSA-N 2 0 398.551 3.412 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389474 1410149029 /nfs/dbraw/zinc/14/90/29/1410149029.db2.gz XZWUKLBAWACUCY-GOSISDBHSA-N 2 0 378.992 3.302 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389476 1410149774 /nfs/dbraw/zinc/14/97/74/1410149774.db2.gz XZWUKLBAWACUCY-SFHVURJKSA-N 2 0 378.992 3.302 20 0 GGADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389207 1410149833 /nfs/dbraw/zinc/14/98/33/1410149833.db2.gz QJPUKSADDUNOQH-MRXNPFEDSA-N 2 0 375.948 3.023 20 0 GGADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092400059 1410150634 /nfs/dbraw/zinc/15/06/34/1410150634.db2.gz QHSSCPYOIXFYIG-ICSRJNTNSA-N 2 0 375.557 3.144 20 0 GGADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000092426755 1410157074 /nfs/dbraw/zinc/15/70/74/1410157074.db2.gz BWUZLOJYHRFESW-APWZRJJASA-N 2 0 375.557 3.319 20 0 GGADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000092426763 1410157231 /nfs/dbraw/zinc/15/72/31/1410157231.db2.gz BWUZLOJYHRFESW-VQIMIIECSA-N 2 0 375.557 3.319 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480251 1410160578 /nfs/dbraw/zinc/16/05/78/1410160578.db2.gz MBGBAWLBCIMLNI-UHFFFAOYSA-N 2 0 396.535 3.413 20 0 GGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092488850 1410162259 /nfs/dbraw/zinc/16/22/59/1410162259.db2.gz HZYPBDVHRGZDND-GOSISDBHSA-N 2 0 375.561 3.060 20 0 GGADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000092587440 1410176856 /nfs/dbraw/zinc/17/68/56/1410176856.db2.gz OSOSSDGQKRQWKN-IRXDYDNUSA-N 2 0 392.540 3.034 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587566 1410176962 /nfs/dbraw/zinc/17/69/62/1410176962.db2.gz PDGCIOQZTQECJA-ROUUACIJSA-N 2 0 398.551 3.407 20 0 GGADRP COCCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587427 1410177124 /nfs/dbraw/zinc/17/71/24/1410177124.db2.gz YBOJEDIMUHDNGB-RTBURBONSA-N 2 0 376.541 3.033 20 0 GGADRP COCCCOc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587586 1410177211 /nfs/dbraw/zinc/17/72/11/1410177211.db2.gz FNJTYFHDZMGKAJ-BGYRXZFFSA-N 2 0 390.568 3.423 20 0 GGADRP COCCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000092587498 1410177266 /nfs/dbraw/zinc/17/72/66/1410177266.db2.gz FVNQOCARFNXQAM-RTBURBONSA-N 2 0 376.541 3.033 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1OC ZINC000092587136 1410177277 /nfs/dbraw/zinc/17/72/77/1410177277.db2.gz PKSYCKCNXPPZTF-IRXDYDNUSA-N 2 0 392.540 3.034 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092662630 1410183803 /nfs/dbraw/zinc/18/38/03/1410183803.db2.gz HPTLHLMRQKAPPR-HSZRJFAPSA-N 2 0 388.552 3.321 20 0 GGADRP CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092706613 1410191657 /nfs/dbraw/zinc/19/16/57/1410191657.db2.gz YZDHALFRUWMCCK-NRFANRHFSA-N 2 0 387.568 3.145 20 0 GGADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000092812799 1410202877 /nfs/dbraw/zinc/20/28/77/1410202877.db2.gz QCNWLBZKYRSXMQ-FQEVSTJZSA-N 2 0 379.552 3.158 20 0 GGADRP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820875 1410203109 /nfs/dbraw/zinc/20/31/09/1410203109.db2.gz VTVFJLMLRLKOTJ-JOCHJYFZSA-N 2 0 380.536 3.449 20 0 GGADRP Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)o1 ZINC000093009237 1410215042 /nfs/dbraw/zinc/21/50/42/1410215042.db2.gz WGZGYPHQEVAKCW-UHFFFAOYSA-N 2 0 399.535 3.231 20 0 GGADRP CCCOc1c(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cccc1OCC ZINC000093133023 1410223491 /nfs/dbraw/zinc/22/34/91/1410223491.db2.gz MKPIZNSCXMFTDV-HXUWFJFHSA-N 2 0 375.557 3.086 20 0 GGADRP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OCC(C)C ZINC000093133389 1410224128 /nfs/dbraw/zinc/22/41/28/1410224128.db2.gz OMRSNECVVNEXMD-NRFANRHFSA-N 2 0 389.584 3.332 20 0 GGADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093133167 1410224151 /nfs/dbraw/zinc/22/41/51/1410224151.db2.gz WHPGOCDZMWXACH-HXUWFJFHSA-N 2 0 375.557 3.086 20 0 GGADRP CN(C)C(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)[nH]1 ZINC000176798263 1428466022 /nfs/dbraw/zinc/46/60/22/1428466022.db2.gz BWZMDBDIFHPCHP-UHFFFAOYSA-N 2 0 380.492 3.231 20 0 GGADRP COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000093415832 1410244701 /nfs/dbraw/zinc/24/47/01/1410244701.db2.gz HRASEYAEPWAVRX-QHCPKHFHSA-N 2 0 384.520 3.335 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000093688742 1410260362 /nfs/dbraw/zinc/26/03/62/1410260362.db2.gz GDKBLKZTZKNDJU-UHFFFAOYSA-N 2 0 384.524 3.402 20 0 GGADRP c1cnc(Oc2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2)cn1 ZINC000093735172 1410261664 /nfs/dbraw/zinc/26/16/64/1410261664.db2.gz YQGXDMXNHHDWMF-UHFFFAOYSA-N 2 0 382.508 3.346 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093769471 1410265648 /nfs/dbraw/zinc/26/56/48/1410265648.db2.gz WJFSGZCSGATXAL-UHFFFAOYSA-N 2 0 385.556 3.053 20 0 GGADRP COC(=O)CCn1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000093769317 1410265706 /nfs/dbraw/zinc/26/57/06/1410265706.db2.gz DMPIUPKAXWFZDH-UHFFFAOYSA-N 2 0 390.572 3.151 20 0 GGADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844194 1410274651 /nfs/dbraw/zinc/27/46/51/1410274651.db2.gz OYKKMGXMEYNCIH-WOJBJXKFSA-N 2 0 397.567 3.287 20 0 GGADRP Cc1cc(C)n2c(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc2n1 ZINC000093844322 1410274792 /nfs/dbraw/zinc/27/47/92/1410274792.db2.gz LOQMEXAYWLZGNG-KDURUIRLSA-N 2 0 385.556 3.057 20 0 GGADRP CN(c1ccccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C)C1CC[NH+](C)CC1 ZINC000093864100 1410275246 /nfs/dbraw/zinc/27/52/46/1410275246.db2.gz YJUSWKKGWBGPLQ-QFIPXVFZSA-N 2 0 381.568 3.460 20 0 GGADRP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844195 1410275477 /nfs/dbraw/zinc/27/54/77/1410275477.db2.gz OYKKMGXMEYNCIH-PMACEKPBSA-N 2 0 397.567 3.287 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cn(C)nc3C(C)(C)C)cc2)CC1 ZINC000093947856 1410289155 /nfs/dbraw/zinc/28/91/55/1410289155.db2.gz LXVFTYXBDWRVSQ-UHFFFAOYSA-N 2 0 383.584 3.145 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1N(C)C ZINC000093944914 1410289291 /nfs/dbraw/zinc/28/92/91/1410289291.db2.gz IUSGZDIQJOFJTQ-RXVVDRJESA-N 2 0 394.563 3.301 20 0 GGADRP CCCCn1c(=S)n(CN2CC[NH+](CC(C)C)CC2)nc1[C@H](CC)[NH+](C)C ZINC000096965493 1410340013 /nfs/dbraw/zinc/34/00/13/1410340013.db2.gz USGAOZIORAUBSE-SFHVURJKSA-N 2 0 396.649 3.458 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000097357724 1410366013 /nfs/dbraw/zinc/36/60/13/1410366013.db2.gz RUZPAPBZAAKKBM-GOTSBHOMSA-N 2 0 394.563 3.296 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000097357165 1410366165 /nfs/dbraw/zinc/36/61/65/1410366165.db2.gz RCHJRBHKETWSBC-NQIIRXRSSA-N 2 0 388.556 3.006 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000097437697 1410370013 /nfs/dbraw/zinc/37/00/13/1410370013.db2.gz SBTJACVOGUXDLE-IBGZPJMESA-N 2 0 396.645 3.302 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000097549244 1410375811 /nfs/dbraw/zinc/37/58/11/1410375811.db2.gz RIAYQESQFDWBOL-RPWUZVMVSA-N 2 0 391.559 3.332 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000098033791 1410399084 /nfs/dbraw/zinc/39/90/84/1410399084.db2.gz AICTUKSHKDOZTJ-IBGZPJMESA-N 2 0 380.964 3.242 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1nc2ccccc2s1 ZINC000101518563 1410444040 /nfs/dbraw/zinc/44/40/40/1410444040.db2.gz HKXFJHMECMVVMJ-FLVLSHQESA-N 2 0 386.565 3.184 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101592288 1410474747 /nfs/dbraw/zinc/47/47/47/1410474747.db2.gz TUVQQNILLJNHMP-HXUWFJFHSA-N 2 0 395.595 3.341 20 0 GGADRP C[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000101796639 1410503472 /nfs/dbraw/zinc/50/34/72/1410503472.db2.gz ZEQAUDXXCFVLIR-OAQYLSRUSA-N 2 0 386.584 3.068 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC(C)CC1 ZINC000102005833 1410541896 /nfs/dbraw/zinc/54/18/96/1410541896.db2.gz PEYXQLQRBTWMKX-RTBURBONSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCC(C)CC1 ZINC000102005842 1410542608 /nfs/dbraw/zinc/54/26/08/1410542608.db2.gz ITXVMPJBOCIDPX-GOSISDBHSA-N 2 0 392.613 3.380 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000102559498 1410651681 /nfs/dbraw/zinc/65/16/81/1410651681.db2.gz BRBIIVLNHIAYNX-KRWDZBQOSA-N 2 0 377.529 3.133 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176876040 1428508830 /nfs/dbraw/zinc/50/88/30/1428508830.db2.gz QKYTYTMFGLCBCS-UHFFFAOYSA-N 2 0 384.524 3.149 20 0 GGADRP COc1ccccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000102781542 1410749997 /nfs/dbraw/zinc/74/99/97/1410749997.db2.gz YYOBOBSTHLPPJA-UHFFFAOYSA-N 2 0 384.520 3.475 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000102795359 1410760907 /nfs/dbraw/zinc/76/09/07/1410760907.db2.gz VPEBKZFENYZTRY-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000102846095 1410800237 /nfs/dbraw/zinc/80/02/37/1410800237.db2.gz CVFSFFGNZYQLNV-QHCPKHFHSA-N 2 0 392.547 3.085 20 0 GGADRP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000102935464 1410809795 /nfs/dbraw/zinc/80/97/95/1410809795.db2.gz AFPFPYBFLUEECB-FUHWJXTLSA-N 2 0 397.567 3.386 20 0 GGADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn(-c4ccc(F)cc4)c3)cc2)CC1 ZINC000102938736 1410810175 /nfs/dbraw/zinc/81/01/75/1410810175.db2.gz CPOLAIZWULRQKB-UHFFFAOYSA-N 2 0 393.510 3.049 20 0 GGADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000103173585 1410834372 /nfs/dbraw/zinc/83/43/72/1410834372.db2.gz RZYYHSUQESNTEB-JOCHJYFZSA-N 2 0 379.548 3.177 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000103177790 1410834710 /nfs/dbraw/zinc/83/47/10/1410834710.db2.gz MPZUKVWBTUORPC-UHFFFAOYSA-N 2 0 390.572 3.126 20 0 GGADRP COc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc2C)cc1 ZINC000103211131 1410837645 /nfs/dbraw/zinc/83/76/45/1410837645.db2.gz QAUFXKPMHKVDQJ-UHFFFAOYSA-N 2 0 389.565 3.298 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000103228026 1410838606 /nfs/dbraw/zinc/83/86/06/1410838606.db2.gz GRJLDEHOSMBLAF-OAQYLSRUSA-N 2 0 388.577 3.470 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103268348 1410842130 /nfs/dbraw/zinc/84/21/30/1410842130.db2.gz INLPQEWKXLUOTP-QHCPKHFHSA-N 2 0 394.563 3.112 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103301025 1410844284 /nfs/dbraw/zinc/84/42/84/1410844284.db2.gz NKFHKHXIMJVGGR-NRFANRHFSA-N 2 0 390.572 3.109 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000103481170 1410862636 /nfs/dbraw/zinc/86/26/36/1410862636.db2.gz KVSVRMLAVKMNNZ-CALCHBBNSA-N 2 0 393.959 3.490 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)c2)CC1 ZINC000103516846 1410865825 /nfs/dbraw/zinc/86/58/25/1410865825.db2.gz PTNRPXPRVHEJGB-UHFFFAOYSA-N 2 0 386.584 3.402 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000104349614 1410892905 /nfs/dbraw/zinc/89/29/05/1410892905.db2.gz HBEQAYRKWAJOCA-SFHVURJKSA-N 2 0 377.529 3.229 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000104409701 1410895034 /nfs/dbraw/zinc/89/50/34/1410895034.db2.gz MKSZODSLNWKWHG-FQEVSTJZSA-N 2 0 376.520 3.169 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1)C(C)C ZINC000104521193 1410898861 /nfs/dbraw/zinc/89/88/61/1410898861.db2.gz HGLALEOCQHVWRD-UHFFFAOYSA-N 2 0 396.535 3.283 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105077422 1411024810 /nfs/dbraw/zinc/02/48/10/1411024810.db2.gz YKUSACHRSITCQO-VQTJNVASSA-N 2 0 388.556 3.467 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000105077933 1411025026 /nfs/dbraw/zinc/02/50/26/1411025026.db2.gz OFLKRIZZMJMHRE-LAUBAEHRSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000105077926 1411025485 /nfs/dbraw/zinc/02/54/85/1411025485.db2.gz OFLKRIZZMJMHRE-UWJYYQICSA-N 2 0 388.556 3.004 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000105083026 1411025765 /nfs/dbraw/zinc/02/57/65/1411025765.db2.gz MOCVYDMZNVDLIA-VQTJNVASSA-N 2 0 376.520 3.088 20 0 GGADRP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000105093663 1411027941 /nfs/dbraw/zinc/02/79/41/1411027941.db2.gz LPYYALMGBXXEFG-IBGZPJMESA-N 2 0 378.948 3.040 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000105112849 1411029995 /nfs/dbraw/zinc/02/99/95/1411029995.db2.gz OMVYAOPWWFEYGL-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000105113363 1411030398 /nfs/dbraw/zinc/03/03/98/1411030398.db2.gz PAHGYPFSZKMLDN-VQTJNVASSA-N 2 0 386.584 3.450 20 0 GGADRP CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCc2ccccc2C1 ZINC000105126183 1411031519 /nfs/dbraw/zinc/03/15/19/1411031519.db2.gz WBARUAPVIRULDL-UGKGYDQZSA-N 2 0 386.584 3.243 20 0 GGADRP CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCc2ccccc2C1 ZINC000105126188 1411032162 /nfs/dbraw/zinc/03/21/62/1411032162.db2.gz WBARUAPVIRULDL-KNQAVFIVSA-N 2 0 386.584 3.243 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000105165745 1411037313 /nfs/dbraw/zinc/03/73/13/1411037313.db2.gz PGPDXNQSVYDVJJ-YLJYHZDGSA-N 2 0 388.556 3.004 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCC2)o1 ZINC000105222172 1411043685 /nfs/dbraw/zinc/04/36/85/1411043685.db2.gz INGFAFUYOPSFIR-OALUTQOASA-N 2 0 376.545 3.145 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCC2)o1 ZINC000105222177 1411043879 /nfs/dbraw/zinc/04/38/79/1411043879.db2.gz INGFAFUYOPSFIR-MOPGFXCFSA-N 2 0 376.545 3.145 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000105273548 1411049099 /nfs/dbraw/zinc/04/90/99/1411049099.db2.gz SGSXOUCHURSEPJ-QGZVFWFLSA-N 2 0 396.526 3.158 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000105441903 1411066388 /nfs/dbraw/zinc/06/63/88/1411066388.db2.gz VCJCMPXEVXYPOY-INIZCTEOSA-N 2 0 375.948 3.093 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105441616 1411066639 /nfs/dbraw/zinc/06/66/39/1411066639.db2.gz RKVLIMQBTZJCRU-HXUWFJFHSA-N 2 0 382.552 3.024 20 0 GGADRP Cc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000105439813 1411066825 /nfs/dbraw/zinc/06/68/25/1411066825.db2.gz JSPWIZHOAXEMGB-IBGZPJMESA-N 2 0 396.579 3.251 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000105441621 1411066893 /nfs/dbraw/zinc/06/68/93/1411066893.db2.gz RDNYLIKMCLCLRA-HXUWFJFHSA-N 2 0 382.552 3.024 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000105440949 1411067049 /nfs/dbraw/zinc/06/70/49/1411067049.db2.gz JIMLRTMKQWXWBG-SFHVURJKSA-N 2 0 395.551 3.197 20 0 GGADRP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000105451488 1411067363 /nfs/dbraw/zinc/06/73/63/1411067363.db2.gz SDNGALOCWQTGTE-UHFFFAOYSA-N 2 0 389.975 3.197 20 0 GGADRP CCOc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc(Cl)c1OC ZINC000105442354 1411067472 /nfs/dbraw/zinc/06/74/72/1411067472.db2.gz KDABWGCZPYWWKR-MRXNPFEDSA-N 2 0 383.964 3.111 20 0 GGADRP C[NH+]1CCC(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000105459204 1411068005 /nfs/dbraw/zinc/06/80/05/1411068005.db2.gz UYVMYWMYCSAQAI-UHFFFAOYSA-N 2 0 375.520 3.425 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000105464749 1411068912 /nfs/dbraw/zinc/06/89/12/1411068912.db2.gz WDEDEAMRZFZNGS-KRWDZBQOSA-N 2 0 398.526 3.178 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc3ccccn23)CC1 ZINC000105464679 1411069138 /nfs/dbraw/zinc/06/91/38/1411069138.db2.gz WINBTOGMAVPCNQ-KRWDZBQOSA-N 2 0 381.499 3.466 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000105464746 1411069186 /nfs/dbraw/zinc/06/91/86/1411069186.db2.gz WDEDEAMRZFZNGS-QGZVFWFLSA-N 2 0 398.526 3.178 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OCC ZINC000105467411 1411070236 /nfs/dbraw/zinc/07/02/36/1411070236.db2.gz LHUJEHUPTQGWMA-MRXNPFEDSA-N 2 0 383.964 3.253 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000105476120 1411070502 /nfs/dbraw/zinc/07/05/02/1411070502.db2.gz IUYJPFBGRHTCJC-UHFFFAOYSA-N 2 0 395.595 3.342 20 0 GGADRP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000105476529 1411070855 /nfs/dbraw/zinc/07/08/55/1411070855.db2.gz WSIWABKHXPNFBQ-UHFFFAOYSA-N 2 0 396.579 3.395 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000105495742 1411073107 /nfs/dbraw/zinc/07/31/07/1411073107.db2.gz UYQCGDBRBKRRPM-UHFFFAOYSA-N 2 0 384.520 3.340 20 0 GGADRP Cc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000176989149 1428542843 /nfs/dbraw/zinc/54/28/43/1428542843.db2.gz IDNWZCUMDRSIGD-UHFFFAOYSA-N 2 0 396.579 3.393 20 0 GGADRP c1nc2ccccn2c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176985401 1428541429 /nfs/dbraw/zinc/54/14/29/1428541429.db2.gz QDYAKNILUMEINY-UHFFFAOYSA-N 2 0 378.520 3.495 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000106484552 1411223922 /nfs/dbraw/zinc/22/39/22/1411223922.db2.gz DXKUAZIKLVAUHH-INIZCTEOSA-N 2 0 375.463 3.483 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000106484447 1411224270 /nfs/dbraw/zinc/22/42/70/1411224270.db2.gz JQEIYQKCLPBODO-QGZVFWFLSA-N 2 0 388.943 3.040 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000106484443 1411224723 /nfs/dbraw/zinc/22/47/23/1411224723.db2.gz JQEIYQKCLPBODO-KRWDZBQOSA-N 2 0 388.943 3.040 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106486993 1411225891 /nfs/dbraw/zinc/22/58/91/1411225891.db2.gz KWPCHFOFLKQAGU-UHFFFAOYSA-N 2 0 390.959 3.147 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000106519168 1411229074 /nfs/dbraw/zinc/22/90/74/1411229074.db2.gz DFWCPLKFHISNFQ-UHFFFAOYSA-N 2 0 392.975 3.336 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518945 1411229642 /nfs/dbraw/zinc/22/96/42/1411229642.db2.gz NHRPCOJZAOJGLB-SJLPKXTDSA-N 2 0 376.570 3.201 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518952 1411229840 /nfs/dbraw/zinc/22/98/40/1411229840.db2.gz NHRPCOJZAOJGLB-WMZOPIPTSA-N 2 0 376.570 3.201 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522666 1411230661 /nfs/dbraw/zinc/23/06/61/1411230661.db2.gz QXLLWVWUELMYOD-NRFANRHFSA-N 2 0 384.568 3.489 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106522619 1411230770 /nfs/dbraw/zinc/23/07/70/1411230770.db2.gz FMYQFWVALUGZSI-NRFANRHFSA-N 2 0 384.568 3.489 20 0 GGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000106537792 1411237727 /nfs/dbraw/zinc/23/77/27/1411237727.db2.gz DWXHPOKZZARLDM-HXUWFJFHSA-N 2 0 388.531 3.106 20 0 GGADRP CC(C)[N@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106555456 1411244857 /nfs/dbraw/zinc/24/48/57/1411244857.db2.gz HITHDCFFVZPTSK-UHFFFAOYSA-N 2 0 380.964 3.191 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)CC1 ZINC000107372008 1411366151 /nfs/dbraw/zinc/36/61/51/1411366151.db2.gz VWFUKPKQBRKMBJ-QHCPKHFHSA-N 2 0 392.547 3.151 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000107385989 1411369440 /nfs/dbraw/zinc/36/94/40/1411369440.db2.gz DMJQEULCZXFDHE-UHFFFAOYSA-N 2 0 384.524 3.400 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700447 1411399538 /nfs/dbraw/zinc/39/95/38/1411399538.db2.gz AIGHAROAJWYMFN-FCHUYYIVSA-N 2 0 380.536 3.426 20 0 GGADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000108302672 1411467909 /nfs/dbraw/zinc/46/79/09/1411467909.db2.gz CPMAPMUGXHZWPX-QUCCMNQESA-N 2 0 395.469 3.042 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000108414303 1411494221 /nfs/dbraw/zinc/49/42/21/1411494221.db2.gz JWAVLZDPBGYDCH-UHFFFAOYSA-N 2 0 378.605 3.406 20 0 GGADRP CSc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420739 1411495268 /nfs/dbraw/zinc/49/52/68/1411495268.db2.gz CGJZFSICNUACQV-HXUWFJFHSA-N 2 0 383.561 3.396 20 0 GGADRP CC(C)Oc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420651 1411496086 /nfs/dbraw/zinc/49/60/86/1411496086.db2.gz ZZWAAVSUTHYKDZ-QFIPXVFZSA-N 2 0 395.547 3.461 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421002 1411497146 /nfs/dbraw/zinc/49/71/46/1411497146.db2.gz PBVNHUBPCJIIFU-OAQYLSRUSA-N 2 0 381.520 3.072 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541050 1411533873 /nfs/dbraw/zinc/53/38/73/1411533873.db2.gz UYVUXMLQNIJLIP-ROUUACIJSA-N 2 0 378.586 3.162 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000108551979 1411537386 /nfs/dbraw/zinc/53/73/86/1411537386.db2.gz WCWMRTRTRGIDJR-LPHOPBHVSA-N 2 0 378.948 3.118 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339906 1411744645 /nfs/dbraw/zinc/74/46/45/1411744645.db2.gz MUOVOAQYHMHEFD-UNMCSNQZSA-N 2 0 383.511 3.457 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000109443226 1411765225 /nfs/dbraw/zinc/76/52/25/1411765225.db2.gz JOPGUUUQTBVTSE-XQBPLPMBSA-N 2 0 387.568 3.177 20 0 GGADRP CC[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC000109481152 1411771800 /nfs/dbraw/zinc/77/18/00/1411771800.db2.gz WZNZKFZYBFGBQG-OAQYLSRUSA-N 2 0 386.584 3.339 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000109929522 1411818913 /nfs/dbraw/zinc/81/89/13/1411818913.db2.gz LYNINOFHSUVTGP-QHCPKHFHSA-N 2 0 394.563 3.008 20 0 GGADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000110350431 1411845767 /nfs/dbraw/zinc/84/57/67/1411845767.db2.gz WSDZEQSTAMCXIO-LJQANCHMSA-N 2 0 397.588 3.486 20 0 GGADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000110350427 1411845991 /nfs/dbraw/zinc/84/59/91/1411845991.db2.gz WSDZEQSTAMCXIO-IBGZPJMESA-N 2 0 397.588 3.486 20 0 GGADRP Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000111163428 1411892844 /nfs/dbraw/zinc/89/28/44/1411892844.db2.gz JBQOJOIRYUPKAL-UHFFFAOYSA-N 2 0 392.345 3.247 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000111482376 1411978112 /nfs/dbraw/zinc/97/81/12/1411978112.db2.gz DWOVWULKAOEVFL-ZWKOTPCHSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000111742388 1412022135 /nfs/dbraw/zinc/02/21/35/1412022135.db2.gz HJHXFNCIHVLGDY-UHFFFAOYSA-N 2 0 390.597 3.272 20 0 GGADRP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177188741 1428622145 /nfs/dbraw/zinc/62/21/45/1428622145.db2.gz ZIOKKECBHSEBPG-LEWJYISDSA-N 2 0 387.593 3.259 20 0 GGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000111881252 1412043047 /nfs/dbraw/zinc/04/30/47/1412043047.db2.gz PXQKPTPYWOCKKA-LJQANCHMSA-N 2 0 389.588 3.055 20 0 GGADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000112217092 1412094745 /nfs/dbraw/zinc/09/47/45/1412094745.db2.gz DKNATXBXVDAIKZ-UHFFFAOYSA-N 2 0 394.629 3.008 20 0 GGADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)c2cc1OCC ZINC000112333126 1412132356 /nfs/dbraw/zinc/13/23/56/1412132356.db2.gz LOGIWWKMPGGQMM-SFHVURJKSA-N 2 0 398.551 3.248 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710183 1412200875 /nfs/dbraw/zinc/20/08/75/1412200875.db2.gz SPNOICABPLOUQX-AWEZNQCLSA-N 2 0 375.891 3.305 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000177215659 1428636740 /nfs/dbraw/zinc/63/67/40/1428636740.db2.gz HNEPDHXMJHKCQS-MDYRTPRTSA-N 2 0 395.469 3.182 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000113197840 1412273542 /nfs/dbraw/zinc/27/35/42/1412273542.db2.gz SJBGBMXJSJGCBZ-HXUWFJFHSA-N 2 0 375.582 3.230 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000113197843 1412273676 /nfs/dbraw/zinc/27/36/76/1412273676.db2.gz SJBGBMXJSJGCBZ-FQEVSTJZSA-N 2 0 375.582 3.230 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220683 1428638362 /nfs/dbraw/zinc/63/83/62/1428638362.db2.gz KMOOGTYQMJAXMA-SFHVURJKSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220484 1428638492 /nfs/dbraw/zinc/63/84/92/1428638492.db2.gz SMJGFSLGEUNPIG-ROUUACIJSA-N 2 0 381.586 3.242 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000113595032 1412319344 /nfs/dbraw/zinc/31/93/44/1412319344.db2.gz DADKRAQNBFGOGV-RTBURBONSA-N 2 0 384.568 3.434 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000113595027 1412319597 /nfs/dbraw/zinc/31/95/97/1412319597.db2.gz DADKRAQNBFGOGV-MOPGFXCFSA-N 2 0 384.568 3.434 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000113595029 1412319630 /nfs/dbraw/zinc/31/96/30/1412319630.db2.gz DADKRAQNBFGOGV-RBUKOAKNSA-N 2 0 384.568 3.434 20 0 GGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000113625265 1412323284 /nfs/dbraw/zinc/32/32/84/1412323284.db2.gz YBALIPKNCJZLMH-GOSISDBHSA-N 2 0 381.524 3.043 20 0 GGADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177230891 1428642863 /nfs/dbraw/zinc/64/28/63/1428642863.db2.gz BFTDHUNBKAYFHO-UHFFFAOYSA-N 2 0 398.595 3.112 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000113997602 1412365557 /nfs/dbraw/zinc/36/55/57/1412365557.db2.gz NSWQNNSXMHFIQH-SFHVURJKSA-N 2 0 399.457 3.354 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000114455355 1412436656 /nfs/dbraw/zinc/43/66/56/1412436656.db2.gz HDRROHGKLZKUMF-UHFFFAOYSA-N 2 0 375.532 3.069 20 0 GGADRP COc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C2CC2)cc1 ZINC000114455618 1412436785 /nfs/dbraw/zinc/43/67/85/1412436785.db2.gz LZBAGAPOIJWYPS-GOSISDBHSA-N 2 0 387.568 3.285 20 0 GGADRP C(CN1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000114716174 1412509601 /nfs/dbraw/zinc/50/96/01/1412509601.db2.gz FEEIPOKNTVCSBK-UHFFFAOYSA-N 2 0 390.660 3.382 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000114748019 1412517783 /nfs/dbraw/zinc/51/77/83/1412517783.db2.gz QKEZPMPJQIIJOT-MAUKXSAKSA-N 2 0 383.458 3.314 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000114748006 1412518075 /nfs/dbraw/zinc/51/80/75/1412518075.db2.gz OAWZEENNSAPBMA-MAUKXSAKSA-N 2 0 383.458 3.171 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000114748176 1412518098 /nfs/dbraw/zinc/51/80/98/1412518098.db2.gz JEPHLZYGPJKGAI-GPMSIDNRSA-N 2 0 397.485 3.417 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114783432 1412522693 /nfs/dbraw/zinc/52/26/93/1412522693.db2.gz KTZBNTZKXLWUGB-JOCHJYFZSA-N 2 0 380.536 3.212 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000114916217 1412546796 /nfs/dbraw/zinc/54/67/96/1412546796.db2.gz IXNVROKFSOWFCX-UHFFFAOYSA-N 2 0 382.552 3.330 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000115640094 1412741519 /nfs/dbraw/zinc/74/15/19/1412741519.db2.gz RGZAAEOFNNGMJX-XLIONFOSSA-N 2 0 376.545 3.007 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000115790470 1412789669 /nfs/dbraw/zinc/78/96/69/1412789669.db2.gz KJAJVPCMJUDMAU-NQIIRXRSSA-N 2 0 390.572 3.061 20 0 GGADRP C[NH+](C)CC[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(C)(C)C ZINC000116129434 1412834846 /nfs/dbraw/zinc/83/48/46/1412834846.db2.gz FZAXBGNXXYMENY-LJQANCHMSA-N 2 0 377.598 3.332 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000116434717 1412859549 /nfs/dbraw/zinc/85/95/49/1412859549.db2.gz UASBDUHLMVWRQS-OAQYLSRUSA-N 2 0 383.536 3.390 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000116434585 1412859723 /nfs/dbraw/zinc/85/97/23/1412859723.db2.gz PRQQROKNYRHBQV-LJQANCHMSA-N 2 0 393.535 3.139 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000116440901 1412861313 /nfs/dbraw/zinc/86/13/13/1412861313.db2.gz NUWHAOOFAJQMGH-OAQYLSRUSA-N 2 0 383.511 3.416 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000116449630 1412862016 /nfs/dbraw/zinc/86/20/16/1412862016.db2.gz JJJQJQDLCBJYLX-SFHLNBCPSA-N 2 0 386.584 3.166 20 0 GGADRP C[NH+](C)CC[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C(C)(C)C ZINC000116566860 1412878622 /nfs/dbraw/zinc/87/86/22/1412878622.db2.gz DKFRQNXFKLKNJV-IBGZPJMESA-N 2 0 378.561 3.252 20 0 GGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000177342774 1428699549 /nfs/dbraw/zinc/69/95/49/1428699549.db2.gz PWTHAQLGOBCYPU-UHFFFAOYSA-N 2 0 380.536 3.207 20 0 GGADRP CN(CC[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21)C1CC[NH+](C)CC1 ZINC000177377640 1428710558 /nfs/dbraw/zinc/71/05/58/1428710558.db2.gz VWJBQJOBUSFWRD-UHFFFAOYSA-N 2 0 391.563 3.459 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccsc1 ZINC000118771729 1413218210 /nfs/dbraw/zinc/21/82/10/1413218210.db2.gz YJLOQBIZGPSRID-IBGZPJMESA-N 2 0 393.597 3.282 20 0 GGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000118814006 1413230549 /nfs/dbraw/zinc/23/05/49/1413230549.db2.gz NZXGCVBRZNXYTJ-IBGZPJMESA-N 2 0 390.597 3.083 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)CC1 ZINC000118834570 1413237980 /nfs/dbraw/zinc/23/79/80/1413237980.db2.gz JDBRTCRSAZSWJL-FQEVSTJZSA-N 2 0 397.563 3.437 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868054 1413255776 /nfs/dbraw/zinc/25/57/76/1413255776.db2.gz FDOGFUTZYWRNHG-UHFFFAOYSA-N 2 0 397.567 3.481 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 ZINC000119038435 1413312789 /nfs/dbraw/zinc/31/27/89/1413312789.db2.gz OAFFFNACBYHZTP-XMMPIXPASA-N 2 0 391.559 3.429 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)CC1 ZINC000119038266 1413312954 /nfs/dbraw/zinc/31/29/54/1413312954.db2.gz OAFFFNACBYHZTP-DEOSSOPVSA-N 2 0 391.559 3.429 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000119184917 1413369719 /nfs/dbraw/zinc/36/97/19/1413369719.db2.gz GXVLABOWKLPVCU-RTBURBONSA-N 2 0 376.545 3.002 20 0 GGADRP CCc1noc(C)c1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000119402764 1413435232 /nfs/dbraw/zinc/43/52/32/1413435232.db2.gz HMCJYIBESVDBAA-UHFFFAOYSA-N 2 0 398.551 3.006 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000119423797 1413443026 /nfs/dbraw/zinc/44/30/26/1413443026.db2.gz ZDPIYJXBQXIXBA-VXKWHMMOSA-N 2 0 381.520 3.429 20 0 GGADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000119612994 1413503422 /nfs/dbraw/zinc/50/34/22/1413503422.db2.gz KZXCEBBDQFXVBV-QKLQHJQFSA-N 2 0 381.586 3.146 20 0 GGADRP CC1(C)C[C@@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)O1 ZINC000119829892 1413585010 /nfs/dbraw/zinc/58/50/10/1413585010.db2.gz JTFXZTKDKLLBKH-GOSISDBHSA-N 2 0 391.581 3.110 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000119880349 1413603102 /nfs/dbraw/zinc/60/31/02/1413603102.db2.gz VZQUAUKAXAFJCB-WIYYLYMNSA-N 2 0 376.589 3.157 20 0 GGADRP C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC[NH2+]C1 ZINC000119900187 1413610594 /nfs/dbraw/zinc/61/05/94/1413610594.db2.gz MZIGDHJLMYRUMS-LJQANCHMSA-N 2 0 383.458 3.129 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1COc1ccccc1 ZINC000119947770 1413628682 /nfs/dbraw/zinc/62/86/82/1413628682.db2.gz QZNGDHDTPGUMHE-UHFFFAOYSA-N 2 0 384.524 3.223 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000119987681 1413643092 /nfs/dbraw/zinc/64/30/92/1413643092.db2.gz LBEMOYQDGNVUJD-UHFFFAOYSA-N 2 0 395.979 3.287 20 0 GGADRP Cc1csc(-c2cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2)n1 ZINC000120051352 1413668728 /nfs/dbraw/zinc/66/87/28/1413668728.db2.gz BBFXAFPSJLRGBJ-UHFFFAOYSA-N 2 0 375.542 3.076 20 0 GGADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000120110542 1413691946 /nfs/dbraw/zinc/69/19/46/1413691946.db2.gz XWIPVNJGXDIONM-SFHVURJKSA-N 2 0 380.602 3.378 20 0 GGADRP COc1ccccc1-c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120122598 1413696099 /nfs/dbraw/zinc/69/60/99/1413696099.db2.gz FDAFZUMVQNRQMR-UHFFFAOYSA-N 2 0 384.524 3.319 20 0 GGADRP Cc1ccc(OCC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000120203427 1413729888 /nfs/dbraw/zinc/72/98/88/1413729888.db2.gz IOJAFILYXPAPEI-UHFFFAOYSA-N 2 0 387.568 3.078 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OCC(F)F ZINC000120236788 1413745148 /nfs/dbraw/zinc/74/51/48/1413745148.db2.gz FTMROZCVKXRNBN-MRXNPFEDSA-N 2 0 398.498 3.210 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000120497094 1413830599 /nfs/dbraw/zinc/83/05/99/1413830599.db2.gz BDVMCBBBZWWNRQ-QGZVFWFLSA-N 2 0 397.519 3.416 20 0 GGADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000120625544 1413858921 /nfs/dbraw/zinc/85/89/21/1413858921.db2.gz WJVULYCIXDEHGP-RDPSFJRHSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120713189 1413882198 /nfs/dbraw/zinc/88/21/98/1413882198.db2.gz UWDGZCNGHXXLQF-GCJKJVERSA-N 2 0 380.536 3.210 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120713486 1413882812 /nfs/dbraw/zinc/88/28/12/1413882812.db2.gz UWDGZCNGHXXLQF-XMSQKQJNSA-N 2 0 380.536 3.210 20 0 GGADRP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[NH+]1CCCCC1 ZINC000120722240 1413885164 /nfs/dbraw/zinc/88/51/64/1413885164.db2.gz FJXJGMXPLIMJBU-JOCHJYFZSA-N 2 0 387.568 3.340 20 0 GGADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000177487649 1428764190 /nfs/dbraw/zinc/76/41/90/1428764190.db2.gz HMTNZGJQWMOWAF-AQNXPRMDSA-N 2 0 381.605 3.232 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000177487972 1428764497 /nfs/dbraw/zinc/76/44/97/1428764497.db2.gz OAXCMKBXDGOBTG-KNKQGSTJSA-N 2 0 387.568 3.027 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000177490325 1428765915 /nfs/dbraw/zinc/76/59/15/1428765915.db2.gz JQWARNLPIGUKIC-HSALFYBXSA-N 2 0 396.620 3.026 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000120898505 1413941698 /nfs/dbraw/zinc/94/16/98/1413941698.db2.gz PMXKPCBADFVZFO-VQTJNVASSA-N 2 0 386.584 3.489 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000120898662 1413941775 /nfs/dbraw/zinc/94/17/75/1413941775.db2.gz PMXKPCBADFVZFO-PMACEKPBSA-N 2 0 386.584 3.489 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@H](C)O1 ZINC000177495594 1428768767 /nfs/dbraw/zinc/76/87/67/1428768767.db2.gz LFVSGUXGLDKNLE-KDURUIRLSA-N 2 0 387.568 3.100 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000177496021 1428769256 /nfs/dbraw/zinc/76/92/56/1428769256.db2.gz JPDFNFFBYADZPG-QZTJIDSGSA-N 2 0 391.531 3.366 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)C[C@H](C)O1 ZINC000177497365 1428770091 /nfs/dbraw/zinc/77/00/91/1428770091.db2.gz NRAGOJFVTOYNFS-CALCHBBNSA-N 2 0 392.515 3.404 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000121039004 1413985736 /nfs/dbraw/zinc/98/57/36/1413985736.db2.gz HYEYPBJTZZBOFP-UHFFFAOYSA-N 2 0 379.508 3.015 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000121092534 1414004555 /nfs/dbraw/zinc/00/45/55/1414004555.db2.gz YXJSDVZDRCOXLC-OAHLLOKOSA-N 2 0 377.529 3.273 20 0 GGADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000121112480 1414011772 /nfs/dbraw/zinc/01/17/72/1414011772.db2.gz MFQQYVBBYPNSCB-HNNXBMFYSA-N 2 0 376.932 3.255 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000177508531 1428775163 /nfs/dbraw/zinc/77/51/63/1428775163.db2.gz DRCNFVWLRQHSQA-QZTJIDSGSA-N 2 0 391.531 3.366 20 0 GGADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121172388 1414032745 /nfs/dbraw/zinc/03/27/45/1414032745.db2.gz AEEMBKXMEUISAP-QHCPKHFHSA-N 2 0 388.552 3.321 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000121174743 1414033185 /nfs/dbraw/zinc/03/31/85/1414033185.db2.gz DUFGKHYFRXKNFH-HZPDHXFCSA-N 2 0 385.499 3.221 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000121174351 1414033279 /nfs/dbraw/zinc/03/32/79/1414033279.db2.gz DUFGKHYFRXKNFH-HOTGVXAUSA-N 2 0 385.499 3.221 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cc2)CC1 ZINC000121181655 1414035814 /nfs/dbraw/zinc/03/58/14/1414035814.db2.gz XRJDJVRFSKXJOO-UHFFFAOYSA-N 2 0 398.551 3.014 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000121190554 1414038883 /nfs/dbraw/zinc/03/88/83/1414038883.db2.gz CSXGRAKAXHYISR-IBGZPJMESA-N 2 0 393.019 3.168 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121194697 1414040039 /nfs/dbraw/zinc/04/00/39/1414040039.db2.gz NUFVBYOBMRNCKG-MSOLQXFVSA-N 2 0 387.547 3.244 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000121194946 1414040344 /nfs/dbraw/zinc/04/03/44/1414040344.db2.gz NUFVBYOBMRNCKG-QZTJIDSGSA-N 2 0 387.547 3.244 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000177505768 1428773769 /nfs/dbraw/zinc/77/37/69/1428773769.db2.gz UFUDIURMNQOZJN-PWHSHALESA-N 2 0 399.579 3.218 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312690 1414080064 /nfs/dbraw/zinc/08/00/64/1414080064.db2.gz AQENFQMDSYVPRD-OAQYLSRUSA-N 2 0 381.564 3.428 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000121317342 1414081564 /nfs/dbraw/zinc/08/15/64/1414081564.db2.gz VHXLVIBZVPQUDK-BWAGFHJFSA-N 2 0 388.552 3.463 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000121397698 1414107680 /nfs/dbraw/zinc/10/76/80/1414107680.db2.gz VQOZUNBAONVOHC-HNAYVOBHSA-N 2 0 385.474 3.436 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121448729 1414127260 /nfs/dbraw/zinc/12/72/60/1414127260.db2.gz PEKQNRLDMWBCJI-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000121490338 1414147248 /nfs/dbraw/zinc/14/72/48/1414147248.db2.gz UNXWURKLKFXLSZ-KBPBESRZSA-N 2 0 378.904 3.497 20 0 GGADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000121573254 1414182924 /nfs/dbraw/zinc/18/29/24/1414182924.db2.gz PMUQJLOLGGWRJK-UHFFFAOYSA-N 2 0 387.524 3.332 20 0 GGADRP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121622958 1414204264 /nfs/dbraw/zinc/20/42/64/1414204264.db2.gz VBZTZPHUSSBYAA-UHFFFAOYSA-N 2 0 376.520 3.325 20 0 GGADRP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121656841 1414214096 /nfs/dbraw/zinc/21/40/96/1414214096.db2.gz CXLOTZZPMZZHGA-MRXNPFEDSA-N 2 0 388.581 3.307 20 0 GGADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121668952 1414217154 /nfs/dbraw/zinc/21/71/54/1414217154.db2.gz AHZUMSWLOAWBRN-JOCHJYFZSA-N 2 0 387.568 3.413 20 0 GGADRP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121679793 1414221065 /nfs/dbraw/zinc/22/10/65/1414221065.db2.gz PZJLOXGSGWYAMM-IBGZPJMESA-N 2 0 387.568 3.288 20 0 GGADRP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCCN1CC(F)(F)F ZINC000121678978 1414221127 /nfs/dbraw/zinc/22/11/27/1414221127.db2.gz WZEYLFSQCPGTEQ-KRWDZBQOSA-N 2 0 375.479 3.128 20 0 GGADRP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121751794 1414246043 /nfs/dbraw/zinc/24/60/43/1414246043.db2.gz LSYMYSVCMBSKMD-QFIPXVFZSA-N 2 0 388.552 3.217 20 0 GGADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121764770 1414249705 /nfs/dbraw/zinc/24/97/05/1414249705.db2.gz OBCSASXLXBQQIX-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121779609 1414254219 /nfs/dbraw/zinc/25/42/19/1414254219.db2.gz HDBACHLKCZTNDG-PMACEKPBSA-N 2 0 398.595 3.413 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000121839208 1414274953 /nfs/dbraw/zinc/27/49/53/1414274953.db2.gz KRFLQFYEUQIGMW-SBHAEUEKSA-N 2 0 384.568 3.023 20 0 GGADRP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121941361 1414316400 /nfs/dbraw/zinc/31/64/00/1414316400.db2.gz VGOVNULGBNZHSY-HXUWFJFHSA-N 2 0 385.552 3.496 20 0 GGADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122081761 1414358258 /nfs/dbraw/zinc/35/82/58/1414358258.db2.gz KDSGJSOISNDDKW-QFIPXVFZSA-N 2 0 392.547 3.326 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)[C@H](C)C1 ZINC000122229180 1414394847 /nfs/dbraw/zinc/39/48/47/1414394847.db2.gz ZPRDSNPHBZYELH-IKGGRYGDSA-N 2 0 396.963 3.179 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000122293604 1414415382 /nfs/dbraw/zinc/41/53/82/1414415382.db2.gz YBRYAUIUAWREAY-KRWDZBQOSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000122711960 1414545393 /nfs/dbraw/zinc/54/53/93/1414545393.db2.gz VOVRHRKZADAYJI-KSSFIOAISA-N 2 0 381.467 3.103 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000122725961 1414550159 /nfs/dbraw/zinc/55/01/59/1414550159.db2.gz ZINFFJCJXCLEMC-DLBZAZTESA-N 2 0 377.529 3.275 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000122924178 1414598399 /nfs/dbraw/zinc/59/83/99/1414598399.db2.gz UYEHFISFWXFKAE-XLIONFOSSA-N 2 0 395.588 3.398 20 0 GGADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000123040153 1414625477 /nfs/dbraw/zinc/62/54/77/1414625477.db2.gz GKLKRIJGFPDOIO-QGZVFWFLSA-N 2 0 387.549 3.041 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123073995 1414634003 /nfs/dbraw/zinc/63/40/03/1414634003.db2.gz PWMAEJQSYZPGOB-KRWDZBQOSA-N 2 0 387.549 3.041 20 0 GGADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123074198 1414634018 /nfs/dbraw/zinc/63/40/18/1414634018.db2.gz PWMAEJQSYZPGOB-QGZVFWFLSA-N 2 0 387.549 3.041 20 0 GGADRP COc1ccc([C@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123072306 1414634041 /nfs/dbraw/zinc/63/40/41/1414634041.db2.gz CQHHXKBWVZCNSF-HSZRJFAPSA-N 2 0 383.536 3.049 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000123106467 1414643706 /nfs/dbraw/zinc/64/37/06/1414643706.db2.gz YUCUATOCPGAQTN-QGZVFWFLSA-N 2 0 398.517 3.191 20 0 GGADRP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000123165082 1414658010 /nfs/dbraw/zinc/65/80/10/1414658010.db2.gz HFUCOPKVBZRBEC-INIZCTEOSA-N 2 0 377.529 3.085 20 0 GGADRP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123221731 1414671351 /nfs/dbraw/zinc/67/13/51/1414671351.db2.gz KNRWPWGGSXXEIY-INIZCTEOSA-N 2 0 381.511 3.066 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123256520 1414680330 /nfs/dbraw/zinc/68/03/30/1414680330.db2.gz PNWVKMXBLRKMQY-FQEVSTJZSA-N 2 0 397.611 3.345 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177666927 1428828077 /nfs/dbraw/zinc/82/80/77/1428828077.db2.gz FNTYOARVFUBFGN-UHFFFAOYSA-N 2 0 381.520 3.369 20 0 GGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CN(C)Cc3ccccc3)c2)CC1 ZINC000123289701 1414688443 /nfs/dbraw/zinc/68/84/43/1414688443.db2.gz CFGVVHCCEIZUIP-UHFFFAOYSA-N 2 0 380.536 3.288 20 0 GGADRP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000123295034 1414690065 /nfs/dbraw/zinc/69/00/65/1414690065.db2.gz QWABHYPTDUBINT-HXUWFJFHSA-N 2 0 394.563 3.013 20 0 GGADRP COc1ccc([C@H](NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000123343024 1414701117 /nfs/dbraw/zinc/70/11/17/1414701117.db2.gz ZXXXOWXDHXRVRD-HSZRJFAPSA-N 2 0 387.568 3.316 20 0 GGADRP COc1ccc(NC(=O)[C@H](C)N2CCC(CCC[NH+](C)C)CC2)c(OC)c1 ZINC000123407949 1414720610 /nfs/dbraw/zinc/72/06/10/1414720610.db2.gz RADYTCSQBWWMRB-INIZCTEOSA-N 2 0 377.529 3.085 20 0 GGADRP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123427196 1414727256 /nfs/dbraw/zinc/72/72/56/1414727256.db2.gz ZFSKEGNLLHHSML-KRWDZBQOSA-N 2 0 393.547 3.235 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000123440794 1414732839 /nfs/dbraw/zinc/73/28/39/1414732839.db2.gz UDGSMZSBTXMWDN-JMUQELJHSA-N 2 0 396.579 3.092 20 0 GGADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123477687 1414745947 /nfs/dbraw/zinc/74/59/47/1414745947.db2.gz QOQXSCNAXZAJPE-KRWDZBQOSA-N 2 0 389.540 3.229 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC3 ZINC000123521933 1414762162 /nfs/dbraw/zinc/76/21/62/1414762162.db2.gz OPBIIOXTLDSXHG-QGZVFWFLSA-N 2 0 394.519 3.159 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000123873320 1414839945 /nfs/dbraw/zinc/83/99/45/1414839945.db2.gz XZGGYBRZEVQNDK-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000123985336 1414862873 /nfs/dbraw/zinc/86/28/73/1414862873.db2.gz WFJSZBAFSUWPBH-HXUWFJFHSA-N 2 0 376.447 3.263 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)[NH+]2CCCC2)o1 ZINC000124038069 1414874244 /nfs/dbraw/zinc/87/42/44/1414874244.db2.gz KFPZZOXGCPKFSO-IBGZPJMESA-N 2 0 388.512 3.091 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000124046254 1414875303 /nfs/dbraw/zinc/87/53/03/1414875303.db2.gz VHWXOLGGXGJCDW-GUDVDZBRSA-N 2 0 383.577 3.255 20 0 GGADRP COC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000124469152 1414976034 /nfs/dbraw/zinc/97/60/34/1414976034.db2.gz PEQNFYUKDYXZMQ-LJQANCHMSA-N 2 0 387.490 3.256 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000124583571 1414999091 /nfs/dbraw/zinc/99/90/91/1414999091.db2.gz ZDABWGHOQPJSPR-CALCHBBNSA-N 2 0 399.501 3.412 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000124876458 1415064582 /nfs/dbraw/zinc/06/45/82/1415064582.db2.gz UZEYEZJZCSSYAY-RCLSDMTESA-N 2 0 376.589 3.013 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000124883270 1415066006 /nfs/dbraw/zinc/06/60/06/1415066006.db2.gz IBKCHXUCGBZINS-XMSQKQJNSA-N 2 0 380.536 3.210 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000124883017 1415066065 /nfs/dbraw/zinc/06/60/65/1415066065.db2.gz IBKCHXUCGBZINS-AVRDEDQJSA-N 2 0 380.536 3.210 20 0 GGADRP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000124990263 1415087668 /nfs/dbraw/zinc/08/76/68/1415087668.db2.gz LPOKPLKOGQIQPS-FQEVSTJZSA-N 2 0 397.611 3.202 20 0 GGADRP CCCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000125014866 1415091661 /nfs/dbraw/zinc/09/16/61/1415091661.db2.gz QKIYVBJUYYJDNV-LJQANCHMSA-N 2 0 376.545 3.355 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cn2)CC1 ZINC000177827134 1428866046 /nfs/dbraw/zinc/86/60/46/1428866046.db2.gz JGGLUODARMMYMK-FQEVSTJZSA-N 2 0 378.520 3.370 20 0 GGADRP Cc1ccc(-c2noc(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1F ZINC000125238503 1415136686 /nfs/dbraw/zinc/13/66/86/1415136686.db2.gz RUUUDSBEEBMUDB-UHFFFAOYSA-N 2 0 381.455 3.334 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000177849315 1428872181 /nfs/dbraw/zinc/87/21/81/1428872181.db2.gz XRZDMVAXRDFOIE-PMACEKPBSA-N 2 0 386.584 3.402 20 0 GGADRP O=C(c1ccoc1)N1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000125455853 1415203746 /nfs/dbraw/zinc/20/37/46/1415203746.db2.gz UHHAIIMJWGOYOJ-UHFFFAOYSA-N 2 0 387.549 3.448 20 0 GGADRP CCOc1ccc2cc(C(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@@H+]3CC)[nH]c2c1 ZINC000125588612 1415233006 /nfs/dbraw/zinc/23/30/06/1415233006.db2.gz CCDSTXOUETULJZ-GOSISDBHSA-N 2 0 386.540 3.055 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000125616823 1415238893 /nfs/dbraw/zinc/23/88/93/1415238893.db2.gz HNCCNWRODOZFEI-QFIPXVFZSA-N 2 0 398.551 3.498 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000125633591 1415242183 /nfs/dbraw/zinc/24/21/83/1415242183.db2.gz FMWMIPVBWRMJNZ-HXUWFJFHSA-N 2 0 378.605 3.308 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000125654794 1415247643 /nfs/dbraw/zinc/24/76/43/1415247643.db2.gz HYWAFPWPRZICJV-NRFANRHFSA-N 2 0 378.605 3.404 20 0 GGADRP COc1ccc2oc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2c1 ZINC000125717447 1415261235 /nfs/dbraw/zinc/26/12/35/1415261235.db2.gz POUQOAMXNFXJGE-UHFFFAOYSA-N 2 0 381.476 3.023 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125748914 1415269777 /nfs/dbraw/zinc/26/97/77/1415269777.db2.gz BVZLFBFJNZHIIP-DLBZAZTESA-N 2 0 377.529 3.131 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000125804053 1415285776 /nfs/dbraw/zinc/28/57/76/1415285776.db2.gz VTWOGZJGXKVXGQ-ZCNNSNEGSA-N 2 0 398.595 3.448 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000125899430 1415307856 /nfs/dbraw/zinc/30/78/56/1415307856.db2.gz UOSSQZQFSRQJSR-BZSNNMDCSA-N 2 0 391.556 3.379 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000125898716 1415307964 /nfs/dbraw/zinc/30/79/64/1415307964.db2.gz OPTFKUXWUNTXJW-BZSNNMDCSA-N 2 0 391.556 3.379 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000126027889 1415339976 /nfs/dbraw/zinc/33/99/76/1415339976.db2.gz NQCPJVXGYNPCSR-UHFFFAOYSA-N 2 0 385.474 3.276 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)ccn2)CC1 ZINC000126042764 1415342602 /nfs/dbraw/zinc/34/26/02/1415342602.db2.gz YMNSGRHWTYDZIP-UHFFFAOYSA-N 2 0 394.441 3.064 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000126163448 1415374130 /nfs/dbraw/zinc/37/41/30/1415374130.db2.gz ZSMLCTLZTUXPNQ-MRXNPFEDSA-N 2 0 385.508 3.272 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000177978644 1428912603 /nfs/dbraw/zinc/91/26/03/1428912603.db2.gz FTZSSTVQGZMEFJ-KRWDZBQOSA-N 2 0 389.565 3.286 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000126310394 1415414985 /nfs/dbraw/zinc/41/49/85/1415414985.db2.gz JWLKWXAHWOGMDO-JOCHJYFZSA-N 2 0 398.551 3.498 20 0 GGADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126363386 1415427624 /nfs/dbraw/zinc/42/76/24/1415427624.db2.gz YRFRQJWOGFXKHR-OXJNMPFZSA-N 2 0 390.959 3.260 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1 ZINC000126414775 1415444673 /nfs/dbraw/zinc/44/46/73/1415444673.db2.gz LECOKGXATBPVAC-OAHLLOKOSA-N 2 0 399.520 3.188 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000178000511 1428925514 /nfs/dbraw/zinc/92/55/14/1428925514.db2.gz JLWVEVOSNADQIM-YADHBBJMSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126705723 1415531937 /nfs/dbraw/zinc/53/19/37/1415531937.db2.gz XJKSLARIMMJHSQ-GOSISDBHSA-N 2 0 381.520 3.056 20 0 GGADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000178036409 1428948615 /nfs/dbraw/zinc/94/86/15/1428948615.db2.gz OZZJFINVIPSFRR-IPMKNSEASA-N 2 0 375.557 3.500 20 0 GGADRP COCc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC ZINC000126719663 1415538157 /nfs/dbraw/zinc/53/81/57/1415538157.db2.gz XMWHTYGJCSUCAX-IBGZPJMESA-N 2 0 397.563 3.440 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000126730773 1415541744 /nfs/dbraw/zinc/54/17/44/1415541744.db2.gz QQEYTYNLQGOBMW-SFHVURJKSA-N 2 0 383.536 3.302 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775849 1415555439 /nfs/dbraw/zinc/55/54/39/1415555439.db2.gz QSHGJCBEVXYOGH-MJGOQNOKSA-N 2 0 390.597 3.305 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000126814851 1415567867 /nfs/dbraw/zinc/56/78/67/1415567867.db2.gz ZQCVPQUCVSAGLW-MOPGFXCFSA-N 2 0 388.487 3.158 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037169 1428949561 /nfs/dbraw/zinc/94/95/61/1428949561.db2.gz MXFOBEDRJACXNK-BZSNNMDCSA-N 2 0 375.513 3.183 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000178036884 1428949572 /nfs/dbraw/zinc/94/95/72/1428949572.db2.gz QSWMBUKASPVDLH-BGYRXZFFSA-N 2 0 391.575 3.312 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000127047678 1415648035 /nfs/dbraw/zinc/64/80/35/1415648035.db2.gz WVQBOTZRIHYUPJ-AWEZNQCLSA-N 2 0 388.781 3.466 20 0 GGADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000178081217 1428972765 /nfs/dbraw/zinc/97/27/65/1428972765.db2.gz LWHCOPWJKMKXAX-SFHVURJKSA-N 2 0 375.557 3.315 20 0 GGADRP CCC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000127229059 1415695301 /nfs/dbraw/zinc/69/53/01/1415695301.db2.gz MXXWHLOPPQMOKR-SFHVURJKSA-N 2 0 376.564 3.493 20 0 GGADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127279587 1415715601 /nfs/dbraw/zinc/71/56/01/1415715601.db2.gz GNSKXLMGGKQJOA-ZWKOTPCHSA-N 2 0 392.563 3.265 20 0 GGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127280253 1415716433 /nfs/dbraw/zinc/71/64/33/1415716433.db2.gz GNSKXLMGGKQJOA-MSOLQXFVSA-N 2 0 392.563 3.265 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000127295340 1415723751 /nfs/dbraw/zinc/72/37/51/1415723751.db2.gz JAACZZAIXBEHBS-MSOLQXFVSA-N 3 0 376.564 3.349 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000127294490 1415723835 /nfs/dbraw/zinc/72/38/35/1415723835.db2.gz YBBRPPMBBBPRIZ-JXFKEZNVSA-N 2 0 385.531 3.429 20 0 GGADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000178113061 1428987583 /nfs/dbraw/zinc/98/75/83/1428987583.db2.gz CFBJRTWUOZHBIA-IBGZPJMESA-N 2 0 391.462 3.139 20 0 GGADRP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000127377331 1415758668 /nfs/dbraw/zinc/75/86/68/1415758668.db2.gz SHHDCWKZOZBBAO-VQTJNVASSA-N 2 0 379.589 3.035 20 0 GGADRP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000127377523 1415758786 /nfs/dbraw/zinc/75/87/86/1415758786.db2.gz SHHDCWKZOZBBAO-PMACEKPBSA-N 2 0 379.589 3.035 20 0 GGADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127413373 1415770775 /nfs/dbraw/zinc/77/07/75/1415770775.db2.gz OYZJLYALJKUNLP-IBGZPJMESA-N 2 0 388.556 3.357 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127438426 1415778567 /nfs/dbraw/zinc/77/85/67/1415778567.db2.gz NDZNIYAGKZWKQP-IBGZPJMESA-N 2 0 388.556 3.357 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127438141 1415778844 /nfs/dbraw/zinc/77/88/44/1415778844.db2.gz AWJVNUPBBBBZMQ-FQEVSTJZSA-N 2 0 388.556 3.499 20 0 GGADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)cc2)CC1 ZINC000178133048 1428993776 /nfs/dbraw/zinc/99/37/76/1428993776.db2.gz FBMNFEZSMKMBIX-LJQANCHMSA-N 2 0 384.568 3.422 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000127463048 1415787950 /nfs/dbraw/zinc/78/79/50/1415787950.db2.gz RFEQHZBHRHOHEJ-VGSWGCGISA-N 2 0 398.526 3.207 20 0 GGADRP COc1ccc(C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000127478822 1415795584 /nfs/dbraw/zinc/79/55/84/1415795584.db2.gz DQJCVRIWHRNEIE-YADARESESA-N 2 0 397.563 3.213 20 0 GGADRP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000127573151 1415812140 /nfs/dbraw/zinc/81/21/40/1415812140.db2.gz PRFOFBZDVNZBJZ-OFNKIYASSA-N 2 0 383.580 3.274 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000127651193 1415826310 /nfs/dbraw/zinc/82/63/10/1415826310.db2.gz ITYVRFJVFHCNJT-DNVCBOLYSA-N 2 0 390.959 3.229 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000127650705 1415826363 /nfs/dbraw/zinc/82/63/63/1415826363.db2.gz ITYVRFJVFHCNJT-BEFAXECRSA-N 2 0 390.959 3.229 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000178203481 1429017725 /nfs/dbraw/zinc/01/77/25/1429017725.db2.gz LHCJAISWTGHNKE-FCHUYYIVSA-N 2 0 383.580 3.322 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000127862354 1415865168 /nfs/dbraw/zinc/86/51/68/1415865168.db2.gz WNKWDMDQQGUSND-PMACEKPBSA-N 2 0 390.572 3.474 20 0 GGADRP COc1cc(C[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000127937950 1415878690 /nfs/dbraw/zinc/87/86/90/1415878690.db2.gz HBKKYCDYRUWSLM-KDURUIRLSA-N 2 0 399.535 3.258 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127968596 1415885334 /nfs/dbraw/zinc/88/53/34/1415885334.db2.gz CDZYEZWESHVYKM-NQIIRXRSSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@H](C)O1 ZINC000128005866 1415892121 /nfs/dbraw/zinc/89/21/21/1415892121.db2.gz WNPHQMWJXGPWJG-OALUTQOASA-N 2 0 391.519 3.166 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000178239758 1429028034 /nfs/dbraw/zinc/02/80/34/1429028034.db2.gz YWAODGBJBBZQTR-KDURUIRLSA-N 2 0 387.568 3.100 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000178211612 1429019908 /nfs/dbraw/zinc/01/99/08/1429019908.db2.gz GLMVIFFGVBEGHD-UHFFFAOYSA-N 3 0 386.628 3.437 20 0 GGADRP O=C(c1ccccc1Cl)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000178253400 1429034371 /nfs/dbraw/zinc/03/43/71/1429034371.db2.gz RNTTVAJNDRORBQ-UHFFFAOYSA-N 2 0 375.944 3.409 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000128495361 1415999654 /nfs/dbraw/zinc/99/96/54/1415999654.db2.gz IDTCHOLUZILQPH-INIZCTEOSA-N 2 0 377.529 3.131 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)[C@H](C)C1 ZINC000128496675 1416000409 /nfs/dbraw/zinc/00/04/09/1416000409.db2.gz YRUHEEPFDPYRKS-KNQAVFIVSA-N 2 0 387.568 3.036 20 0 GGADRP CCOc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000128589912 1416020473 /nfs/dbraw/zinc/02/04/73/1416020473.db2.gz QSTPFWZZKWAYCZ-QGZVFWFLSA-N 2 0 385.499 3.048 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178285538 1429042281 /nfs/dbraw/zinc/04/22/81/1429042281.db2.gz IKYLNZLTSZTNCY-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128664404 1416037381 /nfs/dbraw/zinc/03/73/81/1416037381.db2.gz SMHPKZGNHDWJHU-APWZRJJASA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000128774178 1416064936 /nfs/dbraw/zinc/06/49/36/1416064936.db2.gz LTDQBFBSJWZIIE-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000128776102 1416065580 /nfs/dbraw/zinc/06/55/80/1416065580.db2.gz YRJYMYDFOKIEJZ-UHFFFAOYSA-N 2 0 398.389 3.354 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000128788326 1416069238 /nfs/dbraw/zinc/06/92/38/1416069238.db2.gz ZXHUTJQOVLQYHZ-UHFFFAOYSA-N 2 0 377.536 3.141 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000178298362 1429045565 /nfs/dbraw/zinc/04/55/65/1429045565.db2.gz PWPPKBIWKUSDQI-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-n2ccnc2)C[N@@H+]1Cc1ccccc1 ZINC000128900503 1416096409 /nfs/dbraw/zinc/09/64/09/1416096409.db2.gz IFKBJJZSSSUYSF-RXVVDRJESA-N 2 0 389.503 3.335 20 0 GGADRP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000128962764 1416114609 /nfs/dbraw/zinc/11/46/09/1416114609.db2.gz MWKMDGBGRUEZEQ-QGZVFWFLSA-N 2 0 392.613 3.376 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129319080 1416190505 /nfs/dbraw/zinc/19/05/05/1416190505.db2.gz YRURMVKNXMEKCX-ZWKOTPCHSA-N 2 0 378.586 3.114 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129492341 1416218390 /nfs/dbraw/zinc/21/83/90/1416218390.db2.gz BGUJXJCRUNCNLS-XQBPLPMBSA-N 2 0 386.584 3.258 20 0 GGADRP C[C@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129595057 1416234328 /nfs/dbraw/zinc/23/43/28/1416234328.db2.gz QRTZKENKHXEOIW-FCOCTOGTSA-N 2 0 382.556 3.102 20 0 GGADRP C[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129658725 1416244560 /nfs/dbraw/zinc/24/45/60/1416244560.db2.gz WSEOMDFXEQCRAB-ZDNVTZCJSA-N 2 0 384.572 3.326 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000129927462 1416286172 /nfs/dbraw/zinc/28/61/72/1416286172.db2.gz VKONCDYULJUPOF-SFHVURJKSA-N 2 0 392.975 3.145 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000129983900 1416296197 /nfs/dbraw/zinc/29/61/97/1416296197.db2.gz ZDAIMFBMVKQLCS-IRLDBZIGSA-N 2 0 390.616 3.403 20 0 GGADRP O=C1C[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000130059716 1416310372 /nfs/dbraw/zinc/31/03/72/1416310372.db2.gz JGULNDGISQLAAY-FQEVSTJZSA-N 2 0 387.499 3.046 20 0 GGADRP C[N@H+](C[C@@H](O)COc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130099090 1416317472 /nfs/dbraw/zinc/31/74/72/1416317472.db2.gz XONNUXUJEQHRRQ-LJQANCHMSA-N 2 0 389.927 3.323 20 0 GGADRP COc1ccccc1N1CC[C@H]([N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000130099979 1416317959 /nfs/dbraw/zinc/31/79/59/1416317959.db2.gz DROCLDOUUCMDOY-NRFANRHFSA-N 2 0 394.519 3.044 20 0 GGADRP COc1ccccc1N1CC[C@@H]([N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000130099773 1416318168 /nfs/dbraw/zinc/31/81/68/1416318168.db2.gz DROCLDOUUCMDOY-OAQYLSRUSA-N 2 0 394.519 3.044 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000130190110 1416336368 /nfs/dbraw/zinc/33/63/68/1416336368.db2.gz MPIBXGAJTQXFOI-UHFFFAOYSA-N 2 0 391.515 3.078 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130218017 1416341106 /nfs/dbraw/zinc/34/11/06/1416341106.db2.gz QGAXWCWTBBPBEH-SJORKVTESA-N 2 0 378.586 3.227 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000130233567 1416343317 /nfs/dbraw/zinc/34/33/17/1416343317.db2.gz MKZGRCLMKGLKHR-KRWDZBQOSA-N 2 0 385.508 3.175 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000130316701 1416356818 /nfs/dbraw/zinc/35/68/18/1416356818.db2.gz FOWOZUOFPRTRGV-MAUKXSAKSA-N 2 0 378.948 3.038 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(OC(F)F)c1 ZINC000130485660 1416386503 /nfs/dbraw/zinc/38/65/03/1416386503.db2.gz MFPOUVXMHWFFMO-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP CC[NH+]1CCN(CCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000130545461 1416396779 /nfs/dbraw/zinc/39/67/79/1416396779.db2.gz DNKMCBQGNMLNGV-UHFFFAOYSA-N 2 0 386.584 3.417 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000130651263 1416417345 /nfs/dbraw/zinc/41/73/45/1416417345.db2.gz AGJFEUWKMFHRJA-FQEVSTJZSA-N 2 0 392.563 3.267 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000130707662 1416430629 /nfs/dbraw/zinc/43/06/29/1416430629.db2.gz KZDSHYSKZLCUEK-QNGMFEMESA-N 2 0 378.605 3.307 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000130734020 1416437750 /nfs/dbraw/zinc/43/77/50/1416437750.db2.gz SPZQQQZUYPJBIN-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000130742428 1416440351 /nfs/dbraw/zinc/44/03/51/1416440351.db2.gz XFHIBRYBAGCQCZ-QFIPXVFZSA-N 2 0 382.552 3.110 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000130790870 1416452465 /nfs/dbraw/zinc/45/24/65/1416452465.db2.gz IGPMNGLSIHECMJ-IBGZPJMESA-N 2 0 392.563 3.267 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131081887 1416506320 /nfs/dbraw/zinc/50/63/20/1416506320.db2.gz NTBMQBXLCAAKFS-UHFFFAOYSA-N 2 0 383.584 3.287 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000131085881 1416506834 /nfs/dbraw/zinc/50/68/34/1416506834.db2.gz BOSIYDGWXGTMNR-FCHUYYIVSA-N 2 0 384.568 3.402 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131103131 1416509154 /nfs/dbraw/zinc/50/91/54/1416509154.db2.gz UZXNJRXXAKNDLW-IBGZPJMESA-N 2 0 383.584 3.285 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000131129464 1416513109 /nfs/dbraw/zinc/51/31/09/1416513109.db2.gz YDNLZFDMTQXSIC-NRFANRHFSA-N 2 0 384.568 3.346 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000131470125 1416562624 /nfs/dbraw/zinc/56/26/24/1416562624.db2.gz PKTQWACTVLZQTR-KNQAVFIVSA-N 2 0 398.551 3.263 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000131470371 1416562782 /nfs/dbraw/zinc/56/27/82/1416562782.db2.gz PKTQWACTVLZQTR-UGKGYDQZSA-N 2 0 398.551 3.263 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131591652 1416581366 /nfs/dbraw/zinc/58/13/66/1416581366.db2.gz JRICVANJNDMOPG-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000131765832 1416615250 /nfs/dbraw/zinc/61/52/50/1416615250.db2.gz RXSRRAZKOQOWQU-GCJKJVERSA-N 2 0 390.572 3.396 20 0 GGADRP C[C@H]1CCC[C@@](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000131765617 1416615499 /nfs/dbraw/zinc/61/54/99/1416615499.db2.gz RXSRRAZKOQOWQU-PGRDOPGGSA-N 2 0 390.572 3.396 20 0 GGADRP Cn1ncc(Cl)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000131982887 1416666046 /nfs/dbraw/zinc/66/60/46/1416666046.db2.gz GPVWDWPMMXZHRF-UHFFFAOYSA-N 2 0 376.932 3.234 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000132129457 1416702798 /nfs/dbraw/zinc/70/27/98/1416702798.db2.gz IMMWRSXNXNTPDF-GOSISDBHSA-N 2 0 397.542 3.424 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000132152777 1416708564 /nfs/dbraw/zinc/70/85/64/1416708564.db2.gz MEFZIQUBDAHTHT-UHFFFAOYSA-N 2 0 383.584 3.287 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132232027 1416721161 /nfs/dbraw/zinc/72/11/61/1416721161.db2.gz VCVSXMRZZGCROC-FUHIMQAGSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132231809 1416721262 /nfs/dbraw/zinc/72/12/62/1416721262.db2.gz VCVSXMRZZGCROC-ZWOKBUDYSA-N 2 0 381.586 3.146 20 0 GGADRP CC(C)c1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000132277949 1416728269 /nfs/dbraw/zinc/72/82/69/1416728269.db2.gz HDOZPVWSNMAOCG-GOSISDBHSA-N 2 0 386.565 3.254 20 0 GGADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132500653 1416773506 /nfs/dbraw/zinc/77/35/06/1416773506.db2.gz JBWPRUDLPFZXER-QFBILLFUSA-N 2 0 387.597 3.436 20 0 GGADRP COC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000132504342 1416774301 /nfs/dbraw/zinc/77/43/01/1416774301.db2.gz QCDNLIFTCMAHAD-RBUKOAKNSA-N 2 0 387.490 3.255 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132530382 1416779408 /nfs/dbraw/zinc/77/94/08/1416779408.db2.gz QUXCRFUOAMACGD-FXAWDEMLSA-N 2 0 387.568 3.091 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC ZINC000132560243 1416785034 /nfs/dbraw/zinc/78/50/34/1416785034.db2.gz NWAYCMLYVAGYAA-UYAOXDASSA-N 2 0 377.573 3.407 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000132568308 1416785964 /nfs/dbraw/zinc/78/59/64/1416785964.db2.gz IALUXVYWVMQTFP-JTSKRJEESA-N 2 0 387.547 3.242 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)N1CC[NH+](C)CC1 ZINC000132575182 1416787071 /nfs/dbraw/zinc/78/70/71/1416787071.db2.gz SAJHZGRNDGFZJK-MOPGFXCFSA-N 2 0 385.474 3.434 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)N1CC[NH+](C)CC1 ZINC000132574979 1416787408 /nfs/dbraw/zinc/78/74/08/1416787408.db2.gz SAJHZGRNDGFZJK-RTBURBONSA-N 2 0 385.474 3.434 20 0 GGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000132580286 1416787905 /nfs/dbraw/zinc/78/79/05/1416787905.db2.gz WFPLFFSIOFDVCP-QGZVFWFLSA-N 2 0 381.520 3.453 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000132723969 1416808282 /nfs/dbraw/zinc/80/82/82/1416808282.db2.gz XYWFWWHGPNCQBI-XGCWNURASA-N 2 0 386.561 3.232 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000132724181 1416808455 /nfs/dbraw/zinc/80/84/55/1416808455.db2.gz XYWFWWHGPNCQBI-SOKVYYICSA-N 2 0 386.561 3.232 20 0 GGADRP CC(C)c1ncc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000132788968 1416815116 /nfs/dbraw/zinc/81/51/16/1416815116.db2.gz PWGGEBGAPYTIMU-UHFFFAOYSA-N 2 0 386.565 3.382 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132809042 1416817352 /nfs/dbraw/zinc/81/73/52/1416817352.db2.gz CZRATIMIUWSYFW-DLBZAZTESA-N 2 0 386.540 3.122 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000132822196 1416819337 /nfs/dbraw/zinc/81/93/37/1416819337.db2.gz HMSGBNNKSDYVSV-SFHVURJKSA-N 2 0 391.519 3.075 20 0 GGADRP CN(c1ccccc1C[NH2+]CCN1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000132838734 1416821511 /nfs/dbraw/zinc/82/15/11/1416821511.db2.gz FQRPDEUVRKRGQE-UHFFFAOYSA-N 2 0 392.591 3.365 20 0 GGADRP CN(c1ccccc1C[NH2+]CCc1cn2ccccc2n1)C1CC[NH+](C)CC1 ZINC000132893445 1416827801 /nfs/dbraw/zinc/82/78/01/1416827801.db2.gz BIPIJIDGJGHMIO-UHFFFAOYSA-N 2 0 377.536 3.197 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928591 1416832332 /nfs/dbraw/zinc/83/23/32/1416832332.db2.gz WWADCTKYJLGFRD-FXAWDEMLSA-N 2 0 389.588 3.273 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928383 1416832351 /nfs/dbraw/zinc/83/23/51/1416832351.db2.gz WWADCTKYJLGFRD-XLIONFOSSA-N 2 0 389.588 3.273 20 0 GGADRP CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000133004319 1416841152 /nfs/dbraw/zinc/84/11/52/1416841152.db2.gz OPJPHENZDOVUCE-UHFFFAOYSA-N 2 0 394.563 3.257 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133257194 1416870952 /nfs/dbraw/zinc/87/09/52/1416870952.db2.gz MVEUZUFCNNPWAQ-QGZVFWFLSA-N 2 0 385.508 3.175 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133257006 1416871061 /nfs/dbraw/zinc/87/10/61/1416871061.db2.gz MVEUZUFCNNPWAQ-KRWDZBQOSA-N 2 0 385.508 3.175 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000133623944 1416923435 /nfs/dbraw/zinc/92/34/35/1416923435.db2.gz BKAUYDGZAYADIM-GOSISDBHSA-N 2 0 399.583 3.313 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000133741990 1416954711 /nfs/dbraw/zinc/95/47/11/1416954711.db2.gz XTAQZDXRZPCTAU-UHFFFAOYSA-N 2 0 390.503 3.062 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133887912 1416988777 /nfs/dbraw/zinc/98/87/77/1416988777.db2.gz LMJXNXBTQIAKHK-GOSISDBHSA-N 2 0 399.535 3.096 20 0 GGADRP CC[C@@H](C)Oc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC ZINC000134081278 1417019100 /nfs/dbraw/zinc/01/91/00/1417019100.db2.gz RCVQTVOHAVPZSC-GOSISDBHSA-N 2 0 376.541 3.417 20 0 GGADRP CCCCOc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC ZINC000134098317 1417021790 /nfs/dbraw/zinc/02/17/90/1417021790.db2.gz SLGXNPDTRWLQEV-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134562418 1417087545 /nfs/dbraw/zinc/08/75/45/1417087545.db2.gz DQZQGBMHPSHWMN-OAQYLSRUSA-N 2 0 398.595 3.098 20 0 GGADRP CS[C@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000134608614 1417096105 /nfs/dbraw/zinc/09/61/05/1417096105.db2.gz YVMKIKQGYQDMGX-IBGZPJMESA-N 2 0 393.622 3.391 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000134634473 1417101868 /nfs/dbraw/zinc/10/18/68/1417101868.db2.gz LBIXZWIXOAMTQN-OALUTQOASA-N 2 0 386.584 3.315 20 0 GGADRP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134867620 1417136512 /nfs/dbraw/zinc/13/65/12/1417136512.db2.gz PPZBNFRBEUYFCP-KNQAVFIVSA-N 2 0 380.536 3.448 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134946408 1417150220 /nfs/dbraw/zinc/15/02/20/1417150220.db2.gz DGAGIQABMHPXAM-IRLDBZIGSA-N 2 0 394.567 3.459 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135131174 1417175792 /nfs/dbraw/zinc/17/57/92/1417175792.db2.gz ZDBCBUWGNCPASJ-IAGOWNOFSA-N 2 0 378.536 3.055 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000135138028 1417176917 /nfs/dbraw/zinc/17/69/17/1417176917.db2.gz WUKFMANNMYCBBJ-UHFFFAOYSA-N 2 0 378.536 3.199 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000135139378 1417176979 /nfs/dbraw/zinc/17/69/79/1417176979.db2.gz LHENERPRMMBRRI-KRWDZBQOSA-N 2 0 378.536 3.341 20 0 GGADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000135211134 1417188905 /nfs/dbraw/zinc/18/89/05/1417188905.db2.gz JFIDDYWUWUZFEU-KHYOSLBOSA-N 2 0 399.963 3.025 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135272602 1417200667 /nfs/dbraw/zinc/20/06/67/1417200667.db2.gz MRSYQHMVMFALQR-NSHGMRRFSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000135272619 1417200798 /nfs/dbraw/zinc/20/07/98/1417200798.db2.gz MRSYQHMVMFALQR-GGPKGHCWSA-N 2 0 393.547 3.060 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135273531 1417200814 /nfs/dbraw/zinc/20/08/14/1417200814.db2.gz KASGPOZHLAPXPH-YLJYHZDGSA-N 2 0 394.531 3.129 20 0 GGADRP CCCC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C(=O)Nc1cc(C)on1 ZINC000135294922 1417204433 /nfs/dbraw/zinc/20/44/33/1417204433.db2.gz IXBKECGWZOQEOR-GOSISDBHSA-N 2 0 376.476 3.471 20 0 GGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135343704 1417209777 /nfs/dbraw/zinc/20/97/77/1417209777.db2.gz DHKTZMMJHJRFQW-CRAIPNDOSA-N 2 0 384.927 3.111 20 0 GGADRP COc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000136001462 1417284989 /nfs/dbraw/zinc/28/49/89/1417284989.db2.gz YQNLFGHXVQUCOV-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP CC1CC[NH+](CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000136114921 1417293110 /nfs/dbraw/zinc/29/31/10/1417293110.db2.gz FQCOLCRVRGDXPK-UHFFFAOYSA-N 2 0 376.520 3.027 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000136169518 1417297941 /nfs/dbraw/zinc/29/79/41/1417297941.db2.gz UURLYGANKCLHIX-SFHVURJKSA-N 2 0 378.536 3.055 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1Br ZINC000136221022 1417301950 /nfs/dbraw/zinc/30/19/50/1417301950.db2.gz UGOUVPUCTHRIFL-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000136215080 1417302160 /nfs/dbraw/zinc/30/21/60/1417302160.db2.gz DGVOGFAWIYZAID-UHFFFAOYSA-N 2 0 390.547 3.484 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1F ZINC000136224006 1417302819 /nfs/dbraw/zinc/30/28/19/1417302819.db2.gz TVTWOVXDMJWXRX-UHFFFAOYSA-N 2 0 398.526 3.305 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000136580567 1417328423 /nfs/dbraw/zinc/32/84/23/1417328423.db2.gz BJIDCKCODHBNPU-YADHBBJMSA-N 2 0 384.568 3.298 20 0 GGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586984 1417330158 /nfs/dbraw/zinc/33/01/58/1417330158.db2.gz SQHBBTAVMDWGIQ-RTBURBONSA-N 2 0 386.458 3.485 20 0 GGADRP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000136607242 1417331935 /nfs/dbraw/zinc/33/19/35/1417331935.db2.gz UTAKKVRFGRNLMB-ZWKOTPCHSA-N 2 0 397.357 3.315 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000178808615 1429177211 /nfs/dbraw/zinc/17/72/11/1429177211.db2.gz JPLHBMJIIARBMC-IBGZPJMESA-N 2 0 399.583 3.267 20 0 GGADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)C/C=C/C[NH+](C)[C@H]1CCCc2c1cnn2C ZINC000136824274 1417347660 /nfs/dbraw/zinc/34/76/60/1417347660.db2.gz WGQRGNZXPRNQHK-VGIQHARFSA-N 2 0 382.556 3.028 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[NH+]2CCCC2)cc1 ZINC000138026528 1417401547 /nfs/dbraw/zinc/40/15/47/1417401547.db2.gz OHLAZNJFMPDCJW-FSSWDIPSSA-N 2 0 384.568 3.258 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH+](Cc4cccs4)C3)CC[C@@H]21 ZINC000138061210 1417404314 /nfs/dbraw/zinc/40/43/14/1417404314.db2.gz MDJNCUSCWVZLBW-NSHGMRRFSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000139030805 1417446153 /nfs/dbraw/zinc/44/61/53/1417446153.db2.gz PUGHPTTUBVPNSR-GOSISDBHSA-N 2 0 396.535 3.234 20 0 GGADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000139378144 1417458294 /nfs/dbraw/zinc/45/82/94/1417458294.db2.gz BSQJFUXOFOWIAA-UHFFFAOYSA-N 2 0 390.531 3.423 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139912063 1417480040 /nfs/dbraw/zinc/48/00/40/1417480040.db2.gz GTFXXDLCLLLNOC-TZIWHRDSSA-N 2 0 395.551 3.234 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000139944074 1417481700 /nfs/dbraw/zinc/48/17/00/1417481700.db2.gz YFNFQDMXMMVQEP-UHFFFAOYSA-N 2 0 390.597 3.272 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000141137285 1417527679 /nfs/dbraw/zinc/52/76/79/1417527679.db2.gz KJUMTHKMNDOHMU-SYYKKAFVSA-N 2 0 384.568 3.338 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178847887 1429194352 /nfs/dbraw/zinc/19/43/52/1429194352.db2.gz GFQCHJMQTWWARX-JTHBVZDNSA-N 2 0 396.579 3.441 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000142202152 1417576138 /nfs/dbraw/zinc/57/61/38/1417576138.db2.gz OHCGHQWXAHUFIU-ROUUACIJSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000178850926 1429195601 /nfs/dbraw/zinc/19/56/01/1429195601.db2.gz ALEDAURMKTVLSV-KXBFYZLASA-N 2 0 383.458 3.027 20 0 GGADRP COc1ccccc1N1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000147298078 1417743936 /nfs/dbraw/zinc/74/39/36/1417743936.db2.gz WKORRMQEXULUTI-UHFFFAOYSA-N 2 0 383.536 3.394 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000150736832 1417795030 /nfs/dbraw/zinc/79/50/30/1417795030.db2.gz KHQKDOJTWLBODI-UNMCSNQZSA-N 2 0 386.584 3.270 20 0 GGADRP COc1cc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1O ZINC000150913048 1417833974 /nfs/dbraw/zinc/83/39/74/1417833974.db2.gz HXGIWEWRJLMVOS-UHFFFAOYSA-N 2 0 383.536 3.264 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000150976512 1417847175 /nfs/dbraw/zinc/84/71/75/1417847175.db2.gz AXUNFFWGGJLQKS-OAQYLSRUSA-N 2 0 389.490 3.318 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139263 1417880350 /nfs/dbraw/zinc/88/03/50/1417880350.db2.gz GMEBMHQXJIPTJP-SFHVURJKSA-N 2 0 382.552 3.442 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000151759481 1418080143 /nfs/dbraw/zinc/08/01/43/1418080143.db2.gz SKLQJYCYWXSXNR-UZKOGDIHSA-N 2 0 384.568 3.165 20 0 GGADRP Cc1ccc(-n2cc(C[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151767049 1418082337 /nfs/dbraw/zinc/08/23/37/1418082337.db2.gz NCVZMNZEABKDDS-HXUWFJFHSA-N 2 0 397.611 3.451 20 0 GGADRP COc1ccc(C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(OC)cc2)cc1 ZINC000151825259 1418095402 /nfs/dbraw/zinc/09/54/02/1418095402.db2.gz WKKWCCOSOAVRDX-XMMPIXPASA-N 2 0 398.547 3.282 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214838 1418175583 /nfs/dbraw/zinc/17/55/83/1418175583.db2.gz NAYJCYLCNQCSRH-AVRDEDQJSA-N 2 0 395.551 3.209 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)CC1 ZINC000179179350 1429286758 /nfs/dbraw/zinc/28/67/58/1429286758.db2.gz QNONUDZVPYGYQJ-XVAXZDLZSA-N 2 0 376.589 3.299 20 0 GGADRP COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1Cl ZINC000179332859 1429331842 /nfs/dbraw/zinc/33/18/42/1429331842.db2.gz NOISSYPHXQXYIP-UHFFFAOYSA-N 2 0 395.975 3.265 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cnc2ccccc2c1=O ZINC000179390542 1429355332 /nfs/dbraw/zinc/35/53/32/1429355332.db2.gz NZTZVRGTBCNPNG-UHFFFAOYSA-N 2 0 391.519 3.030 20 0 GGADRP C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390527 1429355572 /nfs/dbraw/zinc/35/55/72/1429355572.db2.gz HGAJCDQNWYLGSK-UHFFFAOYSA-N 2 0 399.514 3.370 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COCc1cccs1 ZINC000179394215 1429357640 /nfs/dbraw/zinc/35/76/40/1429357640.db2.gz ZDAKIXNGIXZATC-FQEVSTJZSA-N 2 0 389.565 3.259 20 0 GGADRP Cc1cccn2c(=O)cc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000179397644 1429358785 /nfs/dbraw/zinc/35/87/85/1429358785.db2.gz QLBLCNPXOBXJMN-UHFFFAOYSA-N 2 0 391.519 3.136 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCc2sccc2C1 ZINC000179389549 1429354699 /nfs/dbraw/zinc/35/46/99/1429354699.db2.gz UIWAEZCSNXURPA-UHFFFAOYSA-N 2 0 398.576 3.266 20 0 GGADRP c1cn2c(cccc2C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000179418342 1429367208 /nfs/dbraw/zinc/36/72/08/1429367208.db2.gz YFNHPUUNRSVFNP-UHFFFAOYSA-N 2 0 377.536 3.022 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc3nccn32)CC1 ZINC000179423724 1429369227 /nfs/dbraw/zinc/36/92/27/1429369227.db2.gz XOWJQRJLONWMEH-QGZVFWFLSA-N 2 0 381.499 3.466 20 0 GGADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)c(C)n2n1 ZINC000179442975 1429378719 /nfs/dbraw/zinc/37/87/19/1429378719.db2.gz LYHBPQOCQPVDSD-QGZVFWFLSA-N 2 0 393.535 3.154 20 0 GGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468918 1429385651 /nfs/dbraw/zinc/38/56/51/1429385651.db2.gz CYUJYNUHHAGDEF-HNNXBMFYSA-N 2 0 387.915 3.353 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnn(Cc2ccccc2)c1 ZINC000179509167 1429401295 /nfs/dbraw/zinc/40/12/95/1429401295.db2.gz RPJDEOGIVFCLPK-SFHVURJKSA-N 2 0 379.508 3.118 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000179679609 1429504927 /nfs/dbraw/zinc/50/49/27/1429504927.db2.gz DWRYABSWMJWLDL-UHFFFAOYSA-N 2 0 380.504 3.263 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000152305269 1422068045 /nfs/dbraw/zinc/06/80/45/1422068045.db2.gz RORXHBPTWJBOLZ-RTBURBONSA-N 2 0 395.975 3.013 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000152456977 1422108354 /nfs/dbraw/zinc/10/83/54/1422108354.db2.gz LDXBERJXPNLXAT-UHFFFAOYSA-N 2 0 394.494 3.462 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152518017 1422129101 /nfs/dbraw/zinc/12/91/01/1422129101.db2.gz VCLJRWIHYHPPTN-IBGZPJMESA-N 2 0 385.512 3.221 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC(CC[NH+](C)C)CC3)CC2)CC1 ZINC000152677502 1422204803 /nfs/dbraw/zinc/20/48/03/1422204803.db2.gz VNFZEEXPDJEJCZ-UHFFFAOYSA-N 2 0 378.605 3.403 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)CC1 ZINC000152745879 1422234355 /nfs/dbraw/zinc/23/43/55/1422234355.db2.gz OJQLLWVABAYIHE-UEKLYDJUSA-N 2 0 376.589 3.155 20 0 GGADRP O=C(NC1CC1)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000179755514 1429541202 /nfs/dbraw/zinc/54/12/02/1429541202.db2.gz RFAHABIQZKZYCX-OAQYLSRUSA-N 2 0 382.483 3.047 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000152769309 1422242034 /nfs/dbraw/zinc/24/20/34/1422242034.db2.gz GYKNJMHFKFGSTL-BAGYTPMASA-N 2 0 386.584 3.413 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000152773437 1422243824 /nfs/dbraw/zinc/24/38/24/1422243824.db2.gz ZVGWJPSNBNYZGN-XVAXZDLZSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000152894446 1422286256 /nfs/dbraw/zinc/28/62/56/1422286256.db2.gz SMKOEFHUCWPMFS-ZWKOTPCHSA-N 2 0 389.565 3.328 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000153094052 1422353946 /nfs/dbraw/zinc/35/39/46/1422353946.db2.gz ZWJXNHBDEYVJOF-NQIIRXRSSA-N 2 0 384.568 3.356 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000153094175 1422354887 /nfs/dbraw/zinc/35/48/87/1422354887.db2.gz ZWJXNHBDEYVJOF-RXVVDRJESA-N 2 0 384.568 3.356 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000153146339 1422371448 /nfs/dbraw/zinc/37/14/48/1422371448.db2.gz DPOQUAAMUZLJQS-NRFANRHFSA-N 2 0 399.970 3.317 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000153602923 1422643079 /nfs/dbraw/zinc/64/30/79/1422643079.db2.gz KYAOIQJECAHWIU-OAQYLSRUSA-N 2 0 384.524 3.190 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153652865 1422678513 /nfs/dbraw/zinc/67/85/13/1422678513.db2.gz BIBZJXKEEMLWCL-IRLDBZIGSA-N 2 0 399.604 3.324 20 0 GGADRP c1csc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000153662988 1422689153 /nfs/dbraw/zinc/68/91/53/1422689153.db2.gz KPILBUUYOIKORW-QFIPXVFZSA-N 2 0 399.604 3.418 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000153765918 1422744285 /nfs/dbraw/zinc/74/42/85/1422744285.db2.gz OULRSMJELHXHFE-OAQYLSRUSA-N 2 0 386.515 3.050 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153811525 1422771820 /nfs/dbraw/zinc/77/18/20/1422771820.db2.gz WHWRHEPONILEQM-UXHICEINSA-N 2 0 383.646 3.075 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154024523 1422827686 /nfs/dbraw/zinc/82/76/86/1422827686.db2.gz JRBAOBFYKCBHNK-GIVPXCGWSA-N 2 0 377.573 3.452 20 0 GGADRP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000154040890 1422830381 /nfs/dbraw/zinc/83/03/81/1422830381.db2.gz ZXNNEUKISUXWHE-XUZZJYLKSA-N 2 0 385.596 3.256 20 0 GGADRP c1ccc(CC[NH+]2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC000154164069 1422849161 /nfs/dbraw/zinc/84/91/61/1422849161.db2.gz LACKBUWSUDVQPQ-UHFFFAOYSA-N 2 0 385.596 3.318 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154339062 1422874967 /nfs/dbraw/zinc/87/49/67/1422874967.db2.gz VFMWIICDAKMLMT-LJQANCHMSA-N 2 0 389.588 3.239 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154339185 1422875287 /nfs/dbraw/zinc/87/52/87/1422875287.db2.gz VFMWIICDAKMLMT-IBGZPJMESA-N 2 0 389.588 3.239 20 0 GGADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000154539039 1422912619 /nfs/dbraw/zinc/91/26/19/1422912619.db2.gz RLUCZWJEICFSGP-GOSISDBHSA-N 2 0 389.565 3.076 20 0 GGADRP Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c(OCC[NH+](C)C)c1 ZINC000154671033 1422995767 /nfs/dbraw/zinc/99/57/67/1422995767.db2.gz WHQKBXRVAVXBDM-UHFFFAOYSA-N 2 0 376.545 3.179 20 0 GGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N3CCc4sccc4C3)C2)CC1 ZINC000154709162 1423008076 /nfs/dbraw/zinc/00/80/76/1423008076.db2.gz XOMUNUJBVIKDCD-IBGZPJMESA-N 2 0 389.609 3.467 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C2)CC1 ZINC000154742186 1423018206 /nfs/dbraw/zinc/01/82/06/1423018206.db2.gz WUUJDHIGTMDYFM-LJQANCHMSA-N 2 0 386.540 3.169 20 0 GGADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154881890 1423066105 /nfs/dbraw/zinc/06/61/05/1423066105.db2.gz CUYUSBCVIGLIEO-QGZVFWFLSA-N 2 0 389.565 3.286 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000154899496 1423072685 /nfs/dbraw/zinc/07/26/85/1423072685.db2.gz PPYRCNMYPODOER-HZPDHXFCSA-N 2 0 375.948 3.121 20 0 GGADRP Cc1c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000154899394 1423072876 /nfs/dbraw/zinc/07/28/76/1423072876.db2.gz PPYRCNMYPODOER-HOTGVXAUSA-N 2 0 375.948 3.121 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154946543 1423088444 /nfs/dbraw/zinc/08/84/44/1423088444.db2.gz MYMOXAAJNNAECR-FCHUYYIVSA-N 2 0 384.568 3.483 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155015096 1423116246 /nfs/dbraw/zinc/11/62/46/1423116246.db2.gz YOOBYWYGWZYFPH-JPYJTQIMSA-N 2 0 385.527 3.344 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000155092632 1423156835 /nfs/dbraw/zinc/15/68/35/1423156835.db2.gz CJHGFZBZMDYFBS-CHWSQXEVSA-N 2 0 393.425 3.176 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000179884369 1429624204 /nfs/dbraw/zinc/62/42/04/1429624204.db2.gz AHVUKNRLTKYTOV-KDURUIRLSA-N 2 0 382.552 3.408 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000179884398 1429624525 /nfs/dbraw/zinc/62/45/25/1429624525.db2.gz AHVUKNRLTKYTOV-RTBURBONSA-N 2 0 382.552 3.408 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308760 1423311153 /nfs/dbraw/zinc/31/11/53/1423311153.db2.gz LBLGSEOIYHKGTE-AVRDEDQJSA-N 2 0 378.520 3.209 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155436338 1423362808 /nfs/dbraw/zinc/36/28/08/1423362808.db2.gz OBEOMXMYXWZXBE-POAQFYNOSA-N 2 0 381.511 3.270 20 0 GGADRP COc1cccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)c1 ZINC000155495693 1423386331 /nfs/dbraw/zinc/38/63/31/1423386331.db2.gz CSPXSVQFMJHJJV-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP COc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000155496776 1423387406 /nfs/dbraw/zinc/38/74/06/1423387406.db2.gz DRLXVMVSUGIYKF-JOCHJYFZSA-N 2 0 381.520 3.324 20 0 GGADRP Cc1ccc2oc(=O)n(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000179916696 1429639375 /nfs/dbraw/zinc/63/93/75/1429639375.db2.gz LRZBVURSGMNRNZ-UHFFFAOYSA-N 2 0 380.492 3.494 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155561318 1423419198 /nfs/dbraw/zinc/41/91/98/1423419198.db2.gz CROWTQVMTAOMAQ-RTBURBONSA-N 2 0 389.588 3.237 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000155686889 1423487432 /nfs/dbraw/zinc/48/74/32/1423487432.db2.gz QLDLGQSGRDUMIJ-KRWDZBQOSA-N 2 0 391.531 3.304 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000155700074 1423492981 /nfs/dbraw/zinc/49/29/81/1423492981.db2.gz FWZWWJUSJFZVJW-LQWHRVPQSA-N 2 0 378.992 3.170 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156151153 1423696199 /nfs/dbraw/zinc/69/61/99/1423696199.db2.gz KNPUBNHXFGAZGL-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000156225438 1423734444 /nfs/dbraw/zinc/73/44/44/1423734444.db2.gz ADLYUVVDLRAAID-QGZVFWFLSA-N 2 0 384.362 3.221 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156353995 1423794245 /nfs/dbraw/zinc/79/42/45/1423794245.db2.gz ALWNCDVVRNANMZ-JOCHJYFZSA-N 2 0 384.568 3.095 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156385662 1423803129 /nfs/dbraw/zinc/80/31/29/1423803129.db2.gz GAVMUZJQZNRMLV-SFHVURJKSA-N 2 0 377.529 3.116 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1)c1ccccc1 ZINC000156442931 1423811161 /nfs/dbraw/zinc/81/11/61/1423811161.db2.gz FQAGIPIIBPMYPR-LJQANCHMSA-N 2 0 395.547 3.378 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156481215 1423815948 /nfs/dbraw/zinc/81/59/48/1423815948.db2.gz FWJYQGFSOYJNIX-NJYVYQBISA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000156540829 1423825011 /nfs/dbraw/zinc/82/50/11/1423825011.db2.gz ZOMVEFQARUBZQB-LBPRGKRZSA-N 2 0 383.380 3.450 20 0 GGADRP C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000156680528 1423847226 /nfs/dbraw/zinc/84/72/26/1423847226.db2.gz UPQVACTVCLWYEX-RCZSKKKRSA-N 2 0 384.568 3.165 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887870 1423880827 /nfs/dbraw/zinc/88/08/27/1423880827.db2.gz ZTMLOSRVPVDAGI-DENIHFKCSA-N 2 0 381.495 3.300 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4C3)c2)C1 ZINC000156903270 1423883051 /nfs/dbraw/zinc/88/30/51/1423883051.db2.gz HSCVGEZPDFUTKZ-GOTSBHOMSA-N 2 0 377.532 3.031 20 0 GGADRP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156926672 1423887188 /nfs/dbraw/zinc/88/71/88/1423887188.db2.gz LJCTWZRFVRGIRX-UTKZUKDTSA-N 2 0 383.511 3.244 20 0 GGADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000156942058 1423890156 /nfs/dbraw/zinc/89/01/56/1423890156.db2.gz DRMXFKNOFUGEIA-OALUTQOASA-N 2 0 398.576 3.316 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)[C@H](C)C1 ZINC000157122913 1423931310 /nfs/dbraw/zinc/93/13/10/1423931310.db2.gz QWHGJWSTAOJIQK-LVCYWYKZSA-N 2 0 389.540 3.431 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157175265 1423945364 /nfs/dbraw/zinc/94/53/64/1423945364.db2.gz DSSBYZJYDYNMDJ-VQTJNVASSA-N 2 0 376.520 3.088 20 0 GGADRP COc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]2CCCCC2)cc1 ZINC000157195999 1423952464 /nfs/dbraw/zinc/95/24/64/1423952464.db2.gz AZCPREAGCNQJQH-NRFANRHFSA-N 2 0 390.572 3.204 20 0 GGADRP C[NH+](C)[C@H](CNc1cc(NC[C@H](c2ccco2)[NH+](C)C)ncn1)c1ccco1 ZINC000157532449 1424031333 /nfs/dbraw/zinc/03/13/33/1424031333.db2.gz YAPVWVXZDVUTBR-HZPDHXFCSA-N 2 0 384.484 3.092 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000157871585 1424109057 /nfs/dbraw/zinc/10/90/57/1424109057.db2.gz LAKLXYOGQUKMBT-IRXDYDNUSA-N 2 0 382.570 3.404 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000157921729 1424120532 /nfs/dbraw/zinc/12/05/32/1424120532.db2.gz VEWHQOXJBODNCD-MOPGFXCFSA-N 2 0 393.597 3.389 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000157921876 1424120793 /nfs/dbraw/zinc/12/07/93/1424120793.db2.gz VEWHQOXJBODNCD-OALUTQOASA-N 2 0 393.597 3.389 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1S(C)(=O)=O ZINC000157927908 1424121527 /nfs/dbraw/zinc/12/15/27/1424121527.db2.gz OYOWWMMMMXAEBX-IRXDYDNUSA-N 2 0 382.570 3.261 20 0 GGADRP CCC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000158109085 1424168977 /nfs/dbraw/zinc/16/89/77/1424168977.db2.gz UYYTYHRXWJZPTI-UHFFFAOYSA-N 2 0 390.597 3.274 20 0 GGADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000158149798 1424180060 /nfs/dbraw/zinc/18/00/60/1424180060.db2.gz GVHUOGMVVRYFJZ-IBGZPJMESA-N 2 0 390.572 3.425 20 0 GGADRP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000158172180 1424186214 /nfs/dbraw/zinc/18/62/14/1424186214.db2.gz GWOTVKLXMWPIEZ-DOTOQJQBSA-N 2 0 383.577 3.300 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000158172323 1424186294 /nfs/dbraw/zinc/18/62/94/1424186294.db2.gz GWOTVKLXMWPIEZ-NVXWUHKLSA-N 2 0 383.577 3.300 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000158194259 1424191518 /nfs/dbraw/zinc/19/15/18/1424191518.db2.gz CQZJTGAUTHKEME-NRFANRHFSA-N 2 0 389.588 3.411 20 0 GGADRP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000158205124 1424194565 /nfs/dbraw/zinc/19/45/65/1424194565.db2.gz BIVHCKYWXZEPLJ-FUHWJXTLSA-N 2 0 383.577 3.253 20 0 GGADRP C(CCN1CCC[C@H]([NH+]2CCCC2)C1)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158303762 1424221652 /nfs/dbraw/zinc/22/16/52/1424221652.db2.gz GVYHLHXQYUGJRA-GOTSBHOMSA-N 2 0 376.633 3.277 20 0 GGADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000158443760 1424256315 /nfs/dbraw/zinc/25/63/15/1424256315.db2.gz CTLSGLAGLQBRDK-QGZVFWFLSA-N 2 0 384.524 3.010 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000158471261 1424265905 /nfs/dbraw/zinc/26/59/05/1424265905.db2.gz CPDNJCOIGOONJV-LJQANCHMSA-N 2 0 384.524 3.092 20 0 GGADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000158472707 1424266594 /nfs/dbraw/zinc/26/65/94/1424266594.db2.gz WHQFZOUQKORVPJ-OAHLLOKOSA-N 2 0 376.451 3.286 20 0 GGADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000158508035 1424275177 /nfs/dbraw/zinc/27/51/77/1424275177.db2.gz XGBHAQHNJYBEEC-OFNKIYASSA-N 2 0 396.579 3.309 20 0 GGADRP COc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1SC ZINC000158508046 1424275271 /nfs/dbraw/zinc/27/52/71/1424275271.db2.gz KDYGJTFGIYFYDD-INIZCTEOSA-N 2 0 386.565 3.415 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000158583544 1424295721 /nfs/dbraw/zinc/29/57/21/1424295721.db2.gz QJSOEIYZKJHNNV-KURKYZTESA-N 2 0 381.586 3.003 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000158626518 1424304691 /nfs/dbraw/zinc/30/46/91/1424304691.db2.gz YAHUJVFDQFPEAC-UHFFFAOYSA-N 2 0 376.545 3.150 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158671772 1424314635 /nfs/dbraw/zinc/31/46/35/1424314635.db2.gz HVUGMWYUMUQRMH-GBXCKJPGSA-N 2 0 397.563 3.179 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158671900 1424314716 /nfs/dbraw/zinc/31/47/16/1424314716.db2.gz HVUGMWYUMUQRMH-HYBUGGRVSA-N 2 0 397.563 3.179 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859678 1424358729 /nfs/dbraw/zinc/35/87/29/1424358729.db2.gz SOOVVZQSDYSEDI-KRWDZBQOSA-N 2 0 397.585 3.006 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158863118 1424359113 /nfs/dbraw/zinc/35/91/13/1424359113.db2.gz GYRQIQPKIXXDQM-RXVVDRJESA-N 2 0 390.572 3.304 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158862960 1424359479 /nfs/dbraw/zinc/35/94/79/1424359479.db2.gz GYRQIQPKIXXDQM-NQIIRXRSSA-N 2 0 390.572 3.304 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158863277 1424359559 /nfs/dbraw/zinc/35/95/59/1424359559.db2.gz GYRQIQPKIXXDQM-WIYYLYMNSA-N 2 0 390.572 3.304 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158952865 1424380700 /nfs/dbraw/zinc/38/07/00/1424380700.db2.gz LDKQSGDSZNAVAM-GOTSBHOMSA-N 2 0 398.595 3.211 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158952701 1424381082 /nfs/dbraw/zinc/38/10/82/1424381082.db2.gz LDKQSGDSZNAVAM-PKTZIBPZSA-N 2 0 398.595 3.211 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000158959422 1424381806 /nfs/dbraw/zinc/38/18/06/1424381806.db2.gz VGWWKFBBMBZIGL-LJQANCHMSA-N 2 0 392.613 3.237 20 0 GGADRP Cc1nccn1CCCN(C)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000159015268 1424396109 /nfs/dbraw/zinc/39/61/09/1424396109.db2.gz WXYVQCHMRKBPIY-QGZVFWFLSA-N 2 0 385.512 3.139 20 0 GGADRP Cc1nccn1CCCN(C)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000159015409 1424396314 /nfs/dbraw/zinc/39/63/14/1424396314.db2.gz WXYVQCHMRKBPIY-KRWDZBQOSA-N 2 0 385.512 3.139 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159097225 1424416585 /nfs/dbraw/zinc/41/65/85/1424416585.db2.gz MJMKYJATTNXEQE-SFHVURJKSA-N 2 0 386.540 3.151 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000159136030 1424425762 /nfs/dbraw/zinc/42/57/62/1424425762.db2.gz HYOAVGQOGODBQX-KRWDZBQOSA-N 2 0 384.524 3.010 20 0 GGADRP COCCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000159147169 1424428283 /nfs/dbraw/zinc/42/82/83/1424428283.db2.gz OJQLYLQTSCJXRI-UHFFFAOYSA-N 2 0 379.976 3.395 20 0 GGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159167939 1424432936 /nfs/dbraw/zinc/43/29/36/1424432936.db2.gz AFISDMYFTASBJG-GOSISDBHSA-N 2 0 390.535 3.178 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000159171074 1424434614 /nfs/dbraw/zinc/43/46/14/1424434614.db2.gz MEECKZLBCUGBSA-OAHLLOKOSA-N 2 0 397.947 3.156 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159203874 1424442265 /nfs/dbraw/zinc/44/22/65/1424442265.db2.gz XZSYDDUNWLOZGJ-AWEZNQCLSA-N 2 0 394.441 3.425 20 0 GGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000159336924 1424489069 /nfs/dbraw/zinc/48/90/69/1424489069.db2.gz WYTDCQQOTQOWSC-LJQANCHMSA-N 2 0 380.536 3.113 20 0 GGADRP COc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1F ZINC000159340341 1424489779 /nfs/dbraw/zinc/48/97/79/1424489779.db2.gz JBQZMGNXRTYVTQ-UHFFFAOYSA-N 2 0 391.531 3.039 20 0 GGADRP COc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C(C)C)cc1 ZINC000180086612 1429730544 /nfs/dbraw/zinc/73/05/44/1429730544.db2.gz NYHSXYHXGFCPJW-JOCHJYFZSA-N 2 0 383.536 3.474 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000159821169 1424539590 /nfs/dbraw/zinc/53/95/90/1424539590.db2.gz YZBARDJHBPHKST-HDICACEKSA-N 2 0 384.568 3.444 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc2ccccc2n1C ZINC000180098067 1429736855 /nfs/dbraw/zinc/73/68/55/1429736855.db2.gz GSUFJMHDFRKUGH-KRWDZBQOSA-N 2 0 378.520 3.381 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)nc(C)n1 ZINC000162253445 1424831493 /nfs/dbraw/zinc/83/14/93/1424831493.db2.gz UNMGOAOSGLALIL-SFHVURJKSA-N 2 0 397.567 3.353 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCOCC2CCOCC2)CC1 ZINC000180142193 1429756658 /nfs/dbraw/zinc/75/66/58/1429756658.db2.gz VJSGSEGXCFZBJA-UHFFFAOYSA-N 2 0 395.975 3.015 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000162416405 1424848947 /nfs/dbraw/zinc/84/89/47/1424848947.db2.gz ZOUMNFDEGKJUEK-MOPGFXCFSA-N 2 0 376.545 3.084 20 0 GGADRP c1ccc(C[C@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000162433613 1424851208 /nfs/dbraw/zinc/85/12/08/1424851208.db2.gz JIOVRCKLJRVCNQ-HSZRJFAPSA-N 2 0 385.596 3.317 20 0 GGADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162489985 1424858659 /nfs/dbraw/zinc/85/86/59/1424858659.db2.gz QNSUAYAEACNDKQ-HNNXBMFYSA-N 2 0 390.915 3.182 20 0 GGADRP COc1ccc(C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000162512426 1424860678 /nfs/dbraw/zinc/86/06/78/1424860678.db2.gz CGWFCLPTQFEDPI-DEOSSOPVSA-N 2 0 397.563 3.215 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162529314 1424862274 /nfs/dbraw/zinc/86/22/74/1424862274.db2.gz QYTVKCRWGZNVBW-HSZRJFAPSA-N 2 0 385.527 3.345 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000162559646 1424866097 /nfs/dbraw/zinc/86/60/97/1424866097.db2.gz UGTGIUWDZVKYJP-ZDUSSCGKSA-N 2 0 393.425 3.178 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591970 1424869725 /nfs/dbraw/zinc/86/97/25/1424869725.db2.gz UNWZMWDXGBZRLZ-CVDCTZTESA-N 2 0 382.552 3.022 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC)cc1Cl ZINC000162796449 1424891170 /nfs/dbraw/zinc/89/11/70/1424891170.db2.gz RRAGEPQVVZUHRG-PBHICJAKSA-N 2 0 395.931 3.102 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162897693 1424901394 /nfs/dbraw/zinc/90/13/94/1424901394.db2.gz BHZGVROWCGIJNU-OAQYLSRUSA-N 2 0 386.584 3.318 20 0 GGADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000163413677 1424994190 /nfs/dbraw/zinc/99/41/90/1424994190.db2.gz KUZRRBMZKKAOHV-SFHVURJKSA-N 2 0 375.557 3.315 20 0 GGADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000163493888 1425007639 /nfs/dbraw/zinc/00/76/39/1425007639.db2.gz IBMRLRQAXHOPTQ-CQSZACIVSA-N 2 0 380.602 3.291 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000163501832 1425008235 /nfs/dbraw/zinc/00/82/35/1425008235.db2.gz GNXNUHQGJMSNHM-IBGZPJMESA-N 2 0 391.531 3.256 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(F)c1 ZINC000163496692 1425008544 /nfs/dbraw/zinc/00/85/44/1425008544.db2.gz HXSOPQWMGHHRQD-OAHLLOKOSA-N 2 0 379.520 3.112 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163506117 1425008822 /nfs/dbraw/zinc/00/88/22/1425008822.db2.gz LZMWQIUVQKTOAD-SFHVURJKSA-N 2 0 389.584 3.233 20 0 GGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163502498 1425009027 /nfs/dbraw/zinc/00/90/27/1425009027.db2.gz VHBOFXUWWHRXKR-HXUWFJFHSA-N 2 0 387.568 3.425 20 0 GGADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163515778 1425010812 /nfs/dbraw/zinc/01/08/12/1425010812.db2.gz JOPFGYOAFDQJBN-KRWDZBQOSA-N 2 0 375.557 3.281 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000180158442 1429769750 /nfs/dbraw/zinc/76/97/50/1429769750.db2.gz OQMFDJCNOXUUBC-OXJNMPFZSA-N 2 0 396.000 3.236 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000163537101 1425013607 /nfs/dbraw/zinc/01/36/07/1425013607.db2.gz ORKKQRSITQTYLO-HXUWFJFHSA-N 2 0 389.609 3.233 20 0 GGADRP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163540126 1425014901 /nfs/dbraw/zinc/01/49/01/1425014901.db2.gz OIWINKBCIWAFKA-KRWDZBQOSA-N 2 0 375.557 3.363 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000163566929 1425019085 /nfs/dbraw/zinc/01/90/85/1425019085.db2.gz HADVTZZVFRGXSH-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000163566810 1425019378 /nfs/dbraw/zinc/01/93/78/1425019378.db2.gz HADVTZZVFRGXSH-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163685336 1425033467 /nfs/dbraw/zinc/03/34/67/1425033467.db2.gz GODBUPQAMZXAOV-FQEVSTJZSA-N 2 0 397.563 3.310 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000163779325 1425043550 /nfs/dbraw/zinc/04/35/50/1425043550.db2.gz ZYGVYRIBHJIWGA-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000163789158 1425044355 /nfs/dbraw/zinc/04/43/55/1425044355.db2.gz ZQQYLMHBGMTIJM-KRWDZBQOSA-N 2 0 389.565 3.287 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCc1ccccc1 ZINC000180160463 1429772497 /nfs/dbraw/zinc/77/24/97/1429772497.db2.gz QIGBSCNXMUICID-FDTGPBLFSA-N 2 0 377.532 3.192 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000163860197 1425051702 /nfs/dbraw/zinc/05/17/02/1425051702.db2.gz BQNJVFICMCSZLY-OAQYLSRUSA-N 2 0 383.923 3.308 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CCOC1 ZINC000163968642 1425063349 /nfs/dbraw/zinc/06/33/49/1425063349.db2.gz ZMLYIQMNBNCOSJ-SIKLNZKXSA-N 2 0 376.541 3.081 20 0 GGADRP CC(C)[NH+]1CCC(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CC1 ZINC000163973112 1425064908 /nfs/dbraw/zinc/06/49/08/1425064908.db2.gz SOQRSXNEAQQQSO-UHFFFAOYSA-N 2 0 389.584 3.139 20 0 GGADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163974840 1425065035 /nfs/dbraw/zinc/06/50/35/1425065035.db2.gz DIVHNYAYQGYVFC-JOCHJYFZSA-N 2 0 398.551 3.077 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000164258611 1425092900 /nfs/dbraw/zinc/09/29/00/1425092900.db2.gz AHXOVWLFGNDWDL-BZSNNMDCSA-N 2 0 388.556 3.037 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000164585473 1425126293 /nfs/dbraw/zinc/12/62/93/1425126293.db2.gz VPBPGKLKJDVROS-GOSISDBHSA-N 2 0 377.532 3.174 20 0 GGADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000164851756 1425147449 /nfs/dbraw/zinc/14/74/49/1425147449.db2.gz LBAYZAXVQNXGHB-UHFFFAOYSA-N 2 0 380.492 3.212 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1OC ZINC000164938653 1425152495 /nfs/dbraw/zinc/15/24/95/1425152495.db2.gz ICQAKRATSCDQOA-IBGZPJMESA-N 2 0 386.540 3.317 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000165474883 1425180878 /nfs/dbraw/zinc/18/08/78/1425180878.db2.gz NEBLKXSPYNDEJH-UXPWSPDFSA-N 2 0 379.976 3.422 20 0 GGADRP CC[N@@H+]1CC[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584156 1425186219 /nfs/dbraw/zinc/18/62/19/1425186219.db2.gz RFHVONVLHNGTCS-APWZRJJASA-N 2 0 398.517 3.277 20 0 GGADRP CCC[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000165576082 1425186679 /nfs/dbraw/zinc/18/66/79/1425186679.db2.gz BZGNZJVLHDSNJL-UHFFFAOYSA-N 2 0 398.517 3.421 20 0 GGADRP CC(C)[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000165599251 1425187301 /nfs/dbraw/zinc/18/73/01/1425187301.db2.gz LLGDEAMMKGRUKQ-UHFFFAOYSA-N 2 0 398.517 3.420 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000166060949 1425205610 /nfs/dbraw/zinc/20/56/10/1425205610.db2.gz QOBQVIFMOPUIIN-QGZVFWFLSA-N 2 0 385.955 3.390 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccn1C1CC[NH2+]CC1 ZINC000166205374 1425208234 /nfs/dbraw/zinc/20/82/34/1425208234.db2.gz FXEAYMGXHZRQJG-KRWDZBQOSA-N 2 0 386.565 3.116 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccn1C1CC[NH2+]CC1 ZINC000166205486 1425208281 /nfs/dbraw/zinc/20/82/81/1425208281.db2.gz FXEAYMGXHZRQJG-QGZVFWFLSA-N 2 0 386.565 3.116 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000166706589 1425216386 /nfs/dbraw/zinc/21/63/86/1425216386.db2.gz JBWRCKJUWAWZIS-OAQYLSRUSA-N 2 0 381.545 3.103 20 0 GGADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166701386 1425216450 /nfs/dbraw/zinc/21/64/50/1425216450.db2.gz MBNOYFHCUBBFNP-RTBURBONSA-N 2 0 396.501 3.174 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2F)CC1 ZINC000167431225 1425225559 /nfs/dbraw/zinc/22/55/59/1425225559.db2.gz CSTOGQLHLVFSPP-UIAACRFSSA-N 2 0 388.531 3.215 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)C1CC[NH+](C)CC1 ZINC000167446640 1425226869 /nfs/dbraw/zinc/22/68/69/1425226869.db2.gz YAEOLJAVOLSCOT-QGZVFWFLSA-N 2 0 381.524 3.223 20 0 GGADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168189164 1425236087 /nfs/dbraw/zinc/23/60/87/1425236087.db2.gz XGIGZEZJFOATKF-GOSISDBHSA-N 2 0 383.515 3.124 20 0 GGADRP [NH3+][C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000168542739 1425238401 /nfs/dbraw/zinc/23/84/01/1425238401.db2.gz XTFCNRFJFUXLPV-OAQYLSRUSA-N 2 0 380.492 3.140 20 0 GGADRP [NH3+][C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000168542643 1425238428 /nfs/dbraw/zinc/23/84/28/1425238428.db2.gz XTFCNRFJFUXLPV-NRFANRHFSA-N 2 0 380.492 3.140 20 0 GGADRP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000168953804 1425240714 /nfs/dbraw/zinc/24/07/14/1425240714.db2.gz NGAUQFHOXTYNCW-KXBFYZLASA-N 2 0 397.485 3.422 20 0 GGADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941348 1425240766 /nfs/dbraw/zinc/24/07/66/1425240766.db2.gz PLAMSBUVNTXPQA-IBGZPJMESA-N 2 0 398.016 3.247 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169137753 1425243943 /nfs/dbraw/zinc/24/39/43/1425243943.db2.gz PECFQZKHXSAMQY-NUJGCVRESA-N 2 0 383.458 3.204 20 0 GGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000170900180 1425385623 /nfs/dbraw/zinc/38/56/23/1425385623.db2.gz GASISSMQYHRBRD-LJQANCHMSA-N 2 0 378.605 3.403 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000171042932 1425452234 /nfs/dbraw/zinc/45/22/34/1425452234.db2.gz ITCSGBWVBHUUMD-UHFFFAOYSA-N 2 0 386.584 3.339 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171129760 1425496740 /nfs/dbraw/zinc/49/67/40/1425496740.db2.gz MTJYOZIQVTYKQH-KRWDZBQOSA-N 2 0 387.549 3.139 20 0 GGADRP Cc1nccn1C[C@H](C)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171215748 1425544376 /nfs/dbraw/zinc/54/43/76/1425544376.db2.gz CRBRHCOJJBSXAG-HXUWFJFHSA-N 2 0 397.567 3.178 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)o1 ZINC000171239471 1425560871 /nfs/dbraw/zinc/56/08/71/1425560871.db2.gz SYRIZAYKVFPQFJ-GOSISDBHSA-N 2 0 376.545 3.287 20 0 GGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171305536 1425605767 /nfs/dbraw/zinc/60/57/67/1425605767.db2.gz UTMGXPQMCLCOIX-FQEVSTJZSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000171304590 1425605907 /nfs/dbraw/zinc/60/59/07/1425605907.db2.gz IGGPOXUIFIBKLY-IAGOWNOFSA-N 2 0 393.959 3.490 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000171309284 1425608780 /nfs/dbraw/zinc/60/87/80/1425608780.db2.gz OUAHEDXOKZYRNF-OAQYLSRUSA-N 2 0 384.568 3.024 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000171526726 1425717720 /nfs/dbraw/zinc/71/77/20/1425717720.db2.gz MNRSSHIOYGNUDN-HSZRJFAPSA-N 2 0 379.548 3.477 20 0 GGADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000171530275 1425718585 /nfs/dbraw/zinc/71/85/85/1425718585.db2.gz QRONSKCAYHCDEG-LJQANCHMSA-N 2 0 388.581 3.433 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000171564817 1425738658 /nfs/dbraw/zinc/73/86/58/1425738658.db2.gz IFEJTKUODVUTPN-FQEVSTJZSA-N 2 0 386.584 3.113 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620328 1425760569 /nfs/dbraw/zinc/76/05/69/1425760569.db2.gz HJLYNEHWQLBVGU-MOPGFXCFSA-N 2 0 378.586 3.401 20 0 GGADRP COc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000171896920 1425846915 /nfs/dbraw/zinc/84/69/15/1425846915.db2.gz SLFJKEJSXGIHHB-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000171964763 1425863933 /nfs/dbraw/zinc/86/39/33/1425863933.db2.gz QOMLOOONNRPRTM-IBGZPJMESA-N 2 0 383.580 3.320 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000172042712 1425880996 /nfs/dbraw/zinc/88/09/96/1425880996.db2.gz NQEWBMLQNAHDBP-UHFFFAOYSA-N 2 0 387.572 3.085 20 0 GGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000172223610 1425953882 /nfs/dbraw/zinc/95/38/82/1425953882.db2.gz XPAKMQANBCBYSA-ICSRJNTNSA-N 2 0 376.589 3.157 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000172246779 1425964363 /nfs/dbraw/zinc/96/43/63/1425964363.db2.gz CNKOGWHIHLIQSX-UHFFFAOYSA-N 2 0 390.531 3.241 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000172247431 1425965348 /nfs/dbraw/zinc/96/53/48/1425965348.db2.gz AOJYITANZAXPKP-UHFFFAOYSA-N 2 0 389.584 3.143 20 0 GGADRP CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172251278 1425967498 /nfs/dbraw/zinc/96/74/98/1425967498.db2.gz KBMOPIFANCOUCJ-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP Cc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000172501221 1426061178 /nfs/dbraw/zinc/06/11/78/1426061178.db2.gz LYEBUDPXIBTWHA-UHFFFAOYSA-N 2 0 388.556 3.418 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172527736 1426071383 /nfs/dbraw/zinc/07/13/83/1426071383.db2.gz NRACLPBLRDZUDB-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172527743 1426071782 /nfs/dbraw/zinc/07/17/82/1426071782.db2.gz WQDGSZKCLXBUFG-UHFFFAOYSA-N 2 0 384.568 3.442 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000172631997 1426119753 /nfs/dbraw/zinc/11/97/53/1426119753.db2.gz NNAJKMZWPZAFFU-OAQYLSRUSA-N 2 0 388.556 3.007 20 0 GGADRP COc1ccc(Cl)cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172651223 1426128186 /nfs/dbraw/zinc/12/81/86/1426128186.db2.gz ZERGIHIQHHYSDM-UHFFFAOYSA-N 2 0 395.975 3.265 20 0 GGADRP CCCOc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000172655409 1426129558 /nfs/dbraw/zinc/12/95/58/1426129558.db2.gz CRNKCAZSFHHAHS-SFHVURJKSA-N 2 0 376.545 3.355 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000172655040 1426129600 /nfs/dbraw/zinc/12/96/00/1426129600.db2.gz WGBRITPOJCVMPH-INIZCTEOSA-N 2 0 384.471 3.168 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000172984055 1426293894 /nfs/dbraw/zinc/29/38/94/1426293894.db2.gz USQXIMJCADXFMH-UHFFFAOYSA-N 2 0 397.510 3.204 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000173187806 1426382752 /nfs/dbraw/zinc/38/27/52/1426382752.db2.gz ODNKMSGUMHYRMR-KRWDZBQOSA-N 2 0 398.498 3.476 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173250529 1426431186 /nfs/dbraw/zinc/43/11/86/1426431186.db2.gz NHEZZPUPZRPXQH-FQEVSTJZSA-N 2 0 399.583 3.087 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173324947 1426506036 /nfs/dbraw/zinc/50/60/36/1426506036.db2.gz HTKIWSCKUMGWLX-MSOLQXFVSA-N 2 0 381.586 3.242 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000173349478 1426527437 /nfs/dbraw/zinc/52/74/37/1426527437.db2.gz NUZOLTJLQHXJII-OALUTQOASA-N 2 0 376.545 3.180 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173387649 1426565057 /nfs/dbraw/zinc/56/50/57/1426565057.db2.gz UXKNAXKCBCYONX-KRWDZBQOSA-N 2 0 389.565 3.239 20 0 GGADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173411276 1426594335 /nfs/dbraw/zinc/59/43/35/1426594335.db2.gz SPWNAYCVPRWPIU-GOSISDBHSA-N 2 0 381.586 3.244 20 0 GGADRP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173503344 1426672568 /nfs/dbraw/zinc/67/25/68/1426672568.db2.gz IHGTUJXCRJZXAL-QHCPKHFHSA-N 2 0 399.579 3.145 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000173557944 1426729760 /nfs/dbraw/zinc/72/97/60/1426729760.db2.gz QIIGLSRJENOJJH-FQEVSTJZSA-N 2 0 392.975 3.430 20 0 GGADRP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCC1 ZINC000173617625 1426798477 /nfs/dbraw/zinc/79/84/77/1426798477.db2.gz CKBHAXIMZHTCBE-UHFFFAOYSA-N 2 0 392.547 3.432 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000173705732 1426827254 /nfs/dbraw/zinc/82/72/54/1426827254.db2.gz PBOPUVCOUSKBGA-IBGZPJMESA-N 2 0 397.947 3.012 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000173830570 1426863128 /nfs/dbraw/zinc/86/31/28/1426863128.db2.gz QZZSIWFNBYPDNG-UHFFFAOYSA-N 2 0 396.535 3.072 20 0 GGADRP CC[NH+](C)C[C@H]1CCN(Cc2cccc(CN3CC[C@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000173885555 1426881053 /nfs/dbraw/zinc/88/10/53/1426881053.db2.gz SKSNMMVLKXFKHT-DNQXCXABSA-N 2 0 386.628 3.234 20 0 GGADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000173895428 1426883709 /nfs/dbraw/zinc/88/37/09/1426883709.db2.gz HOJWOZCGAZUHSP-LJQANCHMSA-N 2 0 383.540 3.091 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000173930706 1426897231 /nfs/dbraw/zinc/89/72/31/1426897231.db2.gz YXEOUVFVQPEOOM-SFHVURJKSA-N 2 0 398.555 3.141 20 0 GGADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000173951426 1426906384 /nfs/dbraw/zinc/90/63/84/1426906384.db2.gz TWADUGSJBALFPH-HSZRJFAPSA-N 2 0 399.579 3.147 20 0 GGADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000173953130 1426907206 /nfs/dbraw/zinc/90/72/06/1426907206.db2.gz AKYGELGZKPTRCD-HXUWFJFHSA-N 2 0 387.568 3.057 20 0 GGADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000173953141 1426907553 /nfs/dbraw/zinc/90/75/53/1426907553.db2.gz AKYGELGZKPTRCD-FQEVSTJZSA-N 2 0 387.568 3.057 20 0 GGADRP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958855 1426909661 /nfs/dbraw/zinc/90/96/61/1426909661.db2.gz CVTFGAKUCDQUMM-FQEVSTJZSA-N 2 0 387.568 3.000 20 0 GGADRP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961913 1426911970 /nfs/dbraw/zinc/91/19/70/1426911970.db2.gz ZSRMGISZSHMRBA-QFIPXVFZSA-N 2 0 398.547 3.156 20 0 GGADRP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961866 1426912217 /nfs/dbraw/zinc/91/22/17/1426912217.db2.gz CCODRBCREWIYBV-OAQYLSRUSA-N 2 0 398.547 3.156 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174118895 1427009639 /nfs/dbraw/zinc/00/96/39/1427009639.db2.gz OOQRBWQYVAOAOI-IBGZPJMESA-N 2 0 390.547 3.163 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000174155321 1427023841 /nfs/dbraw/zinc/02/38/41/1427023841.db2.gz JMJKMXSQMQFYKK-NRFANRHFSA-N 2 0 381.451 3.367 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCC(F)(F)F ZINC000174154962 1427024141 /nfs/dbraw/zinc/02/41/41/1427024141.db2.gz OGYCOOFGCIQQQX-AWEZNQCLSA-N 2 0 383.414 3.068 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157060 1427024496 /nfs/dbraw/zinc/02/44/96/1427024496.db2.gz PPVQWHYHNHNDER-IEBWSBKVSA-N 2 0 378.586 3.258 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174205376 1427049867 /nfs/dbraw/zinc/04/98/67/1427049867.db2.gz ABTGZNQXCJUTBG-QFIPXVFZSA-N 2 0 384.568 3.026 20 0 GGADRP O=c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2cc3c(cc2o1)CCC3 ZINC000174237985 1427064070 /nfs/dbraw/zinc/06/40/70/1427064070.db2.gz XMZAHLQETWIKNI-UHFFFAOYSA-N 2 0 396.531 3.359 20 0 GGADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241778 1427065825 /nfs/dbraw/zinc/06/58/25/1427065825.db2.gz SQWPATRNPQQUJC-GOSISDBHSA-N 2 0 396.535 3.139 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174267611 1427076910 /nfs/dbraw/zinc/07/69/10/1427076910.db2.gz WOBLQIISGYJEGI-UXHICEINSA-N 2 0 384.568 3.339 20 0 GGADRP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400266 1427139573 /nfs/dbraw/zinc/13/95/73/1427139573.db2.gz HMUAEMVGGOZPFB-FQEVSTJZSA-N 2 0 394.519 3.179 20 0 GGADRP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400282 1427139647 /nfs/dbraw/zinc/13/96/47/1427139647.db2.gz HMUAEMVGGOZPFB-HXUWFJFHSA-N 2 0 394.519 3.179 20 0 GGADRP C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403564 1427142023 /nfs/dbraw/zinc/14/20/23/1427142023.db2.gz QZJURPLUMUGOTI-UNMCSNQZSA-N 2 0 386.511 3.157 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174405654 1427143357 /nfs/dbraw/zinc/14/33/57/1427143357.db2.gz CDHKQVOOTPPVHD-FQEVSTJZSA-N 2 0 395.975 3.013 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000174435888 1427155654 /nfs/dbraw/zinc/15/56/54/1427155654.db2.gz WKWHBRKPSKGHGG-UHFFFAOYSA-N 2 0 392.613 3.150 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000174460140 1427165929 /nfs/dbraw/zinc/16/59/29/1427165929.db2.gz AONJKVFGYXACIR-RBUKOAKNSA-N 2 0 392.613 3.333 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000174519277 1427199152 /nfs/dbraw/zinc/19/91/52/1427199152.db2.gz XAFTXMHBMFPAOZ-NRFANRHFSA-N 2 0 375.557 3.315 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174525110 1427203393 /nfs/dbraw/zinc/20/33/93/1427203393.db2.gz WJJYFYGOTJDBTQ-NRFANRHFSA-N 2 0 386.584 3.414 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000174602745 1427253877 /nfs/dbraw/zinc/25/38/77/1427253877.db2.gz KAIXRPYGDUPGNF-KDURUIRLSA-N 2 0 387.568 3.032 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000174602770 1427253970 /nfs/dbraw/zinc/25/39/70/1427253970.db2.gz KAIXRPYGDUPGNF-RTBURBONSA-N 2 0 387.568 3.032 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000174960124 1427467698 /nfs/dbraw/zinc/46/76/98/1427467698.db2.gz USFUKVLTOMXWEN-FQEVSTJZSA-N 2 0 397.567 3.481 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)c2)C1 ZINC000175008924 1427494790 /nfs/dbraw/zinc/49/47/90/1427494790.db2.gz ZKXTZSVEYQXHEV-SIKLNZKXSA-N 2 0 381.495 3.300 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175418359 1427744380 /nfs/dbraw/zinc/74/43/80/1427744380.db2.gz MJBJQHXUSFQLCI-XMSQKQJNSA-N 2 0 384.568 3.213 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000175477293 1427776817 /nfs/dbraw/zinc/77/68/17/1427776817.db2.gz MSVQDOODICELCK-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000175482478 1427779053 /nfs/dbraw/zinc/77/90/53/1427779053.db2.gz CIFQIRLWZFFQGV-RBBKRZOGSA-N 2 0 386.584 3.272 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000175539922 1427808624 /nfs/dbraw/zinc/80/86/24/1427808624.db2.gz FBXVYSJUJMSQEL-ZJOUEHCJSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000175539902 1427808756 /nfs/dbraw/zinc/80/87/56/1427808756.db2.gz FBXVYSJUJMSQEL-ZVDOUQERSA-N 2 0 388.556 3.004 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000175554072 1427813019 /nfs/dbraw/zinc/81/30/19/1427813019.db2.gz JCBVULBAAAQMKP-FGZHOGPDSA-N 2 0 386.584 3.272 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000175554093 1427813212 /nfs/dbraw/zinc/81/32/12/1427813212.db2.gz JCBVULBAAAQMKP-FCHUYYIVSA-N 2 0 386.584 3.272 20 0 GGADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000175579881 1427821267 /nfs/dbraw/zinc/82/12/67/1427821267.db2.gz IUOKVZAVGDOCIW-SBHAEUEKSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614441 1427832638 /nfs/dbraw/zinc/83/26/38/1427832638.db2.gz RENSWVVDWNGNIR-KDURUIRLSA-N 2 0 378.605 3.451 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000175643803 1427842091 /nfs/dbraw/zinc/84/20/91/1427842091.db2.gz NOWBNOKIPZBCGE-WOJBJXKFSA-N 2 0 392.975 3.476 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000175687866 1427857887 /nfs/dbraw/zinc/85/78/87/1427857887.db2.gz DMAUCICCZGEMNU-IBGZPJMESA-N 2 0 376.545 3.369 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175783338 1427891111 /nfs/dbraw/zinc/89/11/11/1427891111.db2.gz KZPOEQNLLZUFTO-UHFFFAOYSA-N 2 0 395.503 3.365 20 0 GGADRP CCOCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000175932119 1427980754 /nfs/dbraw/zinc/98/07/54/1427980754.db2.gz GVVAULMMWOZKCN-FQEVSTJZSA-N 2 0 376.545 3.103 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC000176004786 1428022796 /nfs/dbraw/zinc/02/27/96/1428022796.db2.gz DFBKKUVIZGYSIW-SFHVURJKSA-N 2 0 389.588 3.235 20 0 GGADRP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000176012190 1428026719 /nfs/dbraw/zinc/02/67/19/1428026719.db2.gz BCSSPWGPMNWGMW-HXUWFJFHSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000176202763 1428164573 /nfs/dbraw/zinc/16/45/73/1428164573.db2.gz ZVSWHKMFTPIQKH-GOSISDBHSA-N 2 0 385.512 3.221 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180300984 1429829772 /nfs/dbraw/zinc/82/97/72/1429829772.db2.gz PBOFXCAOTYIFIU-JZXOWHBKSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180301000 1429829836 /nfs/dbraw/zinc/82/98/36/1429829836.db2.gz PBOFXCAOTYIFIU-NUJGCVRESA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180301924 1429829996 /nfs/dbraw/zinc/82/99/96/1429829996.db2.gz ZOHDXCWBFUEBFA-NSHGMRRFSA-N 2 0 388.556 3.369 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180313206 1429833787 /nfs/dbraw/zinc/83/37/87/1429833787.db2.gz CQWCOOUQIHPWML-GOSISDBHSA-N 2 0 387.572 3.108 20 0 GGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180392368 1429854698 /nfs/dbraw/zinc/85/46/98/1429854698.db2.gz UJOPDAMSAOHFKI-LJQANCHMSA-N 2 0 387.572 3.204 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180396975 1429856527 /nfs/dbraw/zinc/85/65/27/1429856527.db2.gz QDWGSRDAHNSRTK-HXUWFJFHSA-N 2 0 387.572 3.061 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000180424532 1429865531 /nfs/dbraw/zinc/86/55/31/1429865531.db2.gz MKHQYQNQZKLLLO-TZIWHRDSSA-N 2 0 387.572 3.202 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000180475411 1429878215 /nfs/dbraw/zinc/87/82/15/1429878215.db2.gz DUEMVDONNODZAG-GOSISDBHSA-N 2 0 377.492 3.192 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633453 1429944831 /nfs/dbraw/zinc/94/48/31/1429944831.db2.gz CNBAEKGGFYSOPR-HDICACEKSA-N 2 0 376.589 3.429 20 0 GGADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180665348 1429963871 /nfs/dbraw/zinc/96/38/71/1429963871.db2.gz RVCZBPNWIQCOJW-FQEVSTJZSA-N 2 0 390.597 3.082 20 0 GGADRP CCC[C@H](C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@@H](CCC)[NH+](C)C)[NH+](C)C ZINC000180765511 1430027283 /nfs/dbraw/zinc/02/72/83/1430027283.db2.gz OYAQFSCOZVRNOV-PWIZWCRZSA-N 2 0 390.572 3.263 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180771096 1430030233 /nfs/dbraw/zinc/03/02/33/1430030233.db2.gz UKXSRCSLBFUXEA-JXFKEZNVSA-N 2 0 385.483 3.222 20 0 GGADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000180776415 1430032742 /nfs/dbraw/zinc/03/27/42/1430032742.db2.gz AFSVTPXTWSNLEY-RXVVDRJESA-N 2 0 397.567 3.299 20 0 GGADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000180837758 1430064699 /nfs/dbraw/zinc/06/46/99/1430064699.db2.gz ZTQVCTODZXLDPH-WXDAQCLHSA-N 2 0 395.588 3.180 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CC2 ZINC000180974386 1430145674 /nfs/dbraw/zinc/14/56/74/1430145674.db2.gz ALUQRGYUZKKCLB-QHCPKHFHSA-N 2 0 393.531 3.298 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)nc1 ZINC000180976287 1430146920 /nfs/dbraw/zinc/14/69/20/1430146920.db2.gz HZBHMWXSIQNHDS-INIZCTEOSA-N 2 0 386.927 3.411 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000180977271 1430147553 /nfs/dbraw/zinc/14/75/53/1430147553.db2.gz WTEWKWTXDKQQLM-KRWDZBQOSA-N 2 0 395.503 3.092 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000180977140 1430147566 /nfs/dbraw/zinc/14/75/66/1430147566.db2.gz WTZQMBVLASQALJ-JOCHJYFZSA-N 2 0 381.495 3.428 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000180977157 1430147584 /nfs/dbraw/zinc/14/75/84/1430147584.db2.gz WTZQMBVLASQALJ-QFIPXVFZSA-N 2 0 381.495 3.428 20 0 GGADRP COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976329 1430147603 /nfs/dbraw/zinc/14/76/03/1430147603.db2.gz WGIDEGIIQORJGV-IBGZPJMESA-N 2 0 395.547 3.242 20 0 GGADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180996987 1430158518 /nfs/dbraw/zinc/15/85/18/1430158518.db2.gz FHKRVCFQNQGEJL-JOCHJYFZSA-N 2 0 381.520 3.154 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000180997429 1430158755 /nfs/dbraw/zinc/15/87/55/1430158755.db2.gz IFLMSZZBAHYMFH-OAHLLOKOSA-N 2 0 382.533 3.439 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000180997410 1430158852 /nfs/dbraw/zinc/15/88/52/1430158852.db2.gz IFLMSZZBAHYMFH-HNNXBMFYSA-N 2 0 382.533 3.439 20 0 GGADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000181117161 1430216318 /nfs/dbraw/zinc/21/63/18/1430216318.db2.gz PQYHKLSXHDLAKQ-MRXNPFEDSA-N 2 0 386.540 3.305 20 0 GGADRP C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000181152089 1430229008 /nfs/dbraw/zinc/22/90/08/1430229008.db2.gz ONFMXRSNNMSFKJ-SFHVURJKSA-N 2 0 397.519 3.093 20 0 GGADRP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000181287881 1430263544 /nfs/dbraw/zinc/26/35/44/1430263544.db2.gz URMXRZCBQAJMSS-XLIONFOSSA-N 2 0 397.519 3.092 20 0 GGADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000181287865 1430263550 /nfs/dbraw/zinc/26/35/50/1430263550.db2.gz URMXRZCBQAJMSS-PXNSSMCTSA-N 2 0 397.519 3.092 20 0 GGADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181413989 1430292157 /nfs/dbraw/zinc/29/21/57/1430292157.db2.gz DTPOUCLTEWPRBV-YSZBQJHXSA-N 3 0 389.584 3.046 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418552 1430293623 /nfs/dbraw/zinc/29/36/23/1430293623.db2.gz QREDDBADLDBPQS-NDXORKPFSA-N 2 0 387.524 3.062 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418521 1430293764 /nfs/dbraw/zinc/29/37/64/1430293764.db2.gz QREDDBADLDBPQS-DQLDELGASA-N 2 0 387.524 3.062 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000181431357 1430297262 /nfs/dbraw/zinc/29/72/62/1430297262.db2.gz NMIIGCHMYOJYOV-RXVVDRJESA-N 2 0 383.536 3.259 20 0 GGADRP C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181507154 1430312286 /nfs/dbraw/zinc/31/22/86/1430312286.db2.gz ORAANXLAQBMZGJ-QZTJIDSGSA-N 2 0 381.520 3.212 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000181518645 1430314217 /nfs/dbraw/zinc/31/42/17/1430314217.db2.gz XEGSORKTPHXEJH-RBUKOAKNSA-N 2 0 393.597 3.245 20 0 GGADRP CCC(CC)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)OC ZINC000181569798 1430321564 /nfs/dbraw/zinc/32/15/64/1430321564.db2.gz WEQHVMMFVBEGDE-UHFFFAOYSA-N 2 0 375.557 3.286 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000181577576 1430322829 /nfs/dbraw/zinc/32/28/29/1430322829.db2.gz HXZCRQKDIJNFHV-GOSISDBHSA-N 2 0 381.520 3.132 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000181625861 1430329866 /nfs/dbraw/zinc/32/98/66/1430329866.db2.gz SGDFKXTYRNKHPH-GOSISDBHSA-N 2 0 390.547 3.021 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCC(F)(F)F)CC1 ZINC000181627456 1430330083 /nfs/dbraw/zinc/33/00/83/1430330083.db2.gz ARQOWCPETSMRQU-CQSZACIVSA-N 2 0 377.426 3.197 20 0 GGADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000181626946 1430330405 /nfs/dbraw/zinc/33/04/05/1430330405.db2.gz OYAWXCFYUATCRP-UHFFFAOYSA-N 2 0 395.979 3.286 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000181629473 1430331017 /nfs/dbraw/zinc/33/10/17/1430331017.db2.gz BISGLTHZITUBBB-DLBZAZTESA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000181634690 1430331987 /nfs/dbraw/zinc/33/19/87/1430331987.db2.gz GUQFQBZQLKVNCO-FXAWDEMLSA-N 2 0 390.547 3.018 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000181635777 1430332389 /nfs/dbraw/zinc/33/23/89/1430332389.db2.gz NWWPBNOVQGUBDM-KSFYIVLOSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000181635973 1430332484 /nfs/dbraw/zinc/33/24/84/1430332484.db2.gz LXWYVSOPNJTOQA-ZHRRBRCNSA-N 2 0 389.490 3.491 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C12CCCCC2 ZINC000181670234 1430338914 /nfs/dbraw/zinc/33/89/14/1430338914.db2.gz CRPNWEAVOWQHOB-LEWJYISDSA-N 2 0 387.568 3.196 20 0 GGADRP C[C@H](CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000181703361 1430344129 /nfs/dbraw/zinc/34/41/29/1430344129.db2.gz ZKSNUTLYUIDPKM-IRLDBZIGSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000181813253 1430365882 /nfs/dbraw/zinc/36/58/82/1430365882.db2.gz KPIVHVMIOZVKCD-CTNGQTDRSA-N 2 0 395.547 3.326 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000181920272 1430383497 /nfs/dbraw/zinc/38/34/97/1430383497.db2.gz RLGJDZHUVTXMDM-LJQANCHMSA-N 2 0 380.536 3.113 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000181972131 1430390426 /nfs/dbraw/zinc/39/04/26/1430390426.db2.gz NKFVMYXNGFVPHG-SFHVURJKSA-N 2 0 380.536 3.243 20 0 GGADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031414 1430399240 /nfs/dbraw/zinc/39/92/40/1430399240.db2.gz IVXWAQABVSORIR-RTBURBONSA-N 2 0 387.572 3.171 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182052590 1430402370 /nfs/dbraw/zinc/40/23/70/1430402370.db2.gz SHMVGHQPGITOPX-FQEVSTJZSA-N 2 0 385.483 3.121 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)C1CC[NH+](C)CC1 ZINC000182089012 1430409642 /nfs/dbraw/zinc/40/96/42/1430409642.db2.gz UIVDXCACFURKDC-HXUWFJFHSA-N 2 0 395.595 3.405 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182140296 1430418796 /nfs/dbraw/zinc/41/87/96/1430418796.db2.gz PLXUJCFEBVCDBX-HXUWFJFHSA-N 2 0 385.483 3.121 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)ccc1OC ZINC000182215613 1430431086 /nfs/dbraw/zinc/43/10/86/1430431086.db2.gz NNAGINVXFSBGRC-SFHVURJKSA-N 2 0 377.573 3.298 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182215727 1430431292 /nfs/dbraw/zinc/43/12/92/1430431292.db2.gz UVGVCJCOQTVOEM-LJQANCHMSA-N 2 0 389.584 3.443 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000182215837 1430431389 /nfs/dbraw/zinc/43/13/89/1430431389.db2.gz OGFJMDJXDLQUSU-SQNIBIBYSA-N 2 0 376.570 3.011 20 0 GGADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182242899 1430435876 /nfs/dbraw/zinc/43/58/76/1430435876.db2.gz SKJFNDSGNOFIDQ-UZUQRXQVSA-N 2 0 381.520 3.453 20 0 GGADRP COCc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261541 1430438947 /nfs/dbraw/zinc/43/89/47/1430438947.db2.gz SNPOHQJPDSFWNE-JTSKRJEESA-N 2 0 384.520 3.259 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263254 1430439336 /nfs/dbraw/zinc/43/93/36/1430439336.db2.gz GPMUIOXNDBGDNF-VGSWGCGISA-N 2 0 395.503 3.061 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182263190 1430439372 /nfs/dbraw/zinc/43/93/72/1430439372.db2.gz SEVAGGNIWKBGGE-AVRDEDQJSA-N 2 0 384.520 3.129 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000182268537 1430440065 /nfs/dbraw/zinc/44/00/65/1430440065.db2.gz QGLUALXMFYLDRM-MBSDFSHPSA-N 2 0 376.504 3.290 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnn(Cc2ccccc2)c1 ZINC000182268406 1430440178 /nfs/dbraw/zinc/44/01/78/1430440178.db2.gz OSWNKEGKTJVTGP-DVECYGJZSA-N 2 0 390.531 3.349 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182302377 1430445374 /nfs/dbraw/zinc/44/53/74/1430445374.db2.gz SGUIEGBXNZQKMC-IFMALSPDSA-N 2 0 384.568 3.085 20 0 GGADRP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182331741 1430449649 /nfs/dbraw/zinc/44/96/49/1430449649.db2.gz LRYMWXLQRYFFPF-GOSISDBHSA-N 2 0 386.561 3.472 20 0 GGADRP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182376125 1430455450 /nfs/dbraw/zinc/45/54/50/1430455450.db2.gz AYSAREHKFUXIAH-PZJWPPBQSA-N 2 0 386.584 3.461 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000182400297 1430460448 /nfs/dbraw/zinc/46/04/48/1430460448.db2.gz UXGBPQPJVUAEBA-UHFFFAOYSA-N 2 0 395.547 3.195 20 0 GGADRP C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182401782 1430460755 /nfs/dbraw/zinc/46/07/55/1430460755.db2.gz QDWXSJOPDGNYOC-PZJWPPBQSA-N 2 0 398.595 3.387 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182448632 1430469565 /nfs/dbraw/zinc/46/95/65/1430469565.db2.gz BXNWWLNPUBGQRJ-IBGZPJMESA-N 2 0 387.572 3.133 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000182531295 1430484493 /nfs/dbraw/zinc/48/44/93/1430484493.db2.gz KEVIEGDNYSIAGQ-QUCCMNQESA-N 2 0 390.597 3.086 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000182537591 1430486105 /nfs/dbraw/zinc/48/61/05/1430486105.db2.gz TZMMTPJVQLDYJM-UFYCRDLUSA-N 2 0 396.620 3.026 20 0 GGADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182555900 1430490832 /nfs/dbraw/zinc/49/08/32/1430490832.db2.gz VFWBKDQIBHXUGR-CEXWTWQISA-N 2 0 378.605 3.449 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182578151 1430496415 /nfs/dbraw/zinc/49/64/15/1430496415.db2.gz OUQPBGSYWPQDHL-LJQANCHMSA-N 2 0 385.512 3.221 20 0 GGADRP COCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1 ZINC000182614434 1430502774 /nfs/dbraw/zinc/50/27/74/1430502774.db2.gz KYRHLRRKEIVQEN-IBGZPJMESA-N 2 0 389.584 3.443 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182631671 1430505673 /nfs/dbraw/zinc/50/56/73/1430505673.db2.gz OPXWRVSHHLIMLG-UFYCRDLUSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182632580 1430506287 /nfs/dbraw/zinc/50/62/87/1430506287.db2.gz RNEGHJQYKFLIAE-XXBNENTESA-N 2 0 379.552 3.156 20 0 GGADRP C[C@@H](CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000182712792 1430524613 /nfs/dbraw/zinc/52/46/13/1430524613.db2.gz YSCGEGDFXBWAHU-UNMCSNQZSA-N 2 0 386.584 3.414 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000182775086 1430537823 /nfs/dbraw/zinc/53/78/23/1430537823.db2.gz ULTUHFRTCXBSEB-UHFFFAOYSA-N 2 0 376.570 3.398 20 0 GGADRP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856921 1430554610 /nfs/dbraw/zinc/55/46/10/1430554610.db2.gz TVPOXAKYTNPZJL-OALUTQOASA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182862674 1430555961 /nfs/dbraw/zinc/55/59/61/1430555961.db2.gz GVTVUHWCONFDNA-IRFCIJBXSA-N 2 0 376.589 3.299 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865962 1430556708 /nfs/dbraw/zinc/55/67/08/1430556708.db2.gz SVFAHKCXOPJFRL-RBUKOAKNSA-N 2 0 390.572 3.314 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865979 1430556754 /nfs/dbraw/zinc/55/67/54/1430556754.db2.gz SVFAHKCXOPJFRL-RTBURBONSA-N 2 0 390.572 3.314 20 0 GGADRP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000182884793 1430561912 /nfs/dbraw/zinc/56/19/12/1430561912.db2.gz ROIHWAOJMNLHLO-UXHICEINSA-N 2 0 399.000 3.497 20 0 GGADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939322 1430576405 /nfs/dbraw/zinc/57/64/05/1430576405.db2.gz PLBVHVNOSRMCPV-UYAOXDASSA-N 2 0 378.605 3.403 20 0 GGADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939301 1430576493 /nfs/dbraw/zinc/57/64/93/1430576493.db2.gz PLBVHVNOSRMCPV-AZUAARDMSA-N 2 0 378.605 3.403 20 0 GGADRP O=C(c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1)N1CCCC1 ZINC000182958886 1430580770 /nfs/dbraw/zinc/58/07/70/1430580770.db2.gz NKWAPGCKLAVWBQ-UHFFFAOYSA-N 2 0 399.579 3.247 20 0 GGADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962039 1430581217 /nfs/dbraw/zinc/58/12/17/1430581217.db2.gz ILFPFHOTYUIIDW-FQEVSTJZSA-N 2 0 387.568 3.455 20 0 GGADRP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000182965351 1430581881 /nfs/dbraw/zinc/58/18/81/1430581881.db2.gz MLJDTYWGJQHIJE-FQEVSTJZSA-N 2 0 395.588 3.068 20 0 GGADRP Cc1ccc2c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc(=O)oc2c1 ZINC000182983853 1430585253 /nfs/dbraw/zinc/58/52/53/1430585253.db2.gz MEHHNBSZQXWYLE-UHFFFAOYSA-N 2 0 384.520 3.426 20 0 GGADRP c1ccc(C[N@H+]2C[C@H]3CCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183127405 1430622402 /nfs/dbraw/zinc/62/24/02/1430622402.db2.gz JYJQVRSHHWSGPY-VSKRKVRLSA-N 2 0 393.579 3.437 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000183224305 1430652213 /nfs/dbraw/zinc/65/22/13/1430652213.db2.gz MPCRDZLYZVQIAG-UVUJQTEASA-N 2 0 384.568 3.165 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226625 1430652467 /nfs/dbraw/zinc/65/24/67/1430652467.db2.gz IXKSMVQWHCVYTI-SJORKVTESA-N 2 0 377.529 3.275 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226584 1430652648 /nfs/dbraw/zinc/65/26/48/1430652648.db2.gz IXKSMVQWHCVYTI-IRXDYDNUSA-N 2 0 377.529 3.275 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1)C1CC[NH+](C)CC1 ZINC000183237481 1430656327 /nfs/dbraw/zinc/65/63/27/1430656327.db2.gz VZKGOFVOUXZBKO-HXUWFJFHSA-N 2 0 387.568 3.192 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241100 1430657787 /nfs/dbraw/zinc/65/77/87/1430657787.db2.gz JWUZNBAXIAQRCZ-QFIPXVFZSA-N 2 0 381.568 3.372 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000183315481 1430676769 /nfs/dbraw/zinc/67/67/69/1430676769.db2.gz LXHDBOYWPBYSIU-KRWDZBQOSA-N 2 0 394.581 3.157 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183369630 1430692558 /nfs/dbraw/zinc/69/25/58/1430692558.db2.gz CFKUCKHZRWFIER-GOSISDBHSA-N 2 0 376.541 3.121 20 0 GGADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000183368949 1430692748 /nfs/dbraw/zinc/69/27/48/1430692748.db2.gz VCHJQPAJCJLXLX-DEOSSOPVSA-N 2 0 397.563 3.099 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1C[NH+]1CCCCC1 ZINC000183396687 1430700745 /nfs/dbraw/zinc/70/07/45/1430700745.db2.gz DLZLHGSTKANNAA-KRWDZBQOSA-N 2 0 394.581 3.157 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183467264 1430718691 /nfs/dbraw/zinc/71/86/91/1430718691.db2.gz XHBWPUPSUNCEHV-MRXNPFEDSA-N 2 0 375.513 3.044 20 0 GGADRP Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000183523717 1430734642 /nfs/dbraw/zinc/73/46/42/1430734642.db2.gz IVMJQUKFSSVJTF-QFIPXVFZSA-N 2 0 399.579 3.093 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000183594574 1430749614 /nfs/dbraw/zinc/74/96/14/1430749614.db2.gz YOKMQILILAMCQW-HNNXBMFYSA-N 2 0 375.513 3.043 20 0 GGADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183609214 1430753937 /nfs/dbraw/zinc/75/39/37/1430753937.db2.gz MEBVATDTGHGVPA-KRWDZBQOSA-N 2 0 385.577 3.421 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000183623375 1430757043 /nfs/dbraw/zinc/75/70/43/1430757043.db2.gz VQOWABWEHKAOTM-ZWKOTPCHSA-N 2 0 389.540 3.148 20 0 GGADRP OC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@H](CO)c2ccccc2)c1)c1ccccc1 ZINC000183664725 1430766597 /nfs/dbraw/zinc/76/65/97/1430766597.db2.gz CVCPOLJDUSDIEE-DNQXCXABSA-N 2 0 376.500 3.333 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183819886 1430800798 /nfs/dbraw/zinc/80/07/98/1430800798.db2.gz XOAMDMSSESIUKL-CMKODMSKSA-N 2 0 395.588 3.255 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-n1nccc1C ZINC000184586754 1430910303 /nfs/dbraw/zinc/91/03/03/1430910303.db2.gz KQYQZZMREVLCBO-LJQANCHMSA-N 2 0 398.555 3.061 20 0 GGADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184599729 1430915061 /nfs/dbraw/zinc/91/50/61/1430915061.db2.gz BJQIMWHODSDLGJ-JOCHJYFZSA-N 2 0 386.584 3.413 20 0 GGADRP COc1ccc([C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000184628069 1430923413 /nfs/dbraw/zinc/92/34/13/1430923413.db2.gz SGKRDELRPQSXSQ-FYYLOGMGSA-N 2 0 381.520 3.155 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)[C@H](C)C1 ZINC000184670262 1430936774 /nfs/dbraw/zinc/93/67/74/1430936774.db2.gz PLONXNJIZJWFJR-KYJSFNMBSA-N 2 0 383.458 3.126 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CSC ZINC000184813397 1430985362 /nfs/dbraw/zinc/98/53/62/1430985362.db2.gz CHVTXGBBROPOCJ-SFHVURJKSA-N 2 0 378.586 3.429 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CSC ZINC000184813376 1430985667 /nfs/dbraw/zinc/98/56/67/1430985667.db2.gz CHVTXGBBROPOCJ-GOSISDBHSA-N 2 0 378.586 3.429 20 0 GGADRP C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000184888958 1431013411 /nfs/dbraw/zinc/01/34/11/1431013411.db2.gz KTVBAPNMVAMGCZ-GOSISDBHSA-N 2 0 390.547 3.354 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](CC(C)C)CC3)c2)CC1 ZINC000184891052 1431014121 /nfs/dbraw/zinc/01/41/21/1431014121.db2.gz XFSVHVVECZVBHP-UHFFFAOYSA-N 2 0 387.572 3.070 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1 ZINC000184901425 1431016906 /nfs/dbraw/zinc/01/69/06/1431016906.db2.gz ARBKMRRWHHTGQO-LJQANCHMSA-N 2 0 387.572 3.024 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[NH2+]C3CCCCC3)c2)CC1 ZINC000184914513 1431019657 /nfs/dbraw/zinc/01/96/57/1431019657.db2.gz MWURGTMTVPAEPW-UHFFFAOYSA-N 2 0 387.572 3.262 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184913437 1431019881 /nfs/dbraw/zinc/01/98/81/1431019881.db2.gz DBZMYMVBSFKMGU-IBGZPJMESA-N 2 0 387.572 3.072 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2)CC1 ZINC000184915086 1431020378 /nfs/dbraw/zinc/02/03/78/1431020378.db2.gz HDTIETZQTACJBA-UHFFFAOYSA-N 2 0 399.583 3.311 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921270 1431022023 /nfs/dbraw/zinc/02/20/23/1431022023.db2.gz XFMUKDRCZJLAOF-NRFANRHFSA-N 2 0 399.583 3.215 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1)c1ccccc1 ZINC000184970619 1431033190 /nfs/dbraw/zinc/03/31/90/1431033190.db2.gz OMUBMZODHXJYGT-JOCHJYFZSA-N 2 0 381.520 3.023 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063239 1431052327 /nfs/dbraw/zinc/05/23/27/1431052327.db2.gz XYVIVMCENYJNBX-GOSISDBHSA-N 2 0 378.586 3.257 20 0 GGADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000185207933 1431085168 /nfs/dbraw/zinc/08/51/68/1431085168.db2.gz ZBDSEYJQWLENPL-KRWDZBQOSA-N 2 0 384.362 3.221 20 0 GGADRP CN(C)c1ccncc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000185209899 1431085633 /nfs/dbraw/zinc/08/56/33/1431085633.db2.gz FBWYMPIYWFFCPH-UHFFFAOYSA-N 2 0 382.552 3.309 20 0 GGADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1(C)C ZINC000185242751 1431092084 /nfs/dbraw/zinc/09/20/84/1431092084.db2.gz SHEZUKZECIFXMQ-SFTDATJTSA-N 2 0 387.568 3.194 20 0 GGADRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000185322198 1431113638 /nfs/dbraw/zinc/11/36/38/1431113638.db2.gz YWCWNPYUSFMYID-QGZVFWFLSA-N 2 0 375.856 3.105 20 0 GGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(O)cc(F)c2)c1)C1CCOCC1 ZINC000185513165 1431162143 /nfs/dbraw/zinc/16/21/43/1431162143.db2.gz UZNUJTAFDCKEHV-UHFFFAOYSA-N 2 0 388.483 3.311 20 0 GGADRP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000185564003 1431171206 /nfs/dbraw/zinc/17/12/06/1431171206.db2.gz LOISEIISDDNCQF-GOSISDBHSA-N 2 0 392.613 3.381 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185661639 1431199190 /nfs/dbraw/zinc/19/91/90/1431199190.db2.gz IIZUCSINHWSMHC-KRWDZBQOSA-N 2 0 386.462 3.044 20 0 GGADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717535 1431214563 /nfs/dbraw/zinc/21/45/63/1431214563.db2.gz LNUBQHIOKIPYPD-NLWGTHIKSA-N 2 0 376.541 3.068 20 0 GGADRP C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724038 1431215870 /nfs/dbraw/zinc/21/58/70/1431215870.db2.gz CBFYSAHZDCWYIS-MSOLQXFVSA-N 2 0 394.581 3.102 20 0 GGADRP C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724021 1431215888 /nfs/dbraw/zinc/21/58/88/1431215888.db2.gz CBFYSAHZDCWYIS-ROUUACIJSA-N 2 0 394.581 3.102 20 0 GGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186108566 1431331807 /nfs/dbraw/zinc/33/18/07/1431331807.db2.gz JPNAFTKIUYNLGJ-IFMALSPDSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Br)ccc1O ZINC000186197108 1431350505 /nfs/dbraw/zinc/35/05/05/1431350505.db2.gz XSXJOMMRWYOJEJ-ZDUSSCGKSA-N 2 0 394.313 3.341 20 0 GGADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186214440 1431354057 /nfs/dbraw/zinc/35/40/57/1431354057.db2.gz SWWUPBAFARGLNH-INIZCTEOSA-N 2 0 387.549 3.433 20 0 GGADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186472180 1431429211 /nfs/dbraw/zinc/42/92/11/1431429211.db2.gz XAKIAQYHIZKJIH-OAQYLSRUSA-N 2 0 389.503 3.350 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC)cc1C ZINC000186812892 1431524718 /nfs/dbraw/zinc/52/47/18/1431524718.db2.gz ZNPYJQUZIXZBCV-MRXNPFEDSA-N 2 0 380.508 3.023 20 0 GGADRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000186981692 1431582059 /nfs/dbraw/zinc/58/20/59/1431582059.db2.gz KPRPWXXLWNLNNU-MAUKXSAKSA-N 2 0 398.389 3.386 20 0 GGADRP Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1O ZINC000186985747 1431583201 /nfs/dbraw/zinc/58/32/01/1431583201.db2.gz HEHFPTJWKBCHJT-AWEZNQCLSA-N 2 0 384.362 3.140 20 0 GGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1O ZINC000186985734 1431583237 /nfs/dbraw/zinc/58/32/37/1431583237.db2.gz HEHFPTJWKBCHJT-CQSZACIVSA-N 2 0 384.362 3.140 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000187010072 1431588881 /nfs/dbraw/zinc/58/88/81/1431588881.db2.gz VGESIBAHMISDCQ-ROUUACIJSA-N 2 0 378.582 3.221 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000187092487 1431612494 /nfs/dbraw/zinc/61/24/94/1431612494.db2.gz YTSCWLPTRGMKRQ-HKUYNNGSSA-N 2 0 383.577 3.111 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000187115695 1431620030 /nfs/dbraw/zinc/62/00/30/1431620030.db2.gz WOQBYQYQULVNAG-QFIPXVFZSA-N 2 0 382.552 3.119 20 0 GGADRP Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000187164528 1431635348 /nfs/dbraw/zinc/63/53/48/1431635348.db2.gz COVBMFSLZXWQIJ-HNNXBMFYSA-N 2 0 398.389 3.387 20 0 GGADRP Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1O ZINC000187190701 1431641765 /nfs/dbraw/zinc/64/17/65/1431641765.db2.gz OTJCATBRLTZXAE-GOEBONIOSA-N 2 0 385.346 3.351 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000187198934 1431644656 /nfs/dbraw/zinc/64/46/56/1431644656.db2.gz RTGYWJAENRJPPC-GOSISDBHSA-N 2 0 378.582 3.366 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000187198915 1431644701 /nfs/dbraw/zinc/64/47/01/1431644701.db2.gz RTGYWJAENRJPPC-SFHVURJKSA-N 2 0 378.582 3.366 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CCSCC1 ZINC000187346936 1431704047 /nfs/dbraw/zinc/70/40/47/1431704047.db2.gz BOVMEEGGSPNZNT-QGZVFWFLSA-N 2 0 375.582 3.134 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187449233 1431733655 /nfs/dbraw/zinc/73/36/55/1431733655.db2.gz DJQLJMZZRSXAIY-SJORKVTESA-N 2 0 386.462 3.044 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187454133 1431735425 /nfs/dbraw/zinc/73/54/25/1431735425.db2.gz BUIILQHJLOGWOE-QGZVFWFLSA-N 2 0 388.478 3.290 20 0 GGADRP C[N@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCCOCC1)C1CCCCC1 ZINC000187456376 1431735797 /nfs/dbraw/zinc/73/57/97/1431735797.db2.gz WWIUJKCBXKRTAU-UHFFFAOYSA-N 2 0 388.556 3.295 20 0 GGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187478151 1431743972 /nfs/dbraw/zinc/74/39/72/1431743972.db2.gz DKSDJZYKJQPODZ-FGZHOGPDSA-N 2 0 386.584 3.270 20 0 GGADRP CC1(C)OCc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000187512330 1431753061 /nfs/dbraw/zinc/75/30/61/1431753061.db2.gz INOPBFHKMCOWEN-OAQYLSRUSA-N 2 0 382.504 3.188 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCCS2 ZINC000187746657 1431807307 /nfs/dbraw/zinc/80/73/07/1431807307.db2.gz LMEXPKQLGVPWTI-PMACEKPBSA-N 2 0 377.598 3.484 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCS2 ZINC000187746636 1431807348 /nfs/dbraw/zinc/80/73/48/1431807348.db2.gz LMEXPKQLGVPWTI-VQTJNVASSA-N 2 0 377.598 3.484 20 0 GGADRP CC[NH+](CC)Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000188369587 1431877806 /nfs/dbraw/zinc/87/78/06/1431877806.db2.gz INJUICJAVFYKAE-UHFFFAOYSA-N 2 0 395.551 3.074 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189050061 1432034593 /nfs/dbraw/zinc/03/45/93/1432034593.db2.gz WKMMECILSAYOSV-UHFFFAOYSA-N 2 0 382.483 3.301 20 0 GGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100065 1432044724 /nfs/dbraw/zinc/04/47/24/1432044724.db2.gz SEOUAZKUKGAGJA-WMZHIEFXSA-N 2 0 395.547 3.387 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189205879 1432063009 /nfs/dbraw/zinc/06/30/09/1432063009.db2.gz KQHTYEATRUZCLR-AUSIDOKSSA-N 2 0 399.579 3.047 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000189236885 1432068678 /nfs/dbraw/zinc/06/86/78/1432068678.db2.gz LSBYEEGPJBBCAG-HXUWFJFHSA-N 2 0 387.568 3.011 20 0 GGADRP Fc1ccc(Cn2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000189385354 1432096906 /nfs/dbraw/zinc/09/69/06/1432096906.db2.gz XKIGZQJEXVXKLC-UHFFFAOYSA-N 2 0 379.483 3.472 20 0 GGADRP C[C@@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCCC1 ZINC000189403048 1432099320 /nfs/dbraw/zinc/09/93/20/1432099320.db2.gz XTJVSISVXLXACT-VIQWUECVSA-N 2 0 383.536 3.448 20 0 GGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000189754088 1432224281 /nfs/dbraw/zinc/22/42/81/1432224281.db2.gz UVTARNAVAMBGKA-QGZVFWFLSA-N 2 0 378.586 3.086 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000189929736 1432277578 /nfs/dbraw/zinc/27/75/78/1432277578.db2.gz GMYKWASNMXZMDE-LJQANCHMSA-N 2 0 396.620 3.028 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189955902 1432288470 /nfs/dbraw/zinc/28/84/70/1432288470.db2.gz DLAKMBDRHVTVPS-LZJOCLMNSA-N 2 0 383.492 3.374 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cnc2ccccc2c1=O ZINC000189959279 1432289645 /nfs/dbraw/zinc/28/96/45/1432289645.db2.gz COJAFZDZUPBNAQ-OALUTQOASA-N 2 0 390.531 3.143 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1cnc2ccccc2c1=O ZINC000189959300 1432289785 /nfs/dbraw/zinc/28/97/85/1432289785.db2.gz COJAFZDZUPBNAQ-RTBURBONSA-N 2 0 390.531 3.143 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000190101897 1432319968 /nfs/dbraw/zinc/31/99/68/1432319968.db2.gz ZEYMAHLCLHDQSI-SFHVURJKSA-N 2 0 378.586 3.402 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000190152988 1432329141 /nfs/dbraw/zinc/32/91/41/1432329141.db2.gz HGQLELFWNBAORV-LJQANCHMSA-N 2 0 376.545 3.242 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000190420077 1432378281 /nfs/dbraw/zinc/37/82/81/1432378281.db2.gz LKVCRBJDRXSLEF-JOCHJYFZSA-N 2 0 396.535 3.161 20 0 GGADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000190463483 1432386434 /nfs/dbraw/zinc/38/64/34/1432386434.db2.gz XXLANMQEQFEFBA-UHFFFAOYSA-N 2 0 390.572 3.033 20 0 GGADRP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000190730459 1432459259 /nfs/dbraw/zinc/45/92/59/1432459259.db2.gz PDQNUIAVWOMNHH-KDURUIRLSA-N 2 0 382.552 3.437 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000190840950 1432503513 /nfs/dbraw/zinc/50/35/13/1432503513.db2.gz GJJBTGATQSQXIN-UHFFFAOYSA-N 2 0 378.442 3.450 20 0 GGADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892187 1432521456 /nfs/dbraw/zinc/52/14/56/1432521456.db2.gz MJLODTVIBUGZMX-YDPTZXBUSA-N 2 0 380.573 3.057 20 0 GGADRP CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000190958282 1432537737 /nfs/dbraw/zinc/53/77/37/1432537737.db2.gz KTXQVNDYAMROCI-QGZVFWFLSA-N 2 0 385.531 3.279 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](Cc4ccncc4)CC3)c2)CC1 ZINC000190968291 1432539861 /nfs/dbraw/zinc/53/98/61/1432539861.db2.gz DQIWAKQMBXMNLN-UHFFFAOYSA-N 2 0 379.552 3.300 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000190981112 1432542723 /nfs/dbraw/zinc/54/27/23/1432542723.db2.gz LMMXCNJJAMRMSU-PKTZIBPZSA-N 2 0 395.547 3.087 20 0 GGADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnn1C(C)C ZINC000191368690 1432643201 /nfs/dbraw/zinc/64/32/01/1432643201.db2.gz AJXWNVPRRUPWJA-GOSISDBHSA-N 2 0 397.567 3.449 20 0 GGADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000191391555 1432649733 /nfs/dbraw/zinc/64/97/33/1432649733.db2.gz IDWRGRURFWUEKW-FQEVSTJZSA-N 2 0 375.557 3.257 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000191473717 1432668129 /nfs/dbraw/zinc/66/81/29/1432668129.db2.gz DNIYHHMDBNPRMF-UHFFFAOYSA-N 3 0 386.628 3.247 20 0 GGADRP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000191586125 1432687891 /nfs/dbraw/zinc/68/78/91/1432687891.db2.gz WBBCAVCMDNBDSL-DEOSSOPVSA-N 2 0 380.532 3.414 20 0 GGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C2 ZINC000192444242 1432845263 /nfs/dbraw/zinc/84/52/63/1432845263.db2.gz BEVDFZZPYGLRKR-NRFANRHFSA-N 2 0 380.532 3.299 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000192648163 1432871148 /nfs/dbraw/zinc/87/11/48/1432871148.db2.gz ONJLBURCCCRAKF-MSOLQXFVSA-N 2 0 391.556 3.004 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000192648145 1432871172 /nfs/dbraw/zinc/87/11/72/1432871172.db2.gz ONJLBURCCCRAKF-ROUUACIJSA-N 2 0 391.556 3.004 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)CCC2 ZINC000192666068 1432873081 /nfs/dbraw/zinc/87/30/81/1432873081.db2.gz TVFBOVPBGOOVBM-GOSISDBHSA-N 2 0 391.556 3.149 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)CCC2 ZINC000192666088 1432873104 /nfs/dbraw/zinc/87/31/04/1432873104.db2.gz TVFBOVPBGOOVBM-SFHVURJKSA-N 2 0 391.556 3.149 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000192668359 1432873269 /nfs/dbraw/zinc/87/32/69/1432873269.db2.gz PGUMUXQQDVGYEL-UHFFFAOYSA-N 2 0 394.563 3.255 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000192694551 1432876411 /nfs/dbraw/zinc/87/64/11/1432876411.db2.gz KNAYSSMGIZGQIU-JOCHJYFZSA-N 2 0 395.551 3.171 20 0 GGADRP C[NH+]1CCC(CNc2nc3ccccc3c(NCC3CC[NH+](C)CC3)n2)CC1 ZINC000192714104 1432878959 /nfs/dbraw/zinc/87/89/59/1432878959.db2.gz AKWPSUPYEKILHX-UHFFFAOYSA-N 2 0 382.556 3.137 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192719740 1432879440 /nfs/dbraw/zinc/87/94/40/1432879440.db2.gz UZGTWIGIVAOEEA-UHFFFAOYSA-N 2 0 392.547 3.140 20 0 GGADRP COc1cccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]2CCCO2)c1 ZINC000192725588 1432880414 /nfs/dbraw/zinc/88/04/14/1432880414.db2.gz JJWJVILFSRHVBS-HSZRJFAPSA-N 2 0 389.584 3.092 20 0 GGADRP COc1cc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c(SC)cc1OC ZINC000192745504 1432883907 /nfs/dbraw/zinc/88/39/07/1432883907.db2.gz ZUQGTGDMMWWEPV-UHFFFAOYSA-N 2 0 395.613 3.274 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000192747579 1432884158 /nfs/dbraw/zinc/88/41/58/1432884158.db2.gz OKVMVQXKSQSNNL-FQEVSTJZSA-N 2 0 393.019 3.435 20 0 GGADRP O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192763074 1432886455 /nfs/dbraw/zinc/88/64/55/1432886455.db2.gz UHKNUBMGDPMUDF-OAQYLSRUSA-N 2 0 393.535 3.143 20 0 GGADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000192768620 1432887705 /nfs/dbraw/zinc/88/77/05/1432887705.db2.gz ATNPRFPEYMZCBB-UHFFFAOYSA-N 2 0 394.991 3.407 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000192773393 1432888436 /nfs/dbraw/zinc/88/84/36/1432888436.db2.gz SBKHAHLZZDJARS-UHFFFAOYSA-N 2 0 392.563 3.281 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)CCC2 ZINC000192823724 1432895070 /nfs/dbraw/zinc/89/50/70/1432895070.db2.gz CFVSOEDQZJDDQI-FUHWJXTLSA-N 2 0 391.556 3.005 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000192953928 1432912519 /nfs/dbraw/zinc/91/25/19/1432912519.db2.gz BUNOZCLCBDRUAM-KRWDZBQOSA-N 2 0 390.572 3.220 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000193006787 1432921214 /nfs/dbraw/zinc/92/12/14/1432921214.db2.gz GZUYXJGCHGYMKV-SFHVURJKSA-N 2 0 396.576 3.278 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[NH+]2CCCC2)c1 ZINC000193093269 1432935041 /nfs/dbraw/zinc/93/50/41/1432935041.db2.gz PJZIAEWELLWEER-OAQYLSRUSA-N 2 0 388.556 3.007 20 0 GGADRP CCC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CC)C3CC3)c(OCC)c2)CC1 ZINC000193168377 1432949421 /nfs/dbraw/zinc/94/94/21/1432949421.db2.gz YXFFUNFRLZVCKD-UHFFFAOYSA-N 2 0 388.556 3.040 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000193467659 1433004082 /nfs/dbraw/zinc/00/40/82/1433004082.db2.gz WKYZCFNRNFTABO-UHFFFAOYSA-N 2 0 375.557 3.257 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193831964 1433068593 /nfs/dbraw/zinc/06/85/93/1433068593.db2.gz VUONUALTXFLTGV-UHFFFAOYSA-N 2 0 378.536 3.162 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000193836201 1433069691 /nfs/dbraw/zinc/06/96/91/1433069691.db2.gz UJKXLCRXSDTIJV-UHFFFAOYSA-N 2 0 386.584 3.385 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)C1 ZINC000193907605 1433082510 /nfs/dbraw/zinc/08/25/10/1433082510.db2.gz RJRJFMOBQKQWDC-QFIPXVFZSA-N 2 0 397.588 3.407 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926450 1433085890 /nfs/dbraw/zinc/08/58/90/1433085890.db2.gz RXDIFRLJCQNKJU-UNMCSNQZSA-N 2 0 380.536 3.111 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000193927780 1433086569 /nfs/dbraw/zinc/08/65/69/1433086569.db2.gz RHMOGFHCWDSOBB-OALUTQOASA-N 2 0 386.565 3.172 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000193929687 1433086775 /nfs/dbraw/zinc/08/67/75/1433086775.db2.gz ZVJWHHCVGOHNSD-KNQAVFIVSA-N 2 0 398.526 3.250 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981595 1433095886 /nfs/dbraw/zinc/09/58/86/1433095886.db2.gz FUDVQJLULICTRO-XPWALMASSA-N 2 0 383.580 3.132 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194020648 1433102161 /nfs/dbraw/zinc/10/21/61/1433102161.db2.gz LDBFMVQHRPPRIH-UNMCSNQZSA-N 2 0 386.584 3.462 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000194051258 1433107623 /nfs/dbraw/zinc/10/76/23/1433107623.db2.gz DHSPDFRJOVLUIP-DEOSSOPVSA-N 2 0 391.559 3.474 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000194106590 1433118563 /nfs/dbraw/zinc/11/85/63/1433118563.db2.gz FHOQJCHTURJERF-NHCUHLMSSA-N 2 0 398.551 3.484 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000194226065 1433143204 /nfs/dbraw/zinc/14/32/04/1433143204.db2.gz ZCWUGRUXZGXUPL-HXUWFJFHSA-N 2 0 384.568 3.215 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000194414497 1433174498 /nfs/dbraw/zinc/17/44/98/1433174498.db2.gz OKDKZKJFRLAZDV-VXKWHMMOSA-N 2 0 384.568 3.168 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000194449018 1433179863 /nfs/dbraw/zinc/17/98/63/1433179863.db2.gz IINXCDVZRAPBAX-FCHUYYIVSA-N 2 0 384.568 3.168 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000194649056 1433210974 /nfs/dbraw/zinc/21/09/74/1433210974.db2.gz YYERJRNMZGPXTP-UHFFFAOYSA-N 2 0 390.597 3.275 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194808999 1433237575 /nfs/dbraw/zinc/23/75/75/1433237575.db2.gz YUCPKZJIVOCOOG-OAQYLSRUSA-N 2 0 385.552 3.080 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000194955908 1433272039 /nfs/dbraw/zinc/27/20/39/1433272039.db2.gz IOMLOXACBAHTGB-UHFFFAOYSA-N 2 0 386.584 3.257 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136950 1433297719 /nfs/dbraw/zinc/29/77/19/1433297719.db2.gz SAKUSQFROFNARG-HKUYNNGSSA-N 2 0 387.549 3.231 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383416 1433324658 /nfs/dbraw/zinc/32/46/58/1433324658.db2.gz AVKOMSMSZJSOSS-UHFFFAOYSA-N 2 0 396.526 3.301 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195663607 1433343974 /nfs/dbraw/zinc/34/39/74/1433343974.db2.gz MYTFZZKUPYXZMA-FGZHOGPDSA-N 2 0 387.568 3.459 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)N1CC[NH+](C)CC1 ZINC000236698438 1433376187 /nfs/dbraw/zinc/37/61/87/1433376187.db2.gz VOOPOLYZIVJPGJ-UXHICEINSA-N 2 0 394.401 3.168 20 0 GGADRP c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236698451 1433376559 /nfs/dbraw/zinc/37/65/59/1433376559.db2.gz IVLSLRBFYAFKBZ-UHFFFAOYSA-N 2 0 377.536 3.022 20 0 GGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3cnc(N4CCOCC4)s3)CC2)c1 ZINC000236709604 1433376773 /nfs/dbraw/zinc/37/67/73/1433376773.db2.gz VLFQRTCNJXYVDC-UHFFFAOYSA-N 2 0 392.594 3.043 20 0 GGADRP Cc1c(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)nnn1C1CC[NH2+]CC1 ZINC000236721823 1433376956 /nfs/dbraw/zinc/37/69/56/1433376956.db2.gz HHMUZZYEBBDUAL-UHFFFAOYSA-N 2 0 396.539 3.125 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(C)nc3sc(C)cn23)CC1 ZINC000236841481 1433380786 /nfs/dbraw/zinc/38/07/86/1433380786.db2.gz QEMWKMBIQCSYIN-UHFFFAOYSA-N 2 0 397.592 3.440 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000236849293 1433381000 /nfs/dbraw/zinc/38/10/00/1433381000.db2.gz WNLQRNATWWJJJK-IBGZPJMESA-N 2 0 377.536 3.141 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236876770 1433381735 /nfs/dbraw/zinc/38/17/35/1433381735.db2.gz ABIGKGYUEKFVFF-DYESRHJHSA-N 2 0 375.557 3.220 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000236898095 1433382638 /nfs/dbraw/zinc/38/26/38/1433382638.db2.gz HVKPMNWCNUPDPV-MSOLQXFVSA-N 2 0 385.556 3.342 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236898071 1433382642 /nfs/dbraw/zinc/38/26/42/1433382642.db2.gz HVKPMNWCNUPDPV-QZTJIDSGSA-N 2 0 385.556 3.342 20 0 GGADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000236923332 1433383187 /nfs/dbraw/zinc/38/31/87/1433383187.db2.gz DTVCOZAHSREGST-WMZHIEFXSA-N 2 0 394.563 3.316 20 0 GGADRP CCc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000236975889 1433384588 /nfs/dbraw/zinc/38/45/88/1433384588.db2.gz WJCVEFQYLJFWJK-QFIPXVFZSA-N 2 0 379.548 3.289 20 0 GGADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237024832 1433386374 /nfs/dbraw/zinc/38/63/74/1433386374.db2.gz DTVCOZAHSREGST-AUSIDOKSSA-N 2 0 394.563 3.316 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000237082083 1433388456 /nfs/dbraw/zinc/38/84/56/1433388456.db2.gz SBWBZNPXMDLQMQ-OAQYLSRUSA-N 2 0 393.535 3.447 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237084290 1433388486 /nfs/dbraw/zinc/38/84/86/1433388486.db2.gz ODZQOELVMWPRQQ-UHFFFAOYSA-N 2 0 395.576 3.328 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC000237090140 1433388698 /nfs/dbraw/zinc/38/86/98/1433388698.db2.gz KDSMIGRBMKBOMJ-ALOPSCKCSA-N 2 0 388.531 3.215 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000237095388 1433388708 /nfs/dbraw/zinc/38/87/08/1433388708.db2.gz QGVULWXEQDBIBX-QFIPXVFZSA-N 2 0 380.536 3.493 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc2)CC1 ZINC000237096840 1433388991 /nfs/dbraw/zinc/38/89/91/1433388991.db2.gz LSFKAGAQRZLLRM-HSZRJFAPSA-N 2 0 392.547 3.290 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237199449 1433392139 /nfs/dbraw/zinc/39/21/39/1433392139.db2.gz IIDZNIQLJFKQJV-GHTZIAJQSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000237200163 1433392168 /nfs/dbraw/zinc/39/21/68/1433392168.db2.gz YSKNDPBGVZQWMS-LEWJYISDSA-N 2 0 381.520 3.081 20 0 GGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cnc3ccccn23)c1)C1CCOCC1 ZINC000237205660 1433392645 /nfs/dbraw/zinc/39/26/45/1433392645.db2.gz ULHXXMMHKAHJPZ-UHFFFAOYSA-N 2 0 394.519 3.114 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237241398 1433394007 /nfs/dbraw/zinc/39/40/07/1433394007.db2.gz UZWVDVFENKPMIP-JOCHJYFZSA-N 2 0 391.559 3.288 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237257273 1433394398 /nfs/dbraw/zinc/39/43/98/1433394398.db2.gz IIDZNIQLJFKQJV-NQIIRXRSSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237256646 1433394521 /nfs/dbraw/zinc/39/45/21/1433394521.db2.gz KUQFZYGHXYBQDY-RTWAWAEBSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237260110 1433394744 /nfs/dbraw/zinc/39/47/44/1433394744.db2.gz RLNPRQAZTLGLIH-PIPMEXSNSA-N 2 0 381.520 3.284 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237287856 1433396161 /nfs/dbraw/zinc/39/61/61/1433396161.db2.gz DSYKEBPSEPRCFV-JPYJTQIMSA-N 2 0 395.547 3.360 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000237294258 1433396166 /nfs/dbraw/zinc/39/61/66/1433396166.db2.gz UOSSQZQFSRQJSR-FGTMMUONSA-N 2 0 391.556 3.379 20 0 GGADRP COc1ccc([C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000237325255 1433397356 /nfs/dbraw/zinc/39/73/56/1433397356.db2.gz JXQXYOUMYILYGO-DWLFOUALSA-N 2 0 387.568 3.364 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237366806 1433399198 /nfs/dbraw/zinc/39/91/98/1433399198.db2.gz IZYRCRCPCPVNEO-SFHVURJKSA-N 2 0 386.584 3.429 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237366876 1433399234 /nfs/dbraw/zinc/39/92/34/1433399234.db2.gz SDFRVLQHEFUSAX-ICSRJNTNSA-N 2 0 386.584 3.429 20 0 GGADRP C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237400538 1433400936 /nfs/dbraw/zinc/40/09/36/1433400936.db2.gz QIBURAGBIHQEJZ-WMZOPIPTSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000237404102 1433401129 /nfs/dbraw/zinc/40/11/29/1433401129.db2.gz ZVRBATKKGCSGPL-KNKQGSTJSA-N 2 0 376.541 3.223 20 0 GGADRP C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237405336 1433401407 /nfs/dbraw/zinc/40/14/07/1433401407.db2.gz XYFXYWVBQZBIES-LJQANCHMSA-N 2 0 383.580 3.320 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[C@H]([NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237417343 1433402088 /nfs/dbraw/zinc/40/20/88/1433402088.db2.gz IBELCPYIUSPFGF-PWHSHALESA-N 2 0 395.547 3.392 20 0 GGADRP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237430128 1433402848 /nfs/dbraw/zinc/40/28/48/1433402848.db2.gz UUPUNNHUTVVBJJ-PKOBYXMFSA-N 2 0 375.582 3.190 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)N1c1ccccc1 ZINC000237484416 1433405487 /nfs/dbraw/zinc/40/54/87/1433405487.db2.gz UILOEIHBFALBRJ-AUSIDOKSSA-N 2 0 393.531 3.445 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237487826 1433405873 /nfs/dbraw/zinc/40/58/73/1433405873.db2.gz KBYXQGHZJGYMCF-FCHUYYIVSA-N 2 0 381.520 3.081 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237520578 1433407774 /nfs/dbraw/zinc/40/77/74/1433407774.db2.gz JZTDUWNJRGMRDJ-MBSDFSHPSA-N 2 0 377.532 3.392 20 0 GGADRP C[C@H](CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC[NH2+]CC1 ZINC000237610231 1433412789 /nfs/dbraw/zinc/41/27/89/1433412789.db2.gz HDAGCQBPSFKLGQ-RTBURBONSA-N 2 0 387.568 3.028 20 0 GGADRP C[C@@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC[NH2+]C1 ZINC000237623783 1433413144 /nfs/dbraw/zinc/41/31/44/1433413144.db2.gz SWKUQOJKPKXSKK-JOCHJYFZSA-N 2 0 386.540 3.219 20 0 GGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237654886 1433414925 /nfs/dbraw/zinc/41/49/25/1433414925.db2.gz CHHPKWBZMWAKFI-IBGZPJMESA-N 2 0 390.959 3.220 20 0 GGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237654845 1433415015 /nfs/dbraw/zinc/41/50/15/1433415015.db2.gz CHHPKWBZMWAKFI-LJQANCHMSA-N 2 0 390.959 3.220 20 0 GGADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000237703881 1433418249 /nfs/dbraw/zinc/41/82/49/1433418249.db2.gz UUPUNNHUTVVBJJ-MJGOQNOKSA-N 2 0 375.582 3.190 20 0 GGADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237717499 1433418672 /nfs/dbraw/zinc/41/86/72/1433418672.db2.gz IWRMFTIYDNIQPO-SFHVURJKSA-N 2 0 395.469 3.129 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000237731979 1433419568 /nfs/dbraw/zinc/41/95/68/1433419568.db2.gz LPWGMRKJMZPSJW-UHFFFAOYSA-N 2 0 391.559 3.397 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000237771990 1433422993 /nfs/dbraw/zinc/42/29/93/1433422993.db2.gz LWMVTBWUUPESFP-UHFFFAOYSA-N 2 0 375.520 3.032 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc12 ZINC000237783819 1433423659 /nfs/dbraw/zinc/42/36/59/1433423659.db2.gz CIHITMWGSBWZDO-CALCHBBNSA-N 2 0 393.535 3.176 20 0 GGADRP [NH3+]C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000237813857 1433425681 /nfs/dbraw/zinc/42/56/81/1433425681.db2.gz FMQPQUHPUCEQJK-FQEVSTJZSA-N 2 0 385.939 3.411 20 0 GGADRP [NH3+]C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC000237822329 1433426311 /nfs/dbraw/zinc/42/63/11/1433426311.db2.gz KYNCPKPMYPHZTA-LPHOPBHVSA-N 2 0 389.902 3.475 20 0 GGADRP [NH3+]CC1(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)CCCC1 ZINC000237826823 1433426593 /nfs/dbraw/zinc/42/65/93/1433426593.db2.gz KMUDHHACIMVPHU-LJQANCHMSA-N 2 0 383.561 3.483 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237952286 1433436846 /nfs/dbraw/zinc/43/68/46/1433436846.db2.gz XGVYGHJPPUUEOV-VQTJNVASSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237974553 1433437747 /nfs/dbraw/zinc/43/77/47/1433437747.db2.gz VFMAMGNFTQUISB-IBGZPJMESA-N 2 0 383.561 3.323 20 0 GGADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237990825 1433438148 /nfs/dbraw/zinc/43/81/48/1433438148.db2.gz NBISKXGUICJSID-SFHVURJKSA-N 2 0 377.410 3.168 20 0 GGADRP [NH3+]C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000238035100 1433440517 /nfs/dbraw/zinc/44/05/17/1433440517.db2.gz UZUCLPHVVJSISN-RTBURBONSA-N 2 0 391.437 3.138 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238055981 1433441158 /nfs/dbraw/zinc/44/11/58/1433441158.db2.gz XYOKJPHDZDHYQY-HSZRJFAPSA-N 2 0 377.532 3.393 20 0 GGADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238060781 1433441505 /nfs/dbraw/zinc/44/15/05/1433441505.db2.gz RMQTZVFRJVZUFE-PUHATCMVSA-N 2 0 399.579 3.095 20 0 GGADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000238102401 1433442971 /nfs/dbraw/zinc/44/29/71/1433442971.db2.gz OKRRXEIEUOZAHX-QMMLZNLJSA-N 2 0 398.551 3.360 20 0 GGADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000238149289 1433444358 /nfs/dbraw/zinc/44/43/58/1433444358.db2.gz MDKWJJONXYKNRG-UHFFFAOYSA-N 2 0 386.540 3.219 20 0 GGADRP C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201218 1433455013 /nfs/dbraw/zinc/45/50/13/1433455013.db2.gz GKYMTZVJHCTPDV-RMJJICAUSA-N 2 0 385.552 3.352 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245392605 1433458882 /nfs/dbraw/zinc/45/88/82/1433458882.db2.gz ULYCVFDFVRIYBO-CEXWTWQISA-N 2 0 392.613 3.380 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421845 1433464504 /nfs/dbraw/zinc/46/45/04/1433464504.db2.gz IFBKMLUDAIFCEG-OALUTQOASA-N 2 0 390.597 3.087 20 0 GGADRP CC[NH+](C)C[C@@H]1CCN(Cc2ccc(CN3CC[C@@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000245441429 1433468200 /nfs/dbraw/zinc/46/82/00/1433468200.db2.gz HJADEWMYNFNGKX-ZEQRLZLVSA-N 4 0 386.628 3.234 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000245459816 1433472630 /nfs/dbraw/zinc/47/26/30/1433472630.db2.gz VMVGMAQIALBXEH-VQTJNVASSA-N 2 0 384.520 3.492 20 0 GGADRP COc1cccc([C@H]2[C@H](NC(=O)CN(C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000245535119 1433481771 /nfs/dbraw/zinc/48/17/71/1433481771.db2.gz FHBFBMBWQLSMOU-VWNXMTODSA-N 2 0 393.531 3.221 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559800 1433485083 /nfs/dbraw/zinc/48/50/83/1433485083.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 0 379.976 3.422 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000245566988 1433486189 /nfs/dbraw/zinc/48/61/89/1433486189.db2.gz RNEGHJQYKFLIAE-AUSIDOKSSA-N 2 0 379.552 3.156 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000245639990 1433494098 /nfs/dbraw/zinc/49/40/98/1433494098.db2.gz DCHVEVSJNTUGGX-UZKOGDIHSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245669970 1433497365 /nfs/dbraw/zinc/49/73/65/1433497365.db2.gz FGLUUYIMZAFCJX-URVUXULASA-N 2 0 386.584 3.270 20 0 GGADRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245669754 1433497438 /nfs/dbraw/zinc/49/74/38/1433497438.db2.gz HSBRGYHRZCWULA-KSSFIOAISA-N 2 0 378.879 3.430 20 0 GGADRP C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245702378 1433502606 /nfs/dbraw/zinc/50/26/06/1433502606.db2.gz LOXQYFNIUOOLTE-BWAGFHJFSA-N 2 0 387.568 3.250 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245732674 1433507563 /nfs/dbraw/zinc/50/75/63/1433507563.db2.gz UDIITGUTTGWWAY-GPMSIDNRSA-N 2 0 396.938 3.208 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245763114 1433514029 /nfs/dbraw/zinc/51/40/29/1433514029.db2.gz ZVVQVQJJUPMXMU-MDZRGWNJSA-N 2 0 396.938 3.255 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)c1ccccc1 ZINC000245837204 1433523949 /nfs/dbraw/zinc/52/39/49/1433523949.db2.gz DKSMWZIZTGSMAE-FYYLOGMGSA-N 2 0 379.548 3.360 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859017 1433528477 /nfs/dbraw/zinc/52/84/77/1433528477.db2.gz BJKZDVFHVXGWJO-UVUJQTEASA-N 2 0 384.568 3.308 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[NH+]2CCCC2)cc1 ZINC000245883738 1433533976 /nfs/dbraw/zinc/53/39/76/1433533976.db2.gz BJRPSJNXXCDJBL-VSKRKVRLSA-N 2 0 384.568 3.258 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000245921498 1433543657 /nfs/dbraw/zinc/54/36/57/1433543657.db2.gz GQYBVWUZETWVKM-MOPGFXCFSA-N 2 0 387.572 3.027 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000245934450 1433546517 /nfs/dbraw/zinc/54/65/17/1433546517.db2.gz IUVAVILXLFFPFL-CMKODMSKSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245945970 1433548853 /nfs/dbraw/zinc/54/88/53/1433548853.db2.gz NVEFXRXRTFUFDA-GUDVDZBRSA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000245956703 1433550499 /nfs/dbraw/zinc/55/04/99/1433550499.db2.gz LYKBJMWQCNMCNS-LEAZDLGRSA-N 2 0 395.588 3.037 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000245972605 1433552382 /nfs/dbraw/zinc/55/23/82/1433552382.db2.gz OGFJMDJXDLQUSU-KZNAEPCWSA-N 2 0 376.570 3.011 20 0 GGADRP C[C@H](c1cn(-c2ccccc2)nn1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245988094 1433554295 /nfs/dbraw/zinc/55/42/95/1433554295.db2.gz FRLDJTLVENEUQL-GUDVDZBRSA-N 2 0 383.540 3.150 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000246018190 1433558391 /nfs/dbraw/zinc/55/83/91/1433558391.db2.gz URMMKMJIYJNVGC-GTWWNFFPSA-N 2 0 398.595 3.269 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000246019473 1433558484 /nfs/dbraw/zinc/55/84/84/1433558484.db2.gz UUCMURUJYKVNOL-KAGYGMCKSA-N 2 0 384.568 3.338 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041578 1433560591 /nfs/dbraw/zinc/56/05/91/1433560591.db2.gz NZUMESYTYITNCV-DUXKGJEZSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246113354 1433570593 /nfs/dbraw/zinc/57/05/93/1433570593.db2.gz HWYXEQDRFPUNDD-QIJUGHKUSA-N 2 0 384.568 3.439 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000246177413 1433578184 /nfs/dbraw/zinc/57/81/84/1433578184.db2.gz LQCITPQNKPRXIP-HKUYNNGSSA-N 2 0 390.597 3.281 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000246229751 1433584353 /nfs/dbraw/zinc/58/43/53/1433584353.db2.gz FUHUPEWWFPNSMZ-CTNGQTDRSA-N 2 0 376.976 3.069 20 0 GGADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246228096 1433584394 /nfs/dbraw/zinc/58/43/94/1433584394.db2.gz BYQRCCBXEMLCLK-GGPKGHCWSA-N 2 0 395.588 3.255 20 0 GGADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246228103 1433584441 /nfs/dbraw/zinc/58/44/41/1433584441.db2.gz BYQRCCBXEMLCLK-QWFCFKBJSA-N 2 0 395.588 3.255 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246288146 1433590029 /nfs/dbraw/zinc/59/00/29/1433590029.db2.gz AQEPNOXGBZKVOV-SBHAEUEKSA-N 2 0 386.584 3.126 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246298921 1433591567 /nfs/dbraw/zinc/59/15/67/1433591567.db2.gz IYZHQYDHJZEEMV-RXVVDRJESA-N 2 0 376.589 3.299 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246298900 1433591644 /nfs/dbraw/zinc/59/16/44/1433591644.db2.gz IYZHQYDHJZEEMV-GHTZIAJQSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246311465 1433593055 /nfs/dbraw/zinc/59/30/55/1433593055.db2.gz DTPOUCLTEWPRBV-CDNPAEQRSA-N 2 0 389.584 3.046 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246321649 1433594563 /nfs/dbraw/zinc/59/45/63/1433594563.db2.gz KOQJREKFBVJLTJ-CUXKYVRBSA-N 2 0 390.616 3.403 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000246324292 1433594987 /nfs/dbraw/zinc/59/49/87/1433594987.db2.gz OCVGQWMZCNANSZ-UNMCSNQZSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000246324753 1433595226 /nfs/dbraw/zinc/59/52/26/1433595226.db2.gz NFKOUIQCZAEYKK-KNKQGSTJSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000246334446 1433596325 /nfs/dbraw/zinc/59/63/25/1433596325.db2.gz BVKDLZYQGIUFLO-GUDVDZBRSA-N 2 0 395.613 3.346 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337151 1433596680 /nfs/dbraw/zinc/59/66/80/1433596680.db2.gz GNSXRHLWMBTGML-SIKLNZKXSA-N 2 0 392.547 3.251 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246340332 1433597517 /nfs/dbraw/zinc/59/75/17/1433597517.db2.gz HXFDJXJRQFATKN-SJBKTWHCSA-N 2 0 398.595 3.413 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000246364932 1433600920 /nfs/dbraw/zinc/60/09/20/1433600920.db2.gz HNEPDHXMJHKCQS-OXFYSEKESA-N 2 0 395.469 3.182 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000246364939 1433601149 /nfs/dbraw/zinc/60/11/49/1433601149.db2.gz HNEPDHXMJHKCQS-WRWLIDTKSA-N 2 0 395.469 3.182 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(F)c1 ZINC000246374035 1433602376 /nfs/dbraw/zinc/60/23/76/1433602376.db2.gz HSZULKHBRSZECN-DZFGPLHGSA-N 2 0 388.531 3.087 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(F)c1 ZINC000246374057 1433602783 /nfs/dbraw/zinc/60/27/83/1433602783.db2.gz HSZULKHBRSZECN-IOMROCGXSA-N 2 0 388.531 3.087 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246376189 1433603035 /nfs/dbraw/zinc/60/30/35/1433603035.db2.gz HBFIYVRBGDEPPN-PKTZIBPZSA-N 2 0 398.595 3.211 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccco1 ZINC000246379513 1433603910 /nfs/dbraw/zinc/60/39/10/1433603910.db2.gz IDNSRIBHGJZCQB-DFQSSKMNSA-N 2 0 388.556 3.321 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246389421 1433605539 /nfs/dbraw/zinc/60/55/39/1433605539.db2.gz OFTKXUMMCGMRBK-DGYCAGFBSA-N 2 0 386.584 3.125 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246402977 1433607527 /nfs/dbraw/zinc/60/75/27/1433607527.db2.gz LWLNBCJXNNEANW-WFXMLNOXSA-N 2 0 375.557 3.363 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000246470643 1433617763 /nfs/dbraw/zinc/61/77/63/1433617763.db2.gz QKNVIBPTJJAECD-ZHALLVOQSA-N 2 0 381.586 3.146 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246471884 1433617791 /nfs/dbraw/zinc/61/77/91/1433617791.db2.gz QPBVDSQNBNTYHM-OEMYIYORSA-N 2 0 375.557 3.361 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246510328 1433623383 /nfs/dbraw/zinc/62/33/83/1433623383.db2.gz UAGPMPAUDJHMIR-ANZJIFDASA-N 2 0 396.579 3.308 20 0 GGADRP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)C[NH+]1CCCC1 ZINC000246529199 1433625691 /nfs/dbraw/zinc/62/56/91/1433625691.db2.gz CPAOROKUMMYSIW-DUXKGJEZSA-N 2 0 381.524 3.143 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246544308 1433628381 /nfs/dbraw/zinc/62/83/81/1433628381.db2.gz YJAOJSKQWJGQPZ-FCHUYYIVSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000246547630 1433629414 /nfs/dbraw/zinc/62/94/14/1433629414.db2.gz DEOSVDMEDKWEHB-DUXKGJEZSA-N 2 0 381.524 3.143 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556070 1433630490 /nfs/dbraw/zinc/63/04/90/1433630490.db2.gz WWPHCPGXEMQVHU-WMZHIEFXSA-N 2 0 392.547 3.204 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000246559822 1433631163 /nfs/dbraw/zinc/63/11/63/1433631163.db2.gz AFGABUCKMZKQSN-NGRWLJPCSA-N 2 0 386.584 3.174 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246569682 1433632852 /nfs/dbraw/zinc/63/28/52/1433632852.db2.gz ANYAEELMUIOVFK-NGRWLJPCSA-N 2 0 391.625 3.334 20 0 GGADRP CSCC[C@@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000246572540 1433633378 /nfs/dbraw/zinc/63/33/78/1433633378.db2.gz AGUDGUHUPOCGCP-LJQANCHMSA-N 2 0 377.598 3.103 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246602869 1433638334 /nfs/dbraw/zinc/63/83/34/1433638334.db2.gz TUYROLFIVBQPSI-NGRWLJPCSA-N 2 0 386.584 3.315 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000246639248 1433643654 /nfs/dbraw/zinc/64/36/54/1433643654.db2.gz YBRQWPFDPFOMPD-AKVSHQRBSA-N 2 0 384.568 3.067 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000246639271 1433643971 /nfs/dbraw/zinc/64/39/71/1433643971.db2.gz YBRQWPFDPFOMPD-NBIWHTTOSA-N 2 0 384.568 3.067 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246649193 1433645201 /nfs/dbraw/zinc/64/52/01/1433645201.db2.gz ZHOLWKXXMCKVNG-PABCKOPISA-N 2 0 398.595 3.270 20 0 GGADRP C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000246659684 1433646217 /nfs/dbraw/zinc/64/62/17/1433646217.db2.gz DGADDGVPKHHMEK-CABCVRRESA-N 2 0 383.521 3.312 20 0 GGADRP Clc1ccccc1N1CCN(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246731072 1433656625 /nfs/dbraw/zinc/65/66/25/1433656625.db2.gz NYFLIZYQNZQXTQ-OALUTQOASA-N 2 0 376.976 3.069 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000246766075 1433662814 /nfs/dbraw/zinc/66/28/14/1433662814.db2.gz OAWZEENNSAPBMA-QAPCUYQASA-N 2 0 383.458 3.171 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831914 1433675766 /nfs/dbraw/zinc/67/57/66/1433675766.db2.gz ALQUYJYZNDKIHT-AHRSYUTCSA-N 2 0 393.453 3.332 20 0 GGADRP CCCOc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246832426 1433675933 /nfs/dbraw/zinc/67/59/33/1433675933.db2.gz OENQMJRZBRNTRW-SIKLNZKXSA-N 2 0 385.552 3.040 20 0 GGADRP CCCOc1cccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246832445 1433676010 /nfs/dbraw/zinc/67/60/10/1433676010.db2.gz OENQMJRZBRNTRW-UGKGYDQZSA-N 2 0 385.552 3.040 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246872724 1433680976 /nfs/dbraw/zinc/68/09/76/1433680976.db2.gz DARYLRMTUZYZGI-YTQUADARSA-N 2 0 381.586 3.241 20 0 GGADRP O=C(COc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000246883313 1433682323 /nfs/dbraw/zinc/68/23/23/1433682323.db2.gz TUYVMWLAWLTZBF-UGKGYDQZSA-N 2 0 397.563 3.137 20 0 GGADRP CC(C)c1ccc(CCNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246882195 1433682347 /nfs/dbraw/zinc/68/23/47/1433682347.db2.gz QPBTUCJGAZVTNJ-GMAHTHKFSA-N 2 0 383.580 3.417 20 0 GGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246900185 1433684495 /nfs/dbraw/zinc/68/44/95/1433684495.db2.gz XPXNHSZBASBEJE-SFTDATJTSA-N 2 0 387.543 3.372 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000246914196 1433686355 /nfs/dbraw/zinc/68/63/55/1433686355.db2.gz LCYKQLKZFOCKAW-ZJOUEHCJSA-N 2 0 387.568 3.100 20 0 GGADRP CCN(CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913815 1433686483 /nfs/dbraw/zinc/68/64/83/1433686483.db2.gz GATLTDZCWCFWCI-IEBWSBKVSA-N 2 0 376.545 3.139 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913274 1433686559 /nfs/dbraw/zinc/68/65/59/1433686559.db2.gz FYEDFZWJTBOZCI-DBXWQHBBSA-N 2 0 384.593 3.390 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913293 1433686640 /nfs/dbraw/zinc/68/66/40/1433686640.db2.gz FYEDFZWJTBOZCI-LVCYWYKZSA-N 2 0 384.593 3.390 20 0 GGADRP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246915680 1433686823 /nfs/dbraw/zinc/68/68/23/1433686823.db2.gz RSTWFFFTTJAWEJ-NHCUHLMSSA-N 2 0 390.547 3.304 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000247193735 1433689928 /nfs/dbraw/zinc/68/99/28/1433689928.db2.gz VYNNBUFZNGFITG-LMMKCTJWSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000247227969 1433693028 /nfs/dbraw/zinc/69/30/28/1433693028.db2.gz YBIOCPUUIMHXOY-AMAALNMCSA-N 2 0 399.604 3.453 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247299164 1433701854 /nfs/dbraw/zinc/70/18/54/1433701854.db2.gz FWJYQGFSOYJNIX-QHAWAJNXSA-N 2 0 378.605 3.404 20 0 GGADRP C[NH+]1CCC[C@@H]2C[NH+](CCCCCC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000247348781 1433711088 /nfs/dbraw/zinc/71/10/88/1433711088.db2.gz YAFGOAGETMJLIC-UEQSERJNSA-N 4 0 390.660 3.379 20 0 GGADRP C[NH+]1CCC[C@@H]2C[NH+](CCCCCC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000247348760 1433711439 /nfs/dbraw/zinc/71/14/39/1433711439.db2.gz YAFGOAGETMJLIC-MOUTVQLLSA-N 4 0 390.660 3.379 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000247352618 1433711863 /nfs/dbraw/zinc/71/18/63/1433711863.db2.gz BGAHIBQDHQARIK-VXKWHMMOSA-N 2 0 386.584 3.414 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000247366312 1433714122 /nfs/dbraw/zinc/71/41/22/1433714122.db2.gz REKAXZCUNUNWDA-YLJYHZDGSA-N 2 0 392.975 3.460 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247394400 1433716288 /nfs/dbraw/zinc/71/62/88/1433716288.db2.gz QPVQXNOVHORVMJ-HSALFYBXSA-N 2 0 378.605 3.403 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000247411767 1433718960 /nfs/dbraw/zinc/71/89/60/1433718960.db2.gz ZFDURNYTEARICR-DENIHFKCSA-N 2 0 386.584 3.402 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247412065 1433719193 /nfs/dbraw/zinc/71/91/93/1433719193.db2.gz STPXEFOSJUHGPP-URVUXULASA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247419250 1433720028 /nfs/dbraw/zinc/72/00/28/1433720028.db2.gz UPQVACTVCLWYEX-UZKOGDIHSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCNc1ccccn1 ZINC000247461987 1433725304 /nfs/dbraw/zinc/72/53/04/1433725304.db2.gz PQIWQYYWMCKNBM-NGRWLJPCSA-N 2 0 395.551 3.339 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247463866 1433725837 /nfs/dbraw/zinc/72/58/37/1433725837.db2.gz RBZHXRRRLMQNIW-RZUBCFFCSA-N 2 0 386.584 3.270 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000247474846 1433726919 /nfs/dbraw/zinc/72/69/19/1433726919.db2.gz SWBNWJLNIGPMPX-HXUWFJFHSA-N 2 0 395.975 3.015 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247494565 1433729741 /nfs/dbraw/zinc/72/97/41/1433729741.db2.gz WKLHCSWZMUXWSM-GOTSBHOMSA-N 2 0 398.595 3.115 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247496586 1433729858 /nfs/dbraw/zinc/72/98/58/1433729858.db2.gz WTRGGQBTJAJDIX-YADHBBJMSA-N 2 0 386.584 3.414 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000247523717 1433733299 /nfs/dbraw/zinc/73/32/99/1433733299.db2.gz ZHBRPRWXHFPQSG-RBBKRZOGSA-N 2 0 386.584 3.270 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648631 1433742505 /nfs/dbraw/zinc/74/25/05/1433742505.db2.gz VUZTUCKBSAZLAR-QAPCUYQASA-N 2 0 396.938 3.085 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247654169 1433743728 /nfs/dbraw/zinc/74/37/28/1433743728.db2.gz WUPGAIMMGJIYDJ-OEWRPIJISA-N 2 0 384.568 3.069 20 0 GGADRP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000247710091 1433747352 /nfs/dbraw/zinc/74/73/52/1433747352.db2.gz RSJIYFMBSJJNSJ-HJOGWXRNSA-N 2 0 380.532 3.022 20 0 GGADRP CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000247735316 1433748407 /nfs/dbraw/zinc/74/84/07/1433748407.db2.gz MRYDIFNUQIZNNE-SJLPKXTDSA-N 2 0 398.507 3.271 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247891888 1433755585 /nfs/dbraw/zinc/75/55/85/1433755585.db2.gz FODIKUCJCJSHEE-AZUAARDMSA-N 2 0 376.589 3.157 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000247929059 1433756928 /nfs/dbraw/zinc/75/69/28/1433756928.db2.gz BWBZWDGXLVGXRQ-FSSWDIPSSA-N 2 0 384.568 3.024 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(Cl)cc1 ZINC000247968036 1433760009 /nfs/dbraw/zinc/76/00/09/1433760009.db2.gz HAJXSZQTXPGALU-BEFAXECRSA-N 2 0 391.947 3.117 20 0 GGADRP CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248123465 1433771315 /nfs/dbraw/zinc/77/13/15/1433771315.db2.gz NQPSGAFHRKGXFV-PKTZIBPZSA-N 2 0 379.548 3.495 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000248123549 1433771372 /nfs/dbraw/zinc/77/13/72/1433771372.db2.gz NRKOLQNYQBQTSG-MNEFBYGVSA-N 2 0 393.478 3.200 20 0 GGADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137794 1433773163 /nfs/dbraw/zinc/77/31/63/1433773163.db2.gz PFYBIDBZJXSQDT-GGAORHGYSA-N 2 0 377.532 3.469 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000248145916 1433774151 /nfs/dbraw/zinc/77/41/51/1433774151.db2.gz QDEODDGWYFNWRY-AKIFATBCSA-N 2 0 398.595 3.414 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000248175070 1433777771 /nfs/dbraw/zinc/77/77/71/1433777771.db2.gz VLZGKGXVUUMCKF-XPWALMASSA-N 2 0 398.595 3.414 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000248179717 1433777841 /nfs/dbraw/zinc/77/78/41/1433777841.db2.gz XTEZLAOGMPMVBA-LEWJYISDSA-N 2 0 375.557 3.459 20 0 GGADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248185732 1433778459 /nfs/dbraw/zinc/77/84/59/1433778459.db2.gz XHWBOCZWMTVOED-QFBILLFUSA-N 2 0 377.598 3.394 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)[C@H](C)C1 ZINC000248215787 1433780040 /nfs/dbraw/zinc/78/00/40/1433780040.db2.gz ZPRDSNPHBZYELH-ZACQAIPSSA-N 2 0 396.963 3.179 20 0 GGADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248390011 1433793501 /nfs/dbraw/zinc/79/35/01/1433793501.db2.gz BEJUDJGXKRTVJJ-RBZQAINGSA-N 2 0 391.559 3.479 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000248395052 1433795474 /nfs/dbraw/zinc/79/54/74/1433795474.db2.gz IRPXVRFCCNUCJJ-DTVZVWBHSA-N 2 0 398.526 3.483 20 0 GGADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248401553 1433797642 /nfs/dbraw/zinc/79/76/42/1433797642.db2.gz LWBQWVVOSHSCHH-DNVJHFABSA-N 2 0 377.532 3.437 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248401537 1433797667 /nfs/dbraw/zinc/79/76/67/1433797667.db2.gz LVEAYGOMJKFIDV-ZCNNSNEGSA-N 2 0 378.605 3.307 20 0 GGADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248401539 1433797703 /nfs/dbraw/zinc/79/77/03/1433797703.db2.gz LVFZBIBWIFVWFQ-WCIQWLHISA-N 2 0 378.605 3.307 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248401640 1433797884 /nfs/dbraw/zinc/79/78/84/1433797884.db2.gz MCSNBCXAGIQPQP-SBHAEUEKSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248401641 1433798081 /nfs/dbraw/zinc/79/80/81/1433798081.db2.gz MCSNBCXAGIQPQP-SFHLNBCPSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406882 1433799906 /nfs/dbraw/zinc/79/99/06/1433799906.db2.gz SVYJDZDBRVXSLN-QKNQBKEWSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000248410733 1433800372 /nfs/dbraw/zinc/80/03/72/1433800372.db2.gz HKUTYWOWULCPFN-ONIFWJIJSA-N 3 0 385.596 3.376 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000248411752 1433800516 /nfs/dbraw/zinc/80/05/16/1433800516.db2.gz ZPKLPHMAQHWWQW-NEWJYFPISA-N 3 0 385.596 3.114 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248411750 1433800722 /nfs/dbraw/zinc/80/07/22/1433800722.db2.gz ZPKLPHMAQHWWQW-CJRSTVEYSA-N 3 0 385.596 3.114 20 0 GGADRP CO[C@]1(C)C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@@](C)(OC)C3(C)C)COC2)C1(C)C ZINC000248417678 1433801089 /nfs/dbraw/zinc/80/10/89/1433801089.db2.gz JSMLUQMHMHVNHK-MOXQZVSFSA-N 2 0 396.616 3.274 20 0 GGADRP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C2CC2)c1 ZINC000248459515 1433804705 /nfs/dbraw/zinc/80/47/05/1433804705.db2.gz VTMKPQORWPKLGR-ISKFKSNPSA-N 2 0 380.532 3.373 20 0 GGADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1O ZINC000248589067 1433809990 /nfs/dbraw/zinc/80/99/90/1433809990.db2.gz YSKNEYKVJDIKPE-RDJZCZTQSA-N 2 0 385.346 3.432 20 0 GGADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1O ZINC000248589066 1433810081 /nfs/dbraw/zinc/81/00/81/1433810081.db2.gz YSKNEYKVJDIKPE-DOTOQJQBSA-N 2 0 385.346 3.432 20 0 GGADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000248595917 1433810386 /nfs/dbraw/zinc/81/03/86/1433810386.db2.gz MKMMOSDNWXZAFY-MTIDIVMFSA-N 2 0 396.531 3.312 20 0 GGADRP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248652076 1433813687 /nfs/dbraw/zinc/81/36/87/1433813687.db2.gz XUMZNSYRSKQPOT-MAUKXSAKSA-N 2 0 387.549 3.305 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248679933 1433814884 /nfs/dbraw/zinc/81/48/84/1433814884.db2.gz CKFHPULDSZDPJH-APWZRJJASA-N 2 0 398.954 3.455 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248737561 1433818886 /nfs/dbraw/zinc/81/88/86/1433818886.db2.gz LFOYFOSPHLWISN-RBBKRZOGSA-N 2 0 386.584 3.320 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248750045 1433819917 /nfs/dbraw/zinc/81/99/17/1433819917.db2.gz OKDKZKJFRLAZDV-FGZHOGPDSA-N 2 0 384.568 3.168 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770467 1433821556 /nfs/dbraw/zinc/82/15/56/1433821556.db2.gz XZHFBWIJJYYLOB-GUDVDZBRSA-N 2 0 383.577 3.111 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000248779066 1433822059 /nfs/dbraw/zinc/82/20/59/1433822059.db2.gz UVCZJTQSQQIERR-VXKWHMMOSA-N 2 0 384.568 3.072 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000248799124 1433822983 /nfs/dbraw/zinc/82/29/83/1433822983.db2.gz JNNIVLQSKPBMBO-PGRDOPGGSA-N 2 0 384.568 3.213 20 0 GGADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248855246 1433826151 /nfs/dbraw/zinc/82/61/51/1433826151.db2.gz VWCHSXOCSAJOQX-GMAHTHKFSA-N 2 0 399.579 3.048 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000248879974 1433827306 /nfs/dbraw/zinc/82/73/06/1433827306.db2.gz NXIGZQYCPWFJRS-ZLGUVYLKSA-N 2 0 378.532 3.370 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884415 1433827620 /nfs/dbraw/zinc/82/76/20/1433827620.db2.gz LQEYWDICFKEMTK-WBDAEOGXSA-N 2 0 389.543 3.470 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248894765 1433828335 /nfs/dbraw/zinc/82/83/35/1433828335.db2.gz YLAWYWUEQGKEPK-WOJBJXKFSA-N 2 0 386.584 3.113 20 0 GGADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1(C)C ZINC000248912907 1433829313 /nfs/dbraw/zinc/82/93/13/1433829313.db2.gz VPAHZDDEQDMTTO-NJDAHSKKSA-N 2 0 387.568 3.066 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248917237 1433829455 /nfs/dbraw/zinc/82/94/55/1433829455.db2.gz DKSDJZYKJQPODZ-VXKWHMMOSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192790 1433838601 /nfs/dbraw/zinc/83/86/01/1433838601.db2.gz OUQNLABJRLEYSS-FPAYPSAMSA-N 2 0 385.474 3.365 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283191 1433840327 /nfs/dbraw/zinc/84/03/27/1433840327.db2.gz HHDLXAAYKPJPAI-RBUKOAKNSA-N 2 0 399.560 3.204 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000249375818 1433842040 /nfs/dbraw/zinc/84/20/40/1433842040.db2.gz JYOCYBODEPJJRB-GBESFXJTSA-N 2 0 388.556 3.149 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000249437350 1433843908 /nfs/dbraw/zinc/84/39/08/1433843908.db2.gz SKXVMCUTQCSJMB-LPHOPBHVSA-N 2 0 388.508 3.446 20 0 GGADRP CC(C)[NH+]1CCN(CCCN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000249457407 1433844265 /nfs/dbraw/zinc/84/42/65/1433844265.db2.gz YGUUTWRBJFBEJT-DQEYMECFSA-N 2 0 398.639 3.389 20 0 GGADRP CC(C)[NH+]1CCN(CCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000249457409 1433844300 /nfs/dbraw/zinc/84/43/00/1433844300.db2.gz YGUUTWRBJFBEJT-LOSJGSFVSA-N 2 0 398.639 3.389 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510842 1433845653 /nfs/dbraw/zinc/84/56/53/1433845653.db2.gz ZVXWMIKCGNVJBV-LPHOPBHVSA-N 2 0 381.948 3.395 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000249524145 1433846233 /nfs/dbraw/zinc/84/62/33/1433846233.db2.gz QRIPAIRCOJBWFG-XQBPLPMBSA-N 2 0 398.595 3.448 20 0 GGADRP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCc2sccc2C1 ZINC000249526557 1433846247 /nfs/dbraw/zinc/84/62/47/1433846247.db2.gz UHVKFZAQSUVLSG-ROUUACIJSA-N 2 0 392.613 3.306 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000249682323 1433848802 /nfs/dbraw/zinc/84/88/02/1433848802.db2.gz ACWSIEGMYOSOAJ-FXAWDEMLSA-N 2 0 378.536 3.240 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000249733141 1433850222 /nfs/dbraw/zinc/85/02/22/1433850222.db2.gz BYAMZFKDAWHXJK-OALUTQOASA-N 2 0 375.557 3.146 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC000249747026 1433850865 /nfs/dbraw/zinc/85/08/65/1433850865.db2.gz DEWDWVOXLQNHOS-DLBZAZTESA-N 2 0 388.556 3.021 20 0 GGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000249754373 1433851072 /nfs/dbraw/zinc/85/10/72/1433851072.db2.gz CLRYFYIOGGPCOF-OTWHNJEPSA-N 2 0 390.572 3.252 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000249790760 1433852159 /nfs/dbraw/zinc/85/21/59/1433852159.db2.gz USUHZAOFXMDFOV-MSOLQXFVSA-N 2 0 390.547 3.210 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCSCC1 ZINC000250084365 1433854315 /nfs/dbraw/zinc/85/43/15/1433854315.db2.gz PMSGVHBNTZJYFB-OXQOHEQNSA-N 2 0 375.582 3.005 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251504128 1433858537 /nfs/dbraw/zinc/85/85/37/1433858537.db2.gz FUBOSAUTCZGNFI-ZCNNSNEGSA-N 2 0 386.584 3.258 20 0 GGADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000251545721 1433858734 /nfs/dbraw/zinc/85/87/34/1433858734.db2.gz GURZXWGTIDHHJU-QOKNQOGYSA-N 2 0 396.938 3.065 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000251554489 1433858971 /nfs/dbraw/zinc/85/89/71/1433858971.db2.gz HZGYLDNJKPUPFI-BHIFYINESA-N 2 0 384.568 3.165 20 0 GGADRP C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000251854223 1433860833 /nfs/dbraw/zinc/86/08/33/1433860833.db2.gz PGTWCXVSYGWYOI-XJWVVEIBSA-N 2 0 393.616 3.137 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000252094692 1433862699 /nfs/dbraw/zinc/86/26/99/1433862699.db2.gz FGQIGYXLQXHLCC-FGTMMUONSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000252651978 1433863839 /nfs/dbraw/zinc/86/38/39/1433863839.db2.gz WTYCWUTVORDHEO-WOIUINJBSA-N 2 0 386.584 3.400 20 0 GGADRP COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)C(C)C)cc1 ZINC000253553904 1433869196 /nfs/dbraw/zinc/86/91/96/1433869196.db2.gz AKMTYULQRPZQGN-MBSDFSHPSA-N 2 0 398.551 3.197 20 0 GGADRP C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCC)CC2)c(OC)c1 ZINC000255324691 1433880384 /nfs/dbraw/zinc/88/03/84/1433880384.db2.gz VDBUEFXHNZNCJK-BPJPHKDRSA-N 2 0 376.541 3.274 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571060 1433885557 /nfs/dbraw/zinc/88/55/57/1433885557.db2.gz NZDXSAIOMSXZMQ-KGRKVLGDSA-N 2 0 381.495 3.326 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000255589379 1433886144 /nfs/dbraw/zinc/88/61/44/1433886144.db2.gz UUXDYYLVLVEION-WAYWQWQTSA-N 2 0 375.532 3.255 20 0 GGADRP CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000261479712 1433896836 /nfs/dbraw/zinc/89/68/36/1433896836.db2.gz ZXVYQMWRAZYYNP-SFTDATJTSA-N 2 0 384.568 3.139 20 0 GGADRP CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000261479706 1433896848 /nfs/dbraw/zinc/89/68/48/1433896848.db2.gz ZXVYQMWRAZYYNP-LEWJYISDSA-N 2 0 384.568 3.139 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000261706687 1433899556 /nfs/dbraw/zinc/89/95/56/1433899556.db2.gz IWUSXZRGLWGGBI-FXAWDEMLSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261820224 1433905352 /nfs/dbraw/zinc/90/53/52/1433905352.db2.gz KGLRBUDMGUPJTC-VKJFTORMSA-N 2 0 399.457 3.226 20 0 GGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261820218 1433905356 /nfs/dbraw/zinc/90/53/56/1433905356.db2.gz KGLRBUDMGUPJTC-RKVPGOIHSA-N 2 0 399.457 3.226 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261817525 1433905428 /nfs/dbraw/zinc/90/54/28/1433905428.db2.gz SHPILOGTILYCBM-FUHWJXTLSA-N 2 0 383.458 3.257 20 0 GGADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H]1c1ccccc1 ZINC000261814962 1433905527 /nfs/dbraw/zinc/90/55/27/1433905527.db2.gz RWUIECYALQDRAJ-YADHBBJMSA-N 2 0 395.572 3.050 20 0 GGADRP CC[NH2+]Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261975395 1433918625 /nfs/dbraw/zinc/91/86/25/1433918625.db2.gz NOVCWQCURNMHDB-SFHVURJKSA-N 2 0 376.298 3.371 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261981107 1433919315 /nfs/dbraw/zinc/91/93/15/1433919315.db2.gz RIRWOMXKOBDWFA-QAPCUYQASA-N 2 0 383.458 3.094 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000261992343 1433919948 /nfs/dbraw/zinc/91/99/48/1433919948.db2.gz MMWDOBWHIFLLQV-GOSISDBHSA-N 2 0 381.467 3.105 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000262009709 1433921689 /nfs/dbraw/zinc/92/16/89/1433921689.db2.gz SYOBOQRWGFZSMM-QFIPXVFZSA-N 2 0 387.568 3.460 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262018153 1433922858 /nfs/dbraw/zinc/92/28/58/1433922858.db2.gz ABFVFVRBRQXEKS-LAUBAEHRSA-N 2 0 375.944 3.200 20 0 GGADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030894 1433923285 /nfs/dbraw/zinc/92/32/85/1433923285.db2.gz OBLSTBZZEURLPB-QGZVFWFLSA-N 2 0 392.956 3.283 20 0 GGADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030890 1433923499 /nfs/dbraw/zinc/92/34/99/1433923499.db2.gz OBLSTBZZEURLPB-KRWDZBQOSA-N 2 0 392.956 3.283 20 0 GGADRP C[NH2+]CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000262102855 1433927278 /nfs/dbraw/zinc/92/72/78/1433927278.db2.gz SZNYVUYEJWAXHG-HXUWFJFHSA-N 2 0 397.485 3.289 20 0 GGADRP O=C(Nc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1)c1ccc(Cl)cc1 ZINC000262136789 1433928194 /nfs/dbraw/zinc/92/81/94/1433928194.db2.gz OTZLQYCYZAXSGH-NRFANRHFSA-N 2 0 398.938 3.072 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@H]1c1cccs1 ZINC000262278909 1433933489 /nfs/dbraw/zinc/93/34/89/1433933489.db2.gz LKVKYBCCTMAVKH-YHAOAENYSA-N 2 0 375.582 3.401 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)C[C@H](C)O1 ZINC000262293393 1433934001 /nfs/dbraw/zinc/93/40/01/1433934001.db2.gz NDWLOWVVVVOCEU-ZPQMFCQPSA-N 2 0 399.579 3.066 20 0 GGADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)C1 ZINC000262303742 1433934256 /nfs/dbraw/zinc/93/42/56/1433934256.db2.gz OFDURMNKZBWTKN-ACOKINFVSA-N 2 0 385.552 3.499 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1Cl ZINC000262351343 1433936242 /nfs/dbraw/zinc/93/62/42/1433936242.db2.gz UORYHPWOTKSREX-WWMCIYDGSA-N 2 0 379.932 3.373 20 0 GGADRP C[C@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)C1C[NH2+]C1 ZINC000262396063 1433937633 /nfs/dbraw/zinc/93/76/33/1433937633.db2.gz OYEHUFMWEHDEEH-HNNXBMFYSA-N 2 0 387.524 3.054 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262402083 1433937843 /nfs/dbraw/zinc/93/78/43/1433937843.db2.gz ZWCIEGVTBNWCBU-SYURHXKASA-N 2 0 387.568 3.177 20 0 GGADRP C[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000262438610 1433939188 /nfs/dbraw/zinc/93/91/88/1433939188.db2.gz UQSYHTNFHOHQLE-UGKGYDQZSA-N 2 0 380.536 3.073 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000262671078 1433948808 /nfs/dbraw/zinc/94/88/08/1433948808.db2.gz ODHDCEPATTXWIF-DYXWJJEUSA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000262671079 1433948882 /nfs/dbraw/zinc/94/88/82/1433948882.db2.gz ODHDCEPATTXWIF-ZJOUEHCJSA-N 2 0 387.568 3.364 20 0 GGADRP C[C@@H](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262673606 1433949198 /nfs/dbraw/zinc/94/91/98/1433949198.db2.gz QEHREKMDBLNTAB-HKUYNNGSSA-N 2 0 377.960 3.400 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000262672943 1433949457 /nfs/dbraw/zinc/94/94/57/1433949457.db2.gz PLORVLULWJIFDT-JVPQYHMTSA-N 2 0 393.934 3.480 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262686024 1433950196 /nfs/dbraw/zinc/95/01/96/1433950196.db2.gz XSQVJXQVPVAOIM-LAUBAEHRSA-N 2 0 396.535 3.033 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262698880 1433950596 /nfs/dbraw/zinc/95/05/96/1433950596.db2.gz BRKJYDUCWCMAQC-OAQYLSRUSA-N 2 0 395.551 3.114 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752397 1433954032 /nfs/dbraw/zinc/95/40/32/1433954032.db2.gz ACTVHYKREJXHJN-XTQVGHSUSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762680 1433954433 /nfs/dbraw/zinc/95/44/33/1433954433.db2.gz DSGHPKFOJDVBST-WGGBDISSSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771793 1433955137 /nfs/dbraw/zinc/95/51/37/1433955137.db2.gz IABDAYXGHQHQKD-OFNKIYASSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796218 1433956924 /nfs/dbraw/zinc/95/69/24/1433956924.db2.gz PPBYINUJIRFNRG-OFNKIYASSA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816461 1433958427 /nfs/dbraw/zinc/95/84/27/1433958427.db2.gz WWJKYRHKIMRFMD-LLBVYWAGSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816468 1433958484 /nfs/dbraw/zinc/95/84/84/1433958484.db2.gz WWJKYRHKIMRFMD-XTQVGHSUSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818696 1433958680 /nfs/dbraw/zinc/95/86/80/1433958680.db2.gz XNWDYUHYYWOLLE-WGGBDISSSA-N 2 0 387.568 3.210 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000262824403 1433959288 /nfs/dbraw/zinc/95/92/88/1433959288.db2.gz XUISOPUKVAAANS-GGAORHGYSA-N 2 0 381.520 3.213 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262832923 1433959959 /nfs/dbraw/zinc/95/99/59/1433959959.db2.gz SEYVPSXPDVGUTA-WIYYLYMNSA-N 2 0 395.551 3.112 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)cc2)C1 ZINC000262834192 1433960092 /nfs/dbraw/zinc/96/00/92/1433960092.db2.gz SJRIORMPYKNQTL-XLIONFOSSA-N 2 0 381.524 3.292 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262832921 1433960208 /nfs/dbraw/zinc/96/02/08/1433960208.db2.gz SEYVPSXPDVGUTA-RXVVDRJESA-N 2 0 395.551 3.112 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263168284 1433991561 /nfs/dbraw/zinc/99/15/61/1433991561.db2.gz FMEFWMPBRCHMGL-FPOVZHCZSA-N 2 0 393.959 3.207 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263197042 1433993809 /nfs/dbraw/zinc/99/38/09/1433993809.db2.gz INMAVMJMUQZGFQ-LMMKCTJWSA-N 2 0 383.458 3.304 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000263299057 1434001010 /nfs/dbraw/zinc/00/10/10/1434001010.db2.gz WUNDJBDFNODQTE-DENIHFKCSA-N 2 0 386.540 3.347 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(C(F)F)c1 ZINC000263765226 1434030870 /nfs/dbraw/zinc/03/08/70/1434030870.db2.gz YVPNIDAOTGGXQK-UHFFFAOYSA-N 2 0 389.450 3.353 20 0 GGADRP CCCOc1c(Cl)cc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1OCC ZINC000263867835 1434043494 /nfs/dbraw/zinc/04/34/94/1434043494.db2.gz WXHFHBAUXMBFLL-UHFFFAOYSA-N 2 0 383.964 3.255 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC000264399066 1434107472 /nfs/dbraw/zinc/10/74/72/1434107472.db2.gz VOPZZBCGBSJIJR-OAHLLOKOSA-N 2 0 391.560 3.341 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c(C)c2)CC1 ZINC000264637641 1434138298 /nfs/dbraw/zinc/13/82/98/1434138298.db2.gz VEZQLVCVKNTMLK-NRFANRHFSA-N 2 0 399.583 3.229 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000265131943 1434188501 /nfs/dbraw/zinc/18/85/01/1434188501.db2.gz GERNMMRROJXERE-UHFFFAOYSA-N 2 0 380.536 3.318 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000265487820 1434238887 /nfs/dbraw/zinc/23/88/87/1434238887.db2.gz FOOZWAZXUKJLOU-HXUWFJFHSA-N 2 0 387.568 3.149 20 0 GGADRP CCOC(=O)CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000265811086 1434267034 /nfs/dbraw/zinc/26/70/34/1434267034.db2.gz PVKQDHALYJMJSF-NRFANRHFSA-N 2 0 376.541 3.097 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 ZINC000266076839 1434301612 /nfs/dbraw/zinc/30/16/12/1434301612.db2.gz YOJOYJHOVULKDZ-UHFFFAOYSA-N 2 0 396.535 3.331 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000266426786 1434334779 /nfs/dbraw/zinc/33/47/79/1434334779.db2.gz RFVVGWWUFMPIMS-QUCCMNQESA-N 2 0 397.485 3.241 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000266426788 1434334835 /nfs/dbraw/zinc/33/48/35/1434334835.db2.gz RFVVGWWUFMPIMS-UYAOXDASSA-N 2 0 397.485 3.241 20 0 GGADRP C[NH+](C)C/C=C/C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000266460285 1434339495 /nfs/dbraw/zinc/33/94/95/1434339495.db2.gz HJVGOXKTNGRUKP-AHKGRUIUSA-N 2 0 383.458 3.017 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000266488819 1434342863 /nfs/dbraw/zinc/34/28/63/1434342863.db2.gz WUOIAJIIISROMB-PXNSSMCTSA-N 2 0 375.557 3.025 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000266499408 1434343801 /nfs/dbraw/zinc/34/38/01/1434343801.db2.gz FVIUQDCVXYNAHD-QFIPXVFZSA-N 2 0 387.568 3.447 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078590 1434405965 /nfs/dbraw/zinc/40/59/65/1434405965.db2.gz UNPPQRIRBSDWRF-GCJKJVERSA-N 2 0 381.495 3.300 20 0 GGADRP CCC[NH+](CCC)CCCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267108202 1434407822 /nfs/dbraw/zinc/40/78/22/1434407822.db2.gz QLLGUEJCHOZICS-UHFFFAOYSA-N 2 0 389.584 3.162 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267221938 1434415075 /nfs/dbraw/zinc/41/50/75/1434415075.db2.gz JFZBOLZBHVPJFF-YKSBVNFPSA-N 2 0 390.531 3.483 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267221931 1434415096 /nfs/dbraw/zinc/41/50/96/1434415096.db2.gz JFZBOLZBHVPJFF-HYBUGGRVSA-N 2 0 390.531 3.483 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000267298172 1434420556 /nfs/dbraw/zinc/42/05/56/1434420556.db2.gz FANNXQFOAZBICX-XMSQKQJNSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000267359325 1434425513 /nfs/dbraw/zinc/42/55/13/1434425513.db2.gz IZQNSTCFNCKSEZ-CEMLEFRQSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267407977 1434429913 /nfs/dbraw/zinc/42/99/13/1434429913.db2.gz YNMYVBFEWXKULL-UHFFFAOYSA-N 2 0 390.547 3.306 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000267885044 1434474025 /nfs/dbraw/zinc/47/40/25/1434474025.db2.gz PPESTTBLFNGHCH-FQEVSTJZSA-N 2 0 387.524 3.116 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000267889245 1434474581 /nfs/dbraw/zinc/47/45/81/1434474581.db2.gz RFSUSCBHQSGHPV-QFIPXVFZSA-N 2 0 393.535 3.381 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268174339 1434499743 /nfs/dbraw/zinc/49/97/43/1434499743.db2.gz VJMQUFJPVJJTAG-UHFFFAOYSA-N 2 0 375.538 3.070 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268758555 1434553835 /nfs/dbraw/zinc/55/38/35/1434553835.db2.gz MJHRBUQKZIBNIN-HRAATJIYSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000268767160 1434554695 /nfs/dbraw/zinc/55/46/95/1434554695.db2.gz OAKZBXNQXOYXPL-WIYYLYMNSA-N 2 0 389.588 3.139 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770894 1434555187 /nfs/dbraw/zinc/55/51/87/1434555187.db2.gz SLCGIONEMPONKH-VOQZNFBZSA-N 2 0 384.520 3.237 20 0 GGADRP COCc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000268772735 1434555589 /nfs/dbraw/zinc/55/55/89/1434555589.db2.gz FWJJKIULBVDQTF-UHFFFAOYSA-N 2 0 388.508 3.205 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000268800688 1434558444 /nfs/dbraw/zinc/55/84/44/1434558444.db2.gz AGGDAFGBYGVGPW-QGZVFWFLSA-N 2 0 395.975 3.168 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000268815683 1434560570 /nfs/dbraw/zinc/56/05/70/1434560570.db2.gz FLRNAOBPJQMWCT-HXUWFJFHSA-N 2 0 399.535 3.236 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000268826582 1434561485 /nfs/dbraw/zinc/56/14/85/1434561485.db2.gz PRLPIOWRHIWTNL-FQEVSTJZSA-N 2 0 399.583 3.008 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839552 1434563406 /nfs/dbraw/zinc/56/34/06/1434563406.db2.gz QMSRHMPWNJLMAT-UTKZUKDTSA-N 2 0 387.549 3.201 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268862859 1434565605 /nfs/dbraw/zinc/56/56/05/1434565605.db2.gz CDMLUNCCQZPIAL-IBGZPJMESA-N 2 0 383.536 3.314 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268865908 1434565915 /nfs/dbraw/zinc/56/59/15/1434565915.db2.gz KNIBGPXCVQTDRV-RBUKOAKNSA-N 2 0 389.588 3.141 20 0 GGADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875024 1434566944 /nfs/dbraw/zinc/56/69/44/1434566944.db2.gz GTWFUXVZLQCRDP-KNQAVFIVSA-N 2 0 393.531 3.170 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000268877739 1434567286 /nfs/dbraw/zinc/56/72/86/1434567286.db2.gz ZELPYGYSMIVVBB-CEXWTWQISA-N 2 0 394.556 3.260 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000268877740 1434567330 /nfs/dbraw/zinc/56/73/30/1434567330.db2.gz ZELPYGYSMIVVBB-FHWLQOOXSA-N 2 0 394.556 3.260 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268963811 1434576118 /nfs/dbraw/zinc/57/61/18/1434576118.db2.gz BLEYKVJIVIBVJJ-RYFAJOAYSA-N 2 0 384.568 3.023 20 0 GGADRP COc1ccc(C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000268970605 1434577017 /nfs/dbraw/zinc/57/70/17/1434577017.db2.gz ICEOZYAACIDBBV-QFIPXVFZSA-N 2 0 384.520 3.034 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000268972109 1434577027 /nfs/dbraw/zinc/57/70/27/1434577027.db2.gz ZPZOLTBBNIZDQF-YLJYHZDGSA-N 2 0 376.545 3.104 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000268985546 1434578791 /nfs/dbraw/zinc/57/87/91/1434578791.db2.gz FLQHKUNUAKABRD-ROUUACIJSA-N 2 0 388.556 3.368 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000269059278 1434586446 /nfs/dbraw/zinc/58/64/46/1434586446.db2.gz SZTXBOLXHJPHDA-INIZCTEOSA-N 2 0 375.513 3.373 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269127962 1434595354 /nfs/dbraw/zinc/59/53/54/1434595354.db2.gz YVBJNPRGDKRVRY-HUUCEWRRSA-N 2 0 389.462 3.369 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269169410 1434600727 /nfs/dbraw/zinc/60/07/27/1434600727.db2.gz RBPHSFGDLITPND-FCHUYYIVSA-N 2 0 387.568 3.026 20 0 GGADRP [NH3+]CCCn1ccc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000269254284 1434614276 /nfs/dbraw/zinc/61/42/76/1434614276.db2.gz VADCBKQOXXRVIF-UHFFFAOYSA-N 2 0 390.531 3.385 20 0 GGADRP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCCCC1 ZINC000269294774 1434619416 /nfs/dbraw/zinc/61/94/16/1434619416.db2.gz NAIIWZGIRWQJRJ-UHFFFAOYSA-N 2 0 393.535 3.004 20 0 GGADRP [NH3+][C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000269537852 1434657582 /nfs/dbraw/zinc/65/75/82/1434657582.db2.gz ZFAAMSWLOFNXAI-JOCHJYFZSA-N 2 0 378.520 3.247 20 0 GGADRP CCC[NH+](CCC)CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000269605207 1434662910 /nfs/dbraw/zinc/66/29/10/1434662910.db2.gz JXCPMVOOFJXGFQ-IBGZPJMESA-N 2 0 389.588 3.418 20 0 GGADRP CCC[NH+](CCC)CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000269605208 1434663101 /nfs/dbraw/zinc/66/31/01/1434663101.db2.gz JXCPMVOOFJXGFQ-LJQANCHMSA-N 2 0 389.588 3.418 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000269641778 1434666112 /nfs/dbraw/zinc/66/61/12/1434666112.db2.gz HAZAZCCISKNUQU-IBGZPJMESA-N 2 0 399.583 3.267 20 0 GGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000269677218 1434668679 /nfs/dbraw/zinc/66/86/79/1434668679.db2.gz CYQUAWUUHVHNDD-ZHALLVOQSA-N 2 0 381.520 3.058 20 0 GGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000269677215 1434668704 /nfs/dbraw/zinc/66/87/04/1434668704.db2.gz CYQUAWUUHVHNDD-YQVWRLOYSA-N 2 0 381.520 3.058 20 0 GGADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000270047594 1434696469 /nfs/dbraw/zinc/69/64/69/1434696469.db2.gz DMMGYGIWFIIZJO-QFIPXVFZSA-N 2 0 384.568 3.156 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270085899 1434701332 /nfs/dbraw/zinc/70/13/32/1434701332.db2.gz KCLTZGBMJLSNTI-JOCHJYFZSA-N 2 0 386.584 3.400 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270085901 1434701405 /nfs/dbraw/zinc/70/14/05/1434701405.db2.gz KCLTZGBMJLSNTI-QFIPXVFZSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000270246444 1434716125 /nfs/dbraw/zinc/71/61/25/1434716125.db2.gz PWOVBONSOKNCRI-UEVCKROQSA-N 2 0 398.595 3.413 20 0 GGADRP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OCC ZINC000270485260 1434737969 /nfs/dbraw/zinc/73/79/69/1434737969.db2.gz AEIJFDRSZROOIC-UHFFFAOYSA-N 2 0 389.584 3.474 20 0 GGADRP Cc1ccc2c(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc(=O)oc2c1C ZINC000270821792 1434778657 /nfs/dbraw/zinc/77/86/57/1434778657.db2.gz BKAYUUKUYVQVOB-UHFFFAOYSA-N 2 0 397.563 3.400 20 0 GGADRP COC(=O)c1cc2cc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)ccc2o1 ZINC000270870691 1434783722 /nfs/dbraw/zinc/78/37/22/1434783722.db2.gz JCEMXJOSORUUEW-UHFFFAOYSA-N 2 0 399.535 3.210 20 0 GGADRP CC(C)n1ncc2cc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cnc21 ZINC000271001141 1434794891 /nfs/dbraw/zinc/79/48/91/1434794891.db2.gz YVWDTVQOEPSMIA-UHFFFAOYSA-N 2 0 384.572 3.003 20 0 GGADRP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1OC(C)C ZINC000271222950 1434809012 /nfs/dbraw/zinc/80/90/12/1434809012.db2.gz PTJHWPQFLKSUON-UHFFFAOYSA-N 2 0 389.584 3.473 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc3nccn32)cc1OC ZINC000271330110 1434816538 /nfs/dbraw/zinc/81/65/38/1434816538.db2.gz ZQFATJZEHHRIMY-UHFFFAOYSA-N 2 0 382.508 3.353 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271517201 1434831228 /nfs/dbraw/zinc/83/12/28/1434831228.db2.gz OZUBKSFAAPWONK-NDXORKPFSA-N 2 0 388.556 3.245 20 0 GGADRP CN(CC[N@H+](C)Cc1ccc(OCc2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000271619767 1434839616 /nfs/dbraw/zinc/83/96/16/1434839616.db2.gz DPQXPJGPNSPOLH-UHFFFAOYSA-N 2 0 382.552 3.118 20 0 GGADRP C[NH+](CCCn1ccnc1)Cc1cccc(C[N@H+](C)CCCn2ccnc2)c1 ZINC000271682979 1434844005 /nfs/dbraw/zinc/84/40/05/1434844005.db2.gz KFHTUMBYGKNEMB-UHFFFAOYSA-N 2 0 380.540 3.124 20 0 GGADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271753484 1434848107 /nfs/dbraw/zinc/84/81/07/1434848107.db2.gz RXCCNEONMNDYDP-IVMQYODDSA-N 2 0 379.570 3.028 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271872982 1434856095 /nfs/dbraw/zinc/85/60/95/1434856095.db2.gz QQLMBYADQLVVJE-MRXNPFEDSA-N 2 0 375.538 3.027 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271872126 1434856177 /nfs/dbraw/zinc/85/61/77/1434856177.db2.gz QLPHOBDBONHNTA-KRWDZBQOSA-N 2 0 387.549 3.171 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272160669 1434875458 /nfs/dbraw/zinc/87/54/58/1434875458.db2.gz DMBSQJVDVIMLFY-RYQLBKOJSA-N 2 0 383.458 3.040 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272345890 1434889127 /nfs/dbraw/zinc/88/91/27/1434889127.db2.gz PTABIZQODKBOOA-AZUAARDMSA-N 2 0 381.520 3.384 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400184 1434893984 /nfs/dbraw/zinc/89/39/84/1434893984.db2.gz YSPHCUZGOQVKFJ-VJBMBRPKSA-N 2 0 398.595 3.270 20 0 GGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272449721 1434897211 /nfs/dbraw/zinc/89/72/11/1434897211.db2.gz PLOGFYPPXJBGNS-WIYYLYMNSA-N 2 0 386.540 3.109 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272534802 1434904995 /nfs/dbraw/zinc/90/49/95/1434904995.db2.gz PDWOYLSULQSAJV-BDKRGJGYSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272543432 1434906066 /nfs/dbraw/zinc/90/60/66/1434906066.db2.gz QDTYTHULIFLKAY-SIKLNZKXSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000272579352 1434910351 /nfs/dbraw/zinc/91/03/51/1434910351.db2.gz MGKNYCNIVWVGLJ-PSWRPDDJSA-N 2 0 384.568 3.023 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000272588796 1434911593 /nfs/dbraw/zinc/91/15/93/1434911593.db2.gz RQQHPIHUCPTWGF-UHFFFAOYSA-N 2 0 399.501 3.150 20 0 GGADRP Cc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272609116 1434914433 /nfs/dbraw/zinc/91/44/33/1434914433.db2.gz KCWPQTMSUIROEL-JOCHJYFZSA-N 2 0 384.545 3.339 20 0 GGADRP C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272686436 1434922647 /nfs/dbraw/zinc/92/26/47/1434922647.db2.gz UNWGLYNNFYCCGM-AEFFLSMTSA-N 2 0 387.474 3.195 20 0 GGADRP C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272686440 1434922686 /nfs/dbraw/zinc/92/26/86/1434922686.db2.gz UNWGLYNNFYCCGM-SJLPKXTDSA-N 2 0 387.474 3.195 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272691942 1434923287 /nfs/dbraw/zinc/92/32/87/1434923287.db2.gz WBSJSBDAYPEPIE-QTEQDKRBSA-N 2 0 394.563 3.307 20 0 GGADRP CCNC(=O)COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272762070 1434929025 /nfs/dbraw/zinc/92/90/25/1434929025.db2.gz LTRDNKFNUNGJGV-SIKLNZKXSA-N 2 0 395.547 3.202 20 0 GGADRP CCNC(=O)COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272762069 1434929035 /nfs/dbraw/zinc/92/90/35/1434929035.db2.gz LTRDNKFNUNGJGV-KNQAVFIVSA-N 2 0 395.547 3.202 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000272794032 1434931425 /nfs/dbraw/zinc/93/14/25/1434931425.db2.gz YAEIIKGCTRRMOR-WZONZLPQSA-N 2 0 376.504 3.290 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000272943981 1434942939 /nfs/dbraw/zinc/94/29/39/1434942939.db2.gz CMQAJZPXJLWIPF-QFIPXVFZSA-N 2 0 395.478 3.237 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273172850 1434968917 /nfs/dbraw/zinc/96/89/17/1434968917.db2.gz MRYCOSWIVIXJTG-SFHVURJKSA-N 2 0 383.536 3.454 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000273371401 1434983935 /nfs/dbraw/zinc/98/39/35/1434983935.db2.gz FETKFOXOXZEFDU-QFIPXVFZSA-N 2 0 377.488 3.098 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000273383624 1434985165 /nfs/dbraw/zinc/98/51/65/1434985165.db2.gz IUNBONOFOJWWON-LJQANCHMSA-N 2 0 386.584 3.331 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000273499160 1434992541 /nfs/dbraw/zinc/99/25/41/1434992541.db2.gz YFIQHBASZPESQE-AEFFLSMTSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000273499163 1434992695 /nfs/dbraw/zinc/99/26/95/1434992695.db2.gz YFIQHBASZPESQE-WMZOPIPTSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000273499161 1434992805 /nfs/dbraw/zinc/99/28/05/1434992805.db2.gz YFIQHBASZPESQE-FUHWJXTLSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274741652 1435088888 /nfs/dbraw/zinc/08/88/88/1435088888.db2.gz FIXLQNALLOWVGG-WPYKKVEZSA-N 2 0 392.547 3.073 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274741653 1435088989 /nfs/dbraw/zinc/08/89/89/1435088989.db2.gz FIXLQNALLOWVGG-XKCSPQBFSA-N 2 0 392.547 3.073 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274749792 1435089509 /nfs/dbraw/zinc/08/95/09/1435089509.db2.gz HFIDUINYCHRGCW-ZWSUVBHBSA-N 3 0 393.575 3.253 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274820771 1435095524 /nfs/dbraw/zinc/09/55/24/1435095524.db2.gz BOLZZOUFCNIXAK-IRLDBZIGSA-N 3 0 384.612 3.045 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000274830418 1435096397 /nfs/dbraw/zinc/09/63/97/1435096397.db2.gz JKXQRXYUWTUIIH-ICSRJNTNSA-N 2 0 386.540 3.396 20 0 GGADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000274845548 1435097401 /nfs/dbraw/zinc/09/74/01/1435097401.db2.gz GGFLRRPWQWVZRZ-OAHLLOKOSA-N 2 0 378.536 3.461 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274872576 1435099886 /nfs/dbraw/zinc/09/98/86/1435099886.db2.gz GAQFUJFSMGCHGW-AVRDEDQJSA-N 2 0 386.561 3.231 20 0 GGADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000274872523 1435099996 /nfs/dbraw/zinc/09/99/96/1435099996.db2.gz FXUYMQCAJHIJRE-RXVVDRJESA-N 2 0 384.520 3.067 20 0 GGADRP C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274879286 1435100397 /nfs/dbraw/zinc/10/03/97/1435100397.db2.gz HGNACYXJIQRQMX-WIYYLYMNSA-N 2 0 381.520 3.012 20 0 GGADRP C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274879277 1435100483 /nfs/dbraw/zinc/10/04/83/1435100483.db2.gz HGNACYXJIQRQMX-NQIIRXRSSA-N 2 0 381.520 3.012 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274892439 1435101638 /nfs/dbraw/zinc/10/16/38/1435101638.db2.gz JPHSBFPRKKCBMV-SIKLNZKXSA-N 2 0 395.547 3.154 20 0 GGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000275156156 1435119715 /nfs/dbraw/zinc/11/97/15/1435119715.db2.gz TVCMEDWYTUZJDK-JOCHJYFZSA-N 2 0 383.580 3.479 20 0 GGADRP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000275532389 1435146129 /nfs/dbraw/zinc/14/61/29/1435146129.db2.gz LYUIFJZCXPHMQF-VZGLXOSZSA-N 2 0 394.563 3.481 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000275643922 1435155678 /nfs/dbraw/zinc/15/56/78/1435155678.db2.gz MBGXWECYVJUNEN-NRFANRHFSA-N 2 0 394.563 3.477 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000275665488 1435157947 /nfs/dbraw/zinc/15/79/47/1435157947.db2.gz BUUCGQFGDDSTSX-ONTIZHBOSA-N 2 0 385.556 3.197 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000275736710 1435164173 /nfs/dbraw/zinc/16/41/73/1435164173.db2.gz LENVDVWJAUJVKR-UHFFFAOYSA-N 2 0 386.540 3.275 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000275804073 1435171173 /nfs/dbraw/zinc/17/11/73/1435171173.db2.gz DFKIVBIOIIFIGL-RJGXRXQPSA-N 2 0 397.567 3.075 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000275886042 1435177236 /nfs/dbraw/zinc/17/72/36/1435177236.db2.gz QBGOWTAGJRQNBV-QFIPXVFZSA-N 2 0 393.535 3.448 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000275928015 1435180348 /nfs/dbraw/zinc/18/03/48/1435180348.db2.gz QZZGRNXGGRNHJN-KSEOMHKRSA-N 2 0 379.552 3.187 20 0 GGADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000276461136 1435212725 /nfs/dbraw/zinc/21/27/25/1435212725.db2.gz XNISZBJERGMJGZ-UHFFFAOYSA-N 2 0 382.508 3.167 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276472542 1435213327 /nfs/dbraw/zinc/21/33/27/1435213327.db2.gz BPBZXGWQRWCVKT-UHFFFAOYSA-N 2 0 391.559 3.359 20 0 GGADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276504201 1435214900 /nfs/dbraw/zinc/21/49/00/1435214900.db2.gz PQMCJWJGPSUVPW-NRFANRHFSA-N 2 0 389.588 3.057 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000276728386 1435228424 /nfs/dbraw/zinc/22/84/24/1435228424.db2.gz YHQRJLSKILIFED-NTKDMRAZSA-N 2 0 391.559 3.500 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000276737746 1435228994 /nfs/dbraw/zinc/22/89/94/1435228994.db2.gz AKWNZCPJFIKJIR-FXAWDEMLSA-N 2 0 381.524 3.434 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000276816046 1435234836 /nfs/dbraw/zinc/23/48/36/1435234836.db2.gz GDYDJBXCZAVWJC-SFHVURJKSA-N 2 0 387.572 3.028 20 0 GGADRP C[C@H](c1nc(-c2ccc(N3CCC[NH+](C)CC3)nc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276981630 1435249407 /nfs/dbraw/zinc/24/94/07/1435249407.db2.gz WBQXWBMHBQYGFU-IXDOHACOSA-N 2 0 384.528 3.207 20 0 GGADRP C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276981633 1435249486 /nfs/dbraw/zinc/24/94/86/1435249486.db2.gz WBQXWBMHBQYGFU-ZACQAIPSSA-N 2 0 384.528 3.207 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277090924 1435261024 /nfs/dbraw/zinc/26/10/24/1435261024.db2.gz NUUIFCPJOCGWDW-IBGZPJMESA-N 2 0 376.545 3.355 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277090926 1435261027 /nfs/dbraw/zinc/26/10/27/1435261027.db2.gz NUUIFCPJOCGWDW-LJQANCHMSA-N 2 0 376.545 3.355 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c(C)c2)CC1 ZINC000277407359 1435302342 /nfs/dbraw/zinc/30/23/42/1435302342.db2.gz FLWTUIZMQONDLH-LJQANCHMSA-N 2 0 387.572 3.085 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278031546 1435351952 /nfs/dbraw/zinc/35/19/52/1435351952.db2.gz KCRRPKLQQPCBMH-GCJKJVERSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278031550 1435352083 /nfs/dbraw/zinc/35/20/83/1435352083.db2.gz KCRRPKLQQPCBMH-PGRDOPGGSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278082048 1435357371 /nfs/dbraw/zinc/35/73/71/1435357371.db2.gz PEKPYXOYFZURCZ-GHTZIAJQSA-N 2 0 384.568 3.213 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278105149 1435359854 /nfs/dbraw/zinc/35/98/54/1435359854.db2.gz JSVSIJARDAVNQT-QFIPXVFZSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278289482 1435376741 /nfs/dbraw/zinc/37/67/41/1435376741.db2.gz ZPGQHJCAFXBHFZ-RXVVDRJESA-N 2 0 384.568 3.071 20 0 GGADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363132 1435384068 /nfs/dbraw/zinc/38/40/68/1435384068.db2.gz BMDUAHMERJCHLX-RBUKOAKNSA-N 2 0 386.540 3.151 20 0 GGADRP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000278488753 1435394726 /nfs/dbraw/zinc/39/47/26/1435394726.db2.gz LUGNQTTZOJDLTG-FQEVSTJZSA-N 2 0 399.510 3.212 20 0 GGADRP CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278728335 1435417885 /nfs/dbraw/zinc/41/78/85/1435417885.db2.gz QFNURKAFARTGDD-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279314268 1435485497 /nfs/dbraw/zinc/48/54/97/1435485497.db2.gz CVSJHHOSQLLWIA-SZPZYZBQSA-N 2 0 392.547 3.386 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279533818 1435510525 /nfs/dbraw/zinc/51/05/25/1435510525.db2.gz UWQLBTBONCJXDR-CRAIPNDOSA-N 2 0 379.907 3.217 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279533821 1435510714 /nfs/dbraw/zinc/51/07/14/1435510714.db2.gz UWQLBTBONCJXDR-MAUKXSAKSA-N 2 0 379.907 3.217 20 0 GGADRP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000280024236 1435579010 /nfs/dbraw/zinc/57/90/10/1435579010.db2.gz HOYZUWAVNVYJKU-TZIWHRDSSA-N 2 0 382.504 3.048 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000280082889 1435588765 /nfs/dbraw/zinc/58/87/65/1435588765.db2.gz YMKNBFJNPSCUEP-UHFFFAOYSA-N 2 0 385.899 3.151 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)[C@H](C)C1 ZINC000280125736 1435596261 /nfs/dbraw/zinc/59/62/61/1435596261.db2.gz AIJVZKBYGCBMMO-APWZRJJASA-N 2 0 391.947 3.147 20 0 GGADRP CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000280465712 1435665347 /nfs/dbraw/zinc/66/53/47/1435665347.db2.gz OQIBPOXGZSWUNY-SZPZYZBQSA-N 2 0 383.580 3.335 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280645838 1435696917 /nfs/dbraw/zinc/69/69/17/1435696917.db2.gz NRGGIBCYOFVHQN-UHFFFAOYSA-N 2 0 381.568 3.357 20 0 GGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000280803645 1435723626 /nfs/dbraw/zinc/72/36/26/1435723626.db2.gz HNYIFCPGPRNFAY-UHFFFAOYSA-N 2 0 390.531 3.427 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923697 1435742119 /nfs/dbraw/zinc/74/21/19/1435742119.db2.gz RFTQNJXVYLGTLR-XZOQPEGZSA-N 2 0 392.547 3.410 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000281043268 1435762284 /nfs/dbraw/zinc/76/22/84/1435762284.db2.gz ZPCWSYUCQLUSOI-QZTJIDSGSA-N 2 0 398.551 3.132 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000281120335 1435778729 /nfs/dbraw/zinc/77/87/29/1435778729.db2.gz DCPSAQCJXMRYOW-LEWJYISDSA-N 2 0 379.552 3.353 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000281136147 1435781976 /nfs/dbraw/zinc/78/19/76/1435781976.db2.gz FLPGLAWBKVKRNW-TZIWHRDSSA-N 2 0 379.552 3.353 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281287614 1435802495 /nfs/dbraw/zinc/80/24/95/1435802495.db2.gz JBSLXCMMOZSOPL-UHFFFAOYSA-N 2 0 383.540 3.235 20 0 GGADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000281611033 1435815498 /nfs/dbraw/zinc/81/54/98/1435815498.db2.gz BFFJHSUGVAMFHP-MJGOQNOKSA-N 2 0 383.458 3.028 20 0 GGADRP COCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000281612413 1435815705 /nfs/dbraw/zinc/81/57/05/1435815705.db2.gz BGZFBRJIOWWDSG-OAQYLSRUSA-N 2 0 386.515 3.230 20 0 GGADRP COCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000281612410 1435815738 /nfs/dbraw/zinc/81/57/38/1435815738.db2.gz BGZFBRJIOWWDSG-NRFANRHFSA-N 2 0 386.515 3.230 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccnn1-c1ccccc1 ZINC000281725886 1435819647 /nfs/dbraw/zinc/81/96/47/1435819647.db2.gz USEISJPSYXGIAS-AVRDEDQJSA-N 2 0 376.504 3.290 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281887755 1435825557 /nfs/dbraw/zinc/82/55/57/1435825557.db2.gz ASXCFJRXDPXSCV-UGKGYDQZSA-N 2 0 399.579 3.095 20 0 GGADRP COCCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282016737 1435831223 /nfs/dbraw/zinc/83/12/23/1435831223.db2.gz RUUGHFGHBRUNGH-NRFANRHFSA-N 2 0 386.515 3.230 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1(C)C ZINC000282111092 1435835086 /nfs/dbraw/zinc/83/50/86/1435835086.db2.gz AFNSWYQFGDWDNC-UHFFFAOYSA-N 2 0 396.982 3.059 20 0 GGADRP COCCC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000282131115 1435835803 /nfs/dbraw/zinc/83/58/03/1435835803.db2.gz BLOCRCXJCFKSTA-HXUWFJFHSA-N 2 0 375.488 3.419 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)[C@H](C)C1 ZINC000282207999 1435838436 /nfs/dbraw/zinc/83/84/36/1435838436.db2.gz IUZYQEGHDVDYPC-APWZRJJASA-N 2 0 376.570 3.375 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)[C@@H](C)C1 ZINC000282208001 1435838454 /nfs/dbraw/zinc/83/84/54/1435838454.db2.gz IUZYQEGHDVDYPC-LPHOPBHVSA-N 2 0 376.570 3.375 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282402238 1435845890 /nfs/dbraw/zinc/84/58/90/1435845890.db2.gz FIIFSWZVHVOZMK-QHCPKHFHSA-N 2 0 386.628 3.293 20 0 GGADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(-c2cnn(C)c2)c1 ZINC000282655312 1435855245 /nfs/dbraw/zinc/85/52/45/1435855245.db2.gz MHZZSHKUOUAHML-HSZRJFAPSA-N 2 0 390.531 3.252 20 0 GGADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1=CC[NH+](C)CC1 ZINC000282703449 1435857069 /nfs/dbraw/zinc/85/70/69/1435857069.db2.gz JMGXBFCCQFVFIH-RXVVDRJESA-N 2 0 384.568 3.237 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000282716053 1435857648 /nfs/dbraw/zinc/85/76/48/1435857648.db2.gz RFADHTLPJUBYMN-UHFFFAOYSA-N 2 0 379.508 3.114 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000282769091 1435859625 /nfs/dbraw/zinc/85/96/25/1435859625.db2.gz JHQLUYGWROOKNW-HDICACEKSA-N 2 0 397.567 3.205 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000282769094 1435859704 /nfs/dbraw/zinc/85/97/04/1435859704.db2.gz JHQLUYGWROOKNW-ROUUACIJSA-N 2 0 397.567 3.205 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000283248536 1435881173 /nfs/dbraw/zinc/88/11/73/1435881173.db2.gz JSPWOJNINZTCSZ-FGZHOGPDSA-N 2 0 386.628 3.149 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC000283459195 1435890886 /nfs/dbraw/zinc/89/08/86/1435890886.db2.gz YSBMVMOMSKBEOZ-UHFFFAOYSA-N 2 0 396.583 3.067 20 0 GGADRP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC12CCOCC2 ZINC000283468537 1435891261 /nfs/dbraw/zinc/89/12/61/1435891261.db2.gz WAVSNMQABCCXSI-JFDBCFPISA-N 2 0 384.564 3.054 20 0 GGADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489294 1435892261 /nfs/dbraw/zinc/89/22/61/1435892261.db2.gz XVSKQIJQVXAFSK-SFTDATJTSA-N 2 0 397.519 3.293 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2ccncc2)n1 ZINC000283814618 1435929009 /nfs/dbraw/zinc/92/90/09/1435929009.db2.gz BZUZUYVBPHVIPF-UHFFFAOYSA-N 2 0 391.519 3.245 20 0 GGADRP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)c1ccccc1O2 ZINC000283952827 1435960341 /nfs/dbraw/zinc/96/03/41/1435960341.db2.gz KLGSABXGLDYLHE-LJQANCHMSA-N 2 0 376.460 3.052 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000284243733 1436006692 /nfs/dbraw/zinc/00/66/92/1436006692.db2.gz FFMOOZMLWQPPFN-UHFFFAOYSA-N 2 0 394.563 3.309 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293448 1436010751 /nfs/dbraw/zinc/01/07/51/1436010751.db2.gz YDGVYGDMIBRDLZ-AZUAARDMSA-N 2 0 387.568 3.396 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293452 1436010817 /nfs/dbraw/zinc/01/08/17/1436010817.db2.gz YDGVYGDMIBRDLZ-QUCCMNQESA-N 2 0 387.568 3.396 20 0 GGADRP CO[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000284343890 1436014582 /nfs/dbraw/zinc/01/45/82/1436014582.db2.gz JPBPCZDFVFDEMQ-JOCHJYFZSA-N 2 0 387.568 3.078 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284386810 1436017865 /nfs/dbraw/zinc/01/78/65/1436017865.db2.gz OVWYHLQNTQFBEJ-UHFFFAOYSA-N 2 0 381.568 3.201 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2)CC1 ZINC001164413285 718881266 /nfs/dbraw/zinc/88/12/66/718881266.db2.gz GMTANTNRFZWHDB-QGZVFWFLSA-N 3 0 398.473 3.208 20 0 GGADRP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)cc1 ZINC001164625985 719046741 /nfs/dbraw/zinc/04/67/41/719046741.db2.gz QAUJMWSPYDATBA-ZJSXRUAMSA-N 2 0 392.547 3.140 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2)CC1 ZINC001164619624 719049214 /nfs/dbraw/zinc/04/92/14/719049214.db2.gz CZBKUUWMIDMURJ-UPVQGACJSA-N 3 0 392.547 3.138 20 0 GGADRP Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164629170 719057924 /nfs/dbraw/zinc/05/79/24/719057924.db2.gz WHKLCWHORMEUSB-NHCUHLMSSA-N 2 0 377.536 3.486 20 0 GGADRP [NH3+]C1([C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164627452 719116909 /nfs/dbraw/zinc/11/69/09/719116909.db2.gz KMDOKBICULVFII-UXHICEINSA-N 2 0 380.511 3.153 20 0 GGADRP C[NH+](C)Cc1ccnc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164647277 719297108 /nfs/dbraw/zinc/29/71/08/719297108.db2.gz DGVDWSBEXOWXHZ-UNMCSNQZSA-N 2 0 384.499 3.332 20 0 GGADRP C[NH+](C)Cc1ccnc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164647275 719297287 /nfs/dbraw/zinc/29/72/87/719297287.db2.gz DGVDWSBEXOWXHZ-RBBKRZOGSA-N 2 0 384.499 3.332 20 0 GGADRP CC(C)C[NH+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164662199 719340885 /nfs/dbraw/zinc/34/08/85/719340885.db2.gz OMGCOSARFZYXCT-UHFFFAOYSA-N 2 0 384.902 3.435 20 0 GGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164717479 720116282 /nfs/dbraw/zinc/11/62/82/720116282.db2.gz PIARAWRPIYUFEM-NRFANRHFSA-N 2 0 395.551 3.050 20 0 GGADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164834288 720555234 /nfs/dbraw/zinc/55/52/34/720555234.db2.gz DGZCJYOUKGRDOO-SFHLNBCPSA-N 2 0 383.540 3.443 20 0 GGADRP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164835523 720556153 /nfs/dbraw/zinc/55/61/53/720556153.db2.gz HQRIIIUGGKJJHI-WAOWUJCRSA-N 2 0 378.524 3.446 20 0 GGADRP Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(N(C)C)[nH+]1 ZINC001164840999 720665873 /nfs/dbraw/zinc/66/58/73/720665873.db2.gz OOWYEBXACKGQNB-FQEVSTJZSA-N 2 0 395.551 3.111 20 0 GGADRP CN(C)c1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839749 720689624 /nfs/dbraw/zinc/68/96/24/720689624.db2.gz BOCZTAXUFUWYSX-NRFANRHFSA-N 2 0 380.536 3.408 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C[NH+](C)C3CC3)cn1)[C@@H]2C ZINC001164863795 721008947 /nfs/dbraw/zinc/00/89/47/721008947.db2.gz VCROFBVEMDPGHR-QGZVFWFLSA-N 2 0 382.556 3.294 20 0 GGADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5c4CC[NH2+]C5)CC3)CC2)cc1 ZINC001164758686 721043552 /nfs/dbraw/zinc/04/35/52/721043552.db2.gz AMKHOLOAYNVESG-UHFFFAOYSA-N 2 0 391.563 3.313 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)cc(C)[nH+]3)C2)C1 ZINC001164778039 721333275 /nfs/dbraw/zinc/33/32/75/721333275.db2.gz TUKCBSKBBVTQDF-QFIPXVFZSA-N 2 0 384.524 3.422 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4[nH]ccc4c[nH+]3)C2)C1 ZINC001164776710 721337329 /nfs/dbraw/zinc/33/73/29/721337329.db2.gz HXUQMOIVYJRJEJ-QFIPXVFZSA-N 2 0 395.507 3.287 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164906777 721545223 /nfs/dbraw/zinc/54/52/23/721545223.db2.gz LHOVFLXVXYIMRQ-TZIWHRDSSA-N 2 0 382.483 3.163 20 0 GGADRP CN(C)c1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164903723 721586471 /nfs/dbraw/zinc/58/64/71/721586471.db2.gz BXKJVNWNZBGWMH-HXUWFJFHSA-N 2 0 387.478 3.280 20 0 GGADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027566 721827571 /nfs/dbraw/zinc/82/75/71/721827571.db2.gz SQTJEPJGKZLPJF-KSEOMHKRSA-N 2 0 379.552 3.275 20 0 GGADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)C[C@H]21 ZINC001165030230 721828001 /nfs/dbraw/zinc/82/80/01/721828001.db2.gz ZCABJOJTVPAOFL-VLCRHTCISA-N 2 0 388.519 3.399 20 0 GGADRP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164925202 721867864 /nfs/dbraw/zinc/86/78/64/721867864.db2.gz MXGXBVOWZMLJID-GOTSBHOMSA-N 2 0 389.547 3.299 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC[NH+]3CCN(C)C)nc1 ZINC001164930928 721887453 /nfs/dbraw/zinc/88/74/53/721887453.db2.gz DKFFTFBTBAZMQZ-VSKRKVRLSA-N 2 0 385.600 3.233 20 0 GGADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165046130 721968018 /nfs/dbraw/zinc/96/80/18/721968018.db2.gz BQXKGSGHHGJYQJ-KRWDZBQOSA-N 2 0 377.964 3.442 20 0 GGADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165046131 721968107 /nfs/dbraw/zinc/96/81/07/721968107.db2.gz BQXKGSGHHGJYQJ-QGZVFWFLSA-N 2 0 377.964 3.442 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824579147 946828119 /nfs/dbraw/zinc/82/81/19/946828119.db2.gz XVRRPMSDPJXORV-MJGOQNOKSA-N 2 0 376.508 3.082 20 0 GGADRP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000116349978 1126075877 /nfs/dbraw/zinc/07/58/77/1126075877.db2.gz XVXOVMYQTGWPIZ-NRFANRHFSA-N 2 0 393.531 3.336 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001177821587 1126150554 /nfs/dbraw/zinc/15/05/54/1126150554.db2.gz AEQAGOGBSJMXMG-PMACEKPBSA-N 2 0 396.453 3.251 20 0 GGADRP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2)[C@@H]1C(C)C ZINC001550423931 1126206606 /nfs/dbraw/zinc/20/66/06/1126206606.db2.gz URDQNMREEXZIEJ-DUPRYPCISA-N 2 0 375.538 3.363 20 0 GGADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1OC ZINC000359877532 209198695 /nfs/dbraw/zinc/19/86/95/209198695.db2.gz QCCNDZJOLAWCGX-UHFFFAOYSA-N 2 0 392.540 3.037 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000118841293 564247294 /nfs/dbraw/zinc/24/72/94/564247294.db2.gz GLGKHMXOEGUZAH-ZDUSSCGKSA-N 2 0 386.309 3.190 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868687 564247433 /nfs/dbraw/zinc/24/74/33/564247433.db2.gz KOBJGKNOHATWAH-AWEZNQCLSA-N 2 0 382.346 3.440 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425828 564269915 /nfs/dbraw/zinc/26/99/15/564269915.db2.gz FVZNLLPLOJHXDD-KGLIPLIRSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)CN1CC[NH+](C)CC1 ZINC000120836864 564339804 /nfs/dbraw/zinc/33/98/04/564339804.db2.gz HPDOXYPOCKTEFM-SCLBCKFNSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)CN1CC[NH+](C)CC1 ZINC000120837308 564340359 /nfs/dbraw/zinc/34/03/59/564340359.db2.gz HPDOXYPOCKTEFM-ACJLOTCBSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000120956977 564344950 /nfs/dbraw/zinc/34/49/50/564344950.db2.gz ZNCNUSWGVNZZJW-YOEHRIQHSA-N 2 0 398.414 3.459 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)CN1CC[NH+](C)CC1 ZINC000121015522 564347988 /nfs/dbraw/zinc/34/79/88/564347988.db2.gz SGIFOUCADFNLCK-KBPBESRZSA-N 2 0 375.891 3.476 20 0 GGADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br)CN1CC[NH+](C)CC1 ZINC000121002462 564348149 /nfs/dbraw/zinc/34/81/49/564348149.db2.gz RRTQAELNALRNGO-RKVPGOIHSA-N 2 0 380.374 3.471 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000121015838 564348172 /nfs/dbraw/zinc/34/81/72/564348172.db2.gz SGIFOUCADFNLCK-UONOGXRCSA-N 2 0 375.891 3.476 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000121106828 564353370 /nfs/dbraw/zinc/35/33/70/564353370.db2.gz XLPKPXVWUXDAPS-CVEARBPZSA-N 2 0 398.389 3.382 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000121139210 564355069 /nfs/dbraw/zinc/35/50/69/564355069.db2.gz GOHFYBOJWNSAGE-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000121139084 564355105 /nfs/dbraw/zinc/35/51/05/564355105.db2.gz GOHFYBOJWNSAGE-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000121149092 564356207 /nfs/dbraw/zinc/35/62/07/564356207.db2.gz WSGIPBJGPFHCNW-IFXJQAMLSA-N 2 0 398.364 3.439 20 0 GGADRP CCOc1c(Br)cc(Br)cc1C[NH2+]CCCC[NH3+] ZINC000037715430 564421979 /nfs/dbraw/zinc/42/19/79/564421979.db2.gz MLDCKTSIRCNBKC-UHFFFAOYSA-N 2 0 380.124 3.439 20 0 GGADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123035716 564436847 /nfs/dbraw/zinc/43/68/47/564436847.db2.gz FVDGXQRIYPREDD-HNNXBMFYSA-N 2 0 377.330 3.420 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000124346050 564479663 /nfs/dbraw/zinc/47/96/63/564479663.db2.gz OVTGMQAJYGFMKI-IBGZPJMESA-N 2 0 380.374 3.300 20 0 GGADRP Cc1ccc(Br)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000124823547 564494326 /nfs/dbraw/zinc/49/43/26/564494326.db2.gz DYUPKIWVZSZOBX-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125290508 564510188 /nfs/dbraw/zinc/51/01/88/564510188.db2.gz CHWYRPAAGGJXFH-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125290300 564510254 /nfs/dbraw/zinc/51/02/54/564510254.db2.gz CHWYRPAAGGJXFH-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000127601278 564589586 /nfs/dbraw/zinc/58/95/86/564589586.db2.gz HQADAVUHZPGQML-BBRMVZONSA-N 2 0 384.387 3.212 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Br)c21 ZINC000128136949 564608512 /nfs/dbraw/zinc/60/85/12/564608512.db2.gz XKMJGUANRHPDIV-JKIFEVAISA-N 2 0 394.357 3.174 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000128273776 564613489 /nfs/dbraw/zinc/61/34/89/564613489.db2.gz SYXUUVHINBGSOL-GOSISDBHSA-N 2 0 384.337 3.193 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000128553123 564621954 /nfs/dbraw/zinc/62/19/54/564621954.db2.gz IUHFHXMBMPKLOJ-GOSISDBHSA-N 2 0 396.373 3.280 20 0 GGADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128709154 564627190 /nfs/dbraw/zinc/62/71/90/564627190.db2.gz DPNRDJCRANQZMM-OAHLLOKOSA-N 2 0 386.353 3.136 20 0 GGADRP COc1ccc(Br)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253089 564711563 /nfs/dbraw/zinc/71/15/63/564711563.db2.gz AFBLLVRUAAQYEN-GJZGRUSLSA-N 2 0 385.346 3.437 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000132384441 564741884 /nfs/dbraw/zinc/74/18/84/564741884.db2.gz XQKNZVLXLMYXKQ-RBUKOAKNSA-N 2 0 380.374 3.298 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000132372626 564741967 /nfs/dbraw/zinc/74/19/67/564741967.db2.gz WMECEHVYZCNHNI-CRAIPNDOSA-N 2 0 398.389 3.380 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)N1CC[NH+](C)CC1 ZINC000132428488 564742887 /nfs/dbraw/zinc/74/28/87/564742887.db2.gz VXNNWBRNFJWKTO-RTBURBONSA-N 2 0 398.364 3.437 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)N1CC[NH+](C)CC1 ZINC000134308188 564799985 /nfs/dbraw/zinc/79/99/85/564799985.db2.gz NKMHTAJSNOAAJL-ZWKOTPCHSA-N 2 0 398.364 3.437 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134315793 564800017 /nfs/dbraw/zinc/80/00/17/564800017.db2.gz XHQVQRMPEHXUJY-KRWDZBQOSA-N 2 0 384.337 3.193 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134380806 564800943 /nfs/dbraw/zinc/80/09/43/564800943.db2.gz PRBLKKQSBBGYQB-GOSISDBHSA-N 2 0 398.364 3.439 20 0 GGADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000134382890 564801075 /nfs/dbraw/zinc/80/10/75/564801075.db2.gz UKDJXEDZIJYWON-PXAZEXFGSA-N 2 0 386.765 3.315 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000134382850 564801626 /nfs/dbraw/zinc/80/16/26/564801626.db2.gz UKDJXEDZIJYWON-SJKOYZFVSA-N 2 0 386.765 3.315 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000134392448 564802518 /nfs/dbraw/zinc/80/25/18/564802518.db2.gz HQGANOXLTQRRKS-DYVFJYSZSA-N 2 0 385.321 3.402 20 0 GGADRP CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000135424163 564831232 /nfs/dbraw/zinc/83/12/32/564831232.db2.gz VNJMBQMTPZSFCD-GOSISDBHSA-N 2 0 379.595 3.001 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000150998373 564900922 /nfs/dbraw/zinc/90/09/22/564900922.db2.gz JKOKFRLZXQWKLV-QGZVFWFLSA-N 2 0 383.330 3.171 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000150990047 564901047 /nfs/dbraw/zinc/90/10/47/564901047.db2.gz QHHSDGFXIJLSKD-SFHVURJKSA-N 2 0 396.373 3.278 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097708 564905351 /nfs/dbraw/zinc/90/53/51/564905351.db2.gz VDLWJAJKXSBGED-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151840824 564939359 /nfs/dbraw/zinc/93/93/59/564939359.db2.gz SELCTBMIOLOPJH-KBPBESRZSA-N 2 0 375.340 3.443 20 0 GGADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000151845907 564939441 /nfs/dbraw/zinc/93/94/41/564939441.db2.gz HGCBUYSCCKZKOM-MRXNPFEDSA-N 2 0 385.371 3.280 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207295 564951010 /nfs/dbraw/zinc/95/10/10/564951010.db2.gz LOQBXOBMEMJLMA-ZIAGYGMSSA-N 2 0 379.492 3.431 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)c2cccs2)CC1 ZINC000153289919 564989871 /nfs/dbraw/zinc/98/98/71/564989871.db2.gz CDVWTTXIVRGLHM-IAGOWNOFSA-N 2 0 381.611 3.075 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000154459369 565040235 /nfs/dbraw/zinc/04/02/35/565040235.db2.gz SRQJRMNGBTXPOJ-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP COCCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000154974643 565058930 /nfs/dbraw/zinc/05/89/30/565058930.db2.gz SWNULYRJRYGZIS-VQIMIIECSA-N 2 0 398.389 3.142 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155255595 565065151 /nfs/dbraw/zinc/06/51/51/565065151.db2.gz MGOPTMUJPIBWHX-YJBOKZPZSA-N 2 0 381.358 3.427 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628122 565069953 /nfs/dbraw/zinc/06/99/53/565069953.db2.gz NMPNXCOQWYOVNU-CRAIPNDOSA-N 2 0 396.373 3.278 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628011 565070131 /nfs/dbraw/zinc/07/01/31/565070131.db2.gz NMPNXCOQWYOVNU-MAUKXSAKSA-N 2 0 396.373 3.278 20 0 GGADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000183701903 565089497 /nfs/dbraw/zinc/08/94/97/565089497.db2.gz ABOHPBUJKMDYFG-UHFFFAOYSA-N 2 0 390.325 3.091 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(Br)c1 ZINC000370624181 565153013 /nfs/dbraw/zinc/15/30/13/565153013.db2.gz HQLJUUWPYDOUPP-HIFRSBDPSA-N 2 0 384.337 3.407 20 0 GGADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(Br)c1OC(F)F ZINC000271781842 565268737 /nfs/dbraw/zinc/26/87/37/565268737.db2.gz DTNLKZWFHZUBNW-UHFFFAOYSA-N 2 0 391.256 3.411 20 0 GGADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000271846927 565270016 /nfs/dbraw/zinc/27/00/16/565270016.db2.gz HVPMHDNYYVIWAJ-UHFFFAOYSA-N 2 0 378.358 3.265 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000186595006 565270714 /nfs/dbraw/zinc/27/07/14/565270714.db2.gz HXHJWPLZHNHFML-LSDHHAIUSA-N 2 0 384.362 3.134 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000162533797 565319299 /nfs/dbraw/zinc/31/92/99/565319299.db2.gz UBEDOXTYJPZSKH-MRXNPFEDSA-N 2 0 384.387 3.213 20 0 GGADRP COCCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000162516308 565319517 /nfs/dbraw/zinc/31/95/17/565319517.db2.gz LPPQZCKXKMYWIT-LJQANCHMSA-N 2 0 398.389 3.144 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000273917357 565345972 /nfs/dbraw/zinc/34/59/72/565345972.db2.gz YXYAJBUZPHUWOI-CQSZACIVSA-N 2 0 387.341 3.052 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000165179553 565367969 /nfs/dbraw/zinc/36/79/69/565367969.db2.gz OLVOMHPSAUZSFU-OAHLLOKOSA-N 2 0 395.345 3.154 20 0 GGADRP COCCC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000297355351 565368679 /nfs/dbraw/zinc/36/86/79/565368679.db2.gz PJGLJSKXTDDSAO-MOPGFXCFSA-N 2 0 399.373 3.353 20 0 GGADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000297639191 565379836 /nfs/dbraw/zinc/37/98/36/565379836.db2.gz MOIWAAFJEJRWLC-GOSISDBHSA-N 2 0 376.298 3.136 20 0 GGADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904855 565381917 /nfs/dbraw/zinc/38/19/17/565381917.db2.gz MIPLOUDTCCKXQY-IBGZPJMESA-N 2 0 388.383 3.424 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000168943027 565381991 /nfs/dbraw/zinc/38/19/91/565381991.db2.gz FNGONSXUTBITAU-AWEZNQCLSA-N 2 0 392.346 3.173 20 0 GGADRP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000298207192 565403758 /nfs/dbraw/zinc/40/37/58/565403758.db2.gz YQLSAOSXBYGQOE-GOSISDBHSA-N 2 0 376.298 3.136 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccsc1Cl ZINC000275687066 565423012 /nfs/dbraw/zinc/42/30/12/565423012.db2.gz QWCQIXDRYKHSMV-UHFFFAOYSA-N 2 0 379.917 3.130 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000171382972 565429400 /nfs/dbraw/zinc/42/94/00/565429400.db2.gz RSLCFYXLUJAKHQ-UHFFFAOYSA-N 2 0 383.989 3.212 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276602473 565454635 /nfs/dbraw/zinc/45/46/35/565454635.db2.gz GWJHRUODYJBTDY-NSHDSACASA-N 2 0 380.783 3.280 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000276659539 565456096 /nfs/dbraw/zinc/45/60/96/565456096.db2.gz PORNRLCAJWCLNE-MDASCCDHSA-N 2 0 381.358 3.348 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276647713 565456608 /nfs/dbraw/zinc/45/66/08/565456608.db2.gz SFZGCKBTJDKKOU-UHFFFAOYSA-N 2 0 381.767 3.489 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000276659543 565456957 /nfs/dbraw/zinc/45/69/57/565456957.db2.gz PORNRLCAJWCLNE-NIKGAXFTSA-N 2 0 381.358 3.348 20 0 GGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000377920991 565505000 /nfs/dbraw/zinc/50/50/00/565505000.db2.gz WXGRTKCCJKQFSI-SFHVURJKSA-N 2 0 386.367 3.473 20 0 GGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)CC1 ZINC000377907860 565505255 /nfs/dbraw/zinc/50/52/55/565505255.db2.gz KKJPYRYLCUMKGX-QGZVFWFLSA-N 2 0 386.367 3.473 20 0 GGADRP Cc1nn(C)c(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000379629247 565538896 /nfs/dbraw/zinc/53/88/96/565538896.db2.gz OOHLVSCFVFKGDD-CQSZACIVSA-N 2 0 379.346 3.491 20 0 GGADRP C[C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)CN1CC[NH+](C)CC1 ZINC000190599047 565545244 /nfs/dbraw/zinc/54/52/44/565545244.db2.gz OBIWTBZOVXNTEW-GUYCJALGSA-N 2 0 386.403 3.435 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190764446 565557378 /nfs/dbraw/zinc/55/73/78/565557378.db2.gz VHIISOGLUBFSAW-LLVKDONJSA-N 2 0 380.783 3.280 20 0 GGADRP CC[NH+]1CCC(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394649869 565571907 /nfs/dbraw/zinc/57/19/07/565571907.db2.gz UGGCBZVVDDXKAK-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000173794395 565587802 /nfs/dbraw/zinc/58/78/02/565587802.db2.gz MLNSAMOKWCZNIH-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP OC1CC[NH+](Cc2ccccc2CNCc2ccc(Br)o2)CC1 ZINC000191288212 565594489 /nfs/dbraw/zinc/59/44/89/565594489.db2.gz UESYCIHKMVYJJU-UHFFFAOYSA-N 2 0 379.298 3.289 20 0 GGADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000325295718 565621605 /nfs/dbraw/zinc/62/16/05/565621605.db2.gz YJRABDRJXVIMNZ-VKJFTORMSA-N 2 0 394.357 3.090 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@@H](C)O1 ZINC000174316480 565629729 /nfs/dbraw/zinc/62/97/29/565629729.db2.gz YTNCJIRCXLYLMV-HUUCEWRRSA-N 2 0 395.345 3.076 20 0 GGADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046212 565649538 /nfs/dbraw/zinc/64/95/38/565649538.db2.gz JHKSBVYVUULCIY-LLVKDONJSA-N 2 0 394.368 3.023 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192167134 565664471 /nfs/dbraw/zinc/66/44/71/565664471.db2.gz UYXKCPZBMVVLTN-CQSZACIVSA-N 2 0 388.781 3.466 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192167502 565664551 /nfs/dbraw/zinc/66/45/51/565664551.db2.gz JSLAYYNKOCJWNC-AWEZNQCLSA-N 2 0 375.738 3.429 20 0 GGADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280958421 565705666 /nfs/dbraw/zinc/70/56/66/565705666.db2.gz URMXMRBLZQXPQJ-KRWDZBQOSA-N 2 0 387.977 3.021 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192851997 565715758 /nfs/dbraw/zinc/71/57/58/565715758.db2.gz NRALXLJEBZDDGG-ALOPSCKCSA-N 2 0 394.357 3.012 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000411344545 565725057 /nfs/dbraw/zinc/72/50/57/565725057.db2.gz WYHHXRNXGSTDDN-UHFFFAOYSA-N 2 0 396.373 3.263 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cs3)c2)C1 ZINC000193095336 565732506 /nfs/dbraw/zinc/73/25/06/565732506.db2.gz KWBVCUDWWRSPHA-MRXNPFEDSA-N 2 0 377.941 3.389 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000411606278 565738659 /nfs/dbraw/zinc/73/86/59/565738659.db2.gz BKGWJMUSCQMNFD-GFCCVEGCSA-N 2 0 388.375 3.150 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000411743262 565749793 /nfs/dbraw/zinc/74/97/93/565749793.db2.gz IENSCVQAWLBHLJ-UHFFFAOYSA-N 2 0 396.373 3.183 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000282180229 565767648 /nfs/dbraw/zinc/76/76/48/565767648.db2.gz FPBVLJZSSSSDQX-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000282180232 565767927 /nfs/dbraw/zinc/76/79/27/565767927.db2.gz FPBVLJZSSSSDQX-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1Br ZINC000176826298 565805999 /nfs/dbraw/zinc/80/59/99/565805999.db2.gz QFXSVDICXFKCHI-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc(Br)c3)no1)CC[NH2+]CC2 ZINC000333622809 565890415 /nfs/dbraw/zinc/89/04/15/565890415.db2.gz UPMNPXSSOQVKGL-ZDUSSCGKSA-N 2 0 391.313 3.463 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285509203 565911229 /nfs/dbraw/zinc/91/12/29/565911229.db2.gz NHTFSYRWSVHYML-SJPCQFCGSA-N 2 0 380.330 3.335 20 0 GGADRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC[NH2+]1 ZINC000414728146 565957822 /nfs/dbraw/zinc/95/78/22/565957822.db2.gz CDAFNUOYNACBSF-STQMWFEESA-N 2 0 376.854 3.264 20 0 GGADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC[NH2+]1 ZINC000414728139 565957882 /nfs/dbraw/zinc/95/78/82/565957882.db2.gz CDAFNUOYNACBSF-CHWSQXEVSA-N 2 0 376.854 3.264 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844390 565963818 /nfs/dbraw/zinc/96/38/18/565963818.db2.gz DQRQLWQQKIELSP-OAHLLOKOSA-N 2 0 385.346 3.344 20 0 GGADRP CC1(C[NH2+]Cc2c(F)ccc(I)c2F)CC[NH2+]CC1 ZINC000414909267 565964934 /nfs/dbraw/zinc/96/49/34/565964934.db2.gz RJPQFYLUZBCUIS-UHFFFAOYSA-N 2 0 380.220 3.049 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414913845 565965562 /nfs/dbraw/zinc/96/55/62/565965562.db2.gz XCWAHARPZQGIHF-UHFFFAOYSA-N 2 0 377.330 3.423 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414993063 565968100 /nfs/dbraw/zinc/96/81/00/565968100.db2.gz KZPZGKANUOUZEV-YOEHRIQHSA-N 2 0 385.346 3.472 20 0 GGADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415042933 565970948 /nfs/dbraw/zinc/97/09/48/565970948.db2.gz RMSFSRXOZVHROA-ONGXEEELSA-N 2 0 379.245 3.276 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415050294 565971880 /nfs/dbraw/zinc/97/18/80/565971880.db2.gz YKABSSOZYFDVNX-WMLDXEAASA-N 2 0 394.357 3.079 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415047778 565972099 /nfs/dbraw/zinc/97/20/99/565972099.db2.gz WCHVVQDWDNGDNG-GOEBONIOSA-N 2 0 377.330 3.469 20 0 GGADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086680 565973151 /nfs/dbraw/zinc/97/31/51/565973151.db2.gz SLUGWYBGACTMAT-IFXJQAMLSA-N 2 0 394.357 3.077 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000415127249 565975436 /nfs/dbraw/zinc/97/54/36/565975436.db2.gz QPWCWBXTESIVKG-MAUKXSAKSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000415127251 565975485 /nfs/dbraw/zinc/97/54/85/565975485.db2.gz QPWCWBXTESIVKG-YJBOKZPZSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000415124926 565975501 /nfs/dbraw/zinc/97/55/01/565975501.db2.gz KNENDHDFSSAVMF-SJLPKXTDSA-N 2 0 383.330 3.176 20 0 GGADRP CCOCCOc1ccc(Br)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415135435 565975613 /nfs/dbraw/zinc/97/56/13/565975613.db2.gz WRKZMYAYBDOQHM-ZBFHGGJFSA-N 2 0 385.346 3.281 20 0 GGADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000415131592 565976211 /nfs/dbraw/zinc/97/62/11/565976211.db2.gz ZRUWVIHVJGEYOW-MSOLQXFVSA-N 2 0 395.341 3.102 20 0 GGADRP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCSC1 ZINC000245865623 566008046 /nfs/dbraw/zinc/00/80/46/566008046.db2.gz LJFWHSMGPHUDCQ-MAUKXSAKSA-N 2 0 381.973 3.030 20 0 GGADRP Cc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000246214090 566021111 /nfs/dbraw/zinc/02/11/11/566021111.db2.gz YJSAWYBLXFSVOS-CABCVRRESA-N 2 0 382.346 3.358 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246212767 566021252 /nfs/dbraw/zinc/02/12/52/566021252.db2.gz NXPOOJFZZRWTHD-GDBMZVCRSA-N 2 0 375.340 3.397 20 0 GGADRP C[C@H](NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252164 566023682 /nfs/dbraw/zinc/02/36/82/566023682.db2.gz WJXFNYRHFGNOLG-HOTGVXAUSA-N 2 0 394.357 3.044 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180015549 566025415 /nfs/dbraw/zinc/02/54/15/566025415.db2.gz RZMCWEFAJAHDDE-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180093387 566031278 /nfs/dbraw/zinc/03/12/78/566031278.db2.gz IHOQUQGDGOSDEE-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180093368 566031531 /nfs/dbraw/zinc/03/15/31/566031531.db2.gz IHOQUQGDGOSDEE-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCOCC(F)(F)F)CC1 ZINC000180080999 566031584 /nfs/dbraw/zinc/03/15/84/566031584.db2.gz UQWHDSRZFQGRIK-UHFFFAOYSA-N 2 0 379.854 3.150 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180094812 566032551 /nfs/dbraw/zinc/03/25/51/566032551.db2.gz BPVXDSSNGFFZPT-LJQANCHMSA-N 2 0 380.374 3.300 20 0 GGADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246877612 566044659 /nfs/dbraw/zinc/04/46/59/566044659.db2.gz DGELEYPZDBHLCI-RVKKMQEKSA-N 2 0 377.330 3.287 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246944381 566047329 /nfs/dbraw/zinc/04/73/29/566047329.db2.gz HAKFAFODWFRRNW-XJKCOSOUSA-N 2 0 380.330 3.381 20 0 GGADRP COc1cc(Br)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247922483 566068622 /nfs/dbraw/zinc/06/86/22/566068622.db2.gz BIFKXCNFXSVJIB-CZUORRHYSA-N 2 0 383.330 3.382 20 0 GGADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(Br)c3)CC[C@H]21 ZINC000247979739 566069440 /nfs/dbraw/zinc/06/94/40/566069440.db2.gz MESOBNYSSFOSNI-WMLDXEAASA-N 2 0 380.330 3.194 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000247973887 566070101 /nfs/dbraw/zinc/07/01/01/566070101.db2.gz KFCYWEPURLXUAS-RHSMWYFYSA-N 2 0 380.330 3.194 20 0 GGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(Br)c1 ZINC000288530930 566077509 /nfs/dbraw/zinc/07/75/09/566077509.db2.gz KETZECRJKMGODC-UHFFFAOYSA-N 2 0 378.314 3.464 20 0 GGADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000288583956 566081366 /nfs/dbraw/zinc/08/13/66/566081366.db2.gz OACLFURGUDVJDA-UHFFFAOYSA-N 2 0 378.314 3.464 20 0 GGADRP CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180677611 566081697 /nfs/dbraw/zinc/08/16/97/566081697.db2.gz MNBZTCZMANIHAT-SFHVURJKSA-N 2 0 381.611 3.247 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365096896 566082419 /nfs/dbraw/zinc/08/24/19/566082419.db2.gz WZMGISIOKFSSLE-QAPCUYQASA-N 2 0 380.374 3.138 20 0 GGADRP C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620018 566083900 /nfs/dbraw/zinc/08/39/00/566083900.db2.gz ZYFDXMKHLRDCOG-JCKWVBRZSA-N 2 0 394.357 3.218 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829922 566092476 /nfs/dbraw/zinc/09/24/76/566092476.db2.gz QRMGUPHIGVOTFX-SQWLQELKSA-N 2 0 382.346 3.404 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180829082 566093115 /nfs/dbraw/zinc/09/31/15/566093115.db2.gz YYYZJLBSGQDHLL-JKSUJKDBSA-N 2 0 380.330 3.303 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241873 566099087 /nfs/dbraw/zinc/09/90/87/566099087.db2.gz DCLGPDUISPUEBW-QAPCUYQASA-N 2 0 394.357 3.218 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241877 566099589 /nfs/dbraw/zinc/09/95/89/566099589.db2.gz DCLGPDUISPUEBW-YJBOKZPZSA-N 2 0 394.357 3.218 20 0 GGADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3ncc(C4OCCO4)s3)CC2)c1 ZINC000289309807 566117750 /nfs/dbraw/zinc/11/77/50/566117750.db2.gz RWSIQOISNOGWSV-UHFFFAOYSA-N 2 0 379.551 3.252 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)c(Cl)s1 ZINC000289445822 566122648 /nfs/dbraw/zinc/12/26/48/566122648.db2.gz MOJVMMMCXMSJPS-UHFFFAOYSA-N 2 0 380.783 3.233 20 0 GGADRP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000261721079 566131103 /nfs/dbraw/zinc/13/11/03/566131103.db2.gz KDRDZEHMIVZIAZ-GLJUWKHASA-N 2 0 382.346 3.002 20 0 GGADRP CCCN(Cc1nc(-c2cccc(Br)c2)no1)C1CC[NH2+]CC1 ZINC000261762198 566133052 /nfs/dbraw/zinc/13/30/52/566133052.db2.gz QAUBIRIKNOOWFC-UHFFFAOYSA-N 2 0 379.302 3.463 20 0 GGADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261764006 566133808 /nfs/dbraw/zinc/13/38/08/566133808.db2.gz VZXDOGGXQPCSAS-RVKKMQEKSA-N 2 0 394.357 3.090 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000261969026 566141610 /nfs/dbraw/zinc/14/16/10/566141610.db2.gz YUBTZPRPTVIWQZ-BPLDGKMQSA-N 2 0 377.286 3.058 20 0 GGADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960186 566142071 /nfs/dbraw/zinc/14/20/71/566142071.db2.gz HDOOXDVBMZSCGQ-CQSZACIVSA-N 2 0 377.838 3.178 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181461265 566142337 /nfs/dbraw/zinc/14/23/37/566142337.db2.gz JQAVBEITQNWPGK-DNVCBOLYSA-N 2 0 398.389 3.380 20 0 GGADRP C[NH+](C)C1(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000261992941 566143491 /nfs/dbraw/zinc/14/34/91/566143491.db2.gz RUBXUWNFZAQPSZ-QGZVFWFLSA-N 2 0 382.346 3.004 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000181467236 566143616 /nfs/dbraw/zinc/14/36/16/566143616.db2.gz RCPUEYMEWDWQMH-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181500072 566144849 /nfs/dbraw/zinc/14/48/49/566144849.db2.gz OYPGZGATMFFQDG-HUUCEWRRSA-N 2 0 384.362 3.134 20 0 GGADRP [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000262062763 566145757 /nfs/dbraw/zinc/14/57/57/566145757.db2.gz WANVTMITVGNWGO-DOTOQJQBSA-N 2 0 388.309 3.204 20 0 GGADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074133 566145852 /nfs/dbraw/zinc/14/58/52/566145852.db2.gz SHKRBGPVIKAJEF-OAHLLOKOSA-N 2 0 377.838 3.178 20 0 GGADRP O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262045372 566145999 /nfs/dbraw/zinc/14/59/99/566145999.db2.gz YWZHVXOGWJSJCD-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592332 566180626 /nfs/dbraw/zinc/18/06/26/566180626.db2.gz GOGZAKTXQUNQLF-KSSFIOAISA-N 2 0 390.325 3.262 20 0 GGADRP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000290628192 566181725 /nfs/dbraw/zinc/18/17/25/566181725.db2.gz IWBLDFRSQGDSRI-QGZVFWFLSA-N 2 0 385.346 3.201 20 0 GGADRP CN(CC[N@H+](C)CCCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000182272666 566194411 /nfs/dbraw/zinc/19/44/11/566194411.db2.gz HCIZFXXKZVRIQW-UHFFFAOYSA-N 2 0 382.390 3.340 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c2cccnc12 ZINC000182290782 566195083 /nfs/dbraw/zinc/19/50/83/566195083.db2.gz MFQBOHNWABSZSV-UHFFFAOYSA-N 2 0 391.357 3.067 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418090118 566197847 /nfs/dbraw/zinc/19/78/47/566197847.db2.gz NEBCBSBJDOKPPH-GFCCVEGCSA-N 2 0 376.257 3.252 20 0 GGADRP CCC[N@H+](C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186112 566202445 /nfs/dbraw/zinc/20/24/45/566202445.db2.gz RNYMVCJLOFQEMX-CABCVRRESA-N 2 0 376.879 3.005 20 0 GGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186120 566202879 /nfs/dbraw/zinc/20/28/79/566202879.db2.gz RNYMVCJLOFQEMX-HUUCEWRRSA-N 2 0 376.879 3.005 20 0 GGADRP CN(CC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367601119 566208304 /nfs/dbraw/zinc/20/83/04/566208304.db2.gz DMLOAAHOMBMKAG-PBWFPOADSA-N 2 0 384.293 3.084 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH2+]C ZINC000418336327 566210500 /nfs/dbraw/zinc/21/05/00/566210500.db2.gz XAOKDIHRKNHPBK-UHFFFAOYSA-N 2 0 375.344 3.066 20 0 GGADRP C[NH2+]C[C@H](C)CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418382197 566211311 /nfs/dbraw/zinc/21/13/11/566211311.db2.gz IHECQSRQZYRYPR-AWEZNQCLSA-N 2 0 389.371 3.312 20 0 GGADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)CC1 ZINC000367686159 566212615 /nfs/dbraw/zinc/21/26/15/566212615.db2.gz LMIDPEGTCIOFPT-UHFFFAOYSA-N 2 0 376.595 3.331 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1C[NH2+]C1 ZINC000418490005 566214203 /nfs/dbraw/zinc/21/42/03/566214203.db2.gz POVVNZXZAITANH-UHFFFAOYSA-N 2 0 387.355 3.066 20 0 GGADRP C[C@H](CC[NH3+])NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418542127 566216489 /nfs/dbraw/zinc/21/64/89/566216489.db2.gz HIORNPHRMZUVDP-CYBMUJFWSA-N 2 0 375.344 3.194 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015208 566226320 /nfs/dbraw/zinc/22/63/20/566226320.db2.gz CBOYUADIVHLRMS-FHLIZLRMSA-N 2 0 383.330 3.141 20 0 GGADRP COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015209 566226532 /nfs/dbraw/zinc/22/65/32/566226532.db2.gz CBOYUADIVHLRMS-JCGIZDLHSA-N 2 0 383.330 3.141 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420297460 566271815 /nfs/dbraw/zinc/27/18/15/566271815.db2.gz FSNAXGFGGKEINO-HNNXBMFYSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420306023 566271890 /nfs/dbraw/zinc/27/18/90/566271890.db2.gz QJOTWOZCYUMUOQ-AWEZNQCLSA-N 2 0 380.330 3.099 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1OC ZINC000420343079 566273256 /nfs/dbraw/zinc/27/32/56/566273256.db2.gz YOYNPXBFBYAFQH-OAHLLOKOSA-N 2 0 383.330 3.430 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1 ZINC000420340518 566273510 /nfs/dbraw/zinc/27/35/10/566273510.db2.gz SGDORHPVAWOXEH-KRWDZBQOSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344968 566273750 /nfs/dbraw/zinc/27/37/50/566273750.db2.gz VHWVDFMILUXXME-GUYCJALGSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420330123 566273998 /nfs/dbraw/zinc/27/39/98/566273998.db2.gz ABYOXPZBEFINNH-GUYCJALGSA-N 2 0 380.330 3.240 20 0 GGADRP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387716 566275972 /nfs/dbraw/zinc/27/59/72/566275972.db2.gz WFUVLPSVSPPDHJ-IRXDYDNUSA-N 2 0 378.318 3.288 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000420389986 566276115 /nfs/dbraw/zinc/27/61/15/566276115.db2.gz MWDLKRSPDONPCR-SJLPKXTDSA-N 2 0 383.330 3.046 20 0 GGADRP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387718 566276967 /nfs/dbraw/zinc/27/69/67/566276967.db2.gz WFUVLPSVSPPDHJ-SJORKVTESA-N 2 0 378.318 3.288 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000648416155 566281351 /nfs/dbraw/zinc/28/13/51/566281351.db2.gz XTGNAUNCTDDZNX-UHFFFAOYSA-N 2 0 391.357 3.113 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221493 566290786 /nfs/dbraw/zinc/29/07/86/566290786.db2.gz AYIXLZJVFAAOGN-OLMNPRSZSA-N 2 0 392.341 3.119 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Br)c1 ZINC000669618844 566315068 /nfs/dbraw/zinc/31/50/68/566315068.db2.gz GGJAHGDULJNUMY-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)c1 ZINC000556602133 566316706 /nfs/dbraw/zinc/31/67/06/566316706.db2.gz QSEGKQJRBBVICG-UHFFFAOYSA-N 2 0 383.330 3.399 20 0 GGADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000462537361 566319079 /nfs/dbraw/zinc/31/90/79/566319079.db2.gz VEPLRNVYYPYIBB-GJZGRUSLSA-N 2 0 397.357 3.363 20 0 GGADRP Brc1cc2c(cc1C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)OCCCO2 ZINC000576227790 566327367 /nfs/dbraw/zinc/32/73/67/566327367.db2.gz IJDVMPIZGRWBKF-HNNXBMFYSA-N 2 0 395.341 3.432 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000482897386 566341033 /nfs/dbraw/zinc/34/10/33/566341033.db2.gz ZGEXFCJLSJTZQM-WMLDXEAASA-N 2 0 387.387 3.491 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000556952672 566350187 /nfs/dbraw/zinc/35/01/87/566350187.db2.gz ILYLZQBRGFGWTE-KOLCDFICSA-N 2 0 392.135 3.437 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536157084 566354852 /nfs/dbraw/zinc/35/48/52/566354852.db2.gz CODTVCSRUREDRY-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP CC(C)[NH+](CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C(C)C ZINC000576581676 566358721 /nfs/dbraw/zinc/35/87/21/566358721.db2.gz HEQKNRXPSAMCQQ-GOSISDBHSA-N 2 0 384.362 3.248 20 0 GGADRP CC(C)[NH+](CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(C)C ZINC000576581688 566359504 /nfs/dbraw/zinc/35/95/04/566359504.db2.gz HEQKNRXPSAMCQQ-SFHVURJKSA-N 2 0 384.362 3.248 20 0 GGADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cl)c1 ZINC000649308829 566361406 /nfs/dbraw/zinc/36/14/06/566361406.db2.gz AIWWITGAYVXVAP-KDOFPFPSSA-N 2 0 377.941 3.430 20 0 GGADRP CSC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CC[NH+](C)CC1 ZINC000576867296 566384397 /nfs/dbraw/zinc/38/43/97/566384397.db2.gz LFMFYKHPIOFPEK-UHFFFAOYSA-N 2 0 383.359 3.014 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000576856858 566384925 /nfs/dbraw/zinc/38/49/25/566384925.db2.gz OFKTYZFPGDJYSV-YOEHRIQHSA-N 2 0 387.337 3.202 20 0 GGADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000536692167 566394422 /nfs/dbraw/zinc/39/44/22/566394422.db2.gz AUUWRLUCCIGKBR-KRWDZBQOSA-N 2 0 395.345 3.030 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463415332 566408943 /nfs/dbraw/zinc/40/89/43/566408943.db2.gz PWSHTNCLUMMAEK-UHFFFAOYSA-N 2 0 382.390 3.340 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000537013792 566418431 /nfs/dbraw/zinc/41/84/31/566418431.db2.gz RHIADRTUPPBEMP-GBESFXJTSA-N 2 0 379.342 3.404 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1I ZINC000484305762 566424919 /nfs/dbraw/zinc/42/49/19/566424919.db2.gz IUEOSAVWGWXXJN-KBPBESRZSA-N 2 0 390.309 3.299 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577482005 566439354 /nfs/dbraw/zinc/43/93/54/566439354.db2.gz PVSSWIGGNXITIH-AFAVFJNCSA-N 2 0 380.330 3.144 20 0 GGADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422637618 566459204 /nfs/dbraw/zinc/45/92/04/566459204.db2.gz PCNQSYUNNQDVLS-AGIUHOORSA-N 2 0 386.309 3.222 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736281 566462094 /nfs/dbraw/zinc/46/20/94/566462094.db2.gz VUENEEZIZOESBS-CRFBAAHOSA-N 2 0 386.367 3.300 20 0 GGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422799527 566463031 /nfs/dbraw/zinc/46/30/31/566463031.db2.gz XCUKQZUAZYOVLE-GVDBMIGSSA-N 2 0 377.579 3.469 20 0 GGADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422758723 566463284 /nfs/dbraw/zinc/46/32/84/566463284.db2.gz JWLIKQVRUJRYKQ-ZDUSSCGKSA-N 2 0 391.375 3.109 20 0 GGADRP Brc1cccc(OCCSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422714446 566463425 /nfs/dbraw/zinc/46/34/25/566463425.db2.gz RCEKBOPWNALPSP-XYPWUTKMSA-N 2 0 385.371 3.434 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000422903106 566464519 /nfs/dbraw/zinc/46/45/19/566464519.db2.gz ODYFEUBGKYKKFD-LBPRGKRZSA-N 2 0 381.929 3.361 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000422882363 566464870 /nfs/dbraw/zinc/46/48/70/566464870.db2.gz SCBLCEOFPNRYBO-QZTJIDSGSA-N 2 0 388.309 3.303 20 0 GGADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895425 566465303 /nfs/dbraw/zinc/46/53/03/566465303.db2.gz VYYZYIXCBBKROJ-DNVCBOLYSA-N 2 0 380.374 3.391 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880870 566465491 /nfs/dbraw/zinc/46/54/91/566465491.db2.gz PDMITSYPORHSNZ-JOQOYGCGSA-N 2 0 387.351 3.384 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422914021 566465571 /nfs/dbraw/zinc/46/55/71/566465571.db2.gz ZUSHXIRMADLKGE-DLBZAZTESA-N 2 0 382.346 3.047 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000422930556 566465771 /nfs/dbraw/zinc/46/57/71/566465771.db2.gz UZBLVVZCFIKNAH-HUUCEWRRSA-N 2 0 397.357 3.291 20 0 GGADRP Brc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422933913 566466343 /nfs/dbraw/zinc/46/63/43/566466343.db2.gz IWGYPCIJIRPIPS-CWRNSKLLSA-N 2 0 381.314 3.231 20 0 GGADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945592 566466978 /nfs/dbraw/zinc/46/69/78/566466978.db2.gz VBSRSQYLHZXQIS-MXSMSXNCSA-N 2 0 397.357 3.089 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000423040269 566470714 /nfs/dbraw/zinc/47/07/14/566470714.db2.gz SWPOLSVGSGEATM-KZNAEPCWSA-N 2 0 391.357 3.458 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000423054368 566471140 /nfs/dbraw/zinc/47/11/40/566471140.db2.gz UQIXXWGEPALJSR-LLVKDONJSA-N 2 0 376.298 3.397 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc(Br)c1 ZINC000577850884 566471388 /nfs/dbraw/zinc/47/13/88/566471388.db2.gz RCMIUISSGHZYLI-OAHLLOKOSA-N 2 0 380.330 3.099 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000423040268 566471807 /nfs/dbraw/zinc/47/18/07/566471807.db2.gz SWPOLSVGSGEATM-KURKYZTESA-N 2 0 391.357 3.458 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070696 566472458 /nfs/dbraw/zinc/47/24/58/566472458.db2.gz DFCBTOLMWOQPOZ-RGIVZKHGSA-N 2 0 381.358 3.110 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423078962 566472626 /nfs/dbraw/zinc/47/26/26/566472626.db2.gz WXVVFOLJOHLVOZ-ZAAXVRCTSA-N 2 0 391.353 3.148 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423073646 566472719 /nfs/dbraw/zinc/47/27/19/566472719.db2.gz JMXBUJMVFYSMTN-BBRMVZONSA-N 2 0 392.341 3.113 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077998 566473292 /nfs/dbraw/zinc/47/32/92/566473292.db2.gz VACMXOMCCKWPMY-BBRMVZONSA-N 2 0 392.341 3.113 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423070327 566473308 /nfs/dbraw/zinc/47/33/08/566473308.db2.gz COVVBDLQPLPYSL-KNBMTAEXSA-N 2 0 391.353 3.148 20 0 GGADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423075371 566473417 /nfs/dbraw/zinc/47/34/17/566473417.db2.gz OKDCYULGRVOGBO-QSFXBCCZSA-N 2 0 391.353 3.148 20 0 GGADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074138 566473441 /nfs/dbraw/zinc/47/34/41/566473441.db2.gz UBWYXTREKLSCAS-BURFUSLBSA-N 2 0 384.351 3.319 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000650764187 566475488 /nfs/dbraw/zinc/47/54/88/566475488.db2.gz SBAZQPRYTZRSQP-ZDUSSCGKSA-N 2 0 392.345 3.379 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000423130208 566477153 /nfs/dbraw/zinc/47/71/53/566477153.db2.gz MVTLZLMXGQZWIC-JKIFEVAISA-N 2 0 385.346 3.249 20 0 GGADRP Brc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423144328 566478686 /nfs/dbraw/zinc/47/86/86/566478686.db2.gz YQPZQAOLEVMNHF-RXABAKJHSA-N 2 0 379.342 3.442 20 0 GGADRP Brc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423144321 566478742 /nfs/dbraw/zinc/47/87/42/566478742.db2.gz YQPZQAOLEVMNHF-GPFWEFOESA-N 2 0 379.342 3.442 20 0 GGADRP Brc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423144330 566478922 /nfs/dbraw/zinc/47/89/22/566478922.db2.gz YQPZQAOLEVMNHF-WSIUPNEHSA-N 2 0 379.342 3.442 20 0 GGADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423146730 566479188 /nfs/dbraw/zinc/47/91/88/566479188.db2.gz QEKCNHAXFNNOGP-ZDUSSCGKSA-N 2 0 381.929 3.017 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000423164517 566479974 /nfs/dbraw/zinc/47/99/74/566479974.db2.gz SSGRAQLRWZMEOU-UPRAQXHNSA-N 2 0 393.300 3.474 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165708 566480356 /nfs/dbraw/zinc/48/03/56/566480356.db2.gz URIDPXQEZCOEHO-UONJOCPKSA-N 2 0 399.348 3.250 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423161062 566480509 /nfs/dbraw/zinc/48/05/09/566480509.db2.gz NDPRVNOVBSHPBB-LWCVALJOSA-N 2 0 395.385 3.419 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178837 566480545 /nfs/dbraw/zinc/48/05/45/566480545.db2.gz ISXHEOOHYABTCG-HNAYVOBHSA-N 2 0 380.374 3.391 20 0 GGADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000423164516 566480956 /nfs/dbraw/zinc/48/09/56/566480956.db2.gz SSGRAQLRWZMEOU-MJXNMMHHSA-N 2 0 393.300 3.474 20 0 GGADRP Clc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCN2CC[NH2+]CC2)CCC3)cc1 ZINC000423211129 566481793 /nfs/dbraw/zinc/48/17/93/566481793.db2.gz YBOPHOGIJRJHAB-MRXNPFEDSA-N 2 0 376.957 3.336 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423214264 566482176 /nfs/dbraw/zinc/48/21/76/566482176.db2.gz ONKZUKIVNNOQSG-SWLSCSKDSA-N 2 0 386.277 3.094 20 0 GGADRP Fc1cccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000423201182 566482246 /nfs/dbraw/zinc/48/22/46/566482246.db2.gz HVVQDXVACMZYAE-IBGZPJMESA-N 2 0 392.316 3.172 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423191006 566482540 /nfs/dbraw/zinc/48/25/40/566482540.db2.gz TZNXLDDMRPZFFJ-GUYCJALGSA-N 2 0 384.387 3.117 20 0 GGADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000423206372 566482757 /nfs/dbraw/zinc/48/27/57/566482757.db2.gz BWQUWMQAINTVBE-QGLTVNCISA-N 2 0 378.318 3.259 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423214260 566482792 /nfs/dbraw/zinc/48/27/92/566482792.db2.gz ONKZUKIVNNOQSG-DOMZBBRYSA-N 2 0 386.277 3.094 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423212344 566482835 /nfs/dbraw/zinc/48/28/35/566482835.db2.gz IFIARVKJKANZCM-GVXVVHGQSA-N 2 0 376.257 3.469 20 0 GGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(I)c1 ZINC000423280295 566484856 /nfs/dbraw/zinc/48/48/56/566484856.db2.gz UJTCXDQTWLTGLQ-NEPJUHHUSA-N 2 0 376.257 3.471 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392849 566485638 /nfs/dbraw/zinc/48/56/38/566485638.db2.gz QUIMAPGLCRAIJQ-QMTHXVAHSA-N 2 0 398.242 3.075 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000423395048 566486205 /nfs/dbraw/zinc/48/62/05/566486205.db2.gz ROZYYRXWLWVAPT-UMVBOHGHSA-N 2 0 386.277 3.364 20 0 GGADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1F ZINC000423379204 566486506 /nfs/dbraw/zinc/48/65/06/566486506.db2.gz GKOYISFUCHOTCM-YGRLFVJLSA-N 2 0 398.242 3.075 20 0 GGADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404210 566488915 /nfs/dbraw/zinc/48/89/15/566488915.db2.gz ZMNZRTJWRHMCLN-DGCLKSJQSA-N 2 0 378.508 3.236 20 0 GGADRP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423446380 566489099 /nfs/dbraw/zinc/48/90/99/566489099.db2.gz CNKQXUMRBWPWHW-LMMKCTJWSA-N 2 0 394.357 3.137 20 0 GGADRP Brc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423446612 566489682 /nfs/dbraw/zinc/48/96/82/566489682.db2.gz SUOQNFPIVVZBOJ-OTWHNJEPSA-N 2 0 387.325 3.306 20 0 GGADRP Brc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cncnc2)cc1 ZINC000423446611 566489933 /nfs/dbraw/zinc/48/99/33/566489933.db2.gz SUOQNFPIVVZBOJ-IPMKNSEASA-N 2 0 387.325 3.306 20 0 GGADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(I)c1 ZINC000423544786 566492801 /nfs/dbraw/zinc/49/28/01/566492801.db2.gz IXZMWDBBZJZSDQ-SCUASFONSA-N 2 0 388.268 3.469 20 0 GGADRP N[C@@H](C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000423792342 566494646 /nfs/dbraw/zinc/49/46/46/566494646.db2.gz BOGRRXBXVMAISP-MRXNPFEDSA-N 2 0 399.347 3.231 20 0 GGADRP Ic1cnc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000511995825 566503147 /nfs/dbraw/zinc/50/31/47/566503147.db2.gz CVBZZKHGFYVYPW-UHFFFAOYSA-N 2 0 393.338 3.494 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000512041142 566508437 /nfs/dbraw/zinc/50/84/37/566508437.db2.gz SKGMJUXYPCEKCF-HUUCEWRRSA-N 2 0 385.346 3.437 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(I)s1 ZINC000512144341 566516932 /nfs/dbraw/zinc/51/69/32/566516932.db2.gz JVLBUADYOQZFKL-LBPRGKRZSA-N 2 0 393.338 3.492 20 0 GGADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000538589266 566520985 /nfs/dbraw/zinc/52/09/85/566520985.db2.gz HSJHIMXZAPNVER-HOCLYGCPSA-N 2 0 379.957 3.341 20 0 GGADRP C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000651460818 566522547 /nfs/dbraw/zinc/52/25/47/566522547.db2.gz FBGPPNDRUWUVOP-UONOGXRCSA-N 2 0 387.337 3.059 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460500 566523042 /nfs/dbraw/zinc/52/30/42/566523042.db2.gz PXBQAFJNITXXTD-RDJZCZTQSA-N 2 0 383.374 3.228 20 0 GGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651466840 566524179 /nfs/dbraw/zinc/52/41/79/566524179.db2.gz YNDHEUJMRBYPFE-JKSUJKDBSA-N 2 0 383.374 3.228 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1Br)CC[NH2+]CC2 ZINC000424283137 566524951 /nfs/dbraw/zinc/52/49/51/566524951.db2.gz AVIQPQDZNNHFKL-AWEZNQCLSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000651466724 566524939 /nfs/dbraw/zinc/52/49/39/566524939.db2.gz JISKDJKKJKLMQV-HIFRSBDPSA-N 2 0 387.337 3.059 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424288668 566525266 /nfs/dbraw/zinc/52/52/66/566525266.db2.gz KXHKWWXWZMWTTH-AWEZNQCLSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424289079 566525460 /nfs/dbraw/zinc/52/54/60/566525460.db2.gz LKFYUTKAUJWKOL-CYBMUJFWSA-N 2 0 398.320 3.381 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424288030 566525497 /nfs/dbraw/zinc/52/54/97/566525497.db2.gz JSBMAGMPENMIMF-CQSZACIVSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301175 566526652 /nfs/dbraw/zinc/52/66/52/566526652.db2.gz XJKIJVBDXNFNSP-GJZGRUSLSA-N 2 0 394.357 3.090 20 0 GGADRP Cc1cc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424292923 566527158 /nfs/dbraw/zinc/52/71/58/566527158.db2.gz OVJFQJWVOHHPMP-CQSZACIVSA-N 2 0 380.330 3.160 20 0 GGADRP Cc1cc(Br)c(CNCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000449090611 566527407 /nfs/dbraw/zinc/52/74/07/566527407.db2.gz HIFQFTJXPAUXGO-UHFFFAOYSA-N 2 0 375.738 3.347 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449079968 566528122 /nfs/dbraw/zinc/52/81/22/566528122.db2.gz RORRTOUOSNJDGL-OAHLLOKOSA-N 2 0 391.357 3.113 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000449107389 566529808 /nfs/dbraw/zinc/52/98/08/566529808.db2.gz MESANSKTQKCWOD-UHFFFAOYSA-N 2 0 384.337 3.236 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424368969 566530169 /nfs/dbraw/zinc/53/01/69/566530169.db2.gz AZBJIAANYPTJBF-CYBMUJFWSA-N 2 0 381.314 3.184 20 0 GGADRP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000449133659 566531281 /nfs/dbraw/zinc/53/12/81/566531281.db2.gz ZJIUQTMYTYRRPG-UQPPLGOBSA-N 2 0 398.364 3.307 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449151909 566533821 /nfs/dbraw/zinc/53/38/21/566533821.db2.gz YXPFKOXUTHXHIB-MRXNPFEDSA-N 2 0 392.341 3.324 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449218385 566537837 /nfs/dbraw/zinc/53/78/37/566537837.db2.gz HURAZMZBIUYNSS-UHFFFAOYSA-N 2 0 391.357 3.115 20 0 GGADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449233890 566539401 /nfs/dbraw/zinc/53/94/01/566539401.db2.gz NVAOJQLHWXTSJH-LJQANCHMSA-N 2 0 393.300 3.445 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449226753 566539662 /nfs/dbraw/zinc/53/96/62/566539662.db2.gz YGAHTHZKAVQRCG-OAHLLOKOSA-N 2 0 380.330 3.444 20 0 GGADRP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC12CCOCC2 ZINC000578632275 566540121 /nfs/dbraw/zinc/54/01/21/566540121.db2.gz PWIBWSDKGJHWDH-INIZCTEOSA-N 2 0 390.325 3.185 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC12CCOCC2 ZINC000578632276 566540513 /nfs/dbraw/zinc/54/05/13/566540513.db2.gz PWIBWSDKGJHWDH-MRXNPFEDSA-N 2 0 390.325 3.185 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538867014 566541901 /nfs/dbraw/zinc/54/19/01/566541901.db2.gz MCZSCWXVKFNDCA-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C)c(Br)cn1 ZINC000628278593 566542586 /nfs/dbraw/zinc/54/25/86/566542586.db2.gz XUEXCAXGIQCYNP-KRWDZBQOSA-N 2 0 383.378 3.000 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000673599837 566545668 /nfs/dbraw/zinc/54/56/68/566545668.db2.gz PPGDDMIYFHPMMH-AWEZNQCLSA-N 2 0 386.353 3.135 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000538915870 566548340 /nfs/dbraw/zinc/54/83/40/566548340.db2.gz ZQLNGLGRBFZRBB-UHFFFAOYSA-N 2 0 395.400 3.470 20 0 GGADRP CSC1(C[NH2+]Cc2ccc(I)cc2)CC[NH+](C)CC1 ZINC000449334177 566550351 /nfs/dbraw/zinc/55/03/51/566550351.db2.gz INRUNXAYIFGMAB-UHFFFAOYSA-N 2 0 390.334 3.208 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000486063290 566553131 /nfs/dbraw/zinc/55/31/31/566553131.db2.gz OATXZYUUOCNTCS-UHFFFAOYSA-N 2 0 396.373 3.071 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596718 566578733 /nfs/dbraw/zinc/57/87/33/566578733.db2.gz CFXMEQNLNMKVNM-GLJUWKHASA-N 2 0 387.337 3.059 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596717 566579071 /nfs/dbraw/zinc/57/90/71/566579071.db2.gz CFXMEQNLNMKVNM-DEYYWGMASA-N 2 0 387.337 3.059 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000449599169 566580310 /nfs/dbraw/zinc/58/03/10/566580310.db2.gz KDBPTNQEQPNNID-IEZWGBDMSA-N 2 0 383.374 3.228 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599467 566580750 /nfs/dbraw/zinc/58/07/50/566580750.db2.gz LASMTYSNJYIACB-OKZBNKHCSA-N 2 0 381.358 3.125 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000449599168 566580854 /nfs/dbraw/zinc/58/08/54/566580854.db2.gz KDBPTNQEQPNNID-AYBZRNKSSA-N 2 0 383.374 3.228 20 0 GGADRP Cc1ccc(C[C@@H](CO)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000449598918 566580862 /nfs/dbraw/zinc/58/08/62/566580862.db2.gz JMUUMFQLVGHFQJ-QGZVFWFLSA-N 2 0 383.374 3.371 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000449686744 566592746 /nfs/dbraw/zinc/59/27/46/566592746.db2.gz XZXVMODQRFUWTL-QOKNQOGYSA-N 2 0 383.374 3.228 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686448 566593118 /nfs/dbraw/zinc/59/31/18/566593118.db2.gz WYYYNARGHHQNQV-HNNXBMFYSA-N 2 0 387.337 3.202 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)C1 ZINC000652345755 566602992 /nfs/dbraw/zinc/60/29/92/566602992.db2.gz LCURQVWBZDVJMU-WOSRLPQWSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000652345981 566603764 /nfs/dbraw/zinc/60/37/64/566603764.db2.gz QKMNAKALSVENQR-LESCRADOSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000652346156 566603872 /nfs/dbraw/zinc/60/38/72/566603872.db2.gz UYOJLRQIGSEZRG-DXCKQFNASA-N 2 0 386.323 3.150 20 0 GGADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652353992 566605679 /nfs/dbraw/zinc/60/56/79/566605679.db2.gz KARKIISMXPDGRG-BLLLJJGKSA-N 2 0 386.309 3.366 20 0 GGADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000579651984 566627763 /nfs/dbraw/zinc/62/77/63/566627763.db2.gz LTNXVHACBRQQRP-BEFAXECRSA-N 2 0 398.389 3.380 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000579834382 566643145 /nfs/dbraw/zinc/64/31/45/566643145.db2.gz RURYSOJFMICZFA-HNNXBMFYSA-N 2 0 380.330 3.099 20 0 GGADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540416452 566650125 /nfs/dbraw/zinc/65/01/25/566650125.db2.gz NLZOOPRKHBPEGK-BLLLJJGKSA-N 2 0 385.371 3.278 20 0 GGADRP C[C@@H](C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)N1CC[NH+](C)CC1 ZINC000540416830 566650329 /nfs/dbraw/zinc/65/03/29/566650329.db2.gz GEULJEIORJNDJB-QWQRMKEZSA-N 2 0 398.414 3.458 20 0 GGADRP C[C@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC[NH+](C)CC1 ZINC000675738791 566662188 /nfs/dbraw/zinc/66/21/88/566662188.db2.gz MZSXYTWKYRBXMB-JTQLQIEISA-N 2 0 375.826 3.221 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629520504 566662964 /nfs/dbraw/zinc/66/29/64/566662964.db2.gz MHQULLSFVQODMO-QGZVFWFLSA-N 2 0 380.330 3.024 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000629533460 566663420 /nfs/dbraw/zinc/66/34/20/566663420.db2.gz AXOLIJWRZPJJHU-FUHWJXTLSA-N 2 0 392.341 3.166 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000580087759 566664529 /nfs/dbraw/zinc/66/45/29/566664529.db2.gz ABOUXRJYOMVQSP-IAGOWNOFSA-N 2 0 381.358 3.133 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533131 566664816 /nfs/dbraw/zinc/66/48/16/566664816.db2.gz ITYGZQYMNVTZNB-MPGHIAIKSA-N 2 0 392.341 3.024 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000580087760 566665165 /nfs/dbraw/zinc/66/51/65/566665165.db2.gz ABOUXRJYOMVQSP-IRXDYDNUSA-N 2 0 381.358 3.133 20 0 GGADRP O[C@H](C[NH2+]CCCCSc1ccccc1Br)C[NH+]1CCCC1 ZINC000629564962 566665884 /nfs/dbraw/zinc/66/58/84/566665884.db2.gz MTXNGPJKXVEHDO-OAHLLOKOSA-N 2 0 387.387 3.368 20 0 GGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567686 566666463 /nfs/dbraw/zinc/66/64/63/566666463.db2.gz PYXWAAPQTBSQIV-OLZOCXBDSA-N 2 0 375.460 3.196 20 0 GGADRP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000580121544 566666785 /nfs/dbraw/zinc/66/67/85/566666785.db2.gz QWWZFHYOKHCJQT-CQSZACIVSA-N 2 0 389.371 3.136 20 0 GGADRP O[C@H](C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1)C[NH+]1CCCC1 ZINC000629579162 566668032 /nfs/dbraw/zinc/66/80/32/566668032.db2.gz APWNMORZTIRZET-CQSZACIVSA-N 2 0 387.749 3.180 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000580259424 566677965 /nfs/dbraw/zinc/67/79/65/566677965.db2.gz HRFLNHYBMMKMKK-UHFFFAOYSA-N 2 0 384.351 3.339 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000514932703 566680425 /nfs/dbraw/zinc/68/04/25/566680425.db2.gz KNKJBKNUZZYGIO-GOEBONIOSA-N 2 0 375.340 3.301 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312398 566682809 /nfs/dbraw/zinc/68/28/09/566682809.db2.gz MQBRBVCHPRUNOL-UONOGXRCSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312399 566683121 /nfs/dbraw/zinc/68/31/21/566683121.db2.gz MQBRBVCHPRUNOL-ZIAGYGMSSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061149 566689903 /nfs/dbraw/zinc/68/99/03/566689903.db2.gz TXHXVEFOWSQLPO-IRXDYDNUSA-N 2 0 389.341 3.456 20 0 GGADRP C[N@H+](CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000629972157 566695380 /nfs/dbraw/zinc/69/53/80/566695380.db2.gz SUKVRDXTXGFEKP-UHFFFAOYSA-N 2 0 394.357 3.014 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223565 566704554 /nfs/dbraw/zinc/70/45/54/566704554.db2.gz MLBJERZTENOTLX-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000580646597 566711538 /nfs/dbraw/zinc/71/15/38/566711538.db2.gz OBAMGVWUEGNACY-HRCADAONSA-N 2 0 394.357 3.406 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000580646599 566711631 /nfs/dbraw/zinc/71/16/31/566711631.db2.gz OBAMGVWUEGNACY-XHSDSOJGSA-N 2 0 394.357 3.406 20 0 GGADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000515594035 566722103 /nfs/dbraw/zinc/72/21/03/566722103.db2.gz DDKLTLTVSUQMTO-MRXNPFEDSA-N 2 0 399.348 3.203 20 0 GGADRP CC[NH+](CC)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426785033 566729000 /nfs/dbraw/zinc/72/90/00/566729000.db2.gz VCOISKLPJDNFII-UHFFFAOYSA-N 2 0 396.373 3.214 20 0 GGADRP CCC[N@H+](C)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426781113 566729525 /nfs/dbraw/zinc/72/95/25/566729525.db2.gz YLUZJTOOGRDELX-UHFFFAOYSA-N 2 0 396.373 3.214 20 0 GGADRP Brc1cc2c(cc1C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000581192291 566757520 /nfs/dbraw/zinc/75/75/20/566757520.db2.gz NCQSSQAXHOPKFE-AWEZNQCLSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000516469849 566764036 /nfs/dbraw/zinc/76/40/36/566764036.db2.gz XJNKBPBHYMDECN-GJZGRUSLSA-N 2 0 391.313 3.321 20 0 GGADRP CSC1(C[NH2+]Cc2cccc(I)c2)CC[NH+](C)CC1 ZINC000562083493 566763960 /nfs/dbraw/zinc/76/39/60/566763960.db2.gz XIDSGGWCJSUAPO-UHFFFAOYSA-N 2 0 390.334 3.208 20 0 GGADRP C[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801616 566764383 /nfs/dbraw/zinc/76/43/83/566764383.db2.gz XOWAZFMFCSJKIY-GOSISDBHSA-N 2 0 384.337 3.189 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000581364944 566772065 /nfs/dbraw/zinc/77/20/65/566772065.db2.gz URZJNJLFKXJIGU-WMZOPIPTSA-N 2 0 399.373 3.291 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542150718 566778033 /nfs/dbraw/zinc/77/80/33/566778033.db2.gz GQZIIYFNJXHYBL-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP CCC[N@H+](C)[C@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000581445460 566778833 /nfs/dbraw/zinc/77/88/33/566778833.db2.gz BOEXFMNLCYETKJ-QZTJIDSGSA-N 2 0 383.989 3.276 20 0 GGADRP CC[C@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079715 566780384 /nfs/dbraw/zinc/78/03/84/566780384.db2.gz AOULZSZLODITGE-MSOLQXFVSA-N 2 0 394.357 3.314 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000562313210 566780617 /nfs/dbraw/zinc/78/06/17/566780617.db2.gz GPTFVLGNYUPXQS-UHFFFAOYSA-N 2 0 380.783 3.281 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581607449 566793147 /nfs/dbraw/zinc/79/31/47/566793147.db2.gz DBOOAQUKZGXPGB-CYBMUJFWSA-N 2 0 376.298 3.415 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684635 566811701 /nfs/dbraw/zinc/81/17/01/566811701.db2.gz ASEWKZSQLPIPJZ-LIRRHRJNSA-N 2 0 378.358 3.195 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000542693287 566818114 /nfs/dbraw/zinc/81/81/14/566818114.db2.gz QUMMNGXBJGWJAO-UHFFFAOYSA-N 2 0 383.330 3.173 20 0 GGADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(Br)c1OC(F)F ZINC000469852666 566820638 /nfs/dbraw/zinc/82/06/38/566820638.db2.gz PRWGBRJLNJPZQT-UHFFFAOYSA-N 2 0 381.261 3.476 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000469874319 566824086 /nfs/dbraw/zinc/82/40/86/566824086.db2.gz QCCLHHDHXVJHSC-VHSSKADRSA-N 2 0 375.314 3.112 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000470004146 566836359 /nfs/dbraw/zinc/83/63/59/566836359.db2.gz WFVIKMLCIGUQEY-CQSZACIVSA-N 2 0 385.346 3.424 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655711163 566838978 /nfs/dbraw/zinc/83/89/78/566838978.db2.gz FVZBAJRICZWOMI-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679218093 566842051 /nfs/dbraw/zinc/84/20/51/566842051.db2.gz JRVOWLUKUGZMOR-LJQANCHMSA-N 2 0 380.374 3.358 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000562993273 566842579 /nfs/dbraw/zinc/84/25/79/566842579.db2.gz CNQWNNZTNWELKM-KRWDZBQOSA-N 2 0 385.346 3.043 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000543080380 566850705 /nfs/dbraw/zinc/85/07/05/566850705.db2.gz WXSNOWRHSIINEL-HNAYVOBHSA-N 2 0 380.374 3.300 20 0 GGADRP C[C@@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)CN1CC[NH+](C)CC1 ZINC000543080381 566850728 /nfs/dbraw/zinc/85/07/28/566850728.db2.gz WXSNOWRHSIINEL-KXBFYZLASA-N 2 0 380.374 3.300 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079134 566851182 /nfs/dbraw/zinc/85/11/82/566851182.db2.gz CMZUIWALRBCXEP-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079133 566851360 /nfs/dbraw/zinc/85/13/60/566851360.db2.gz CMZUIWALRBCXEP-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP Brc1ccccc1CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000543141353 566855529 /nfs/dbraw/zinc/85/55/29/566855529.db2.gz ZQEMDSNIIBNVCL-UHFFFAOYSA-N 2 0 381.358 3.426 20 0 GGADRP Clc1cccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nn2)c1Cl ZINC000563136286 566857815 /nfs/dbraw/zinc/85/78/15/566857815.db2.gz XEBGOCLXIYUVTO-KGLIPLIRSA-N 2 0 380.323 3.396 20 0 GGADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000563155022 566859471 /nfs/dbraw/zinc/85/94/71/566859471.db2.gz XYCKYNRIRKXCLJ-QWQRMKEZSA-N 2 0 382.335 3.420 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563149461 566859996 /nfs/dbraw/zinc/85/99/96/566859996.db2.gz BCYMGUWIIPVOCY-MRXNPFEDSA-N 2 0 384.351 3.273 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000582443060 566863677 /nfs/dbraw/zinc/86/36/77/566863677.db2.gz XQDFURUOZJMQAZ-CQSZACIVSA-N 2 0 386.353 3.135 20 0 GGADRP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccc(Br)cc1 ZINC000518171238 566868750 /nfs/dbraw/zinc/86/87/50/566868750.db2.gz TYVVBYWPFLHSRV-UHFFFAOYSA-N 2 0 380.330 3.384 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000582527169 566870450 /nfs/dbraw/zinc/87/04/50/566870450.db2.gz FXSLVKWZSOIYQX-UHFFFAOYSA-N 2 0 391.357 3.115 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000518262587 566873599 /nfs/dbraw/zinc/87/35/99/566873599.db2.gz PIGHZNXAUKOEFJ-LBPRGKRZSA-N 2 0 394.279 3.193 20 0 GGADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000563325271 566876474 /nfs/dbraw/zinc/87/64/74/566876474.db2.gz RAZCQMACEICPIC-HNNXBMFYSA-N 2 0 377.330 3.261 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cncc(Br)c1 ZINC000518566016 566892098 /nfs/dbraw/zinc/89/20/98/566892098.db2.gz WLHJOUAYGYVIDD-IFXJQAMLSA-N 2 0 390.325 3.262 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680469364 566910320 /nfs/dbraw/zinc/91/03/20/566910320.db2.gz DPUIQCFALNSDKB-AWEZNQCLSA-N 2 0 379.346 3.268 20 0 GGADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000470958588 566919050 /nfs/dbraw/zinc/91/90/50/566919050.db2.gz LAQCUGHINVUINY-MRXNPFEDSA-N 2 0 394.357 3.441 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000544010927 566927767 /nfs/dbraw/zinc/92/77/67/566927767.db2.gz IPPKNNGTCRVDDA-KSSFIOAISA-N 2 0 394.357 3.004 20 0 GGADRP O=S(=O)(CC[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000583199029 566928426 /nfs/dbraw/zinc/92/84/26/566928426.db2.gz VKQPHNCBFXTCHW-KRWDZBQOSA-N 2 0 378.563 3.024 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493843539 566955827 /nfs/dbraw/zinc/95/58/27/566955827.db2.gz LKVZZNHRXYBIHP-SFHVURJKSA-N 2 0 380.374 3.362 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000493818070 566956988 /nfs/dbraw/zinc/95/69/88/566956988.db2.gz LOVNUAXXSIGSKR-KSSFIOAISA-N 2 0 380.374 3.218 20 0 GGADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000493891255 566959024 /nfs/dbraw/zinc/95/90/24/566959024.db2.gz LHUBWYHDVMMFAP-NKELODKYSA-N 2 0 381.358 3.378 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493917433 566960646 /nfs/dbraw/zinc/96/06/46/566960646.db2.gz RCLGDPGLROYCNC-QAPCUYQASA-N 2 0 380.374 3.360 20 0 GGADRP Cn1ccnc1[C@@H]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318702 566963505 /nfs/dbraw/zinc/96/35/05/566963505.db2.gz FLTFGDKIGPMLEZ-GFCCVEGCSA-N 2 0 377.279 3.297 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000564329426 566965162 /nfs/dbraw/zinc/96/51/62/566965162.db2.gz GRAKBFILXRZJNI-UONOGXRCSA-N 2 0 398.320 3.238 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000471608650 566965407 /nfs/dbraw/zinc/96/54/07/566965407.db2.gz DUSYKPGEYDSTOP-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000564489246 566979852 /nfs/dbraw/zinc/97/98/52/566979852.db2.gz WGOHXZVOLNDFKL-LSDHHAIUSA-N 2 0 386.353 3.135 20 0 GGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000564565219 566987732 /nfs/dbraw/zinc/98/77/32/566987732.db2.gz SMTDOGLRWWJJRP-GOSISDBHSA-N 2 0 393.325 3.040 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000583935227 566996233 /nfs/dbraw/zinc/99/62/33/566996233.db2.gz YHOXWXOPCDAUAV-AWEZNQCLSA-N 2 0 398.320 3.238 20 0 GGADRP Brc1ccc([C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@@H]2CCCO2)cc1 ZINC000681743991 567002888 /nfs/dbraw/zinc/00/28/88/567002888.db2.gz ZBKBVMZWBKCZNE-RYRKJORJSA-N 2 0 376.298 3.470 20 0 GGADRP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564799071 567009856 /nfs/dbraw/zinc/00/98/56/567009856.db2.gz HXBAECFBIXGMDZ-UKRRQHHQSA-N 2 0 380.330 3.098 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000564892500 567018335 /nfs/dbraw/zinc/01/83/35/567018335.db2.gz YZTSKKVWVJCHLL-KSSFIOAISA-N 2 0 382.346 3.004 20 0 GGADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430598481 567025257 /nfs/dbraw/zinc/02/52/57/567025257.db2.gz OKROCLMMWKOYEZ-OAHLLOKOSA-N 2 0 396.373 3.118 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000520799508 567026011 /nfs/dbraw/zinc/02/60/11/567026011.db2.gz LPTCFMGRAXMNHH-AWEZNQCLSA-N 2 0 393.380 3.150 20 0 GGADRP C[NH+](C)CC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000613325061 567031711 /nfs/dbraw/zinc/03/17/11/567031711.db2.gz PWPDGCJWPYCWFW-UHFFFAOYSA-N 2 0 377.941 3.274 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345857 567034968 /nfs/dbraw/zinc/03/49/68/567034968.db2.gz FINJZPULZNBDST-GOEBONIOSA-N 2 0 375.340 3.443 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Br ZINC000521125362 567043392 /nfs/dbraw/zinc/04/33/92/567043392.db2.gz KRHFQPRMMZPRPB-UHFFFAOYSA-N 2 0 398.370 3.229 20 0 GGADRP Brc1cccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431033246 567048618 /nfs/dbraw/zinc/04/86/18/567048618.db2.gz HFQRNLXXZLVUEW-UHFFFAOYSA-N 2 0 377.286 3.075 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000565226373 567049958 /nfs/dbraw/zinc/04/99/58/567049958.db2.gz KMLLUIUDONTTIS-GYSYKLTISA-N 2 0 381.236 3.361 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000565226376 567050113 /nfs/dbraw/zinc/05/01/13/567050113.db2.gz KMLLUIUDONTTIS-JTNHKYCSSA-N 2 0 381.236 3.361 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453073507 567050661 /nfs/dbraw/zinc/05/06/61/567050661.db2.gz GRMNJVCQSZACJN-FQEVSTJZSA-N 2 0 394.401 3.386 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453069248 567050704 /nfs/dbraw/zinc/05/07/04/567050704.db2.gz ZHYWSSLWLJABIL-OXJNMPFZSA-N 2 0 394.401 3.386 20 0 GGADRP CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000431075460 567052231 /nfs/dbraw/zinc/05/22/31/567052231.db2.gz FBZKKUKZGAEDOR-UHFFFAOYSA-N 2 0 386.309 3.381 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000453090308 567053309 /nfs/dbraw/zinc/05/33/09/567053309.db2.gz CCOHJOCPQWYLSJ-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000584557295 567053965 /nfs/dbraw/zinc/05/39/65/567053965.db2.gz RRPRSURLZVQTMY-INIZCTEOSA-N 2 0 395.341 3.399 20 0 GGADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1Br)C1CC1)CN1CC[NH+](C)CC1 ZINC000453112816 567054075 /nfs/dbraw/zinc/05/40/75/567054075.db2.gz TTZLRWWSWIAYMH-UZLBHIALSA-N 2 0 394.401 3.243 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453105245 567054855 /nfs/dbraw/zinc/05/48/55/567054855.db2.gz WIUBPCQLFMTPKD-KXBFYZLASA-N 2 0 380.374 3.442 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1(C)C ZINC000453226435 567064542 /nfs/dbraw/zinc/06/45/42/567064542.db2.gz VHARDIUNPNGPIG-LJQANCHMSA-N 2 0 394.401 3.386 20 0 GGADRP Brc1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)OCCCO2 ZINC000565540155 567077768 /nfs/dbraw/zinc/07/77/68/567077768.db2.gz JXPUNZLHLKOQJF-UHFFFAOYSA-N 2 0 381.314 3.186 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000453381580 567083342 /nfs/dbraw/zinc/08/33/42/567083342.db2.gz RMYBQBLCJIBDSJ-WXSAJPJJSA-N 2 0 383.374 3.227 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627027 567083958 /nfs/dbraw/zinc/08/39/58/567083958.db2.gz SRAYMQVXAPRMEV-CABCVRRESA-N 2 0 382.346 3.486 20 0 GGADRP Cc1cc(Br)c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000453566927 567091048 /nfs/dbraw/zinc/09/10/48/567091048.db2.gz GFNCGAWEOWFJGV-MRXNPFEDSA-N 2 0 395.366 3.328 20 0 GGADRP Cc1cc(Br)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000453586316 567093810 /nfs/dbraw/zinc/09/38/10/567093810.db2.gz YGEZTSUDYGXLAT-CZUORRHYSA-N 2 0 386.403 3.277 20 0 GGADRP C[N@H+](CCCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000453603299 567096818 /nfs/dbraw/zinc/09/68/18/567096818.db2.gz XFJMSDGLLWQESE-UHFFFAOYSA-N 2 0 396.373 3.250 20 0 GGADRP Brc1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)OCO2 ZINC000657813127 567098347 /nfs/dbraw/zinc/09/83/47/567098347.db2.gz ZQTGVLLJSWSTQX-UHFFFAOYSA-N 2 0 381.314 3.389 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657832482 567098958 /nfs/dbraw/zinc/09/89/58/567098958.db2.gz DRHSMMMBVVINSX-LJQANCHMSA-N 2 0 382.390 3.387 20 0 GGADRP Brc1ccn2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000657815953 567099037 /nfs/dbraw/zinc/09/90/37/567099037.db2.gz SSFNYUDKLDYTDG-UHFFFAOYSA-N 2 0 377.330 3.308 20 0 GGADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657836863 567100352 /nfs/dbraw/zinc/10/03/52/567100352.db2.gz PJLQYUVWDKSYEM-QFBILLFUSA-N 2 0 382.390 3.386 20 0 GGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657882604 567102233 /nfs/dbraw/zinc/10/22/33/567102233.db2.gz SODFESPAKDHEPS-QFBILLFUSA-N 2 0 382.390 3.242 20 0 GGADRP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565834276 567104471 /nfs/dbraw/zinc/10/44/71/567104471.db2.gz DTYKUCAZSXKNHS-CVEARBPZSA-N 2 0 384.351 3.273 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000565902956 567109288 /nfs/dbraw/zinc/10/92/88/567109288.db2.gz CQDGRIMLOLNKLA-CQSZACIVSA-N 2 0 380.330 3.311 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000566242152 567142093 /nfs/dbraw/zinc/14/20/93/567142093.db2.gz KDQPALHWAIYSLH-ZFWWWQNUSA-N 2 0 384.351 3.492 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546932653 567172032 /nfs/dbraw/zinc/17/20/32/567172032.db2.gz XMPGCCCAXSSLQE-PBHICJAKSA-N 2 0 379.346 3.268 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000566700638 567181758 /nfs/dbraw/zinc/18/17/58/567181758.db2.gz AISGTQBFKKMNBQ-AWEZNQCLSA-N 2 0 386.353 3.135 20 0 GGADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000474881128 567206630 /nfs/dbraw/zinc/20/66/30/567206630.db2.gz PYYUHNAUQIKUDK-AWEZNQCLSA-N 2 0 384.305 3.464 20 0 GGADRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000567043472 567213396 /nfs/dbraw/zinc/21/33/96/567213396.db2.gz YOHYIRGXRTZMDL-UHFFFAOYSA-N 2 0 380.330 3.242 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000524886818 567219244 /nfs/dbraw/zinc/21/92/44/567219244.db2.gz ONMKFKBEFPQVDG-UHFFFAOYSA-N 2 0 379.298 3.255 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637905946 567224124 /nfs/dbraw/zinc/22/41/24/567224124.db2.gz PGZNYVAQRWWKFV-UHFFFAOYSA-N 2 0 380.334 3.046 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000433148711 567227859 /nfs/dbraw/zinc/22/78/59/567227859.db2.gz HIAPBMQIOBEGAY-UHFFFAOYSA-N 2 0 394.357 3.148 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000433169077 567228608 /nfs/dbraw/zinc/22/86/08/567228608.db2.gz VHWBESQKRWEACO-UHFFFAOYSA-N 2 0 375.460 3.325 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638366387 567244242 /nfs/dbraw/zinc/24/42/42/567244242.db2.gz NWEBPHYJENKYEB-AWEZNQCLSA-N 2 0 380.334 3.094 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638366390 567245209 /nfs/dbraw/zinc/24/52/09/567245209.db2.gz NWEBPHYJENKYEB-CQSZACIVSA-N 2 0 380.334 3.094 20 0 GGADRP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567604328 567261144 /nfs/dbraw/zinc/26/11/44/567261144.db2.gz RDAPRAJUXSXINI-QGZVFWFLSA-N 2 0 381.314 3.325 20 0 GGADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000567678078 567267426 /nfs/dbraw/zinc/26/74/26/567267426.db2.gz JJTHFIRGTOIYSK-WMZOPIPTSA-N 2 0 399.373 3.291 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000567678077 567267436 /nfs/dbraw/zinc/26/74/36/567267436.db2.gz JJTHFIRGTOIYSK-SJLPKXTDSA-N 2 0 399.373 3.291 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000567688810 567267610 /nfs/dbraw/zinc/26/76/10/567267610.db2.gz ZSRZVURPJKLFIA-AEFFLSMTSA-N 2 0 399.373 3.146 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567681287 567267691 /nfs/dbraw/zinc/26/76/91/567267691.db2.gz OPINLZHKRFSHHT-MRXNPFEDSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000567678075 567267908 /nfs/dbraw/zinc/26/79/08/567267908.db2.gz JJTHFIRGTOIYSK-AEFFLSMTSA-N 2 0 399.373 3.291 20 0 GGADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638809823 567271825 /nfs/dbraw/zinc/27/18/25/567271825.db2.gz ZFHXVOKTQKGLQD-ZDUSSCGKSA-N 2 0 387.337 3.344 20 0 GGADRP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638852931 567274981 /nfs/dbraw/zinc/27/49/81/567274981.db2.gz OMOGOYQXFHJAKW-RDTXWAMCSA-N 2 0 399.373 3.350 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000567773858 567275555 /nfs/dbraw/zinc/27/55/55/567275555.db2.gz QDVPLCMNJWLMON-IBGZPJMESA-N 2 0 396.373 3.202 20 0 GGADRP C[C@H]1C[C@@H]1C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000685469243 567277846 /nfs/dbraw/zinc/27/78/46/567277846.db2.gz UBQVVNFLLKIONF-DOTOQJQBSA-N 2 0 398.364 3.294 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000591570397 567286141 /nfs/dbraw/zinc/28/61/41/567286141.db2.gz RMKINXVGPNQGDQ-OAHLLOKOSA-N 2 0 397.357 3.293 20 0 GGADRP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895556 567288555 /nfs/dbraw/zinc/28/85/55/567288555.db2.gz NUTLUCOOZKPXOL-CABCVRRESA-N 2 0 395.341 3.432 20 0 GGADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000639211710 567294320 /nfs/dbraw/zinc/29/43/20/567294320.db2.gz QXZQWJPTHOKVJH-UHFFFAOYSA-N 2 0 388.339 3.147 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000660655461 567317848 /nfs/dbraw/zinc/31/78/48/567317848.db2.gz NLKIWXCKXMKKPE-GOSISDBHSA-N 2 0 380.330 3.195 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000660655463 567317900 /nfs/dbraw/zinc/31/79/00/567317900.db2.gz NLKIWXCKXMKKPE-SFHVURJKSA-N 2 0 380.330 3.195 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1Br)C2 ZINC000660659907 567318095 /nfs/dbraw/zinc/31/80/95/567318095.db2.gz SGBRJOOMRDDDTF-SFHVURJKSA-N 2 0 380.330 3.195 20 0 GGADRP Cc1cc2c(o1)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2Br ZINC000527204064 567320314 /nfs/dbraw/zinc/32/03/14/567320314.db2.gz GECIQMRADIKZDI-UHFFFAOYSA-N 2 0 396.329 3.069 20 0 GGADRP O=C(CN1CC[C@H](n2cnc3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664979 567340781 /nfs/dbraw/zinc/34/07/81/567340781.db2.gz ISQVPIHTAUEICT-ZDUSSCGKSA-N 2 0 378.929 3.040 20 0 GGADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000592471104 567341742 /nfs/dbraw/zinc/34/17/42/567341742.db2.gz YAOLLPDHDHOIBJ-VHRBIJSZSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000592471105 567342305 /nfs/dbraw/zinc/34/23/05/567342305.db2.gz YAOLLPDHDHOIBJ-ZKYQVNSYSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nn2)cc1Cl ZINC000568628684 567345453 /nfs/dbraw/zinc/34/54/53/567345453.db2.gz VFKLXGDSIFVCPG-ZIAGYGMSSA-N 2 0 380.323 3.396 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)N1CC[NH+](C)CC1 ZINC000527636356 567354827 /nfs/dbraw/zinc/35/48/27/567354827.db2.gz MYMMRTIZJIUFAT-HNNXBMFYSA-N 2 0 390.316 3.089 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527654248 567356731 /nfs/dbraw/zinc/35/67/31/567356731.db2.gz SFLGCHTXYOQTSE-ZDUSSCGKSA-N 2 0 390.316 3.091 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435383757 567359286 /nfs/dbraw/zinc/35/92/86/567359286.db2.gz JRBDFCTUDSICHS-JVPBZIDWSA-N 2 0 389.341 3.421 20 0 GGADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527859574 567379499 /nfs/dbraw/zinc/37/94/99/567379499.db2.gz QBJKGXSOWRDGRY-ZDUSSCGKSA-N 2 0 390.316 3.406 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527859258 567380682 /nfs/dbraw/zinc/38/06/82/567380682.db2.gz OVPCPLHZJRLNAY-NWDGAFQWSA-N 2 0 376.289 3.014 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501400837 567385323 /nfs/dbraw/zinc/38/53/23/567385323.db2.gz QRANVOYFUYEOHO-CYBMUJFWSA-N 2 0 390.316 3.091 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1c(F)ccc(Br)c1F)N1CC[NH+](C)CC1 ZINC000501449008 567389699 /nfs/dbraw/zinc/38/96/99/567389699.db2.gz JBUPCJPGBIQJMP-INIZCTEOSA-N 2 0 390.316 3.089 20 0 GGADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000593320729 567406033 /nfs/dbraw/zinc/40/60/33/567406033.db2.gz FIHPPRUCZPYXIH-LLVKDONJSA-N 2 0 376.257 3.471 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000662263752 567421639 /nfs/dbraw/zinc/42/16/39/567421639.db2.gz DSNZEOXRMNVBMH-QAPCUYQASA-N 2 0 381.973 3.012 20 0 GGADRP O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000662290156 567423998 /nfs/dbraw/zinc/42/39/98/567423998.db2.gz LPRBVTDOIJZVNL-AWEZNQCLSA-N 2 0 398.320 3.238 20 0 GGADRP O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000662290157 567424767 /nfs/dbraw/zinc/42/47/67/567424767.db2.gz LPRBVTDOIJZVNL-CQSZACIVSA-N 2 0 398.320 3.238 20 0 GGADRP Brc1ccc2nc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000436468744 567425316 /nfs/dbraw/zinc/42/53/16/567425316.db2.gz GUYMJAQQKAWRHF-UHFFFAOYSA-N 2 0 386.297 3.250 20 0 GGADRP Brc1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000436469485 567425730 /nfs/dbraw/zinc/42/57/30/567425730.db2.gz CDOFMNHMVOBZMM-UHFFFAOYSA-N 2 0 376.298 3.482 20 0 GGADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)[NH3+] ZINC000641442280 567436241 /nfs/dbraw/zinc/43/62/41/567436241.db2.gz QJIJFJVIYPIHRP-CYBMUJFWSA-N 2 0 375.344 3.194 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474176 567439402 /nfs/dbraw/zinc/43/94/02/567439402.db2.gz UBOUFBWPEBGTDC-SCLBCKFNSA-N 2 0 375.563 3.268 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000569924148 567444687 /nfs/dbraw/zinc/44/46/87/567444687.db2.gz RVHGIFVCJOLWCM-HNAYVOBHSA-N 2 0 384.351 3.273 20 0 GGADRP C[C@@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000662667677 567456313 /nfs/dbraw/zinc/45/63/13/567456313.db2.gz CIVLOFKBFMQORY-LPHOPBHVSA-N 2 0 394.357 3.146 20 0 GGADRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(Br)cc1O ZINC000570249759 567468856 /nfs/dbraw/zinc/46/88/56/567468856.db2.gz FHIOKHALVHGDTK-UHFFFAOYSA-N 2 0 389.359 3.080 20 0 GGADRP Cc1cc(Br)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000457562274 567474208 /nfs/dbraw/zinc/47/42/08/567474208.db2.gz UKVINXYISFEGIU-UHFFFAOYSA-N 2 0 390.391 3.165 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)CNC1CC[NH+](CC2CC2)CC1 ZINC000570419438 567483504 /nfs/dbraw/zinc/48/35/04/567483504.db2.gz JWYLYQJCULBVOP-UHFFFAOYSA-N 2 0 380.330 3.160 20 0 GGADRP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000479058713 567499006 /nfs/dbraw/zinc/49/90/06/567499006.db2.gz JUONCWJMRAAZEE-KDOFPFPSSA-N 2 0 380.374 3.397 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479062207 567499153 /nfs/dbraw/zinc/49/91/53/567499153.db2.gz NSIHGRFXVDJMSP-UGSOOPFHSA-N 2 0 384.337 3.265 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479067074 567499231 /nfs/dbraw/zinc/49/92/31/567499231.db2.gz LCUSKHSGBDASBB-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479062206 567499335 /nfs/dbraw/zinc/49/93/35/567499335.db2.gz NSIHGRFXVDJMSP-SCLBCKFNSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479062205 567499434 /nfs/dbraw/zinc/49/94/34/567499434.db2.gz NSIHGRFXVDJMSP-FZKQIMNGSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479062204 567499814 /nfs/dbraw/zinc/49/98/14/567499814.db2.gz NSIHGRFXVDJMSP-ACJLOTCBSA-N 2 0 384.337 3.265 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479067887 567500570 /nfs/dbraw/zinc/50/05/70/567500570.db2.gz WTSGWCFMDMYNKE-KSSFIOAISA-N 2 0 380.374 3.397 20 0 GGADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663374845 567502540 /nfs/dbraw/zinc/50/25/40/567502540.db2.gz PFWTUOFZEOZBDR-QGZVFWFLSA-N 2 0 387.351 3.445 20 0 GGADRP CC(C)([NH3+])c1noc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683947 567505132 /nfs/dbraw/zinc/50/51/32/567505132.db2.gz OMEGIFCCOQXZMT-VIFPVBQESA-N 2 0 375.420 3.118 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663440356 567508473 /nfs/dbraw/zinc/50/84/73/567508473.db2.gz DOARGXISHFKTAQ-OAHLLOKOSA-N 2 0 385.371 3.422 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503900191 567510717 /nfs/dbraw/zinc/51/07/17/567510717.db2.gz DENQIBSUNAAYDM-IINYFYTJSA-N 2 0 378.685 3.374 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479339322 567526483 /nfs/dbraw/zinc/52/64/83/567526483.db2.gz XNXFVXXJBIJAND-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479357246 567527802 /nfs/dbraw/zinc/52/78/02/567527802.db2.gz XVUXTOSIXGCTHG-DNVCBOLYSA-N 2 0 380.374 3.442 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008520 567533875 /nfs/dbraw/zinc/53/38/75/567533875.db2.gz UTWRFRZZEJBLGD-SJCJKPOMSA-N 2 0 382.289 3.352 20 0 GGADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000571275869 567550852 /nfs/dbraw/zinc/55/08/52/567550852.db2.gz WHWBTTKEYZYJNW-MJXNMMHHSA-N 2 0 393.325 3.323 20 0 GGADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)COCc1cccs1 ZINC000644532487 567557003 /nfs/dbraw/zinc/55/70/03/567557003.db2.gz WAWHAXRMFFCTFZ-KRWDZBQOSA-N 2 0 380.579 3.189 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571514452 567567382 /nfs/dbraw/zinc/56/73/82/567567382.db2.gz ITRMKHUDKLSKLH-VMUDFCTBSA-N 2 0 380.330 3.144 20 0 GGADRP Cc1cc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc2c(Br)c1 ZINC000571833779 567592282 /nfs/dbraw/zinc/59/22/82/567592282.db2.gz ISNIBZKDQWESCD-UHFFFAOYSA-N 2 0 396.329 3.069 20 0 GGADRP Brc1ccc(-c2cnc(CN3CCN(c4ncc[nH]4)CC3)o2)cc1 ZINC000571891868 567596434 /nfs/dbraw/zinc/59/64/34/567596434.db2.gz HJVWDMBQGLZAHE-UHFFFAOYSA-N 2 0 388.269 3.149 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155427 567608773 /nfs/dbraw/zinc/60/87/73/567608773.db2.gz VPKKIEIOESISCV-IRXDYDNUSA-N 2 0 392.385 3.065 20 0 GGADRP Brc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000480648006 567618908 /nfs/dbraw/zinc/61/89/08/567618908.db2.gz XBAGDIAUCPOCEY-UHFFFAOYSA-N 2 0 392.341 3.340 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(Cl)c1Cl ZINC000622121582 567639674 /nfs/dbraw/zinc/63/96/74/567639674.db2.gz GMVXFHOJCLISGC-UHFFFAOYSA-N 2 0 389.371 3.408 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481069573 567655687 /nfs/dbraw/zinc/65/56/87/567655687.db2.gz FTKZOIYSSXRQIE-HNNXBMFYSA-N 2 0 396.373 3.070 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737459 567656345 /nfs/dbraw/zinc/65/63/45/567656345.db2.gz RHQZLMBDRSATKD-OAHLLOKOSA-N 2 0 377.330 3.456 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459777235 567658605 /nfs/dbraw/zinc/65/86/05/567658605.db2.gz KIVPULNNHNFDLD-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000531758938 567677129 /nfs/dbraw/zinc/67/71/29/567677129.db2.gz DGPVGYFHOMEDRN-UHFFFAOYSA-N 2 0 375.738 3.427 20 0 GGADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000572961667 567678125 /nfs/dbraw/zinc/67/81/25/567678125.db2.gz RKMREAAMIFTVBX-OALUTQOASA-N 2 0 389.337 3.349 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000572965459 567678299 /nfs/dbraw/zinc/67/82/99/567678299.db2.gz PMVSESBCSMSFDQ-PWIZWCRZSA-N 2 0 393.369 3.274 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666855484 567707731 /nfs/dbraw/zinc/70/77/31/567707731.db2.gz VBSGSEPSDQSSMK-NSHDSACASA-N 2 0 392.135 3.452 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856548 567707920 /nfs/dbraw/zinc/70/79/20/567707920.db2.gz OZWXOXFCNIACQZ-INIZCTEOSA-N 2 0 377.330 3.483 20 0 GGADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000666855205 567708070 /nfs/dbraw/zinc/70/80/70/567708070.db2.gz FQYVBDWUVGGOMV-NSHDSACASA-N 2 0 379.245 3.291 20 0 GGADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442860497 567712908 /nfs/dbraw/zinc/71/29/08/567712908.db2.gz BSGPROICVFDZQL-AWEZNQCLSA-N 2 0 386.353 3.135 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952349 567713950 /nfs/dbraw/zinc/71/39/50/567713950.db2.gz SMAZGBNPFRQOKJ-KRWDZBQOSA-N 2 0 375.314 3.175 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1(C)C ZINC000442871139 567714635 /nfs/dbraw/zinc/71/46/35/567714635.db2.gz HFEZKNLHIITNMQ-KRWDZBQOSA-N 2 0 384.337 3.191 20 0 GGADRP Cc1cc(C)c(Br)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000461013040 567715448 /nfs/dbraw/zinc/71/54/48/567715448.db2.gz NBAZLNTXXVFREH-UHFFFAOYSA-N 2 0 398.389 3.412 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954148 567716023 /nfs/dbraw/zinc/71/60/23/567716023.db2.gz QYQAMGNSHOOXPE-GOSISDBHSA-N 2 0 378.358 3.145 20 0 GGADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000442925341 567717890 /nfs/dbraw/zinc/71/78/90/567717890.db2.gz VABDUGKASGAYET-CQSZACIVSA-N 2 0 388.293 3.121 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474126 567718414 /nfs/dbraw/zinc/71/84/14/567718414.db2.gz UKSXNGUMCQBSCC-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474128 567719076 /nfs/dbraw/zinc/71/90/76/567719076.db2.gz UKSXNGUMCQBSCC-GJZGRUSLSA-N 2 0 382.346 3.488 20 0 GGADRP COc1ccc(Br)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000532672636 567727261 /nfs/dbraw/zinc/72/72/61/567727261.db2.gz OMLMQAVZDQKPHR-HUUCEWRRSA-N 2 0 385.346 3.437 20 0 GGADRP Ic1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000554584691 567737480 /nfs/dbraw/zinc/73/74/80/567737480.db2.gz KZGQBTCFMSWADJ-MRXNPFEDSA-N 2 0 380.229 3.340 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000554718565 567744079 /nfs/dbraw/zinc/74/40/79/567744079.db2.gz WTOIIVMCLOQMJM-BBRMVZONSA-N 2 0 375.326 3.466 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533179504 567757369 /nfs/dbraw/zinc/75/73/69/567757369.db2.gz POSBMDBLGODSDH-CQSZACIVSA-N 2 0 386.327 3.021 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121226 567760385 /nfs/dbraw/zinc/76/03/85/567760385.db2.gz QFPJQJPQYNMWFY-LSDHHAIUSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000574632154 567789218 /nfs/dbraw/zinc/78/92/18/567789218.db2.gz XVNRTWYMYXJZCQ-RDJZCZTQSA-N 2 0 385.346 3.043 20 0 GGADRP C[C@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000574632151 567789661 /nfs/dbraw/zinc/78/96/61/567789661.db2.gz XVNRTWYMYXJZCQ-NVXWUHKLSA-N 2 0 385.346 3.043 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000647545708 567790470 /nfs/dbraw/zinc/79/04/70/567790470.db2.gz HYJVUNGENHWELE-ZIAGYGMSSA-N 2 0 383.330 3.288 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000647545706 567790621 /nfs/dbraw/zinc/79/06/21/567790621.db2.gz HYJVUNGENHWELE-KGLIPLIRSA-N 2 0 383.330 3.288 20 0 GGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(Br)cc1 ZINC000555665716 567794290 /nfs/dbraw/zinc/79/42/90/567794290.db2.gz CACSPZGHLDROEO-KRWDZBQOSA-N 2 0 381.358 3.064 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cncc(Br)c1C ZINC000668159868 567799455 /nfs/dbraw/zinc/79/94/55/567799455.db2.gz JJAUCDJIBIGHCB-QGZVFWFLSA-N 2 0 383.378 3.000 20 0 GGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC000647789386 567800722 /nfs/dbraw/zinc/80/07/22/567800722.db2.gz CECPOLHSMPTRJW-JTDSTZFVSA-N 2 0 393.369 3.475 20 0 GGADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC000647789384 567800855 /nfs/dbraw/zinc/80/08/55/567800855.db2.gz CECPOLHSMPTRJW-FRQCXROJSA-N 2 0 393.369 3.475 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000647795199 567801720 /nfs/dbraw/zinc/80/17/20/567801720.db2.gz JYWPPGIWZDGGHH-GKLJAUDBSA-N 2 0 382.335 3.467 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000647970003 567807642 /nfs/dbraw/zinc/80/76/42/567807642.db2.gz OCCZTYZQKPNEQN-AWEZNQCLSA-N 2 0 383.330 3.288 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975755 567808965 /nfs/dbraw/zinc/80/89/65/567808965.db2.gz FOPWBBSQPRAVPY-HZPDHXFCSA-N 2 0 394.357 3.408 20 0 GGADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647975225 567809180 /nfs/dbraw/zinc/80/91/80/567809180.db2.gz RFHBYCGQIMLKBX-HUUCEWRRSA-N 2 0 380.330 3.099 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975753 567809211 /nfs/dbraw/zinc/80/92/11/567809211.db2.gz FOPWBBSQPRAVPY-CVEARBPZSA-N 2 0 394.357 3.408 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987298 567810019 /nfs/dbraw/zinc/81/00/19/567810019.db2.gz GUOOLGAEIUZNMK-ZNMIVQPWSA-N 2 0 384.351 3.492 20 0 GGADRP CC(C)(CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000058179451 570717015 /nfs/dbraw/zinc/71/70/15/570717015.db2.gz GFAWXQCMADHDMW-OAQYLSRUSA-N 2 0 386.584 3.462 20 0 GGADRP COc1cc(NC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc(OC)c1 ZINC000045806958 570996888 /nfs/dbraw/zinc/99/68/88/570996888.db2.gz ASRNYMFSXLAJDF-UHFFFAOYSA-N 2 0 389.540 3.230 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736268587 598491833 /nfs/dbraw/zinc/49/18/33/598491833.db2.gz YGQOSTAPKDNHDT-QGZVFWFLSA-N 2 0 376.508 3.388 20 0 GGADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1-c1nn[nH]n1 ZINC000821818196 599397378 /nfs/dbraw/zinc/39/73/78/599397378.db2.gz KUSORSHQOWTZFZ-UHFFFAOYSA-N 2 0 392.507 3.151 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623804 607483518 /nfs/dbraw/zinc/48/35/18/607483518.db2.gz SVYJIFVIJJUBAB-MAUKXSAKSA-N 2 0 386.500 3.240 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833614334 605219378 /nfs/dbraw/zinc/21/93/78/605219378.db2.gz GHKIILOAAFWDEK-IBGZPJMESA-N 2 0 387.568 3.480 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000820703742 606914796 /nfs/dbraw/zinc/91/47/96/606914796.db2.gz JYFOSKWZCQGEHG-INIZCTEOSA-N 2 0 386.519 3.482 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820703134 606914892 /nfs/dbraw/zinc/91/48/92/606914892.db2.gz CZLKFUHSMXPLBZ-MRXNPFEDSA-N 2 0 386.519 3.482 20 0 GGADRP c1cc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)sc1-c1nn[nH]n1 ZINC000826515744 607850793 /nfs/dbraw/zinc/85/07/93/607850793.db2.gz JHXJFGGOUIVSHT-SJORKVTESA-N 2 0 380.521 3.312 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825918934 608207816 /nfs/dbraw/zinc/20/78/16/608207816.db2.gz PMXXJOGJPCUOGV-UHFFFAOYSA-N 2 0 395.486 3.139 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530966 609418123 /nfs/dbraw/zinc/41/81/23/609418123.db2.gz NQCDZFGNAOJYBA-FIKGOQFSSA-N 2 0 376.508 3.428 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccccc1 ZINC000053048442 1406271652 /nfs/dbraw/zinc/27/16/52/1406271652.db2.gz IIUSNPWPDDNDMN-FQEVSTJZSA-N 2 0 379.548 3.330 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000053250496 1406343416 /nfs/dbraw/zinc/34/34/16/1406343416.db2.gz UFNWLTUOPZPGHG-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000053990615 1406579063 /nfs/dbraw/zinc/57/90/63/1406579063.db2.gz BBQKVXIOZUFOHP-UHFFFAOYSA-N 2 0 392.547 3.462 20 0 GGADRP COc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054038991 1406599334 /nfs/dbraw/zinc/59/93/34/1406599334.db2.gz QKCFODRSIWWHHU-NRFANRHFSA-N 2 0 388.556 3.007 20 0 GGADRP Cc1cc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC000054386436 1406711573 /nfs/dbraw/zinc/71/15/73/1406711573.db2.gz QSLWSXJGJHUXCH-UHFFFAOYSA-N 2 0 395.551 3.000 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000054511538 1406757196 /nfs/dbraw/zinc/75/71/96/1406757196.db2.gz XMWFWASRSKPACX-PMACEKPBSA-N 2 0 386.584 3.450 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000054511674 1406757242 /nfs/dbraw/zinc/75/72/42/1406757242.db2.gz MWYCOEUZXJHUOX-UGKGYDQZSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000054718015 1406812068 /nfs/dbraw/zinc/81/20/68/1406812068.db2.gz SIUFLPJPMPBPNY-GCJKJVERSA-N 2 0 380.536 3.383 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055047930 1406878362 /nfs/dbraw/zinc/87/83/62/1406878362.db2.gz NVEXLUXLEULPCC-UHFFFAOYSA-N 2 0 393.535 3.099 20 0 GGADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000017319488 1399279396 /nfs/dbraw/zinc/27/93/96/1399279396.db2.gz MOJUQXDAZOAHEW-UHFFFAOYSA-N 2 0 381.520 3.039 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000026100182 1399859242 /nfs/dbraw/zinc/85/92/42/1399859242.db2.gz MLUZXDZDXGMIBP-HSZRJFAPSA-N 2 0 377.532 3.235 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccs1 ZINC000029655844 1400330377 /nfs/dbraw/zinc/33/03/77/1400330377.db2.gz MBOBMVNQRSGYSB-LJQANCHMSA-N 2 0 386.565 3.446 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000029807512 1400356054 /nfs/dbraw/zinc/35/60/54/1400356054.db2.gz CNNXNWNNFHMPGJ-HSZRJFAPSA-N 2 0 392.547 3.386 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000056155013 1407231673 /nfs/dbraw/zinc/23/16/73/1407231673.db2.gz VDBBTSPTEIPBAZ-KRWDZBQOSA-N 2 0 388.556 3.021 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC000056341983 1407304628 /nfs/dbraw/zinc/30/46/28/1407304628.db2.gz XERAYVPNFZKTON-WOJBJXKFSA-N 2 0 390.478 3.170 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000056343125 1407305468 /nfs/dbraw/zinc/30/54/68/1407305468.db2.gz XDHRUISNIJRHHX-UHFFFAOYSA-N 2 0 386.584 3.413 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000056495167 1407348119 /nfs/dbraw/zinc/34/81/19/1407348119.db2.gz YHCIUFKBXYALBP-UHFFFAOYSA-N 2 0 377.598 3.467 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929671 1403675471 /nfs/dbraw/zinc/67/54/71/1403675471.db2.gz NRFUSWKMUXVZEN-HXUWFJFHSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144396 1403718103 /nfs/dbraw/zinc/71/81/03/1403718103.db2.gz PBXIOXQMLUTHST-KURKYZTESA-N 2 0 380.602 3.408 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC000043145596 1403718574 /nfs/dbraw/zinc/71/85/74/1403718574.db2.gz ZVQOXSBTYFVKIQ-IBGZPJMESA-N 2 0 386.565 3.268 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167310 1403723966 /nfs/dbraw/zinc/72/39/66/1403723966.db2.gz LNENELBPFACLRM-IBGZPJMESA-N 2 0 376.545 3.228 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043490083 1403772568 /nfs/dbraw/zinc/77/25/68/1403772568.db2.gz WJOBTHQJYCPZCX-UHFFFAOYSA-N 2 0 395.551 3.130 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000043800726 1403819902 /nfs/dbraw/zinc/81/99/02/1403819902.db2.gz BGBMKWCLHYARGW-NRFANRHFSA-N 2 0 399.514 3.002 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=S)NCCC[NH+](C)C)C1 ZINC000044186223 1403896815 /nfs/dbraw/zinc/89/68/15/1403896815.db2.gz DRNZZJGYGLVSPI-QZTJIDSGSA-N 2 0 376.614 3.080 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=S)NCCC[NH+](C)C)C1 ZINC000044186220 1403896916 /nfs/dbraw/zinc/89/69/16/1403896916.db2.gz DRNZZJGYGLVSPI-ROUUACIJSA-N 2 0 376.614 3.080 20 0 GGADRP O=C(NCCC[NH+]1CCCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000045121632 1404057546 /nfs/dbraw/zinc/05/75/46/1404057546.db2.gz MZXITZFYMDCFKP-LJQANCHMSA-N 2 0 378.948 3.262 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045410511 1404117040 /nfs/dbraw/zinc/11/70/40/1404117040.db2.gz SUVNQVSSXXQOAZ-UHFFFAOYSA-N 2 0 378.586 3.228 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045543524 1404143549 /nfs/dbraw/zinc/14/35/49/1404143549.db2.gz JCRAURDAVWSHRN-APWZRJJASA-N 2 0 386.565 3.097 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000045543521 1404144165 /nfs/dbraw/zinc/14/41/65/1404144165.db2.gz JCRAURDAVWSHRN-LPHOPBHVSA-N 2 0 386.565 3.097 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000045757665 1404196691 /nfs/dbraw/zinc/19/66/91/1404196691.db2.gz SMWGDBVWFWXIII-ICSRJNTNSA-N 2 0 386.584 3.379 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045975946 1404258063 /nfs/dbraw/zinc/25/80/63/1404258063.db2.gz URRLNWFKAFCRRM-OALUTQOASA-N 2 0 387.572 3.131 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000046889662 1404623157 /nfs/dbraw/zinc/62/31/57/1404623157.db2.gz GAGRWEKNFVNHEJ-UHFFFAOYSA-N 2 0 390.959 3.230 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000046893251 1404625368 /nfs/dbraw/zinc/62/53/68/1404625368.db2.gz TZFVOJFDFSHARO-IBGZPJMESA-N 2 0 386.565 3.098 20 0 GGADRP COc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC000047748199 1404919850 /nfs/dbraw/zinc/91/98/50/1404919850.db2.gz XWAMXXTVUQRJPF-FQEVSTJZSA-N 2 0 388.556 3.006 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000047883500 1404983039 /nfs/dbraw/zinc/98/30/39/1404983039.db2.gz JVPBKENBNMUTPW-HXUWFJFHSA-N 2 0 388.556 3.004 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000047915645 1404995383 /nfs/dbraw/zinc/99/53/83/1404995383.db2.gz WPNKJDXYSKJZTI-IBGZPJMESA-N 2 0 390.597 3.447 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000047935792 1405002573 /nfs/dbraw/zinc/00/25/73/1405002573.db2.gz JZRPGFXICNSMGR-NHCUHLMSSA-N 2 0 384.499 3.002 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000047935794 1405003108 /nfs/dbraw/zinc/00/31/08/1405003108.db2.gz JZRPGFXICNSMGR-LEWJYISDSA-N 2 0 384.499 3.002 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047950583 1405008692 /nfs/dbraw/zinc/00/86/92/1405008692.db2.gz BFEGPPSERFRGJE-UXHICEINSA-N 2 0 398.576 3.459 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964778 1405012715 /nfs/dbraw/zinc/01/27/15/1405012715.db2.gz FRRHNAIRKLSBHY-HSZRJFAPSA-N 2 0 392.547 3.356 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000047973491 1405013805 /nfs/dbraw/zinc/01/38/05/1405013805.db2.gz LYCMDNOWBATOSE-UHFFFAOYSA-N 2 0 397.510 3.300 20 0 GGADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000047978919 1405014577 /nfs/dbraw/zinc/01/45/77/1405014577.db2.gz FLUXGQJXULDAJC-RTBURBONSA-N 2 0 386.584 3.448 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000047978762 1405014889 /nfs/dbraw/zinc/01/48/89/1405014889.db2.gz CGJIJMIYYOWWMP-HSZRJFAPSA-N 2 0 387.568 3.316 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000048394820 1405177123 /nfs/dbraw/zinc/17/71/23/1405177123.db2.gz RZQFSDUAGYSFJA-SFHVURJKSA-N 2 0 384.568 3.345 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048564994 1405226437 /nfs/dbraw/zinc/22/64/37/1405226437.db2.gz ZOXCMJBRKJOTSE-JOCHJYFZSA-N 2 0 388.552 3.217 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000048717351 1405267209 /nfs/dbraw/zinc/26/72/09/1405267209.db2.gz LTUCNBSLGFNWII-UHFFFAOYSA-N 2 0 394.475 3.036 20 0 GGADRP Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)cn2)n1 ZINC000048743737 1405278280 /nfs/dbraw/zinc/27/82/80/1405278280.db2.gz TWWRINVIMBLROQ-UHFFFAOYSA-N 2 0 379.508 3.114 20 0 GGADRP CC[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000049164752 1405347592 /nfs/dbraw/zinc/34/75/92/1405347592.db2.gz LGOBCNGCRVSLIM-HSZRJFAPSA-N 2 0 394.563 3.384 20 0 GGADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000050137173 1405496760 /nfs/dbraw/zinc/49/67/60/1405496760.db2.gz MRJYSCLUPIFHBW-KRWDZBQOSA-N 2 0 378.586 3.134 20 0 GGADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051957403 1405890008 /nfs/dbraw/zinc/89/00/08/1405890008.db2.gz IBRYWBGVVJZJEK-UGKGYDQZSA-N 2 0 387.568 3.077 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056764364 1407424392 /nfs/dbraw/zinc/42/43/92/1407424392.db2.gz YWYRAVJWLDXMHK-UHFFFAOYSA-N 2 0 393.535 3.464 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056788353 1407433389 /nfs/dbraw/zinc/43/33/89/1407433389.db2.gz USUHZAOFXMDFOV-ZWKOTPCHSA-N 2 0 390.547 3.210 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000056813604 1407441518 /nfs/dbraw/zinc/44/15/18/1407441518.db2.gz RSQFYHGGJQIGRH-UHFFFAOYSA-N 2 0 398.551 3.457 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000056933684 1407477257 /nfs/dbraw/zinc/47/72/57/1407477257.db2.gz JYFCQBZJSBKEFQ-FQEVSTJZSA-N 2 0 388.556 3.007 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000056937358 1407479107 /nfs/dbraw/zinc/47/91/07/1407479107.db2.gz ARGIADUDBIXIJS-QFIPXVFZSA-N 2 0 398.526 3.346 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000056950315 1407482650 /nfs/dbraw/zinc/48/26/50/1407482650.db2.gz PLYMIBBMECSCOU-NHCUHLMSSA-N 2 0 384.499 3.002 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000057043490 1407507803 /nfs/dbraw/zinc/50/78/03/1407507803.db2.gz PEYMLQFHNLVAQC-LJQANCHMSA-N 2 0 386.584 3.381 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000057127874 1407530574 /nfs/dbraw/zinc/53/05/74/1407530574.db2.gz OZMYJFNYGGHLBA-HSZRJFAPSA-N 2 0 379.548 3.188 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000057127925 1407530591 /nfs/dbraw/zinc/53/05/91/1407530591.db2.gz IOCYEWHRXJFQQZ-GMAHTHKFSA-N 2 0 395.547 3.326 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000057164350 1407539932 /nfs/dbraw/zinc/53/99/32/1407539932.db2.gz MZCYXBQGBPGDER-QGZVFWFLSA-N 2 0 392.975 3.478 20 0 GGADRP COc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000057166097 1407540724 /nfs/dbraw/zinc/54/07/24/1407540724.db2.gz DPZKGLDZBIGCKH-RXVVDRJESA-N 2 0 388.556 3.006 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000057172647 1407544426 /nfs/dbraw/zinc/54/44/26/1407544426.db2.gz MKBWZHIASPYNKI-BGYRXZFFSA-N 2 0 381.564 3.126 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057174358 1407545364 /nfs/dbraw/zinc/54/53/64/1407545364.db2.gz ULUZWAKMNOFOQK-JOCHJYFZSA-N 2 0 395.547 3.155 20 0 GGADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)CC1 ZINC000057175304 1407545909 /nfs/dbraw/zinc/54/59/09/1407545909.db2.gz VNQMTZKIBHXMDW-QHCPKHFHSA-N 2 0 392.547 3.432 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057425864 1407613355 /nfs/dbraw/zinc/61/33/55/1407613355.db2.gz JXTGMJYCYVKBHI-UHFFFAOYSA-N 2 0 378.536 3.208 20 0 GGADRP CC(C)[NH+](CCn1c(SCC[NH+](C)C)nc2ccccc2c1=O)C(C)C ZINC000057531747 1407643946 /nfs/dbraw/zinc/64/39/46/1407643946.db2.gz JNQLFWNYDXCRBQ-UHFFFAOYSA-N 2 0 376.570 3.169 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000057631351 1407671467 /nfs/dbraw/zinc/67/14/67/1407671467.db2.gz KPUONSDMYWAEKG-OAQYLSRUSA-N 2 0 386.584 3.414 20 0 GGADRP CCN1CCc2nc3ccccc3c(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC000176342183 1428257508 /nfs/dbraw/zinc/25/75/08/1428257508.db2.gz IVTKOZQNMOKNOT-GOSISDBHSA-N 2 0 394.563 3.321 20 0 GGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000176349674 1428262534 /nfs/dbraw/zinc/26/25/34/1428262534.db2.gz XSKHCPBXQKSVTL-LJQANCHMSA-N 2 0 396.620 3.076 20 0 GGADRP O=C(C[NH+]1CCCCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058013672 1407769478 /nfs/dbraw/zinc/76/94/78/1407769478.db2.gz VGDALNZSAJENCJ-UHFFFAOYSA-N 2 0 392.547 3.433 20 0 GGADRP CC[NH+](CC)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059385904 1407920259 /nfs/dbraw/zinc/92/02/59/1407920259.db2.gz ZZLBGJNSBJJWNR-UHFFFAOYSA-N 2 0 394.563 3.285 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000060403754 1407972017 /nfs/dbraw/zinc/97/20/17/1407972017.db2.gz OUNJDYSLYUEGHR-UHFFFAOYSA-N 2 0 375.557 3.352 20 0 GGADRP COc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000060833581 1408039715 /nfs/dbraw/zinc/03/97/15/1408039715.db2.gz KGFJJODECHZTKB-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000060954421 1408056115 /nfs/dbraw/zinc/05/61/15/1408056115.db2.gz LBVSOUBUWVQGJS-PMACEKPBSA-N 2 0 384.524 3.409 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)CC1 ZINC000061115396 1408079166 /nfs/dbraw/zinc/07/91/66/1408079166.db2.gz MNXBCWYXPUNORP-UHFFFAOYSA-N 2 0 386.584 3.211 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061159894 1408085101 /nfs/dbraw/zinc/08/51/01/1408085101.db2.gz HZDBTGVUNGKCRC-WOJBJXKFSA-N 2 0 386.584 3.210 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000176387411 1428291717 /nfs/dbraw/zinc/29/17/17/1428291717.db2.gz RAAXISSXAAZCTK-YADHBBJMSA-N 2 0 384.568 3.228 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000062477310 1408264758 /nfs/dbraw/zinc/26/47/58/1408264758.db2.gz YXIMXGRTHWREME-UHFFFAOYSA-N 2 0 378.948 3.040 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000062528530 1408274379 /nfs/dbraw/zinc/27/43/79/1408274379.db2.gz UOLAWRQNSFXFSE-RBUKOAKNSA-N 2 0 378.605 3.451 20 0 GGADRP CCC(CC)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000063147015 1408307158 /nfs/dbraw/zinc/30/71/58/1408307158.db2.gz YQAIMBALRZENCR-NRFANRHFSA-N 2 0 390.641 3.482 20 0 GGADRP CC(C)(CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000063144212 1408307430 /nfs/dbraw/zinc/30/74/30/1408307430.db2.gz KXRSDVNSTDSYCB-UHFFFAOYSA-N 2 0 388.625 3.380 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000063319556 1408336307 /nfs/dbraw/zinc/33/63/07/1408336307.db2.gz NAOIBZVTURTJQD-UHFFFAOYSA-N 2 0 382.504 3.468 20 0 GGADRP C[N@H+](CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000063332056 1408338968 /nfs/dbraw/zinc/33/89/68/1408338968.db2.gz JWGLDEHVYMISLV-UHFFFAOYSA-N 2 0 386.584 3.462 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063463955 1408358615 /nfs/dbraw/zinc/35/86/15/1408358615.db2.gz XRUDRHKJFCACGN-OAQYLSRUSA-N 2 0 386.584 3.318 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000063710809 1408394733 /nfs/dbraw/zinc/39/47/33/1408394733.db2.gz XKMVKCYGBWNWNX-WOJBJXKFSA-N 2 0 375.532 3.274 20 0 GGADRP CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063755710 1408402992 /nfs/dbraw/zinc/40/29/92/1408402992.db2.gz MTMVBAJANKPQJW-UHFFFAOYSA-N 2 0 380.536 3.289 20 0 GGADRP NC(=O)COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063776028 1408407599 /nfs/dbraw/zinc/40/75/99/1408407599.db2.gz XLLFJUQHMFKUSU-UHFFFAOYSA-N 2 0 381.520 3.217 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026539 1408469305 /nfs/dbraw/zinc/46/93/05/1408469305.db2.gz JVDAOVLMTBTOCO-UHFFFAOYSA-N 2 0 378.520 3.072 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176452949 1428324435 /nfs/dbraw/zinc/32/44/35/1428324435.db2.gz CZLLBGQQSNRNKJ-YADHBBJMSA-N 2 0 384.568 3.167 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176478512 1428333475 /nfs/dbraw/zinc/33/34/75/1428333475.db2.gz JZFQNKHQIKXZGS-NRFANRHFSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccsc1 ZINC000065447595 1408670775 /nfs/dbraw/zinc/67/07/75/1408670775.db2.gz SAVRFAYXSJDERL-IBGZPJMESA-N 2 0 378.586 3.258 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000065448386 1408671094 /nfs/dbraw/zinc/67/10/94/1408671094.db2.gz XTWWHJCXATXJFG-HXUWFJFHSA-N 2 0 378.605 3.406 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC000065470225 1408674071 /nfs/dbraw/zinc/67/40/71/1408674071.db2.gz QFCMXFLPPZGJAE-SFTDATJTSA-N 2 0 386.515 3.339 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000065480392 1408676064 /nfs/dbraw/zinc/67/60/64/1408676064.db2.gz JUHSNQAIUVSYIW-FQEVSTJZSA-N 2 0 386.584 3.379 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000065518405 1408682925 /nfs/dbraw/zinc/68/29/25/1408682925.db2.gz RFEQGHRJOIMFAH-URVUXULASA-N 2 0 386.584 3.318 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000176493845 1428339280 /nfs/dbraw/zinc/33/92/80/1428339280.db2.gz ZDHKIFOCYQPLSE-OAQYLSRUSA-N 2 0 376.589 3.443 20 0 GGADRP C[N@H+](CCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000065542673 1408686251 /nfs/dbraw/zinc/68/62/51/1408686251.db2.gz LIKKOHZBVRXARU-UHFFFAOYSA-N 2 0 394.563 3.255 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000065819812 1408735190 /nfs/dbraw/zinc/73/51/90/1408735190.db2.gz MJRGBJQJZYUQLU-UHFFFAOYSA-N 2 0 395.551 3.212 20 0 GGADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000065858193 1408743118 /nfs/dbraw/zinc/74/31/18/1408743118.db2.gz YRUNZISJUCFODA-HXUWFJFHSA-N 2 0 375.532 3.276 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065872548 1408745811 /nfs/dbraw/zinc/74/58/11/1408745811.db2.gz JLZIMXIBELUQAB-UHFFFAOYSA-N 2 0 381.520 3.478 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000066178596 1408787539 /nfs/dbraw/zinc/78/75/39/1408787539.db2.gz GEKIHOFSOXWJJG-JOCHJYFZSA-N 2 0 384.568 3.298 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000066178595 1408787604 /nfs/dbraw/zinc/78/76/04/1408787604.db2.gz GEKIHOFSOXWJJG-QFIPXVFZSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066178616 1408787614 /nfs/dbraw/zinc/78/76/14/1408787614.db2.gz IDYKZMZFZZAPSN-KNQAVFIVSA-N 2 0 384.568 3.298 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000066178598 1408787657 /nfs/dbraw/zinc/78/76/57/1408787657.db2.gz IQCIYARCMHWFJK-JOCHJYFZSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000066178600 1408787675 /nfs/dbraw/zinc/78/76/75/1408787675.db2.gz QZZMNAKNFAWIPX-KNQAVFIVSA-N 2 0 384.568 3.441 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066191680 1408789551 /nfs/dbraw/zinc/78/95/51/1408789551.db2.gz FJUKABLKGWMTGQ-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000066394906 1408829772 /nfs/dbraw/zinc/82/97/72/1408829772.db2.gz DVHMHGSHPXPGGZ-LJQANCHMSA-N 2 0 375.532 3.371 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000066395066 1408830166 /nfs/dbraw/zinc/83/01/66/1408830166.db2.gz SKMQAMKCMCZZHI-UHFFFAOYSA-N 2 0 386.584 3.163 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000066840412 1408925717 /nfs/dbraw/zinc/92/57/17/1408925717.db2.gz VNRKAUPKZALRRH-HXUWFJFHSA-N 2 0 386.540 3.314 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)cc2)CC1 ZINC000066960852 1408963502 /nfs/dbraw/zinc/96/35/02/1408963502.db2.gz URBOKEBCJNESFJ-UHFFFAOYSA-N 2 0 375.557 3.098 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960599 1408963912 /nfs/dbraw/zinc/96/39/12/1408963912.db2.gz PEGFXNXHBLDOFU-SFHVURJKSA-N 2 0 377.548 3.317 20 0 GGADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc[nH]n3)CC2)c1 ZINC000066972679 1408969458 /nfs/dbraw/zinc/96/94/58/1408969458.db2.gz ZUKCNXTVRUGHHD-UHFFFAOYSA-N 2 0 381.446 3.121 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066994768 1408974488 /nfs/dbraw/zinc/97/44/88/1408974488.db2.gz MDNARBNSOKKBMM-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccco1 ZINC000067003496 1408977817 /nfs/dbraw/zinc/97/78/17/1408977817.db2.gz SJBPPXSKEMDALY-ZWKOTPCHSA-N 2 0 388.512 3.392 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000067120211 1409013348 /nfs/dbraw/zinc/01/33/48/1409013348.db2.gz RFCIZZSNTHNOJU-INIZCTEOSA-N 2 0 375.891 3.303 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccccc3OC3CCCC3)ccn2)CC1 ZINC000067189112 1409036632 /nfs/dbraw/zinc/03/66/32/1409036632.db2.gz YYZPWPPURQZWOA-UHFFFAOYSA-N 2 0 380.536 3.445 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000067222666 1409046614 /nfs/dbraw/zinc/04/66/14/1409046614.db2.gz FMUOVSMZICLRGN-KRWDZBQOSA-N 2 0 384.524 3.070 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000176604375 1428377505 /nfs/dbraw/zinc/37/75/05/1428377505.db2.gz KCEMIARGGBNCRE-FGZHOGPDSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000067507198 1409140202 /nfs/dbraw/zinc/14/02/02/1409140202.db2.gz XXAGOLKDRYJPPN-QGZVFWFLSA-N 2 0 384.524 3.068 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067658387 1409199417 /nfs/dbraw/zinc/19/94/17/1409199417.db2.gz ZRPOMNSQALIKGD-QHCPKHFHSA-N 2 0 392.547 3.350 20 0 GGADRP CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000067668728 1409203299 /nfs/dbraw/zinc/20/32/99/1409203299.db2.gz VZHRUXWOIPLNTH-UHFFFAOYSA-N 2 0 381.520 3.201 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000067671440 1409203777 /nfs/dbraw/zinc/20/37/77/1409203777.db2.gz SAOFNCQJFUKHLZ-NRFANRHFSA-N 2 0 396.579 3.393 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000067671585 1409203836 /nfs/dbraw/zinc/20/38/36/1409203836.db2.gz QUYKMGSXUJRTPO-INIZCTEOSA-N 2 0 398.389 3.354 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000067683792 1409206454 /nfs/dbraw/zinc/20/64/54/1409206454.db2.gz YVGSHISVXPARFL-PMACEKPBSA-N 2 0 386.584 3.448 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000067684342 1409206532 /nfs/dbraw/zinc/20/65/32/1409206532.db2.gz RUQQKJIAEONATQ-UGKGYDQZSA-N 2 0 386.584 3.448 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000067734556 1409217376 /nfs/dbraw/zinc/21/73/76/1409217376.db2.gz RGBBJRIICMHQPQ-NRFANRHFSA-N 2 0 384.568 3.168 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000176628491 1428384139 /nfs/dbraw/zinc/38/41/39/1428384139.db2.gz BGAHIBQDHQARIK-FGZHOGPDSA-N 2 0 386.584 3.414 20 0 GGADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068444103 1409404397 /nfs/dbraw/zinc/40/43/97/1409404397.db2.gz HLSQOVVYENDJBE-UHFFFAOYSA-N 2 0 385.474 3.470 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068449855 1409405776 /nfs/dbraw/zinc/40/57/76/1409405776.db2.gz CLBCSHNWUMIKOT-IBGZPJMESA-N 2 0 375.532 3.418 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000068581852 1409444697 /nfs/dbraw/zinc/44/46/97/1409444697.db2.gz IPKNEGGPDPIKSA-LJQANCHMSA-N 2 0 392.563 3.411 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000068581858 1409444728 /nfs/dbraw/zinc/44/47/28/1409444728.db2.gz IPKNEGGPDPIKSA-IBGZPJMESA-N 2 0 392.563 3.411 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000068580508 1409444774 /nfs/dbraw/zinc/44/47/74/1409444774.db2.gz XAJFAZQVHYXYKF-UHFFFAOYSA-N 2 0 378.536 3.019 20 0 GGADRP C[C@@H](CC[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068592724 1409447016 /nfs/dbraw/zinc/44/70/16/1409447016.db2.gz VHGOPFKCGRDVPV-HNNXBMFYSA-N 2 0 388.478 3.119 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000069680361 1409674391 /nfs/dbraw/zinc/67/43/91/1409674391.db2.gz VRPPLSNAIVUSCV-UHFFFAOYSA-N 2 0 383.414 3.253 20 0 GGADRP CC(C)(C)n1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000069748074 1409691306 /nfs/dbraw/zinc/69/13/06/1409691306.db2.gz GWRLZAXJZSYYMW-UHFFFAOYSA-N 2 0 383.584 3.326 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC000069833274 1409711696 /nfs/dbraw/zinc/71/16/96/1409711696.db2.gz HCCOYCVPZKKTHX-HDICACEKSA-N 2 0 382.504 3.357 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000070870204 1409794369 /nfs/dbraw/zinc/79/43/69/1409794369.db2.gz AZDBPKRDPBDTOH-MRXNPFEDSA-N 2 0 383.492 3.374 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720306 1428433370 /nfs/dbraw/zinc/43/33/70/1428433370.db2.gz WAMHKOVIGILPIM-UNMCSNQZSA-N 2 0 399.579 3.191 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000071913347 1409829972 /nfs/dbraw/zinc/82/99/72/1409829972.db2.gz MABAUZNIISJSCX-LJQANCHMSA-N 2 0 386.565 3.446 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000072025992 1409838240 /nfs/dbraw/zinc/83/82/40/1409838240.db2.gz FGQIGYXLQXHLCC-KURKYZTESA-N 2 0 378.586 3.305 20 0 GGADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072027849 1409838787 /nfs/dbraw/zinc/83/87/87/1409838787.db2.gz WRFSBJDAQYXMQT-FQEVSTJZSA-N 2 0 387.593 3.129 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044422 1409840643 /nfs/dbraw/zinc/84/06/43/1409840643.db2.gz OINOHNPYLYKKOJ-ZWKOTPCHSA-N 2 0 378.586 3.305 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000073054700 1409857541 /nfs/dbraw/zinc/85/75/41/1409857541.db2.gz GKEBQTQWHNGAFZ-UHFFFAOYSA-N 2 0 384.568 3.278 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000073620355 1409863329 /nfs/dbraw/zinc/86/33/29/1409863329.db2.gz UCJOCYKBFWHSHW-YADHBBJMSA-N 2 0 384.568 3.297 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000073788441 1409865496 /nfs/dbraw/zinc/86/54/96/1409865496.db2.gz PCKODLNPXHAYAN-RBBKRZOGSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000073788438 1409865511 /nfs/dbraw/zinc/86/55/11/1409865511.db2.gz PCKODLNPXHAYAN-IRLDBZIGSA-N 2 0 386.584 3.272 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073874629 1409866391 /nfs/dbraw/zinc/86/63/91/1409866391.db2.gz SQPIPSSPKHLPRV-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000073897634 1409866632 /nfs/dbraw/zinc/86/66/32/1409866632.db2.gz YTJXAELURZGHEF-RBBKRZOGSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000073897632 1409866829 /nfs/dbraw/zinc/86/68/29/1409866829.db2.gz YTJXAELURZGHEF-IRLDBZIGSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000074008402 1409868591 /nfs/dbraw/zinc/86/85/91/1409868591.db2.gz GVJSKQOQIYWALT-UXHICEINSA-N 2 0 378.605 3.403 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000074103604 1409869538 /nfs/dbraw/zinc/86/95/38/1409869538.db2.gz ZSEVEIKWXIPEFS-UNMCSNQZSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000074193517 1409870377 /nfs/dbraw/zinc/87/03/77/1409870377.db2.gz CNJVCVQZSFIEOE-IBGZPJMESA-N 2 0 377.598 3.184 20 0 GGADRP Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c(C[NH+](C)C)c1 ZINC000074677766 1409875331 /nfs/dbraw/zinc/87/53/31/1409875331.db2.gz ANJCBKFWRMOVSX-UHFFFAOYSA-N 2 0 380.536 3.207 20 0 GGADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[NH+](C)C)cc1 ZINC000074833175 1409877148 /nfs/dbraw/zinc/87/71/48/1409877148.db2.gz GMTJJQWYKGQYOL-RBBKRZOGSA-N 2 0 386.584 3.225 20 0 GGADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000074850592 1409877547 /nfs/dbraw/zinc/87/75/47/1409877547.db2.gz LBZMHKBRHFCGHD-LEWJYISDSA-N 2 0 378.605 3.116 20 0 GGADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074891290 1409878686 /nfs/dbraw/zinc/87/86/86/1409878686.db2.gz JEPAYFNYGPWJCX-QUCCMNQESA-N 2 0 386.584 3.489 20 0 GGADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000074879574 1409878791 /nfs/dbraw/zinc/87/87/91/1409878791.db2.gz HUBGGQBCHBIUMN-AZUAARDMSA-N 2 0 378.605 3.260 20 0 GGADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000075762887 1409882594 /nfs/dbraw/zinc/88/25/94/1409882594.db2.gz REIPEMOUMAWPJD-JOCHJYFZSA-N 2 0 382.552 3.022 20 0 GGADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000075814437 1409883289 /nfs/dbraw/zinc/88/32/89/1409883289.db2.gz MYRSEFRUOVJMKW-UHFFFAOYSA-N 2 0 386.584 3.115 20 0 GGADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC000075944253 1409884150 /nfs/dbraw/zinc/88/41/50/1409884150.db2.gz UCWUGKLECIWDLH-FQEVSTJZSA-N 2 0 375.463 3.366 20 0 GGADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3)c2)CC1 ZINC000076400241 1409888470 /nfs/dbraw/zinc/88/84/70/1409888470.db2.gz KOHIMRFXEVSSNL-UHFFFAOYSA-N 2 0 375.463 3.325 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000076776604 1409891314 /nfs/dbraw/zinc/89/13/14/1409891314.db2.gz QPBITIUPZZFMJH-UHFFFAOYSA-N 2 0 375.513 3.188 20 0 GGADRP CCCC[N@H+](C)CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000077695211 1409898907 /nfs/dbraw/zinc/89/89/07/1409898907.db2.gz DHQRPDOPGOYFJK-UHFFFAOYSA-N 2 0 378.586 3.131 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000077712092 1409898969 /nfs/dbraw/zinc/89/89/69/1409898969.db2.gz KYIPNYMGSMSQHN-QFIPXVFZSA-N 2 0 380.536 3.212 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000077763979 1409899697 /nfs/dbraw/zinc/89/96/97/1409899697.db2.gz VFXOBUFWHLWUMP-DENIHFKCSA-N 2 0 384.568 3.441 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000077763954 1409899899 /nfs/dbraw/zinc/89/98/99/1409899899.db2.gz HNLZXCYPEDTBIQ-JOCHJYFZSA-N 2 0 384.568 3.298 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000077789680 1409900516 /nfs/dbraw/zinc/90/05/16/1409900516.db2.gz WNQLZMQJQSZVBJ-UHFFFAOYSA-N 2 0 380.536 3.343 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077799926 1409901818 /nfs/dbraw/zinc/90/18/18/1409901818.db2.gz KYDRYHBVXPNHBB-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077811151 1409901960 /nfs/dbraw/zinc/90/19/60/1409901960.db2.gz UNAPDHMOCNOJBK-UNMCSNQZSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000078462685 1409919668 /nfs/dbraw/zinc/91/96/68/1409919668.db2.gz VAKJKUKBEVLLOJ-UHFFFAOYSA-N 2 0 386.584 3.257 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000078522877 1409924033 /nfs/dbraw/zinc/92/40/33/1409924033.db2.gz BREFJFJZYVWGHK-MSOLQXFVSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000078668227 1409931995 /nfs/dbraw/zinc/93/19/95/1409931995.db2.gz MWVWRDDXABDLKU-UXHICEINSA-N 2 0 386.584 3.256 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000079097502 1409957007 /nfs/dbraw/zinc/95/70/07/1409957007.db2.gz VTCXOZYSCXTHQX-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000079168471 1409961441 /nfs/dbraw/zinc/96/14/41/1409961441.db2.gz AZHFXDDNUSWINJ-JOCHJYFZSA-N 2 0 384.568 3.229 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251091 1409963976 /nfs/dbraw/zinc/96/39/76/1409963976.db2.gz TXEUFRQXTNWGKZ-RTBURBONSA-N 2 0 378.586 3.401 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079224243 1409964485 /nfs/dbraw/zinc/96/44/85/1409964485.db2.gz WLDJTNOOUVRZKL-QZTJIDSGSA-N 2 0 376.570 3.155 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080064803 1409999665 /nfs/dbraw/zinc/99/96/65/1409999665.db2.gz JLEHVGQXXOWNEX-UGKGYDQZSA-N 2 0 386.584 3.459 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000080073027 1410000574 /nfs/dbraw/zinc/00/05/74/1410000574.db2.gz YGKNGYFZTGYPMD-IBGZPJMESA-N 2 0 380.602 3.408 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080164987 1410001732 /nfs/dbraw/zinc/00/17/32/1410001732.db2.gz CANVQDIMRGSKLC-HJNYFJLDSA-N 2 0 384.568 3.309 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080157095 1410001830 /nfs/dbraw/zinc/00/18/30/1410001830.db2.gz PWFYZKOUMHMBFT-NYLDSWQDSA-N 2 0 376.589 3.347 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165726 1410002136 /nfs/dbraw/zinc/00/21/36/1410002136.db2.gz SZOUCCJXDPNBQM-FPOVZHCZSA-N 2 0 384.568 3.309 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000080218853 1410003627 /nfs/dbraw/zinc/00/36/27/1410003627.db2.gz MJFHNQZMWIXBCN-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080373776 1410005208 /nfs/dbraw/zinc/00/52/08/1410005208.db2.gz RVHMKZYVWXITDT-UHFFFAOYSA-N 2 0 375.557 3.190 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000080650614 1410009067 /nfs/dbraw/zinc/00/90/67/1410009067.db2.gz SUUHKEKPJNSDMB-RTBURBONSA-N 2 0 375.557 3.075 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000081333734 1410018032 /nfs/dbraw/zinc/01/80/32/1410018032.db2.gz AHSHVLMUEYJLDV-WOJBJXKFSA-N 2 0 375.532 3.228 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000081361705 1410018539 /nfs/dbraw/zinc/01/85/39/1410018539.db2.gz URGGJSWYLZYNIF-FQEVSTJZSA-N 2 0 386.584 3.021 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000084442091 1410036574 /nfs/dbraw/zinc/03/65/74/1410036574.db2.gz SVCZNCKZYHUDOZ-GOSISDBHSA-N 2 0 378.586 3.086 20 0 GGADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(C)(C)C[NH+](C)C ZINC000085360082 1410039945 /nfs/dbraw/zinc/03/99/45/1410039945.db2.gz VCYDCIBBHSLHGO-MRXNPFEDSA-N 2 0 380.602 3.236 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000085389926 1410040591 /nfs/dbraw/zinc/04/05/91/1410040591.db2.gz WGMAYKYXMSYYRR-SIKLNZKXSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215296 1410052463 /nfs/dbraw/zinc/05/24/63/1410052463.db2.gz DBGSLCJLDNJWGY-XXBNENTESA-N 2 0 379.552 3.193 20 0 GGADRP Cc1cccc(C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CC2)c1 ZINC000090038867 1410060880 /nfs/dbraw/zinc/06/08/80/1410060880.db2.gz VANKBVMJUGPNDN-HSZRJFAPSA-N 2 0 379.548 3.397 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000090038618 1410060894 /nfs/dbraw/zinc/06/08/94/1410060894.db2.gz UWPHWLQKFLWNDP-FQEVSTJZSA-N 2 0 375.463 3.497 20 0 GGADRP COCc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525210 1410063968 /nfs/dbraw/zinc/06/39/68/1410063968.db2.gz CMEBJXYCSUCIHD-CZAAIQMYSA-N 2 0 376.541 3.260 20 0 GGADRP COCc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525201 1410064485 /nfs/dbraw/zinc/06/44/85/1410064485.db2.gz CMEBJXYCSUCIHD-DQLDELGASA-N 2 0 376.541 3.260 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524153 1410064668 /nfs/dbraw/zinc/06/46/68/1410064668.db2.gz CQGDZTPDFOGFBP-WTOYTKOKSA-N 2 0 376.541 3.130 20 0 GGADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(OC)cc3)C3CC3)cn2)CC1 ZINC000091286988 1410072655 /nfs/dbraw/zinc/07/26/55/1410072655.db2.gz QMRBWCJCNXPXOV-QHCPKHFHSA-N 2 0 380.536 3.473 20 0 GGADRP CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000091952874 1410095250 /nfs/dbraw/zinc/09/52/50/1410095250.db2.gz PLYFJQLBZXSRCI-UHFFFAOYSA-N 2 0 387.568 3.240 20 0 GGADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092400058 1410150302 /nfs/dbraw/zinc/15/03/02/1410150302.db2.gz QHSSCPYOIXFYIG-AZUAARDMSA-N 2 0 375.557 3.144 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092426854 1410157143 /nfs/dbraw/zinc/15/71/43/1410157143.db2.gz UUXDYYLVLVEION-AATRIKPKSA-N 2 0 375.532 3.255 20 0 GGADRP CCCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426882 1410157177 /nfs/dbraw/zinc/15/71/77/1410157177.db2.gz CMXRRNCKPCMTNW-UHFFFAOYSA-N 2 0 389.584 3.391 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000092426929 1410157348 /nfs/dbraw/zinc/15/73/48/1410157348.db2.gz YMMGGFVPUINAFJ-UHFFFAOYSA-N 2 0 394.629 3.357 20 0 GGADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092488851 1410162555 /nfs/dbraw/zinc/16/25/55/1410162555.db2.gz HZYPBDVHRGZDND-SFHVURJKSA-N 2 0 375.561 3.060 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000092567404 1410174009 /nfs/dbraw/zinc/17/40/09/1410174009.db2.gz AOINOOIKCQJOHX-WXDAQCLHSA-N 2 0 380.573 3.244 20 0 GGADRP CCN(CC)c1ncc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000092586986 1410175333 /nfs/dbraw/zinc/17/53/33/1410175333.db2.gz VDLRUELQZNTJQM-IAGOWNOFSA-N 2 0 380.602 3.311 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(OC)c1OC ZINC000092587137 1410176389 /nfs/dbraw/zinc/17/63/89/1410176389.db2.gz PKSYCKCNXPPZTF-IAGOWNOFSA-N 2 0 392.540 3.034 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000092615534 1410180090 /nfs/dbraw/zinc/18/00/90/1410180090.db2.gz JIMUPGBNNAEXIJ-UHFFFAOYSA-N 2 0 389.540 3.444 20 0 GGADRP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)o1 ZINC000092615695 1410180236 /nfs/dbraw/zinc/18/02/36/1410180236.db2.gz DNXRFZAJLYHLBE-UHFFFAOYSA-N 2 0 387.499 3.284 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000092615532 1410180407 /nfs/dbraw/zinc/18/04/07/1410180407.db2.gz XNYCXJFSKONHNZ-UHFFFAOYSA-N 2 0 389.540 3.444 20 0 GGADRP Cc1ccc(CNC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092821129 1410203978 /nfs/dbraw/zinc/20/39/78/1410203978.db2.gz LBXFENLHVDSRKE-UHFFFAOYSA-N 2 0 380.536 3.245 20 0 GGADRP CN(Cc1ccccc1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821061 1410204109 /nfs/dbraw/zinc/20/41/09/1410204109.db2.gz KPFUZIWJJMCIKH-UHFFFAOYSA-N 2 0 380.536 3.279 20 0 GGADRP CC(C)[NH+](CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000093135838 1410225264 /nfs/dbraw/zinc/22/52/64/1410225264.db2.gz HFUOFEPCYCAEFH-UHFFFAOYSA-N 2 0 375.561 3.106 20 0 GGADRP COc1ccc([C@H](CO)[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000093415602 1410244726 /nfs/dbraw/zinc/24/47/26/1410244726.db2.gz JVVUHOVUJUQKNX-DEOSSOPVSA-N 2 0 397.563 3.391 20 0 GGADRP Cn1ccnc1[C@H](O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093454838 1410246924 /nfs/dbraw/zinc/24/69/24/1410246924.db2.gz GQLVRACOMGEOGR-OAQYLSRUSA-N 2 0 384.568 3.324 20 0 GGADRP Cn1ccnc1[C@@H](O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093454837 1410247048 /nfs/dbraw/zinc/24/70/48/1410247048.db2.gz GQLVRACOMGEOGR-NRFANRHFSA-N 2 0 384.568 3.324 20 0 GGADRP O=C1CCCCN1C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093741837 1410262524 /nfs/dbraw/zinc/26/25/24/1410262524.db2.gz NWAJRIYHQUJXHV-UHFFFAOYSA-N 2 0 385.552 3.138 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@@H](C)O1 ZINC000093844270 1410274443 /nfs/dbraw/zinc/27/44/43/1410274443.db2.gz OLQLCEKPLRIFNF-RTBURBONSA-N 2 0 397.567 3.193 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@H](C)O1 ZINC000093844418 1410274564 /nfs/dbraw/zinc/27/45/64/1410274564.db2.gz XEFANQODLGVPBT-KDURUIRLSA-N 2 0 397.567 3.193 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@@H](C)O1 ZINC000093844297 1410274639 /nfs/dbraw/zinc/27/46/39/1410274639.db2.gz VJCSDPNNTUFWAT-WOJBJXKFSA-N 2 0 386.584 3.393 20 0 GGADRP COc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000093844328 1410274847 /nfs/dbraw/zinc/27/48/47/1410274847.db2.gz KXLBWFFRTCBLAI-HDICACEKSA-N 2 0 376.541 3.415 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844494 1410275030 /nfs/dbraw/zinc/27/50/30/1410275030.db2.gz KCRNICMDOWDHLT-QZTJIDSGSA-N 2 0 376.589 3.256 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844404 1410275234 /nfs/dbraw/zinc/27/52/34/1410275234.db2.gz INMDPDDRVKAEIU-ROUUACIJSA-N 2 0 383.540 3.183 20 0 GGADRP COc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1OC ZINC000093844330 1410275497 /nfs/dbraw/zinc/27/54/97/1410275497.db2.gz KXLBWFFRTCBLAI-QZTJIDSGSA-N 2 0 376.541 3.415 20 0 GGADRP CN(c1ccccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C)C1CC[NH+](C)CC1 ZINC000093864099 1410275508 /nfs/dbraw/zinc/27/55/08/1410275508.db2.gz YJUSWKKGWBGPLQ-JOCHJYFZSA-N 2 0 381.568 3.460 20 0 GGADRP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC(C)(C)[NH2+]1 ZINC000096626719 1410335459 /nfs/dbraw/zinc/33/54/59/1410335459.db2.gz AILCVMKVUDUFOE-KRWDZBQOSA-N 2 0 375.532 3.463 20 0 GGADRP Cc1cnc(NC[C@H](c2ccco2)[NH+](C)C)nc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000176813020 1428476337 /nfs/dbraw/zinc/47/63/37/1428476337.db2.gz VIAACACQJGCTDN-DLBZAZTESA-N 2 0 398.511 3.401 20 0 GGADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000097257191 1410360765 /nfs/dbraw/zinc/36/07/65/1410360765.db2.gz ULSWTHAHDZLNBG-SFHVURJKSA-N 2 0 390.572 3.396 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000097357727 1410365860 /nfs/dbraw/zinc/36/58/60/1410365860.db2.gz RUZPAPBZAAKKBM-DHIUTWEWSA-N 2 0 394.563 3.296 20 0 GGADRP COc1cccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000097357808 1410366149 /nfs/dbraw/zinc/36/61/49/1410366149.db2.gz CSQQMONNKNYXTR-NRFANRHFSA-N 2 0 390.572 3.252 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000097437682 1410369721 /nfs/dbraw/zinc/36/97/21/1410369721.db2.gz RXVHVRHAUVENCP-UHFFFAOYSA-N 2 0 396.645 3.159 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000097549245 1410375562 /nfs/dbraw/zinc/37/55/62/1410375562.db2.gz RIAYQESQFDWBOL-ZEQRLZLVSA-N 2 0 391.559 3.332 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101591539 1410474431 /nfs/dbraw/zinc/47/44/31/1410474431.db2.gz QCKCPWFSWZQJIY-UHFFFAOYSA-N 2 0 395.595 3.341 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000101661389 1410487312 /nfs/dbraw/zinc/48/73/12/1410487312.db2.gz IWRQDYHMZQEHMP-QRVBRYPASA-N 2 0 387.568 3.285 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000101993445 1410538707 /nfs/dbraw/zinc/53/87/07/1410538707.db2.gz IPFURKDJHMLBQS-QZTJIDSGSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000101993448 1410538843 /nfs/dbraw/zinc/53/88/43/1410538843.db2.gz IPFURKDJHMLBQS-ZWKOTPCHSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC(C)CC1 ZINC000102005824 1410542004 /nfs/dbraw/zinc/54/20/04/1410542004.db2.gz PEYXQLQRBTWMKX-OALUTQOASA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCC(C)CC1 ZINC000102005837 1410542043 /nfs/dbraw/zinc/54/20/43/1410542043.db2.gz ITXVMPJBOCIDPX-SFHVURJKSA-N 2 0 392.613 3.380 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)[NH+](C)C)cc1 ZINC000102005359 1410542063 /nfs/dbraw/zinc/54/20/63/1410542063.db2.gz PVQVECIZCCEFLK-OAQYLSRUSA-N 2 0 398.551 3.038 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000102037485 1410548130 /nfs/dbraw/zinc/54/81/30/1410548130.db2.gz RBADEIYWIYYRCP-LJQANCHMSA-N 2 0 376.545 3.289 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+]2CCCC2)o1 ZINC000102039167 1410549474 /nfs/dbraw/zinc/54/94/74/1410549474.db2.gz AOSJESCDMMKGEL-IBGZPJMESA-N 2 0 376.545 3.337 20 0 GGADRP COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000102543465 1410647546 /nfs/dbraw/zinc/64/75/46/1410647546.db2.gz QVNCFNTXQROHKV-UHFFFAOYSA-N 2 0 389.565 3.063 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000102559502 1410651378 /nfs/dbraw/zinc/65/13/78/1410651378.db2.gz BRBIIVLNHIAYNX-QGZVFWFLSA-N 2 0 377.529 3.133 20 0 GGADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000103125605 1410829840 /nfs/dbraw/zinc/82/98/40/1410829840.db2.gz WURGMSJADLZVDF-QHCPKHFHSA-N 2 0 395.547 3.298 20 0 GGADRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000103173660 1410834068 /nfs/dbraw/zinc/83/40/68/1410834068.db2.gz JQRNKRCQQNCFAN-HXUWFJFHSA-N 2 0 375.520 3.136 20 0 GGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000103173590 1410834183 /nfs/dbraw/zinc/83/41/83/1410834183.db2.gz RZYYHSUQESNTEB-QFIPXVFZSA-N 2 0 379.548 3.177 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)c1ccccc1 ZINC000103205133 1410837253 /nfs/dbraw/zinc/83/72/53/1410837253.db2.gz DKSMWZIZTGSMAE-JTHBVZDNSA-N 2 0 379.548 3.360 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000103229204 1410838598 /nfs/dbraw/zinc/83/85/98/1410838598.db2.gz YNHVMPHWJGJXNM-SFHVURJKSA-N 2 0 387.524 3.332 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103268273 1410842164 /nfs/dbraw/zinc/84/21/64/1410842164.db2.gz IZPKHEWTEVHCCO-QHCPKHFHSA-N 2 0 394.563 3.112 20 0 GGADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C[NH+]1CCCCC1 ZINC000103308940 1410845653 /nfs/dbraw/zinc/84/56/53/1410845653.db2.gz YDVWHSJITWPYJZ-RTWAWAEBSA-N 2 0 378.605 3.262 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C[NH+]1CCCCC1 ZINC000103308951 1410845709 /nfs/dbraw/zinc/84/57/09/1410845709.db2.gz YDVWHSJITWPYJZ-LEWJYISDSA-N 2 0 378.605 3.262 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321101 1410847012 /nfs/dbraw/zinc/84/70/12/1410847012.db2.gz IOFIZKPQNJWPDS-UHFFFAOYSA-N 2 0 380.964 3.145 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000176906698 1428517292 /nfs/dbraw/zinc/51/72/92/1428517292.db2.gz SHJDARIVAHMROK-UHFFFAOYSA-N 2 0 398.551 3.190 20 0 GGADRP C[N@H+](CCOc1cccc(CNC(=[NH2+])Nc2ccccc2)c1)C1CCOCC1 ZINC000103338721 1410849770 /nfs/dbraw/zinc/84/97/70/1410849770.db2.gz VGAQFLPUVMXKEP-UHFFFAOYSA-N 2 0 382.508 3.313 20 0 GGADRP CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000103462098 1410859811 /nfs/dbraw/zinc/85/98/11/1410859811.db2.gz JGYXEACGNJXJAK-GOSISDBHSA-N 2 0 396.649 3.458 20 0 GGADRP CC[NH+](Cc1cnn(C)c1)Cc1ccc(C[N@H+](CC)Cc2cnn(C)c2)cc1 ZINC000103474577 1410861633 /nfs/dbraw/zinc/86/16/33/1410861633.db2.gz VVGHACREGDSRAU-UHFFFAOYSA-N 2 0 380.540 3.198 20 0 GGADRP CC[NH+](Cc1cnn(C)c1)Cc1ccccc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000103474253 1410861692 /nfs/dbraw/zinc/86/16/92/1410861692.db2.gz KWOCIQCXYJMRPR-UHFFFAOYSA-N 2 0 380.540 3.198 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000103481174 1410862673 /nfs/dbraw/zinc/86/26/73/1410862673.db2.gz KVSVRMLAVKMNNZ-IAGOWNOFSA-N 2 0 393.959 3.490 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103508416 1410864858 /nfs/dbraw/zinc/86/48/58/1410864858.db2.gz XELRBGSTUHJYBX-NRFANRHFSA-N 2 0 390.572 3.061 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000103510203 1410865182 /nfs/dbraw/zinc/86/51/82/1410865182.db2.gz VGEULNWNBJVVAJ-IBGZPJMESA-N 2 0 386.584 3.402 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000103513449 1410865390 /nfs/dbraw/zinc/86/53/90/1410865390.db2.gz JJFRVZXBXOUXEG-QFIPXVFZSA-N 2 0 386.584 3.443 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000104040458 1410882653 /nfs/dbraw/zinc/88/26/53/1410882653.db2.gz PYKYVWDOZVVGSU-JOCHJYFZSA-N 2 0 380.536 3.245 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000104272924 1410890039 /nfs/dbraw/zinc/89/00/39/1410890039.db2.gz ZYCKNDFJDOOWGW-FQEVSTJZSA-N 2 0 386.540 3.314 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000105113286 1411029891 /nfs/dbraw/zinc/02/98/91/1411029891.db2.gz RINKLGKQVMTAIE-SIKLNZKXSA-N 2 0 386.584 3.450 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000105113367 1411030068 /nfs/dbraw/zinc/03/00/68/1411030068.db2.gz PAHGYPFSZKMLDN-PMACEKPBSA-N 2 0 386.584 3.450 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000105112913 1411030320 /nfs/dbraw/zinc/03/03/20/1411030320.db2.gz CELVBEMRYTXMPT-FQEVSTJZSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105118795 1411030774 /nfs/dbraw/zinc/03/07/74/1411030774.db2.gz KQXQGNKRVOPNKR-JOCHJYFZSA-N 2 0 384.568 3.442 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105118799 1411031201 /nfs/dbraw/zinc/03/12/01/1411031201.db2.gz KQXQGNKRVOPNKR-QFIPXVFZSA-N 2 0 384.568 3.442 20 0 GGADRP CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+]1CCc2ccccc2C1 ZINC000105126191 1411032042 /nfs/dbraw/zinc/03/20/42/1411032042.db2.gz WBARUAPVIRULDL-DENIHFKCSA-N 2 0 386.584 3.243 20 0 GGADRP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000105131625 1411032646 /nfs/dbraw/zinc/03/26/46/1411032646.db2.gz BWOQFEUDCGEUSS-HNNXBMFYSA-N 2 0 398.498 3.016 20 0 GGADRP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131817 1411032706 /nfs/dbraw/zinc/03/27/06/1411032706.db2.gz ZBUMRNXIEZQNSE-OAHLLOKOSA-N 2 0 398.498 3.016 20 0 GGADRP O=C(NCCCCNc1ccccn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129971 1411033017 /nfs/dbraw/zinc/03/30/17/1411033017.db2.gz WYVKSDWVYRSJGX-FQEVSTJZSA-N 2 0 381.524 3.410 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000105165735 1411037405 /nfs/dbraw/zinc/03/74/05/1411037405.db2.gz PGPDXNQSVYDVJJ-XLIONFOSSA-N 2 0 388.556 3.004 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000105222226 1411044057 /nfs/dbraw/zinc/04/40/57/1411044057.db2.gz YKXUGNSYCQEOAW-UXHICEINSA-N 2 0 388.556 3.385 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000105241559 1411046954 /nfs/dbraw/zinc/04/69/54/1411046954.db2.gz QPWRJDBPRBGVSE-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000105352528 1411057085 /nfs/dbraw/zinc/05/70/85/1411057085.db2.gz AGNZRAKSHVZXMW-UHFFFAOYSA-N 2 0 376.545 3.402 20 0 GGADRP CCn1nc(C)c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1C ZINC000105420549 1411064793 /nfs/dbraw/zinc/06/47/93/1411064793.db2.gz HPRWHSPEJPTKOX-UHFFFAOYSA-N 2 0 383.584 3.207 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105441786 1411066345 /nfs/dbraw/zinc/06/63/45/1411066345.db2.gz UPEXISLEIPCTEW-HXUWFJFHSA-N 2 0 382.552 3.024 20 0 GGADRP C[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)CN1CC[NH+](C)CC1 ZINC000105439636 1411066453 /nfs/dbraw/zinc/06/64/53/1411066453.db2.gz JMXITYFWCPHGJW-CQSZACIVSA-N 2 0 384.351 3.242 20 0 GGADRP C[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)CN1CC[NH+](C)CC1 ZINC000105439632 1411066579 /nfs/dbraw/zinc/06/65/79/1411066579.db2.gz JMXITYFWCPHGJW-AWEZNQCLSA-N 2 0 384.351 3.242 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000105450811 1411067662 /nfs/dbraw/zinc/06/76/62/1411067662.db2.gz XMFBBHBABLJXTQ-UHFFFAOYSA-N 2 0 395.551 3.197 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000105451347 1411067736 /nfs/dbraw/zinc/06/77/36/1411067736.db2.gz IKRUMBAXWSOJRL-UHFFFAOYSA-N 2 0 375.948 3.093 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc12 ZINC000105462776 1411068679 /nfs/dbraw/zinc/06/86/79/1411068679.db2.gz PGZDUXJSCCZXCW-OAHLLOKOSA-N 2 0 396.514 3.018 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)N1CC[NH+](C)CC1 ZINC000105465701 1411068864 /nfs/dbraw/zinc/06/88/64/1411068864.db2.gz YLVPJNMIFIZQMN-INIZCTEOSA-N 2 0 375.463 3.483 20 0 GGADRP CCOc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000105467622 1411069673 /nfs/dbraw/zinc/06/96/73/1411069673.db2.gz YKMVJDHTEGPWGQ-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1CC[NH+](C)CC1 ZINC000105466747 1411070061 /nfs/dbraw/zinc/07/00/61/1411070061.db2.gz UEZWUZNSMCHBRV-AWEZNQCLSA-N 2 0 392.887 3.234 20 0 GGADRP COc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000105467000 1411070196 /nfs/dbraw/zinc/07/01/96/1411070196.db2.gz MQWGYLWUDBFMPK-QGZVFWFLSA-N 2 0 389.565 3.061 20 0 GGADRP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1cccc2ccccc21 ZINC000106126305 1411172716 /nfs/dbraw/zinc/17/27/16/1411172716.db2.gz YSQSMXVWFFZWFB-IBGZPJMESA-N 2 0 397.563 3.217 20 0 GGADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000106486033 1411223860 /nfs/dbraw/zinc/22/38/60/1411223860.db2.gz XABXESSWHHCWCN-FQEVSTJZSA-N 2 0 389.547 3.265 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000106550358 1411243013 /nfs/dbraw/zinc/24/30/13/1411243013.db2.gz KDLARSPVZPCXHA-QZTJIDSGSA-N 2 0 390.597 3.276 20 0 GGADRP C[NH+]1CCC(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000106561268 1411247857 /nfs/dbraw/zinc/24/78/57/1411247857.db2.gz GVXAWBWETVVEPO-UHFFFAOYSA-N 2 0 392.975 3.193 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177024172 1428558167 /nfs/dbraw/zinc/55/81/67/1428558167.db2.gz RMEPBGHLLPDFRF-OAQYLSRUSA-N 2 0 375.532 3.373 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177024184 1428558319 /nfs/dbraw/zinc/55/83/19/1428558319.db2.gz RMEPBGHLLPDFRF-NRFANRHFSA-N 2 0 375.532 3.373 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000107334183 1411361559 /nfs/dbraw/zinc/36/15/59/1411361559.db2.gz RUFRTLADWZZWKH-QGZVFWFLSA-N 2 0 378.586 3.134 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000107334181 1411361838 /nfs/dbraw/zinc/36/18/38/1411361838.db2.gz RUFRTLADWZZWKH-KRWDZBQOSA-N 2 0 378.586 3.134 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000107368277 1411366184 /nfs/dbraw/zinc/36/61/84/1411366184.db2.gz PXQMLXSLSZRTSV-SFHVURJKSA-N 2 0 385.474 3.186 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000107385839 1411369165 /nfs/dbraw/zinc/36/91/65/1411369165.db2.gz XPXBPTLVWUEVFN-UHFFFAOYSA-N 2 0 396.535 3.197 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000107385749 1411369344 /nfs/dbraw/zinc/36/93/44/1411369344.db2.gz NDHIPBGGPOXGJW-SFHVURJKSA-N 2 0 376.545 3.259 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700451 1411399375 /nfs/dbraw/zinc/39/93/75/1411399375.db2.gz AIGHAROAJWYMFN-FGZHOGPDSA-N 2 0 380.536 3.426 20 0 GGADRP CC(C)(CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000107696136 1411399632 /nfs/dbraw/zinc/39/96/32/1411399632.db2.gz YECJTFTUTKJYKF-KRWDZBQOSA-N 2 0 378.586 3.449 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000108413732 1411494434 /nfs/dbraw/zinc/49/44/34/1411494434.db2.gz BQTGRIJRMMXBHO-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP CCCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420753 1411495715 /nfs/dbraw/zinc/49/57/15/1411495715.db2.gz XZXXNGGCFDWJPN-QFIPXVFZSA-N 2 0 395.547 3.463 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4o3)c2)C1 ZINC000108420678 1411495849 /nfs/dbraw/zinc/49/58/49/1411495849.db2.gz XHGKPMDMILTFIT-HXUWFJFHSA-N 2 0 377.488 3.420 20 0 GGADRP CCCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420755 1411496308 /nfs/dbraw/zinc/49/63/08/1411496308.db2.gz XZXXNGGCFDWJPN-JOCHJYFZSA-N 2 0 395.547 3.463 20 0 GGADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000108429119 1411499422 /nfs/dbraw/zinc/49/94/22/1411499422.db2.gz VVKJTOSQMNGQFH-FQEVSTJZSA-N 2 0 375.520 3.425 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000108447396 1411504172 /nfs/dbraw/zinc/50/41/72/1411504172.db2.gz VTYJAPZBMMWTQU-UHFFFAOYSA-N 2 0 378.536 3.163 20 0 GGADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108544942 1411534485 /nfs/dbraw/zinc/53/44/85/1411534485.db2.gz CYXMHMDFNBDLDE-HXUWFJFHSA-N 2 0 390.959 3.088 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108551664 1411536719 /nfs/dbraw/zinc/53/67/19/1411536719.db2.gz XDFKEFGJDTUSDQ-ZCNNSNEGSA-N 2 0 386.584 3.306 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000108551975 1411537008 /nfs/dbraw/zinc/53/70/08/1411537008.db2.gz WCWMRTRTRGIDJR-APWZRJJASA-N 2 0 378.948 3.118 20 0 GGADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000108576499 1411544039 /nfs/dbraw/zinc/54/40/39/1411544039.db2.gz IYRIAAJPWMNECR-SFHVURJKSA-N 2 0 392.975 3.193 20 0 GGADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109014902 1411660956 /nfs/dbraw/zinc/66/09/56/1411660956.db2.gz XJUXHTDWBKZYLH-GGAORHGYSA-N 2 0 395.522 3.428 20 0 GGADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343989 1411745491 /nfs/dbraw/zinc/74/54/91/1411745491.db2.gz CQJDYNJHBOQNAT-OAQYLSRUSA-N 2 0 383.511 3.286 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCc2ccccc2C1 ZINC000109481149 1411771271 /nfs/dbraw/zinc/77/12/71/1411771271.db2.gz WZNZKFZYBFGBQG-NRFANRHFSA-N 2 0 386.584 3.339 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000109903303 1411817625 /nfs/dbraw/zinc/81/76/25/1411817625.db2.gz VXHSVBDBVAVWFZ-FQEVSTJZSA-N 2 0 386.584 3.069 20 0 GGADRP CC(C)C[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110164278 1411835185 /nfs/dbraw/zinc/83/51/85/1411835185.db2.gz UDXFSLSCPXVVNU-FQEVSTJZSA-N 2 0 397.485 3.241 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000111067030 1411885627 /nfs/dbraw/zinc/88/56/27/1411885627.db2.gz POCFDQJKXLWURI-QHCPKHFHSA-N 2 0 394.563 3.456 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000111100466 1411886972 /nfs/dbraw/zinc/88/69/72/1411886972.db2.gz ZZVJSBPHBBWMRC-NRFANRHFSA-N 2 0 387.568 3.221 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000111102335 1411887346 /nfs/dbraw/zinc/88/73/46/1411887346.db2.gz MHLXDHPEVCKROU-QFIPXVFZSA-N 2 0 399.579 3.050 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000111433735 1411954034 /nfs/dbraw/zinc/95/40/34/1411954034.db2.gz TUJRDFNYEQWINL-UYAOXDASSA-N 2 0 384.524 3.236 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000111482165 1411978033 /nfs/dbraw/zinc/97/80/33/1411978033.db2.gz GCPHQVODBKHFAV-GOSISDBHSA-N 2 0 378.586 3.134 20 0 GGADRP C[N@H+](CCC(=O)Nc1cc(N)ccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000177174412 1428613994 /nfs/dbraw/zinc/61/39/94/1428613994.db2.gz KSHXVXRTMODTAR-GOSISDBHSA-N 2 0 384.499 3.190 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000112633151 1412182315 /nfs/dbraw/zinc/18/23/15/1412182315.db2.gz JJMATECTZFRWGB-HXUWFJFHSA-N 2 0 396.535 3.362 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000112631656 1412182660 /nfs/dbraw/zinc/18/26/60/1412182660.db2.gz WVUGYDLBGNIDRB-HDICACEKSA-N 2 0 384.524 3.100 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710200 1412200821 /nfs/dbraw/zinc/20/08/21/1412200821.db2.gz ITEZEHKPVGIUJZ-UHFFFAOYSA-N 2 0 375.891 3.305 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177220592 1428638206 /nfs/dbraw/zinc/63/82/06/1428638206.db2.gz QFRRFQLFUUEDHE-MSOLQXFVSA-N 2 0 381.586 3.100 20 0 GGADRP Cc1ccc(OCc2nc(C[NH2+]CCCC[NH+]3CCN(C)CC3)cs2)cc1 ZINC000113321494 1412292525 /nfs/dbraw/zinc/29/25/25/1412292525.db2.gz VDILANNHNCDTRW-UHFFFAOYSA-N 2 0 388.581 3.148 20 0 GGADRP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113514808 1412311541 /nfs/dbraw/zinc/31/15/41/1412311541.db2.gz HLPNEIIPIRRSJZ-KIFXHHALSA-N 2 0 382.548 3.345 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113583421 1412318546 /nfs/dbraw/zinc/31/85/46/1412318546.db2.gz WPHJRDODPIEJCA-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000113591531 1412318798 /nfs/dbraw/zinc/31/87/98/1412318798.db2.gz BGWDQQGIQUBZKQ-PMACEKPBSA-N 2 0 386.584 3.413 20 0 GGADRP CN(C(=O)NCC[N@H+](C)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113601841 1412320466 /nfs/dbraw/zinc/32/04/66/1412320466.db2.gz LHMZLBBWHWOXQB-UHFFFAOYSA-N 2 0 394.563 3.424 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113602236 1412320495 /nfs/dbraw/zinc/32/04/95/1412320495.db2.gz RRJAXXSVUIZNAD-VQTJNVASSA-N 2 0 386.584 3.413 20 0 GGADRP COc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C2CC2)cc1 ZINC000114455616 1412436823 /nfs/dbraw/zinc/43/68/23/1412436823.db2.gz LZBAGAPOIJWYPS-SFHVURJKSA-N 2 0 387.568 3.285 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000114475597 1412441079 /nfs/dbraw/zinc/44/10/79/1412441079.db2.gz MITKYJWPWIRFDM-UHFFFAOYSA-N 2 0 381.511 3.067 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475807 1412441975 /nfs/dbraw/zinc/44/19/75/1412441975.db2.gz JOXZDFZKGCLYLY-QGZVFWFLSA-N 2 0 377.598 3.465 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475805 1412442204 /nfs/dbraw/zinc/44/22/04/1412442204.db2.gz JOXZDFZKGCLYLY-KRWDZBQOSA-N 2 0 377.598 3.465 20 0 GGADRP C[C@@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000114509633 1412448043 /nfs/dbraw/zinc/44/80/43/1412448043.db2.gz TWWCKLKZJFKPNM-JOCHJYFZSA-N 2 0 390.474 3.437 20 0 GGADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604243 1412473418 /nfs/dbraw/zinc/47/34/18/1412473418.db2.gz OVGXEYNVCIXSAP-GOSISDBHSA-N 2 0 398.473 3.017 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114783430 1412522999 /nfs/dbraw/zinc/52/29/99/1412522999.db2.gz KTZBNTZKXLWUGB-QFIPXVFZSA-N 2 0 380.536 3.212 20 0 GGADRP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000114802189 1412527886 /nfs/dbraw/zinc/52/78/86/1412527886.db2.gz VDHWABQALMYVRV-OAHLLOKOSA-N 2 0 383.939 3.490 20 0 GGADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177270024 1428663764 /nfs/dbraw/zinc/66/37/64/1428663764.db2.gz ONDPVPMGZLQJKA-UHFFFAOYSA-N 2 0 377.529 3.116 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000115790475 1412789492 /nfs/dbraw/zinc/78/94/92/1412789492.db2.gz KJAJVPCMJUDMAU-RXVVDRJESA-N 2 0 390.572 3.061 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115794840 1412791049 /nfs/dbraw/zinc/79/10/49/1412791049.db2.gz ATDDZMBDHKZETF-HXUWFJFHSA-N 2 0 386.584 3.402 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806805 1412794795 /nfs/dbraw/zinc/79/47/95/1412794795.db2.gz PEIYDXJBFUYBPF-IFMALSPDSA-N 2 0 386.584 3.443 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298211 1428677306 /nfs/dbraw/zinc/67/73/06/1428677306.db2.gz OEAGTHIJXJAXLN-QGZVFWFLSA-N 2 0 389.565 3.239 20 0 GGADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)(C)C ZINC000116420175 1412857181 /nfs/dbraw/zinc/85/71/81/1412857181.db2.gz KEQSIIYMPNGSCN-FQEVSTJZSA-N 2 0 392.563 3.456 20 0 GGADRP C[N@H+](CCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)Cc1ccccc1 ZINC000116530898 1412873089 /nfs/dbraw/zinc/87/30/89/1412873089.db2.gz ADRQMAOMTTYLQI-UHFFFAOYSA-N 2 0 397.588 3.487 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116535880 1412873866 /nfs/dbraw/zinc/87/38/66/1412873866.db2.gz NVYPSRFKXOTYGO-SFHVURJKSA-N 2 0 375.582 3.230 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000116561210 1412877188 /nfs/dbraw/zinc/87/71/88/1412877188.db2.gz SFTWQNRUAGSJDQ-IBGZPJMESA-N 2 0 384.568 3.482 20 0 GGADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000116575419 1412880364 /nfs/dbraw/zinc/88/03/64/1412880364.db2.gz GTVMHICMJJEVCD-UHFFFAOYSA-N 2 0 389.609 3.429 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177327429 1428691131 /nfs/dbraw/zinc/69/11/31/1428691131.db2.gz ZNYHPVBRDQZZCX-UHFFFAOYSA-N 2 0 384.568 3.141 20 0 GGADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000177334554 1428695720 /nfs/dbraw/zinc/69/57/20/1428695720.db2.gz SBSJGMGEQIXYCM-UHFFFAOYSA-N 2 0 380.536 3.056 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000118834680 1413237821 /nfs/dbraw/zinc/23/78/21/1413237821.db2.gz GCFVUENMYRPQIA-NRFANRHFSA-N 2 0 389.547 3.213 20 0 GGADRP C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C[NH+]1CCCC1 ZINC000119109365 1413340262 /nfs/dbraw/zinc/34/02/62/1413340262.db2.gz CGVKUTLCZZJFJX-UXHICEINSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000119115707 1413343120 /nfs/dbraw/zinc/34/31/20/1413343120.db2.gz WJRQBPPHUOEICZ-UHFFFAOYSA-N 2 0 384.524 3.058 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000119184655 1413368997 /nfs/dbraw/zinc/36/89/97/1413368997.db2.gz GXVLABOWKLPVCU-RBUKOAKNSA-N 2 0 376.545 3.002 20 0 GGADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000119270162 1413394969 /nfs/dbraw/zinc/39/49/69/1413394969.db2.gz FHGBPDOKHYRSHK-UHFFFAOYSA-N 2 0 385.552 3.299 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000119290481 1413400780 /nfs/dbraw/zinc/40/07/80/1413400780.db2.gz CGGQWZUJKJJIFU-WOJBJXKFSA-N 2 0 375.532 3.132 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000119471964 1413459293 /nfs/dbraw/zinc/45/92/93/1413459293.db2.gz CMDZXNFYTVEYGC-LEWJYISDSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000119502869 1413467742 /nfs/dbraw/zinc/46/77/42/1413467742.db2.gz YTVOLUKIFADKKN-LJQANCHMSA-N 2 0 378.605 3.404 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000119697133 1413536824 /nfs/dbraw/zinc/53/68/24/1413536824.db2.gz YZHDRIOMEIWCEZ-JOCHJYFZSA-N 2 0 398.526 3.392 20 0 GGADRP C[NH+](C)C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC1 ZINC000119781747 1413566830 /nfs/dbraw/zinc/56/68/30/1413566830.db2.gz LXSNGNFTMTXGHS-UHFFFAOYSA-N 2 0 386.540 3.314 20 0 GGADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177451311 1428741963 /nfs/dbraw/zinc/74/19/63/1428741963.db2.gz CVSWNAXAOCFILZ-UHFFFAOYSA-N 2 0 398.595 3.112 20 0 GGADRP CN(Cc1ccccc1)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000119938539 1413623900 /nfs/dbraw/zinc/62/39/00/1413623900.db2.gz UQECOWNFFASUBT-UHFFFAOYSA-N 2 0 397.567 3.280 20 0 GGADRP COc1cccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)c1 ZINC000120123541 1413696772 /nfs/dbraw/zinc/69/67/72/1413696772.db2.gz WGGJUHZLQBBYLK-YLJYHZDGSA-N 2 0 390.572 3.108 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000120167243 1413714878 /nfs/dbraw/zinc/71/48/78/1413714878.db2.gz DLUYUBQUUBPFQD-UHFFFAOYSA-N 2 0 376.545 3.103 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000120176213 1413718764 /nfs/dbraw/zinc/71/87/64/1413718764.db2.gz XCEIOMYZOLZREX-SFHVURJKSA-N 2 0 396.576 3.278 20 0 GGADRP Cc1coc(-c2cccc(NC(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)c2)n1 ZINC000120267854 1413760913 /nfs/dbraw/zinc/76/09/13/1413760913.db2.gz JGDAVTXXMJFPPL-UHFFFAOYSA-N 2 0 397.523 3.330 20 0 GGADRP CN(c1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCC1 ZINC000120295926 1413771849 /nfs/dbraw/zinc/77/18/49/1413771849.db2.gz LIPMKUANCKAHJK-UHFFFAOYSA-N 2 0 375.561 3.023 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000120296693 1413773031 /nfs/dbraw/zinc/77/30/31/1413773031.db2.gz PSYSOPRNFNGAOG-UHFFFAOYSA-N 2 0 377.495 3.423 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000120333272 1413790721 /nfs/dbraw/zinc/79/07/21/1413790721.db2.gz GTASQYSHCHRQBJ-UHFFFAOYSA-N 2 0 384.524 3.223 20 0 GGADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000120424147 1413814682 /nfs/dbraw/zinc/81/46/82/1413814682.db2.gz VFCZIFBRGWCBCN-IBGZPJMESA-N 2 0 393.453 3.084 20 0 GGADRP Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000120436656 1413817297 /nfs/dbraw/zinc/81/72/97/1413817297.db2.gz RNWZKMJGAJSIHO-SFHVURJKSA-N 2 0 389.565 3.076 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000120497277 1413830532 /nfs/dbraw/zinc/83/05/32/1413830532.db2.gz HLMBOHMZGHEZME-INIZCTEOSA-N 2 0 383.492 3.374 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120602442 1413852378 /nfs/dbraw/zinc/85/23/78/1413852378.db2.gz RYUUVFZBYDLXGF-YKSBVNFPSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120713634 1413882767 /nfs/dbraw/zinc/88/27/67/1413882767.db2.gz UWDGZCNGHXXLQF-PGRDOPGGSA-N 2 0 380.536 3.210 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120793861 1413904752 /nfs/dbraw/zinc/90/47/52/1413904752.db2.gz UMNSOZZBGQUBAX-OALUTQOASA-N 2 0 389.588 3.094 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000120802471 1413907541 /nfs/dbraw/zinc/90/75/41/1413907541.db2.gz HHNPMFHWONWHOI-IRXDYDNUSA-N 2 0 389.975 3.368 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000177490340 1428765771 /nfs/dbraw/zinc/76/57/71/1428765771.db2.gz JQWARNLPIGUKIC-AABGKKOBSA-N 2 0 396.620 3.026 20 0 GGADRP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000120850061 1413926024 /nfs/dbraw/zinc/92/60/24/1413926024.db2.gz VNRFCJULYYHRDE-HYBUGGRVSA-N 2 0 381.564 3.452 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)C[C@H](C)O1 ZINC000177491199 1428766816 /nfs/dbraw/zinc/76/68/16/1428766816.db2.gz LZLRXCRFPUYNDB-OALUTQOASA-N 2 0 391.600 3.131 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000177495993 1428769160 /nfs/dbraw/zinc/76/91/60/1428769160.db2.gz JPDFNFFBYADZPG-HDICACEKSA-N 2 0 391.531 3.366 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000121091359 1414004825 /nfs/dbraw/zinc/00/48/25/1414004825.db2.gz LLRNQMWGUZHOLI-HNNXBMFYSA-N 2 0 377.529 3.273 20 0 GGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121098271 1414006550 /nfs/dbraw/zinc/00/65/50/1414006550.db2.gz NWDLURFVYABRPF-IBGZPJMESA-N 2 0 398.595 3.381 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000121123369 1414015437 /nfs/dbraw/zinc/01/54/37/1414015437.db2.gz BJLFUMFJKBAGJV-HNNXBMFYSA-N 2 0 384.515 3.014 20 0 GGADRP CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121148206 1414024572 /nfs/dbraw/zinc/02/45/72/1414024572.db2.gz HEBIBYWFSFRKLP-UHFFFAOYSA-N 2 0 375.557 3.192 20 0 GGADRP CNC(=O)c1ccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000121166461 1414030632 /nfs/dbraw/zinc/03/06/32/1414030632.db2.gz CWPWISUBUSLBNK-UHFFFAOYSA-N 2 0 394.563 3.209 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280561 1414069868 /nfs/dbraw/zinc/06/98/68/1414069868.db2.gz IGTBFJPPADIKJA-QFBILLFUSA-N 2 0 387.490 3.256 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280396 1414070160 /nfs/dbraw/zinc/07/01/60/1414070160.db2.gz IGTBFJPPADIKJA-APWZRJJASA-N 2 0 387.490 3.256 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000177505731 1428773671 /nfs/dbraw/zinc/77/36/71/1428773671.db2.gz UFUDIURMNQOZJN-YYDVJCTNSA-N 2 0 399.579 3.218 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3coc4ccccc34)c2)C1 ZINC000121354335 1414092735 /nfs/dbraw/zinc/09/27/35/1414092735.db2.gz WWNAUTRKDLGNGU-IBGZPJMESA-N 2 0 377.488 3.420 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121518042 1414160136 /nfs/dbraw/zinc/16/01/36/1414160136.db2.gz KFSMXHAOULZOSV-LJQANCHMSA-N 2 0 379.495 3.168 20 0 GGADRP COCc1ccccc1CNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121677645 1414220284 /nfs/dbraw/zinc/22/02/84/1414220284.db2.gz QLNUPRZBCGCKPC-UHFFFAOYSA-N 2 0 387.568 3.037 20 0 GGADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121679989 1414221386 /nfs/dbraw/zinc/22/13/86/1414221386.db2.gz PZJLOXGSGWYAMM-LJQANCHMSA-N 2 0 387.568 3.288 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000121772896 1414252512 /nfs/dbraw/zinc/25/25/12/1414252512.db2.gz JRHKGHARORNZCH-RTBURBONSA-N 2 0 386.584 3.126 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121777290 1414254105 /nfs/dbraw/zinc/25/41/05/1414254105.db2.gz FAQQIEAXDCYNED-SJBKTWHCSA-N 2 0 398.595 3.413 20 0 GGADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121806162 1414263541 /nfs/dbraw/zinc/26/35/41/1414263541.db2.gz IEIMGQRAFFWGMN-IBGZPJMESA-N 2 0 387.568 3.288 20 0 GGADRP O[C@@H](COCc1ccccc1F)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121909283 1414303248 /nfs/dbraw/zinc/30/32/48/1414303248.db2.gz JJZIWBYCKPBQQN-OAQYLSRUSA-N 2 0 378.532 3.291 20 0 GGADRP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121941523 1414316098 /nfs/dbraw/zinc/31/60/98/1414316098.db2.gz VGOVNULGBNZHSY-FQEVSTJZSA-N 2 0 385.552 3.496 20 0 GGADRP CN(c1ccccc1C[N@H+](CCC(N)=O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000122115650 1414365749 /nfs/dbraw/zinc/36/57/49/1414365749.db2.gz YZUUKBUWSAEHBO-UHFFFAOYSA-N 2 0 394.563 3.095 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000122118379 1414366753 /nfs/dbraw/zinc/36/67/53/1414366753.db2.gz LLAKETLILNRQIS-QGZVFWFLSA-N 2 0 379.520 3.223 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000122153936 1414374870 /nfs/dbraw/zinc/37/48/70/1414374870.db2.gz PZBYQQYTRDNWRP-OALUTQOASA-N 2 0 377.529 3.162 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000122153722 1414375236 /nfs/dbraw/zinc/37/52/36/1414375236.db2.gz PZBYQQYTRDNWRP-RBUKOAKNSA-N 2 0 377.529 3.162 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000122170686 1414379088 /nfs/dbraw/zinc/37/90/88/1414379088.db2.gz NDRFSHKZMDTCOD-INIZCTEOSA-N 2 0 397.510 3.362 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1)C1CC1 ZINC000122265030 1414406173 /nfs/dbraw/zinc/40/61/73/1414406173.db2.gz WKAJZZPWROYKKD-GOTSBHOMSA-N 2 0 399.579 3.169 20 0 GGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122276252 1414409497 /nfs/dbraw/zinc/40/94/97/1414409497.db2.gz IHLUWCWPWAWPEU-OAHLLOKOSA-N 2 0 390.915 3.182 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000122359286 1414433738 /nfs/dbraw/zinc/43/37/38/1414433738.db2.gz HFFNGQWVGQBPJH-GBXCKJPGSA-N 2 0 397.563 3.006 20 0 GGADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000122367854 1414437089 /nfs/dbraw/zinc/43/70/89/1414437089.db2.gz MXXSHUHGECBWNG-JOCHJYFZSA-N 2 0 389.584 3.003 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000122603575 1414514063 /nfs/dbraw/zinc/51/40/63/1414514063.db2.gz HOSMLLVKVJJPAM-GOSISDBHSA-N 2 0 392.613 3.476 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000122724540 1414549369 /nfs/dbraw/zinc/54/93/69/1414549369.db2.gz LYQIZKASGNCATR-DLBZAZTESA-N 2 0 377.529 3.275 20 0 GGADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122947151 1414603300 /nfs/dbraw/zinc/60/33/00/1414603300.db2.gz YREOOHKUAJEKTM-QFIPXVFZSA-N 2 0 395.547 3.155 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177645996 1428821662 /nfs/dbraw/zinc/82/16/62/1428821662.db2.gz AACRQSKXDLASNM-QFIPXVFZSA-N 2 0 392.547 3.074 20 0 GGADRP COc1ccc([C@@H](O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123072085 1414633990 /nfs/dbraw/zinc/63/39/90/1414633990.db2.gz CQHHXKBWVZCNSF-QHCPKHFHSA-N 2 0 383.536 3.049 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123093228 1414639642 /nfs/dbraw/zinc/63/96/42/1414639642.db2.gz ZPONAZYKAPNBNY-GOSISDBHSA-N 2 0 384.568 3.041 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)CC3 ZINC000123178618 1414661329 /nfs/dbraw/zinc/66/13/29/1414661329.db2.gz KYVGJSWTOBVTKI-GOSISDBHSA-N 2 0 396.579 3.182 20 0 GGADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC3 ZINC000123274043 1414685091 /nfs/dbraw/zinc/68/50/91/1414685091.db2.gz NJRXWDIFKVXFPF-WMZOPIPTSA-N 2 0 383.536 3.124 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000123344532 1414701633 /nfs/dbraw/zinc/70/16/33/1414701633.db2.gz PUYJVHCQJFBHSR-PGYGNJIDSA-N 2 0 387.572 3.027 20 0 GGADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123477013 1414745724 /nfs/dbraw/zinc/74/57/24/1414745724.db2.gz QMMFIIQZDOJIMS-MSOLQXFVSA-N 2 0 375.557 3.315 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000123516374 1414759972 /nfs/dbraw/zinc/75/99/72/1414759972.db2.gz GDRDHGJZICEICK-UHFFFAOYSA-N 2 0 382.552 3.106 20 0 GGADRP CC(=O)Nc1ccc2c(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000123577279 1414780614 /nfs/dbraw/zinc/78/06/14/1414780614.db2.gz IRZNFJODIJQDLZ-UHFFFAOYSA-N 2 0 385.508 3.305 20 0 GGADRP Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000123680762 1414809039 /nfs/dbraw/zinc/80/90/39/1414809039.db2.gz YSVJAUHTCKGSEV-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)[NH+]2CCCC2)o1 ZINC000123709712 1414813603 /nfs/dbraw/zinc/81/36/03/1414813603.db2.gz BJIYUFRDQUWQQY-IBGZPJMESA-N 2 0 376.545 3.241 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000123860965 1414837198 /nfs/dbraw/zinc/83/71/98/1414837198.db2.gz HOQITGPRHOELJP-JOCHJYFZSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000123860431 1414837310 /nfs/dbraw/zinc/83/73/10/1414837310.db2.gz FBNZUJJQHVGPHL-JTHBVZDNSA-N 2 0 396.579 3.441 20 0 GGADRP C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000124005237 1414867328 /nfs/dbraw/zinc/86/73/28/1414867328.db2.gz NWIPYOVXDMKQOP-YLJYHZDGSA-N 2 0 381.520 3.363 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000124046065 1414875276 /nfs/dbraw/zinc/87/52/76/1414875276.db2.gz VHWXOLGGXGJCDW-CEXWTWQISA-N 2 0 383.577 3.255 20 0 GGADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000124347293 1414945991 /nfs/dbraw/zinc/94/59/91/1414945991.db2.gz KFKWNSJCWWOJKV-UHFFFAOYSA-N 2 0 393.963 3.040 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000124382276 1414953551 /nfs/dbraw/zinc/95/35/51/1414953551.db2.gz NKEMVUWZHOGYPH-UHFFFAOYSA-N 2 0 393.019 3.168 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000124589818 1415001004 /nfs/dbraw/zinc/00/10/04/1415001004.db2.gz DZZMCKYQUCOOGJ-UHFFFAOYSA-N 2 0 388.556 3.499 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000124710182 1415026645 /nfs/dbraw/zinc/02/66/45/1415026645.db2.gz PHQGZITXEROGLO-HXUWFJFHSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000124939281 1415076714 /nfs/dbraw/zinc/07/67/14/1415076714.db2.gz PXXJQCUFDSKHGW-SFHLNBCPSA-N 2 0 376.589 3.157 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000124946639 1415079032 /nfs/dbraw/zinc/07/90/32/1415079032.db2.gz KOQJREKFBVJLTJ-XAPVIXHLSA-N 2 0 390.616 3.403 20 0 GGADRP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000124990449 1415087572 /nfs/dbraw/zinc/08/75/72/1415087572.db2.gz LPOKPLKOGQIQPS-HXUWFJFHSA-N 2 0 397.611 3.202 20 0 GGADRP CCCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000125014656 1415091651 /nfs/dbraw/zinc/09/16/51/1415091651.db2.gz QKIYVBJUYYJDNV-IBGZPJMESA-N 2 0 376.545 3.355 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCc4c3cnn4C)CC2)c1 ZINC000125340521 1415168557 /nfs/dbraw/zinc/16/85/57/1415168557.db2.gz JMKRUDCEBWBGJS-QFIPXVFZSA-N 2 0 381.568 3.298 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000177846014 1428871453 /nfs/dbraw/zinc/87/14/53/1428871453.db2.gz DURNOPVAKPINTO-SFHVURJKSA-N 2 0 392.975 3.288 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000177851093 1428872765 /nfs/dbraw/zinc/87/27/65/1428872765.db2.gz REKAXZCUNUNWDA-PXNSSMCTSA-N 2 0 392.975 3.460 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125479576 1415211117 /nfs/dbraw/zinc/21/11/17/1415211117.db2.gz JNNIVLQSKPBMBO-AVRDEDQJSA-N 2 0 384.568 3.213 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000177867825 1428878251 /nfs/dbraw/zinc/87/82/51/1428878251.db2.gz WVGBJZJHFWTLHC-IBGZPJMESA-N 2 0 382.552 3.373 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125672566 1415251616 /nfs/dbraw/zinc/25/16/16/1415251616.db2.gz CCBKNHXLIGGYDE-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125721044 1415262227 /nfs/dbraw/zinc/26/22/27/1415262227.db2.gz QTQHQPWZCKRKPU-IRXDYDNUSA-N 2 0 377.529 3.131 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000125804535 1415285838 /nfs/dbraw/zinc/28/58/38/1415285838.db2.gz VTWOGZJGXKVXGQ-AQNXPRMDSA-N 2 0 398.595 3.448 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC000125821976 1415290042 /nfs/dbraw/zinc/29/00/42/1415290042.db2.gz RVCWMIMKOUHDOI-FQEVSTJZSA-N 2 0 390.503 3.103 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC000125822162 1415290254 /nfs/dbraw/zinc/29/02/54/1415290254.db2.gz RVCWMIMKOUHDOI-HXUWFJFHSA-N 2 0 390.503 3.103 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[NH+]2CCCC2)o1 ZINC000125824913 1415290773 /nfs/dbraw/zinc/29/07/73/1415290773.db2.gz SONWMSKGZYGZAC-VQTJNVASSA-N 2 0 390.572 3.392 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000125898521 1415307757 /nfs/dbraw/zinc/30/77/57/1415307757.db2.gz OPTFKUXWUNTXJW-KSZLIROESA-N 2 0 391.556 3.379 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000125900133 1415308120 /nfs/dbraw/zinc/30/81/20/1415308120.db2.gz LJKDFVGYZSCPRP-HXUWFJFHSA-N 2 0 395.613 3.104 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000125899843 1415308473 /nfs/dbraw/zinc/30/84/73/1415308473.db2.gz LJKDFVGYZSCPRP-FQEVSTJZSA-N 2 0 395.613 3.104 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000126051690 1415345090 /nfs/dbraw/zinc/34/50/90/1415345090.db2.gz PQDONFIKLUYZRO-UHFFFAOYSA-N 2 0 384.337 3.236 20 0 GGADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000126227852 1415388922 /nfs/dbraw/zinc/38/89/22/1415388922.db2.gz GHFHXLJXBHSXIK-UHFFFAOYSA-N 2 0 396.620 3.029 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000126298704 1415409394 /nfs/dbraw/zinc/40/93/94/1415409394.db2.gz RNYSLWTWBJDFIU-UHFFFAOYSA-N 2 0 398.551 3.110 20 0 GGADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000177978655 1428912303 /nfs/dbraw/zinc/91/23/03/1428912303.db2.gz FTZSSTVQGZMEFJ-QGZVFWFLSA-N 2 0 389.565 3.286 20 0 GGADRP C[N@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCSC1 ZINC000126330158 1415419276 /nfs/dbraw/zinc/41/92/76/1415419276.db2.gz QISSRZXAPBQRSN-HXUWFJFHSA-N 2 0 375.582 3.116 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CC(=O)Nc3ccccc3)cc2)CC1 ZINC000126352673 1415424899 /nfs/dbraw/zinc/42/48/99/1415424899.db2.gz ZQIUDVOLSZRJLQ-HXUWFJFHSA-N 2 0 394.563 3.331 20 0 GGADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126355656 1415425737 /nfs/dbraw/zinc/42/57/37/1415425737.db2.gz PUMRLPZOKADHKP-QGZVFWFLSA-N 3 0 379.508 3.367 20 0 GGADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126363869 1415427500 /nfs/dbraw/zinc/42/75/00/1415427500.db2.gz YRFRQJWOGFXKHR-OXQOHEQNSA-N 2 0 390.959 3.260 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)N(C)C)c1ccsc1 ZINC000126385596 1415432392 /nfs/dbraw/zinc/43/23/92/1415432392.db2.gz QFRPVTYQTFOWAX-IRXDYDNUSA-N 2 0 378.542 3.326 20 0 GGADRP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126457335 1415458309 /nfs/dbraw/zinc/45/83/09/1415458309.db2.gz JWYMTOMYJSFTTO-UHFFFAOYSA-N 2 0 377.532 3.445 20 0 GGADRP C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000126462046 1415459380 /nfs/dbraw/zinc/45/93/80/1415459380.db2.gz VIEHGNYXJYAFAN-UHFFFAOYSA-N 2 0 398.473 3.017 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CCCO2 ZINC000126654206 1415518998 /nfs/dbraw/zinc/51/89/98/1415518998.db2.gz MRFWVXBNCJOPQC-QHCPKHFHSA-N 2 0 395.547 3.446 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000126691989 1415528140 /nfs/dbraw/zinc/52/81/40/1415528140.db2.gz GWPMCXITKHQIDI-IBGZPJMESA-N 2 0 395.547 3.446 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000126713371 1415534965 /nfs/dbraw/zinc/53/49/65/1415534965.db2.gz SFSYULYRQDDOOU-MYUZEXMDSA-N 2 0 385.577 3.022 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000126713186 1415535142 /nfs/dbraw/zinc/53/51/42/1415535142.db2.gz SFSYULYRQDDOOU-DNOBIOAJSA-N 2 0 385.577 3.022 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000126712947 1415535271 /nfs/dbraw/zinc/53/52/71/1415535271.db2.gz SFSYULYRQDDOOU-XRHLQHRESA-N 2 0 385.577 3.022 20 0 GGADRP COCc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC ZINC000126719881 1415538412 /nfs/dbraw/zinc/53/84/12/1415538412.db2.gz XMWHTYGJCSUCAX-LJQANCHMSA-N 2 0 397.563 3.440 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000178034326 1428947897 /nfs/dbraw/zinc/94/78/97/1428947897.db2.gz WKYDLPHMLVSBAZ-SFHVURJKSA-N 2 0 376.545 3.213 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038159 1428950586 /nfs/dbraw/zinc/95/05/86/1428950586.db2.gz POKQFIFQBWGTFB-IXDOHACOSA-N 2 0 389.519 3.255 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@H](C)O1 ZINC000178040311 1428951607 /nfs/dbraw/zinc/95/16/07/1428951607.db2.gz CBJCPHSEMQKKBR-VCALTZMKSA-N 2 0 385.552 3.298 20 0 GGADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)c1 ZINC000126867043 1415589325 /nfs/dbraw/zinc/58/93/25/1415589325.db2.gz SLQFQLCSTKPKDX-RXVVDRJESA-N 2 0 390.572 3.109 20 0 GGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000178036363 1428948958 /nfs/dbraw/zinc/94/89/58/1428948958.db2.gz ZHCFGTWBLAMLJG-XUVXKRRUSA-N 2 0 375.557 3.500 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000127151054 1415673058 /nfs/dbraw/zinc/67/30/58/1415673058.db2.gz BNCQVABTSBKLFI-OAQYLSRUSA-N 2 0 386.515 3.202 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000127234037 1415697401 /nfs/dbraw/zinc/69/74/01/1415697401.db2.gz ZZLMUZCNPUWBEJ-SFHVURJKSA-N 2 0 388.575 3.493 20 0 GGADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000127280035 1415716861 /nfs/dbraw/zinc/71/68/61/1415716861.db2.gz GNSKXLMGGKQJOA-QZTJIDSGSA-N 2 0 392.563 3.265 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127570744 1415811694 /nfs/dbraw/zinc/81/16/94/1415811694.db2.gz KJARSJTUIVTVCM-FDDCHVKYSA-N 2 0 385.527 3.344 20 0 GGADRP C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000127572943 1415811896 /nfs/dbraw/zinc/81/18/96/1415811896.db2.gz PRFOFBZDVNZBJZ-REWPJTCUSA-N 2 0 383.580 3.274 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000127651445 1415826538 /nfs/dbraw/zinc/82/65/38/1415826538.db2.gz ITYVRFJVFHCNJT-HNAYVOBHSA-N 2 0 390.959 3.229 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000127729347 1415840115 /nfs/dbraw/zinc/84/01/15/1415840115.db2.gz ZMFSNGOAQHAKNF-STQMWFEESA-N 2 0 393.425 3.176 20 0 GGADRP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000127899083 1415872565 /nfs/dbraw/zinc/87/25/65/1415872565.db2.gz UNGPQAPZCYYIGV-UTKZUKDTSA-N 2 0 383.511 3.416 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127968815 1415885103 /nfs/dbraw/zinc/88/51/03/1415885103.db2.gz CDZYEZWESHVYKM-RXVVDRJESA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000178201629 1429016522 /nfs/dbraw/zinc/01/65/22/1429016522.db2.gz JRLAKABZCJJFEM-CYBMUJFWSA-N 2 0 395.425 3.334 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000178203466 1429017580 /nfs/dbraw/zinc/01/75/80/1429017580.db2.gz LHCJAISWTGHNKE-FGZHOGPDSA-N 2 0 383.580 3.322 20 0 GGADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000178168359 1429005043 /nfs/dbraw/zinc/00/50/43/1429005043.db2.gz JNCVDIUOFGORIE-INIZCTEOSA-N 2 0 389.927 3.361 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000128188002 1415934845 /nfs/dbraw/zinc/93/48/45/1415934845.db2.gz VRZCWDMTDDPJQP-ONEGZZNKSA-N 2 0 381.495 3.454 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178230461 1429024319 /nfs/dbraw/zinc/02/43/19/1429024319.db2.gz LPDKZLOEVVUFNB-IBGZPJMESA-N 2 0 382.552 3.337 20 0 GGADRP C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178231890 1429024924 /nfs/dbraw/zinc/02/49/24/1429024924.db2.gz BDJDUXGEJHSTGI-IBGZPJMESA-N 2 0 382.552 3.337 20 0 GGADRP CCOc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC(F)F ZINC000128589666 1416020724 /nfs/dbraw/zinc/02/07/24/1416020724.db2.gz QSTPFWZZKWAYCZ-KRWDZBQOSA-N 2 0 385.499 3.048 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178285523 1429041961 /nfs/dbraw/zinc/04/19/61/1429041961.db2.gz IKYLNZLTSZTNCY-KRWDZBQOSA-N 2 0 390.549 3.022 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128663685 1416036382 /nfs/dbraw/zinc/03/63/82/1416036382.db2.gz SMHPKZGNHDWJHU-QFBILLFUSA-N 2 0 377.529 3.131 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000128728202 1416052503 /nfs/dbraw/zinc/05/25/03/1416052503.db2.gz PXTVGGZUWTZLGG-MOPGFXCFSA-N 2 0 378.561 3.330 20 0 GGADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000128775210 1416065373 /nfs/dbraw/zinc/06/53/73/1416065373.db2.gz IJNQZYCJYKSBMA-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000128780352 1416066904 /nfs/dbraw/zinc/06/69/04/1416066904.db2.gz PLOXKBGGDZDHIP-IRLDBZIGSA-N 2 0 384.568 3.297 20 0 GGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000128781082 1416067421 /nfs/dbraw/zinc/06/74/21/1416067421.db2.gz LKLROGVIHRJNTG-UHFFFAOYSA-N 2 0 389.975 3.009 20 0 GGADRP O=C(CC[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CCN(c2ccccn2)CC1 ZINC000128797056 1416070973 /nfs/dbraw/zinc/07/09/73/1416070973.db2.gz LVCPTTVPNXKLIQ-LJQANCHMSA-N 2 0 384.911 3.051 20 0 GGADRP O=C(CC[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CCN(c2ccccn2)CC1 ZINC000128797289 1416071075 /nfs/dbraw/zinc/07/10/75/1416071075.db2.gz LVCPTTVPNXKLIQ-IBGZPJMESA-N 2 0 384.911 3.051 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000178298378 1429045671 /nfs/dbraw/zinc/04/56/71/1429045671.db2.gz PWPPKBIWKUSDQI-QGZVFWFLSA-N 2 0 390.549 3.022 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318386 1416190280 /nfs/dbraw/zinc/19/02/80/1416190280.db2.gz YRURMVKNXMEKCX-MSOLQXFVSA-N 2 0 378.586 3.114 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccs1 ZINC000129328845 1416191689 /nfs/dbraw/zinc/19/16/89/1416191689.db2.gz YGEIHFFLDPBATJ-RBUKOAKNSA-N 2 0 386.565 3.487 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000129473530 1416215216 /nfs/dbraw/zinc/21/52/16/1416215216.db2.gz QOECTMSTZLECMA-UHFFFAOYSA-N 2 0 398.517 3.287 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129492793 1416218508 /nfs/dbraw/zinc/21/85/08/1416218508.db2.gz BGUJXJCRUNCNLS-WOIUINJBSA-N 2 0 386.584 3.258 20 0 GGADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000129498462 1416219275 /nfs/dbraw/zinc/21/92/75/1416219275.db2.gz DECOJRKYUFDIKW-VQIMIIECSA-N 2 0 378.948 3.070 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000129714555 1416252833 /nfs/dbraw/zinc/25/28/33/1416252833.db2.gz COSOLMJUSMGQSJ-WFFDWFOESA-N 2 0 383.458 3.488 20 0 GGADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129860003 1416275401 /nfs/dbraw/zinc/27/54/01/1416275401.db2.gz QUAUEIJITOEKBL-XMSQKQJNSA-N 2 0 388.600 3.442 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000129861082 1416275870 /nfs/dbraw/zinc/27/58/70/1416275870.db2.gz KBBRUNXWPABJAZ-IBGZPJMESA-N 2 0 378.605 3.451 20 0 GGADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000129984109 1416296248 /nfs/dbraw/zinc/29/62/48/1416296248.db2.gz ZDAIMFBMVKQLCS-RBBKRZOGSA-N 2 0 390.616 3.403 20 0 GGADRP O=C(CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1)Nc1ccccc1 ZINC000130018251 1416303282 /nfs/dbraw/zinc/30/32/82/1416303282.db2.gz GEWXDQYWGZBHCG-UHFFFAOYSA-N 2 0 398.595 3.476 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130200370 1416338637 /nfs/dbraw/zinc/33/86/37/1416338637.db2.gz KLPBDXFCBMOHAQ-QGZVFWFLSA-N 2 0 385.508 3.175 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cn2)CC1 ZINC000130462686 1416382019 /nfs/dbraw/zinc/38/20/19/1416382019.db2.gz WTLJYKQAAAENMH-IBGZPJMESA-N 2 0 386.927 3.490 20 0 GGADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ccc1SC ZINC000130516987 1416392523 /nfs/dbraw/zinc/39/25/23/1416392523.db2.gz ILJJGRHHPSRRKY-MRXNPFEDSA-N 2 0 386.565 3.415 20 0 GGADRP Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000130561270 1416399049 /nfs/dbraw/zinc/39/90/49/1416399049.db2.gz NQHJUMNRBGNVAZ-UHFFFAOYSA-N 2 0 388.556 3.418 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000130662380 1416420110 /nfs/dbraw/zinc/42/01/10/1416420110.db2.gz NUYVAZGPBSBLGR-UHFFFAOYSA-N 2 0 395.975 3.135 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000130678142 1416423368 /nfs/dbraw/zinc/42/33/68/1416423368.db2.gz CFEZBYZGHLINIS-SFHVURJKSA-N 2 0 380.602 3.189 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000130693174 1416426218 /nfs/dbraw/zinc/42/62/18/1416426218.db2.gz QAKIIWLGTFKZKE-SFHVURJKSA-N 2 0 390.597 3.131 20 0 GGADRP C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000178525593 1429096494 /nfs/dbraw/zinc/09/64/94/1429096494.db2.gz PWKQHNIZDZOKMY-SFHVURJKSA-N 2 0 385.556 3.228 20 0 GGADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000130907601 1416479467 /nfs/dbraw/zinc/47/94/67/1416479467.db2.gz SUEZSWOHLJGAGY-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000130917967 1416480996 /nfs/dbraw/zinc/48/09/96/1416480996.db2.gz QGIIDHPVGUPEFU-IBGZPJMESA-N 2 0 378.561 3.029 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000131086114 1416506535 /nfs/dbraw/zinc/50/65/35/1416506535.db2.gz BOSIYDGWXGTMNR-VXKWHMMOSA-N 2 0 384.568 3.402 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+]2CCCC2)cc1 ZINC000131113359 1416510992 /nfs/dbraw/zinc/51/09/92/1416510992.db2.gz FSZJHUNUNLEUGY-JOCHJYFZSA-N 2 0 393.535 3.059 20 0 GGADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000131175139 1416519759 /nfs/dbraw/zinc/51/97/59/1416519759.db2.gz PQHACYYLKMKIRE-KRWDZBQOSA-N 2 0 378.586 3.134 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000131418671 1416554883 /nfs/dbraw/zinc/55/48/83/1416554883.db2.gz QJFSRVPSTDQXHJ-GOSISDBHSA-N 2 0 387.572 3.171 20 0 GGADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000178575051 1429110919 /nfs/dbraw/zinc/11/09/19/1429110919.db2.gz LXPDMQJGJQKWGU-QGZVFWFLSA-N 2 0 386.540 3.069 20 0 GGADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000131864123 1416637711 /nfs/dbraw/zinc/63/77/11/1416637711.db2.gz JWRYGRYFWOSJEK-INIZCTEOSA-N 2 0 385.508 3.445 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000131890964 1416642809 /nfs/dbraw/zinc/64/28/09/1416642809.db2.gz GKRRZZYKNHUZND-UHFFFAOYSA-N 2 0 382.552 3.151 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000132159768 1416709404 /nfs/dbraw/zinc/70/94/04/1416709404.db2.gz ARXDMBSGFXMSJM-XMMPIXPASA-N 2 0 379.548 3.141 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@]1(O)CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000132160005 1416709832 /nfs/dbraw/zinc/70/98/32/1416709832.db2.gz ARXDMBSGFXMSJM-DEOSSOPVSA-N 2 0 379.548 3.141 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132168596 1416710584 /nfs/dbraw/zinc/71/05/84/1416710584.db2.gz DDSIIEUSEOWAGC-CYBMUJFWSA-N 2 0 375.435 3.480 20 0 GGADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000132327434 1416736792 /nfs/dbraw/zinc/73/67/92/1416736792.db2.gz XAXWPKXVCUWZEV-OAQYLSRUSA-N 2 0 384.568 3.496 20 0 GGADRP CC(C)[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)N1CC[NH+](C)CC1 ZINC000132448604 1416762635 /nfs/dbraw/zinc/76/26/35/1416762635.db2.gz GVYSSMBBKNQGTM-QFIPXVFZSA-N 2 0 393.019 3.166 20 0 GGADRP C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132530907 1416779564 /nfs/dbraw/zinc/77/95/64/1416779564.db2.gz QUXCRFUOAMACGD-XLIONFOSSA-N 2 0 387.568 3.091 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132530537 1416779595 /nfs/dbraw/zinc/77/95/95/1416779595.db2.gz QUXCRFUOAMACGD-YLJYHZDGSA-N 2 0 387.568 3.091 20 0 GGADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000132539951 1416781180 /nfs/dbraw/zinc/78/11/80/1416781180.db2.gz ZVQDTTFMMCHLQU-CRAIPNDOSA-N 2 0 383.964 3.280 20 0 GGADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC ZINC000132560024 1416784987 /nfs/dbraw/zinc/78/49/87/1416784987.db2.gz NWAYCMLYVAGYAA-ICSRJNTNSA-N 2 0 377.573 3.407 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000132568709 1416785842 /nfs/dbraw/zinc/78/58/42/1416785842.db2.gz IALUXVYWVMQTFP-HTAPYJJXSA-N 2 0 387.547 3.242 20 0 GGADRP Clc1ccccc1CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000132879044 1416826304 /nfs/dbraw/zinc/82/63/04/1416826304.db2.gz JCOZQMCPEKXXHD-SFHVURJKSA-N 2 0 391.987 3.395 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928168 1416832231 /nfs/dbraw/zinc/83/22/31/1416832231.db2.gz WWADCTKYJLGFRD-PXNSSMCTSA-N 2 0 389.588 3.273 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000178666200 1429133327 /nfs/dbraw/zinc/13/33/27/1429133327.db2.gz YODSOSJLOPAVAQ-QGZVFWFLSA-N 2 0 388.943 3.376 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133073810 1416849109 /nfs/dbraw/zinc/84/91/09/1416849109.db2.gz AMDLSXHYMGHPJZ-OALUTQOASA-N 2 0 398.551 3.092 20 0 GGADRP C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000133130726 1416855137 /nfs/dbraw/zinc/85/51/37/1416855137.db2.gz VWCZCJFJAWLYSW-OXQOHEQNSA-N 2 0 399.501 3.399 20 0 GGADRP CN(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133295543 1416875495 /nfs/dbraw/zinc/87/54/95/1416875495.db2.gz FCMNWLNXPUKRGA-UHFFFAOYSA-N 2 0 380.580 3.439 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCC4)s3)c2)C1 ZINC000133314569 1416877716 /nfs/dbraw/zinc/87/77/16/1416877716.db2.gz VBRYFRXWZJIQTP-IBGZPJMESA-N 2 0 398.576 3.398 20 0 GGADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000133349305 1416881146 /nfs/dbraw/zinc/88/11/46/1416881146.db2.gz GZGSQFGYUPNLPY-UHFFFAOYSA-N 2 0 393.597 3.025 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831035 1416971924 /nfs/dbraw/zinc/97/19/24/1416971924.db2.gz WPOCNBQBNWTUTD-OALUTQOASA-N 2 0 387.572 3.028 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000133858995 1416979341 /nfs/dbraw/zinc/97/93/41/1416979341.db2.gz RNNBRNFGHVGFDJ-IBGZPJMESA-N 2 0 376.520 3.047 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000133863159 1416981711 /nfs/dbraw/zinc/98/17/11/1416981711.db2.gz YKKIXZIVCFCVGK-QRVBRYPASA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)[NH+](CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)C ZINC000133986476 1417005719 /nfs/dbraw/zinc/00/57/19/1417005719.db2.gz CRWAOUQPBPJFLX-LJQANCHMSA-N 2 0 389.588 3.415 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1F ZINC000134034005 1417012336 /nfs/dbraw/zinc/01/23/36/1417012336.db2.gz OQAOIQNNIQHPBU-LJQANCHMSA-N 2 0 376.520 3.047 20 0 GGADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000134036716 1417012900 /nfs/dbraw/zinc/01/29/00/1417012900.db2.gz LATWWSDRKZVOAP-GOSISDBHSA-N 2 0 399.583 3.039 20 0 GGADRP CC[C@H](C)Oc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC ZINC000134081508 1417019240 /nfs/dbraw/zinc/01/92/40/1417019240.db2.gz RCVQTVOHAVPZSC-SFHVURJKSA-N 2 0 376.541 3.417 20 0 GGADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(-c2ccccc2Cl)n1 ZINC000134091160 1417020959 /nfs/dbraw/zinc/02/09/59/1417020959.db2.gz FAHIKULSBHYRIP-UHFFFAOYSA-N 2 0 388.943 3.285 20 0 GGADRP CCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OCC ZINC000134105778 1417022642 /nfs/dbraw/zinc/02/26/42/1417022642.db2.gz DQGSQVLWHDQZDU-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP CCCOc1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cccc1OCC ZINC000134104287 1417022751 /nfs/dbraw/zinc/02/27/51/1417022751.db2.gz IDOXVSFOOZTXBE-UHFFFAOYSA-N 2 0 376.541 3.418 20 0 GGADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000134111785 1417023642 /nfs/dbraw/zinc/02/36/42/1417023642.db2.gz XMMCNGKASYZWRR-UHFFFAOYSA-N 2 0 394.519 3.378 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)s3)c2)C1 ZINC000134301100 1417052616 /nfs/dbraw/zinc/05/26/16/1417052616.db2.gz VBMHSHAAMRYNJJ-GOSISDBHSA-N 2 0 384.549 3.008 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000178734805 1429156664 /nfs/dbraw/zinc/15/66/64/1429156664.db2.gz VKIZAQFZIFQHRJ-MOPGFXCFSA-N 2 0 376.545 3.084 20 0 GGADRP CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000134545336 1417084850 /nfs/dbraw/zinc/08/48/50/1417084850.db2.gz KEDPHPVZERCBKK-RXVVDRJESA-N 2 0 389.609 3.373 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000178739206 1429157797 /nfs/dbraw/zinc/15/77/97/1429157797.db2.gz VCNPGDCADNWOPN-KBAYOESNSA-N 2 0 376.570 3.009 20 0 GGADRP CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000134608589 1417095960 /nfs/dbraw/zinc/09/59/60/1417095960.db2.gz YVMKIKQGYQDMGX-LJQANCHMSA-N 2 0 393.622 3.391 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134722106 1417116736 /nfs/dbraw/zinc/11/67/36/1417116736.db2.gz WUPGAIMMGJIYDJ-QZTJIDSGSA-N 2 0 384.568 3.069 20 0 GGADRP C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134994298 1417157707 /nfs/dbraw/zinc/15/77/07/1417157707.db2.gz UJQXDFBPUQRLIN-QGZVFWFLSA-N 2 0 398.526 3.133 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135259194 1417198357 /nfs/dbraw/zinc/19/83/57/1417198357.db2.gz JMIMXQRHRMIEIW-ICSRJNTNSA-N 2 0 393.547 3.062 20 0 GGADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135259253 1417198614 /nfs/dbraw/zinc/19/86/14/1417198614.db2.gz JMIMXQRHRMIEIW-UYAOXDASSA-N 2 0 393.547 3.062 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000135272561 1417200604 /nfs/dbraw/zinc/20/06/04/1417200604.db2.gz MRSYQHMVMFALQR-BJLQDIEVSA-N 2 0 393.547 3.060 20 0 GGADRP CCCC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C(=O)Nc1cc(C)on1 ZINC000135294897 1417204439 /nfs/dbraw/zinc/20/44/39/1417204439.db2.gz IXBKECGWZOQEOR-SFHVURJKSA-N 2 0 376.476 3.471 20 0 GGADRP CC[N@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000135343292 1417209818 /nfs/dbraw/zinc/20/98/18/1417209818.db2.gz SUIXUSGZTPNIOH-DNVCBOLYSA-N 2 0 396.938 3.255 20 0 GGADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135343673 1417209950 /nfs/dbraw/zinc/20/99/50/1417209950.db2.gz DHKTZMMJHJRFQW-MAUKXSAKSA-N 2 0 384.927 3.111 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1F ZINC000135398003 1417214898 /nfs/dbraw/zinc/21/48/98/1417214898.db2.gz WGBMPXAPGXJFFH-UHFFFAOYSA-N 2 0 390.478 3.087 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000136170334 1417297909 /nfs/dbraw/zinc/29/79/09/1417297909.db2.gz ZKGLRXRXWLJATD-LAUBAEHRSA-N 2 0 398.526 3.350 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000136178305 1417298557 /nfs/dbraw/zinc/29/85/57/1417298557.db2.gz PYXNXIDJTLJKFQ-UHFFFAOYSA-N 2 0 386.565 3.382 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136232778 1417303168 /nfs/dbraw/zinc/30/31/68/1417303168.db2.gz JMVQFBJNNOZBBB-UHFFFAOYSA-N 2 0 397.498 3.253 20 0 GGADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000136415538 1417315096 /nfs/dbraw/zinc/31/50/96/1417315096.db2.gz SWWMBUASJXQHAW-AVRDEDQJSA-N 2 0 395.547 3.200 20 0 GGADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136587031 1417330024 /nfs/dbraw/zinc/33/00/24/1417330024.db2.gz SQHBBTAVMDWGIQ-RBUKOAKNSA-N 2 0 386.458 3.485 20 0 GGADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000136611580 1417332672 /nfs/dbraw/zinc/33/26/72/1417332672.db2.gz KITGLNXGFDOFDX-YTFSRNRJSA-N 2 0 388.552 3.102 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136745150 1417343327 /nfs/dbraw/zinc/34/33/27/1417343327.db2.gz YZHAURPYADVYRF-IFMALSPDSA-N 2 0 384.568 3.085 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1)C(C)C ZINC000136816073 1417347908 /nfs/dbraw/zinc/34/79/08/1417347908.db2.gz VFJGPVXMRYDLCN-FQEVSTJZSA-N 2 0 387.568 3.148 20 0 GGADRP CC1CC[NH+](CC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000136976565 1417359771 /nfs/dbraw/zinc/35/97/71/1417359771.db2.gz DHIIIVVCCRRIBU-UHFFFAOYSA-N 2 0 386.540 3.172 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[NH+]2CCCC2)cc1 ZINC000138026328 1417402241 /nfs/dbraw/zinc/40/22/41/1417402241.db2.gz OHLAZNJFMPDCJW-VSKRKVRLSA-N 2 0 384.568 3.258 20 0 GGADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000138058375 1417403685 /nfs/dbraw/zinc/40/36/85/1417403685.db2.gz NBQAQRFNMMIVBO-UHFFFAOYSA-N 2 0 378.398 3.251 20 0 GGADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138326819 1417410476 /nfs/dbraw/zinc/41/04/76/1417410476.db2.gz CYRFVLDZBBVBPO-OAQYLSRUSA-N 2 0 392.547 3.289 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000139065097 1417446935 /nfs/dbraw/zinc/44/69/35/1417446935.db2.gz YHKIATFDYZPOCZ-XLIONFOSSA-N 2 0 391.556 3.252 20 0 GGADRP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000139919313 1417480904 /nfs/dbraw/zinc/48/09/04/1417480904.db2.gz BZCWJKASKLOYQP-QGZVFWFLSA-N 2 0 378.586 3.130 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000140094045 1417488205 /nfs/dbraw/zinc/48/82/05/1417488205.db2.gz OIXCELUMRZSCRK-JOCHJYFZSA-N 2 0 380.536 3.212 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000140741652 1417514915 /nfs/dbraw/zinc/51/49/15/1417514915.db2.gz YOQDORNWRUKBAJ-LJQANCHMSA-N 2 0 394.563 3.384 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000178845502 1429193008 /nfs/dbraw/zinc/19/30/08/1429193008.db2.gz WSBXJTPZILSLPT-OFNKIYASSA-N 2 0 377.532 3.244 20 0 GGADRP C(CN1CC[NH+](C2CCCCC2)CC1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000141838170 1417560689 /nfs/dbraw/zinc/56/06/89/1417560689.db2.gz PMIONAKHMFGLEM-UHFFFAOYSA-N 2 0 376.633 3.277 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000142201955 1417576606 /nfs/dbraw/zinc/57/66/06/1417576606.db2.gz OHCGHQWXAHUFIU-MSOLQXFVSA-N 2 0 392.613 3.380 20 0 GGADRP C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000145590715 1417692896 /nfs/dbraw/zinc/69/28/96/1417692896.db2.gz HZMZKXMQDSEOKU-MOPGFXCFSA-N 2 0 388.625 3.236 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C[C@H]4CCC[NH2+]4)cc3)CC2)c1 ZINC000178876499 1429206282 /nfs/dbraw/zinc/20/62/82/1429206282.db2.gz DNFDJLYHRHNQPG-JOCHJYFZSA-N 2 0 392.547 3.398 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000178876434 1429206860 /nfs/dbraw/zinc/20/68/60/1429206860.db2.gz CFGIDIAAQUATPG-OAQYLSRUSA-N 2 0 392.547 3.255 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000149004976 1417770684 /nfs/dbraw/zinc/77/06/84/1417770684.db2.gz IQBKTVPQDMVCER-QGZVFWFLSA-N 2 0 378.586 3.132 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150798391 1417809100 /nfs/dbraw/zinc/80/91/00/1417809100.db2.gz GCVFDPCTDZTNDH-NRFANRHFSA-N 2 0 387.593 3.326 20 0 GGADRP Cc1c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000150949563 1417842146 /nfs/dbraw/zinc/84/21/46/1417842146.db2.gz XDVIYGRSQKICBS-LJQANCHMSA-N 2 0 383.584 3.474 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@H](O)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000150976467 1417847033 /nfs/dbraw/zinc/84/70/33/1417847033.db2.gz AXUNFFWGGJLQKS-NRFANRHFSA-N 2 0 389.490 3.318 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000150996480 1417851994 /nfs/dbraw/zinc/85/19/94/1417851994.db2.gz LRKIEWZMMXJEQB-KRWDZBQOSA-N 2 0 382.911 3.420 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000151001429 1417852953 /nfs/dbraw/zinc/85/29/53/1417852953.db2.gz VLOQYJZMPKLTHI-UHFFFAOYSA-N 2 0 382.552 3.295 20 0 GGADRP Cc1cc(Br)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000151370753 1417939005 /nfs/dbraw/zinc/93/90/05/1417939005.db2.gz RFOZBUBMVIDCOO-UHFFFAOYSA-N 2 0 389.341 3.194 20 0 GGADRP CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151424459 1417961447 /nfs/dbraw/zinc/96/14/47/1417961447.db2.gz COOLWBDBEUXYPP-UNMCSNQZSA-N 2 0 384.568 3.167 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151467594 1417985780 /nfs/dbraw/zinc/98/57/80/1417985780.db2.gz JHMITYBLNDULJZ-FPOVZHCZSA-N 2 0 376.566 3.306 20 0 GGADRP O=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178958513 1429228810 /nfs/dbraw/zinc/22/88/10/1429228810.db2.gz JSYZWCSNUKQZEK-UHFFFAOYSA-N 2 0 393.531 3.023 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000151555219 1418023195 /nfs/dbraw/zinc/02/31/95/1418023195.db2.gz QDEODDGWYFNWRY-YMPZKCBVSA-N 2 0 398.595 3.414 20 0 GGADRP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000151651732 1418050754 /nfs/dbraw/zinc/05/07/54/1418050754.db2.gz QEPFVXOZIRZXOO-UXHICEINSA-N 2 0 379.589 3.037 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000151759315 1418079858 /nfs/dbraw/zinc/07/98/58/1418079858.db2.gz SKLQJYCYWXSXNR-SYYKKAFVSA-N 2 0 384.568 3.165 20 0 GGADRP Cc1ccc(-n2cc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151788184 1418086857 /nfs/dbraw/zinc/08/68/57/1418086857.db2.gz KMBPVUKMJWEZOR-LJQANCHMSA-N 2 0 383.584 3.204 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1cccc(Cl)c1 ZINC000151792114 1418087614 /nfs/dbraw/zinc/08/76/14/1418087614.db2.gz DJKJJLJEEOFGAF-HNNXBMFYSA-N 2 0 376.932 3.189 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151841856 1418099324 /nfs/dbraw/zinc/09/93/24/1418099324.db2.gz PQEOQIPSEMBBMP-QHCPKHFHSA-N 2 0 386.511 3.412 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000178983132 1429234403 /nfs/dbraw/zinc/23/44/03/1429234403.db2.gz NUUWKHDLIXVMCC-UHFFFAOYSA-N 2 0 376.589 3.203 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000152023872 1418123261 /nfs/dbraw/zinc/12/32/61/1418123261.db2.gz USUJSVXFRUETPS-CALCHBBNSA-N 2 0 392.515 3.324 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071874 1418137549 /nfs/dbraw/zinc/13/75/49/1418137549.db2.gz GQYBVWUZETWVKM-RBUKOAKNSA-N 2 0 387.572 3.027 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000152090533 1418142436 /nfs/dbraw/zinc/14/24/36/1418142436.db2.gz VFPRCLDTJJNWJK-GOSISDBHSA-N 2 0 387.572 3.171 20 0 GGADRP CCc1nccn1[C@@H]1CCCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000152195324 1418170297 /nfs/dbraw/zinc/17/02/97/1418170297.db2.gz ZUUUBPDIPLHWAE-CEXWTWQISA-N 2 0 375.561 3.160 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000152212270 1418174262 /nfs/dbraw/zinc/17/42/62/1418174262.db2.gz GWOZEFLZAHASOG-LJQANCHMSA-N 2 0 387.572 3.028 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(F)cc1 ZINC000179389242 1429354676 /nfs/dbraw/zinc/35/46/76/1429354676.db2.gz WQUCRIAJOTVJJT-UHFFFAOYSA-N 2 0 384.499 3.075 20 0 GGADRP COc1ccc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179390395 1429355358 /nfs/dbraw/zinc/35/53/58/1429355358.db2.gz LPURJACAXLYTFD-UHFFFAOYSA-N 2 0 382.508 3.267 20 0 GGADRP Cc1ccccc1CCNC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391035 1429356361 /nfs/dbraw/zinc/35/63/61/1429356361.db2.gz LOQRPOPQIDKLBL-UHFFFAOYSA-N 2 0 394.563 3.287 20 0 GGADRP Cc1ccsc1CNC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396228 1429358085 /nfs/dbraw/zinc/35/80/85/1429358085.db2.gz GQSHPBPOBCTKFP-UHFFFAOYSA-N 2 0 386.565 3.306 20 0 GGADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000179457838 1429382933 /nfs/dbraw/zinc/38/29/33/1429382933.db2.gz AALBKINPHQLXPZ-LJQANCHMSA-N 2 0 376.545 3.180 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496258 1429395127 /nfs/dbraw/zinc/39/51/27/1429395127.db2.gz PARFZXJGJLWBPO-AUSIDOKSSA-N 2 0 395.547 3.469 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179511747 1429403306 /nfs/dbraw/zinc/40/33/06/1429403306.db2.gz YIZWMZHYCODEQG-INIZCTEOSA-N 2 0 397.523 3.157 20 0 GGADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000152457520 1422109377 /nfs/dbraw/zinc/10/93/77/1422109377.db2.gz DIYWEIFDQRPNRW-CPJSRVTESA-N 2 0 393.575 3.253 20 0 GGADRP CC(C)[C@@H](C(=O)Nc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c(F)cc1F)[NH+](C)C ZINC000152478695 1422114253 /nfs/dbraw/zinc/11/42/53/1422114253.db2.gz YJPGKJZXKPOGDJ-ROUUACIJSA-N 2 0 398.498 3.014 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)CC1 ZINC000152746105 1422234151 /nfs/dbraw/zinc/23/41/51/1422234151.db2.gz OJQLLWVABAYIHE-HAMDTZRPSA-N 2 0 376.589 3.155 20 0 GGADRP O=C(NC1CC1)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000179755500 1429541324 /nfs/dbraw/zinc/54/13/24/1429541324.db2.gz RFAHABIQZKZYCX-NRFANRHFSA-N 2 0 382.483 3.047 20 0 GGADRP CCCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C)on1 ZINC000179755368 1429541361 /nfs/dbraw/zinc/54/13/61/1429541361.db2.gz GWHYNSMVRRCFTB-LJQANCHMSA-N 2 0 385.512 3.382 20 0 GGADRP C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894242 1422286357 /nfs/dbraw/zinc/28/63/57/1422286357.db2.gz SMKOEFHUCWPMFS-ROUUACIJSA-N 2 0 389.565 3.328 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894338 1422286373 /nfs/dbraw/zinc/28/63/73/1422286373.db2.gz SMKOEFHUCWPMFS-MSOLQXFVSA-N 2 0 389.565 3.328 20 0 GGADRP C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894559 1422286587 /nfs/dbraw/zinc/28/65/87/1422286587.db2.gz SMKOEFHUCWPMFS-QZTJIDSGSA-N 2 0 389.565 3.328 20 0 GGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC000152961731 1422308456 /nfs/dbraw/zinc/30/84/56/1422308456.db2.gz XYYGBSXSVUANQB-NRFANRHFSA-N 2 0 380.536 3.399 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000153027983 1422331861 /nfs/dbraw/zinc/33/18/61/1422331861.db2.gz PQRVPSXJAWPMNM-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000153094293 1422354578 /nfs/dbraw/zinc/35/45/78/1422354578.db2.gz ZWJXNHBDEYVJOF-WIYYLYMNSA-N 2 0 384.568 3.356 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153653048 1422680306 /nfs/dbraw/zinc/68/03/06/1422680306.db2.gz BIBZJXKEEMLWCL-UNMCSNQZSA-N 2 0 399.604 3.324 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000153765805 1422744097 /nfs/dbraw/zinc/74/40/97/1422744097.db2.gz OULRSMJELHXHFE-NRFANRHFSA-N 2 0 386.515 3.050 20 0 GGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000153927376 1422811948 /nfs/dbraw/zinc/81/19/48/1422811948.db2.gz VSFFBIRYUPCHMB-ROUUACIJSA-N 2 0 392.975 3.159 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000154302887 1422869563 /nfs/dbraw/zinc/86/95/63/1422869563.db2.gz CIBSQEKDPITRIN-HSZRJFAPSA-N 2 0 399.579 3.178 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154395890 1422883531 /nfs/dbraw/zinc/88/35/31/1422883531.db2.gz IOCSBEJUKHSHBI-FQEVSTJZSA-N 2 0 384.524 3.017 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000154503388 1422897784 /nfs/dbraw/zinc/89/77/84/1422897784.db2.gz OYEQRKJHMFIWAH-UHFFFAOYSA-N 2 0 393.019 3.312 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000154545976 1422918817 /nfs/dbraw/zinc/91/88/17/1422918817.db2.gz IVLXGCXGEACFLX-GOSISDBHSA-N 2 0 387.547 3.388 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000154660813 1422988918 /nfs/dbraw/zinc/98/89/18/1422988918.db2.gz XXMPOCQDWVNRLT-QWFCFKBJSA-N 2 0 378.992 3.170 20 0 GGADRP Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000154661750 1422991845 /nfs/dbraw/zinc/99/18/45/1422991845.db2.gz FPIFRIZSCWEBNL-HXUWFJFHSA-N 2 0 384.524 3.360 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N3CCc4sccc4C3)C2)CC1 ZINC000154709055 1423008226 /nfs/dbraw/zinc/00/82/26/1423008226.db2.gz XOMUNUJBVIKDCD-LJQANCHMSA-N 2 0 389.609 3.467 20 0 GGADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154736224 1423016179 /nfs/dbraw/zinc/01/61/79/1423016179.db2.gz SWFRHLMXGGLLJG-VXKWHMMOSA-N 2 0 390.568 3.017 20 0 GGADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000154841385 1423051047 /nfs/dbraw/zinc/05/10/47/1423051047.db2.gz KRCPDKQYNDRQTF-INIZCTEOSA-N 2 0 389.569 3.006 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154946743 1423088416 /nfs/dbraw/zinc/08/84/16/1423088416.db2.gz MYMOXAAJNNAECR-FGZHOGPDSA-N 2 0 384.568 3.483 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000155070669 1423145418 /nfs/dbraw/zinc/14/54/18/1423145418.db2.gz NSWYBTMONLKEMI-HOTGVXAUSA-N 2 0 388.581 3.414 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000155070863 1423145513 /nfs/dbraw/zinc/14/55/13/1423145513.db2.gz NSWYBTMONLKEMI-CVEARBPZSA-N 2 0 388.581 3.414 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000155411465 1423352553 /nfs/dbraw/zinc/35/25/53/1423352553.db2.gz RHDWLSVVHNWJPP-NHCUHLMSSA-N 2 0 399.535 3.070 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000155411354 1423353244 /nfs/dbraw/zinc/35/32/44/1423353244.db2.gz RHDWLSVVHNWJPP-RTWAWAEBSA-N 2 0 399.535 3.070 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc(Br)cn1 ZINC000179916199 1429639286 /nfs/dbraw/zinc/63/92/86/1429639286.db2.gz QPDUVHBMVLSSRC-UHFFFAOYSA-N 2 0 378.318 3.237 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155561078 1423418240 /nfs/dbraw/zinc/41/82/40/1423418240.db2.gz CROWTQVMTAOMAQ-MOPGFXCFSA-N 2 0 389.588 3.237 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155569019 1423423557 /nfs/dbraw/zinc/42/35/57/1423423557.db2.gz DBNWHGCDERBGOV-VQTJNVASSA-N 2 0 383.584 3.474 20 0 GGADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155658074 1423471919 /nfs/dbraw/zinc/47/19/19/1423471919.db2.gz PCHAVHJSECNBQZ-MAUKXSAKSA-N 2 0 398.389 3.469 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000155694774 1423490670 /nfs/dbraw/zinc/49/06/70/1423490670.db2.gz VBKSFXNQKFERHO-UHFFFAOYSA-N 2 0 391.003 3.316 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000155708266 1423499092 /nfs/dbraw/zinc/49/90/92/1423499092.db2.gz OHQDYWGDAGSVSR-MHZLTWQESA-N 2 0 386.561 3.434 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000155757035 1423520925 /nfs/dbraw/zinc/52/09/25/1423520925.db2.gz NPSFBLCVNFPTBG-UHFFFAOYSA-N 2 0 380.536 3.138 20 0 GGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000155770661 1423526834 /nfs/dbraw/zinc/52/68/34/1423526834.db2.gz CQAAFFKVPDFJIO-IBGZPJMESA-N 2 0 387.568 3.267 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cnc3ccc(C)cn23)CC1 ZINC000155864927 1423567789 /nfs/dbraw/zinc/56/77/89/1423567789.db2.gz KAHFOKRDXXFORZ-UHFFFAOYSA-N 2 0 377.536 3.070 20 0 GGADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000156090962 1423667474 /nfs/dbraw/zinc/66/74/74/1423667474.db2.gz JIQQPMLOSQCRRP-QGZVFWFLSA-N 2 0 398.526 3.130 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156311736 1423771826 /nfs/dbraw/zinc/77/18/26/1423771826.db2.gz NZJIEYDJJOQPFB-XZOQPEGZSA-N 2 0 398.595 3.483 20 0 GGADRP CC[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156311603 1423771903 /nfs/dbraw/zinc/77/19/03/1423771903.db2.gz NZJIEYDJJOQPFB-PKTZIBPZSA-N 2 0 398.595 3.483 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156311720 1423772070 /nfs/dbraw/zinc/77/20/70/1423772070.db2.gz ZKGNGHSSKNPNDJ-SFHVURJKSA-N 2 0 377.529 3.116 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000156680398 1423847007 /nfs/dbraw/zinc/84/70/07/1423847007.db2.gz UPQVACTVCLWYEX-KAGYGMCKSA-N 2 0 384.568 3.165 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156785533 1423864548 /nfs/dbraw/zinc/86/45/48/1423864548.db2.gz BQBDMDYMMWDMGG-SIKLNZKXSA-N 2 0 384.568 3.093 20 0 GGADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895194 1423882172 /nfs/dbraw/zinc/88/21/72/1423882172.db2.gz YVSLQGFYNXWOKC-NZQKXSOJSA-N 2 0 377.532 3.469 20 0 GGADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156926526 1423887080 /nfs/dbraw/zinc/88/70/80/1423887080.db2.gz LJCTWZRFVRGIRX-UWJYYQICSA-N 2 0 383.511 3.244 20 0 GGADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000157046332 1423910283 /nfs/dbraw/zinc/91/02/83/1423910283.db2.gz CNTAKIWSMLLNGS-KCZVDYSFSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000157046614 1423910418 /nfs/dbraw/zinc/91/04/18/1423910418.db2.gz CNTAKIWSMLLNGS-SJBKTWHCSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000157157152 1423940465 /nfs/dbraw/zinc/94/04/65/1423940465.db2.gz IOXGOEZBWULHQI-HXUWFJFHSA-N 2 0 398.555 3.061 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322395 1423984625 /nfs/dbraw/zinc/98/46/25/1423984625.db2.gz FDRDUTBQHKWVCS-HKUYNNGSSA-N 2 0 380.602 3.408 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000157355680 1423993368 /nfs/dbraw/zinc/99/33/68/1423993368.db2.gz PGVYHVKPTQZJSA-LJQANCHMSA-N 2 0 393.597 3.002 20 0 GGADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000157355851 1423993472 /nfs/dbraw/zinc/99/34/72/1423993472.db2.gz PGVYHVKPTQZJSA-IBGZPJMESA-N 2 0 393.597 3.002 20 0 GGADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000157413730 1424006309 /nfs/dbraw/zinc/00/63/09/1424006309.db2.gz CJKDQYUHNURSAS-HXUWFJFHSA-N 2 0 376.589 3.301 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157475728 1424019129 /nfs/dbraw/zinc/01/91/29/1424019129.db2.gz QPVQXNOVHORVMJ-ZCNNSNEGSA-N 2 0 378.605 3.403 20 0 GGADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000157489691 1424022518 /nfs/dbraw/zinc/02/25/18/1424022518.db2.gz AQSSMKZFTBAVFW-UHFFFAOYSA-N 2 0 379.976 3.299 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000157706355 1424069781 /nfs/dbraw/zinc/06/97/81/1424069781.db2.gz HTQVOWVWYPXBRJ-INIZCTEOSA-N 2 0 382.936 3.228 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1S(C)(=O)=O ZINC000157871439 1424109118 /nfs/dbraw/zinc/10/91/18/1424109118.db2.gz LAKLXYOGQUKMBT-SJORKVTESA-N 2 0 382.570 3.404 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccco1 ZINC000157928724 1424122103 /nfs/dbraw/zinc/12/21/03/1424122103.db2.gz GLGNHNWOOLCIET-MOPGFXCFSA-N 2 0 376.545 3.322 20 0 GGADRP CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000157969833 1424131701 /nfs/dbraw/zinc/13/17/01/1424131701.db2.gz OCKOFNMLGBVYMP-QGZVFWFLSA-N 2 0 380.508 3.104 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000158171961 1424186306 /nfs/dbraw/zinc/18/63/06/1424186306.db2.gz GDNPHAHIHLBNJN-IBGZPJMESA-N 2 0 393.597 3.389 20 0 GGADRP COc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000158443907 1424256084 /nfs/dbraw/zinc/25/60/84/1424256084.db2.gz CTLSGLAGLQBRDK-KRWDZBQOSA-N 2 0 384.524 3.010 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000158474035 1424267207 /nfs/dbraw/zinc/26/72/07/1424267207.db2.gz VBVGXYNCFKIWNY-PMACEKPBSA-N 2 0 388.556 3.385 20 0 GGADRP COc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1SC ZINC000158508198 1424275372 /nfs/dbraw/zinc/27/53/72/1424275372.db2.gz KDYGJTFGIYFYDD-MRXNPFEDSA-N 2 0 386.565 3.415 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158579625 1424295061 /nfs/dbraw/zinc/29/50/61/1424295061.db2.gz KCPOEHLYFDPMPK-KURKYZTESA-N 2 0 381.586 3.467 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158672035 1424314798 /nfs/dbraw/zinc/31/47/98/1424314798.db2.gz HVUGMWYUMUQRMH-RDPSFJRHSA-N 2 0 397.563 3.179 20 0 GGADRP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158877617 1424362350 /nfs/dbraw/zinc/36/23/50/1424362350.db2.gz CDPRXTYEYURSSO-CKEIUWERSA-N 2 0 385.430 3.328 20 0 GGADRP Cc1nccn1CCCN(C)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000158975458 1424385116 /nfs/dbraw/zinc/38/51/16/1424385116.db2.gz YZJSSSOGQSDKJW-UHFFFAOYSA-N 2 0 382.468 3.021 20 0 GGADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000158994341 1424390073 /nfs/dbraw/zinc/39/00/73/1424390073.db2.gz RYEXBNSVPGBLOE-SFHVURJKSA-N 2 0 397.966 3.126 20 0 GGADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000159015314 1424396464 /nfs/dbraw/zinc/39/64/64/1424396464.db2.gz XRXRRWKQQRQGCQ-KRWDZBQOSA-N 2 0 390.549 3.271 20 0 GGADRP CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)ncn1 ZINC000159023994 1424398554 /nfs/dbraw/zinc/39/85/54/1424398554.db2.gz FPHRILOUTHNGFW-GOSISDBHSA-N 2 0 397.567 3.299 20 0 GGADRP CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)ncn1 ZINC000159023868 1424398802 /nfs/dbraw/zinc/39/88/02/1424398802.db2.gz FPHRILOUTHNGFW-SFHVURJKSA-N 2 0 397.567 3.299 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(OC(F)F)c1 ZINC000159157334 1424430908 /nfs/dbraw/zinc/43/09/08/1424430908.db2.gz FXVWQJYYQLNZNS-HNNXBMFYSA-N 2 0 376.451 3.286 20 0 GGADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159168091 1424433461 /nfs/dbraw/zinc/43/34/61/1424433461.db2.gz AFISDMYFTASBJG-SFHVURJKSA-N 2 0 390.535 3.178 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000180077732 1429727536 /nfs/dbraw/zinc/72/75/36/1429727536.db2.gz MRKMHBQJBUSSHK-HXUWFJFHSA-N 2 0 377.891 3.054 20 0 GGADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000159821431 1424539898 /nfs/dbraw/zinc/53/98/98/1424539898.db2.gz YZBARDJHBPHKST-ROUUACIJSA-N 2 0 384.568 3.444 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc2ccccc2n1C ZINC000180098083 1429736834 /nfs/dbraw/zinc/73/68/34/1429736834.db2.gz GSUFJMHDFRKUGH-QGZVFWFLSA-N 2 0 378.520 3.381 20 0 GGADRP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000160609486 1424618967 /nfs/dbraw/zinc/61/89/67/1424618967.db2.gz ZZNGRJBUCASNLX-OALUTQOASA-N 2 0 398.661 3.497 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCCNc2ccccn2)CC1 ZINC000180119332 1429745417 /nfs/dbraw/zinc/74/54/17/1429745417.db2.gz NMNUHHBRQBTMKK-UHFFFAOYSA-N 2 0 387.959 3.469 20 0 GGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000161733080 1424754002 /nfs/dbraw/zinc/75/40/02/1424754002.db2.gz YEOQYEKYOCEASD-WMZHIEFXSA-N 2 0 395.547 3.485 20 0 GGADRP CCc1nc(CN2CCC(C[NH2+]C3CCN(CC(F)F)CC3)CC2)cs1 ZINC000161782609 1424763211 /nfs/dbraw/zinc/76/32/11/1424763211.db2.gz FANJDWKNMKOYOX-UHFFFAOYSA-N 2 0 386.556 3.237 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CCC(C)C)c1C ZINC000162030092 1424810549 /nfs/dbraw/zinc/81/05/49/1424810549.db2.gz UYGUCCWLZZRMPO-LJQANCHMSA-N 2 0 392.592 3.117 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)nc(C)n1 ZINC000162225156 1424828075 /nfs/dbraw/zinc/82/80/75/1424828075.db2.gz UQHNOVXTBUIRAF-GOSISDBHSA-N 2 0 397.567 3.353 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@](C)(O)c2ccsc2)CC1 ZINC000180142785 1429757314 /nfs/dbraw/zinc/75/73/14/1429757314.db2.gz BHLKVEZCZDIXJS-IBGZPJMESA-N 2 0 379.957 3.151 20 0 GGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162490107 1424858687 /nfs/dbraw/zinc/85/86/87/1424858687.db2.gz QNSUAYAEACNDKQ-OAHLLOKOSA-N 2 0 390.915 3.182 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000162512643 1424860562 /nfs/dbraw/zinc/86/05/62/1424860562.db2.gz DRRFJKRMGYTROF-ROUUACIJSA-N 2 0 378.586 3.162 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162529177 1424862392 /nfs/dbraw/zinc/86/23/92/1424862392.db2.gz QYTVKCRWGZNVBW-QHCPKHFHSA-N 2 0 385.527 3.345 20 0 GGADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745482 1424886918 /nfs/dbraw/zinc/88/69/18/1424886918.db2.gz ARBMFENRHAFLAL-KRWDZBQOSA-N 2 0 375.538 3.231 20 0 GGADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)oc1C ZINC000162788026 1424890404 /nfs/dbraw/zinc/89/04/04/1424890404.db2.gz ZXTJISDRVYTXPC-KRWDZBQOSA-N 2 0 394.523 3.435 20 0 GGADRP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000162939706 1424909711 /nfs/dbraw/zinc/90/97/11/1424909711.db2.gz VHFNTVCLIHSFQG-COKJOHSESA-N 2 0 377.598 3.391 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000163505989 1425009191 /nfs/dbraw/zinc/00/91/91/1425009191.db2.gz XNJVOZHRAXPEPO-SFHVURJKSA-N 2 0 375.582 3.440 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000163509125 1425009748 /nfs/dbraw/zinc/00/97/48/1425009748.db2.gz XYIFWONFHKHLKF-FQEVSTJZSA-N 2 0 387.568 3.289 20 0 GGADRP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000163518610 1425011780 /nfs/dbraw/zinc/01/17/80/1425011780.db2.gz KZFZTZZFUKVPPX-KRWDZBQOSA-N 2 0 375.557 3.363 20 0 GGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163526474 1425012520 /nfs/dbraw/zinc/01/25/20/1425012520.db2.gz DAGKPFJXXNGBPR-ROUUACIJSA-N 2 0 389.584 3.404 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000163529952 1425012640 /nfs/dbraw/zinc/01/26/40/1425012640.db2.gz ATXNNYBALBFQEW-GOSISDBHSA-N 2 0 397.567 3.150 20 0 GGADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCC2 ZINC000163533703 1425013632 /nfs/dbraw/zinc/01/36/32/1425013632.db2.gz QBBLTXZIKMPDED-INIZCTEOSA-N 2 0 378.586 3.045 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1N(C)C ZINC000163535801 1425013903 /nfs/dbraw/zinc/01/39/03/1425013903.db2.gz AXVYQYZBAHCIQO-MRXNPFEDSA-N 2 0 392.563 3.169 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000163579085 1425019923 /nfs/dbraw/zinc/01/99/23/1425019923.db2.gz KGSVZFLIPUCUEQ-QGZVFWFLSA-N 2 0 389.565 3.287 20 0 GGADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000163587855 1425021588 /nfs/dbraw/zinc/02/15/88/1425021588.db2.gz VXVLQSLXUGUPNE-KRWDZBQOSA-N 2 0 381.586 3.003 20 0 GGADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000163587976 1425021779 /nfs/dbraw/zinc/02/17/79/1425021779.db2.gz VXVLQSLXUGUPNE-QGZVFWFLSA-N 2 0 381.586 3.003 20 0 GGADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000163601002 1425023297 /nfs/dbraw/zinc/02/32/97/1425023297.db2.gz ARHDNFIUEZTIJV-KRWDZBQOSA-N 2 0 381.586 3.003 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000163707179 1425036733 /nfs/dbraw/zinc/03/67/33/1425036733.db2.gz CJQBKWRJMGRQOO-FQEVSTJZSA-N 2 0 397.563 3.310 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000163789152 1425044385 /nfs/dbraw/zinc/04/43/85/1425044385.db2.gz KDZMWTWSEMNGMQ-GCJKJVERSA-N 2 0 380.536 3.068 20 0 GGADRP COCCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000180161903 1429772806 /nfs/dbraw/zinc/77/28/06/1429772806.db2.gz YOYGTFLVFSOSEY-YQQQUEKLSA-N 2 0 381.561 3.007 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163950079 1425061764 /nfs/dbraw/zinc/06/17/64/1425061764.db2.gz SUXHVEFWERFHAJ-SFHVURJKSA-N 2 0 376.508 3.499 20 0 GGADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C)n1 ZINC000163954841 1425061803 /nfs/dbraw/zinc/06/18/03/1425061803.db2.gz HWCPRFYQFXOQCF-KRWDZBQOSA-N 2 0 398.551 3.434 20 0 GGADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163975551 1425064837 /nfs/dbraw/zinc/06/48/37/1425064837.db2.gz UIDQUXFAUZVISL-IBGZPJMESA-N 2 0 390.568 3.471 20 0 GGADRP [NH3+]C1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCCC1 ZINC000163995012 1425066923 /nfs/dbraw/zinc/06/69/23/1425066923.db2.gz BPMQPGUEOIGVOH-UHFFFAOYSA-N 2 0 383.458 3.401 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000164258388 1425093073 /nfs/dbraw/zinc/09/30/73/1425093073.db2.gz AHXOVWLFGNDWDL-KSZLIROESA-N 2 0 388.556 3.037 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000164520551 1425120349 /nfs/dbraw/zinc/12/03/49/1425120349.db2.gz JUVNTTUFSGOHEW-WMZOPIPTSA-N 2 0 377.529 3.287 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000164538777 1425121022 /nfs/dbraw/zinc/12/10/22/1425121022.db2.gz UAAZRBDVLGGAJB-UHFFFAOYSA-N 2 0 395.522 3.228 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000164627302 1425130430 /nfs/dbraw/zinc/13/04/30/1425130430.db2.gz YLCRQLYXQXVQCO-KRWDZBQOSA-N 2 0 382.570 3.406 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000164918442 1425151032 /nfs/dbraw/zinc/15/10/32/1425151032.db2.gz QIZFRYJFKJQHFJ-OAQYLSRUSA-N 2 0 382.552 3.096 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165284652 1425173307 /nfs/dbraw/zinc/17/33/07/1425173307.db2.gz WRNUNJOKJQXVLP-MSOLQXFVSA-N 2 0 381.586 3.100 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165284533 1425173494 /nfs/dbraw/zinc/17/34/94/1425173494.db2.gz WRNUNJOKJQXVLP-QZTJIDSGSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000165326477 1425175162 /nfs/dbraw/zinc/17/51/62/1425175162.db2.gz BOALGSGHIJINPO-RBUKOAKNSA-N 2 0 393.597 3.244 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000165326342 1425175550 /nfs/dbraw/zinc/17/55/50/1425175550.db2.gz BOALGSGHIJINPO-MOPGFXCFSA-N 2 0 393.597 3.244 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343590 1425176437 /nfs/dbraw/zinc/17/64/37/1425176437.db2.gz KBTAAFFWYYVVDF-CTNGQTDRSA-N 2 0 375.520 3.483 20 0 GGADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000165345966 1425176696 /nfs/dbraw/zinc/17/66/96/1425176696.db2.gz VAFLBNPSYZAJIF-QHCPKHFHSA-N 2 0 378.564 3.200 20 0 GGADRP CC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000165596367 1425187909 /nfs/dbraw/zinc/18/79/09/1425187909.db2.gz AXRBGCHZFZXLON-QAPCUYQASA-N 2 0 385.474 3.362 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000165762986 1425195274 /nfs/dbraw/zinc/19/52/74/1425195274.db2.gz XXEKAJWRRZKGKP-JKSUJKDBSA-N 2 0 382.499 3.083 20 0 GGADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1Cl ZINC000165917528 1425201144 /nfs/dbraw/zinc/20/11/44/1425201144.db2.gz MDNPDBAEHLRYET-UHFFFAOYSA-N 2 0 390.915 3.259 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000165933309 1425202327 /nfs/dbraw/zinc/20/23/27/1425202327.db2.gz RNPGYZZNNHCGMR-KDOFPFPSSA-N 2 0 379.936 3.237 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000165933048 1425202345 /nfs/dbraw/zinc/20/23/45/1425202345.db2.gz RNPGYZZNNHCGMR-KSSFIOAISA-N 2 0 379.936 3.237 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955447 1425203334 /nfs/dbraw/zinc/20/33/34/1425203334.db2.gz WEXYWENCSQWYAX-AEFFLSMTSA-N 2 0 383.964 3.184 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)c2)CC1 ZINC000166421335 1425212718 /nfs/dbraw/zinc/21/27/18/1425212718.db2.gz WOEWFYZLUMGBSV-HSZRJFAPSA-N 2 0 377.532 3.249 20 0 GGADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)CC1 ZINC000166440683 1425213266 /nfs/dbraw/zinc/21/32/66/1425213266.db2.gz YZLZMLOFXFIKPB-OAQYLSRUSA-N 2 0 383.580 3.278 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166536004 1425213853 /nfs/dbraw/zinc/21/38/53/1425213853.db2.gz FUHUPEWWFPNSMZ-PZJWPPBQSA-N 2 0 376.976 3.069 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000166704615 1425216782 /nfs/dbraw/zinc/21/67/82/1425216782.db2.gz KASSBWCCQDJBCS-UHFFFAOYSA-N 2 0 398.576 3.256 20 0 GGADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000166766573 1425217352 /nfs/dbraw/zinc/21/73/52/1425217352.db2.gz LDQIYVIYQBSTEO-UHFFFAOYSA-N 2 0 380.492 3.212 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000167431984 1425225664 /nfs/dbraw/zinc/22/56/64/1425225664.db2.gz VXMYWWBRIHHVIR-SJORKVTESA-N 2 0 390.547 3.320 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000167431675 1425225818 /nfs/dbraw/zinc/22/58/18/1425225818.db2.gz VXMYWWBRIHHVIR-DLBZAZTESA-N 2 0 390.547 3.320 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)C1CC[NH+](C)CC1 ZINC000167446529 1425226692 /nfs/dbraw/zinc/22/66/92/1425226692.db2.gz YAEOLJAVOLSCOT-KRWDZBQOSA-N 2 0 381.524 3.223 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000167544613 1425227293 /nfs/dbraw/zinc/22/72/93/1425227293.db2.gz BYJBROYEWCWUPE-REWPJTCUSA-N 2 0 391.559 3.477 20 0 GGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167843679 1425231644 /nfs/dbraw/zinc/23/16/44/1425231644.db2.gz IDKWWGBUALMGRP-NRFANRHFSA-N 2 0 385.939 3.238 20 0 GGADRP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168189267 1425236010 /nfs/dbraw/zinc/23/60/10/1425236010.db2.gz XGIGZEZJFOATKF-SFHVURJKSA-N 2 0 383.515 3.124 20 0 GGADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941257 1425241265 /nfs/dbraw/zinc/24/12/65/1425241265.db2.gz PLAMSBUVNTXPQA-LJQANCHMSA-N 2 0 398.016 3.247 20 0 GGADRP O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000170643245 1425272251 /nfs/dbraw/zinc/27/22/51/1425272251.db2.gz FBCKMPLAYXDWAI-UHFFFAOYSA-N 2 0 378.451 3.360 20 0 GGADRP C(=C/CN1CCC[C@H]1C[NH+]1CCCCC1)\CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170784818 1425342395 /nfs/dbraw/zinc/34/23/95/1425342395.db2.gz AHIHOYCJHZYUKB-QQDBUXDWSA-N 2 0 388.644 3.443 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000170830730 1425358565 /nfs/dbraw/zinc/35/85/65/1425358565.db2.gz JCMOMLUITOVBHN-OAQYLSRUSA-N 2 0 393.531 3.466 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000170830727 1425358662 /nfs/dbraw/zinc/35/86/62/1425358662.db2.gz JCMOMLUITOVBHN-NRFANRHFSA-N 2 0 393.531 3.466 20 0 GGADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171016077 1425438046 /nfs/dbraw/zinc/43/80/46/1425438046.db2.gz UHOHUMHBSBLRQI-UHFFFAOYSA-N 2 0 398.595 3.211 20 0 GGADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171037941 1425449485 /nfs/dbraw/zinc/44/94/85/1425449485.db2.gz GPZJETJGKQWPBB-VQTJNVASSA-N 2 0 390.959 3.357 20 0 GGADRP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000171276761 1425589429 /nfs/dbraw/zinc/58/94/29/1425589429.db2.gz GKYMTZVJHCTPDV-CGBFIWBNSA-N 2 0 385.552 3.352 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1)c1ccccc1 ZINC000171478615 1425699507 /nfs/dbraw/zinc/69/95/07/1425699507.db2.gz VWRREGRRBLYUIW-JOCHJYFZSA-N 2 0 380.536 3.460 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000171633268 1425766655 /nfs/dbraw/zinc/76/66/55/1425766655.db2.gz VEBTWXMQKYBQBS-NRFANRHFSA-N 2 0 384.568 3.093 20 0 GGADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656338 1425777889 /nfs/dbraw/zinc/77/78/89/1425777889.db2.gz QRLBQRNJFKUIBU-CQSZACIVSA-N 2 0 387.446 3.036 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000171658472 1425778430 /nfs/dbraw/zinc/77/84/30/1425778430.db2.gz FCOYPNMPFZKYMR-UHFFFAOYSA-N 2 0 381.520 3.369 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000171768006 1425815224 /nfs/dbraw/zinc/81/52/24/1425815224.db2.gz QNNAQPRAFPAKMN-OAQYLSRUSA-N 2 0 376.589 3.205 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171832424 1425831176 /nfs/dbraw/zinc/83/11/76/1425831176.db2.gz CMCUQBMCJPFFSK-UHFFFAOYSA-N 2 0 387.572 3.001 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000172085395 1425893339 /nfs/dbraw/zinc/89/33/39/1425893339.db2.gz SEKWCCKSSCXIBX-HSZRJFAPSA-N 2 0 395.547 3.326 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000172496740 1426059747 /nfs/dbraw/zinc/05/97/47/1426059747.db2.gz IDBAYOKKZOPOOO-QFIPXVFZSA-N 2 0 398.595 3.308 20 0 GGADRP Cc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000172500971 1426060909 /nfs/dbraw/zinc/06/09/09/1426060909.db2.gz AFXYBFCITGHLLQ-UHFFFAOYSA-N 2 0 376.545 3.177 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172514270 1426066564 /nfs/dbraw/zinc/06/65/64/1426066564.db2.gz HBCBXDDCJCULOM-HXUWFJFHSA-N 2 0 388.556 3.467 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172539242 1426078918 /nfs/dbraw/zinc/07/89/18/1426078918.db2.gz BCUWJPGDOCAAHA-UHFFFAOYSA-N 2 0 384.568 3.442 20 0 GGADRP C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000172550016 1426082874 /nfs/dbraw/zinc/08/28/74/1426082874.db2.gz MJZBNFCULWJOPN-IBGZPJMESA-N 2 0 384.568 3.093 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000172556844 1426085979 /nfs/dbraw/zinc/08/59/79/1426085979.db2.gz JOKAFAQNGCWCAK-HXUWFJFHSA-N 2 0 376.520 3.088 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172582249 1426097481 /nfs/dbraw/zinc/09/74/81/1426097481.db2.gz KVTNVIQOTBOCQZ-QFIPXVFZSA-N 2 0 398.595 3.211 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000172683162 1426141224 /nfs/dbraw/zinc/14/12/24/1426141224.db2.gz GLZSZQASODWDSK-FQEVSTJZSA-N 2 0 399.583 3.087 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000172747032 1426172432 /nfs/dbraw/zinc/17/24/32/1426172432.db2.gz CCFKHXWHIUIYOP-UHFFFAOYSA-N 2 0 378.586 3.206 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000173141313 1426361965 /nfs/dbraw/zinc/36/19/65/1426361965.db2.gz WHVWJQXHUNZBDI-GOSISDBHSA-N 2 0 376.545 3.213 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000173141434 1426362076 /nfs/dbraw/zinc/36/20/76/1426362076.db2.gz QLPODJPFLHDVSZ-LJQANCHMSA-N 2 0 376.545 3.355 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173290471 1426468839 /nfs/dbraw/zinc/46/88/39/1426468839.db2.gz PMEOZAKEEQETDP-GOSISDBHSA-N 2 0 388.556 3.040 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000173323565 1426506592 /nfs/dbraw/zinc/50/65/92/1426506592.db2.gz GZKORVOZBUCXRA-GMAHTHKFSA-N 2 0 394.563 3.453 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000173376054 1426549111 /nfs/dbraw/zinc/54/91/11/1426549111.db2.gz LQCITPQNKPRXIP-IEBWSBKVSA-N 2 0 390.597 3.281 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000173476390 1426650832 /nfs/dbraw/zinc/65/08/32/1426650832.db2.gz HZWBHFHTZIBKBA-UHFFFAOYSA-N 2 0 376.545 3.321 20 0 GGADRP COc1cc(NC(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)cc1Cl ZINC000173477900 1426652034 /nfs/dbraw/zinc/65/20/34/1426652034.db2.gz HNPZTBHFDGEOMY-UHFFFAOYSA-N 2 0 397.947 3.350 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000173556428 1426728507 /nfs/dbraw/zinc/72/85/07/1426728507.db2.gz KPKPBQGLFDFFRP-UHFFFAOYSA-N 2 0 389.588 3.377 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000173557930 1426729595 /nfs/dbraw/zinc/72/95/95/1426729595.db2.gz QIIGLSRJENOJJH-HXUWFJFHSA-N 2 0 392.975 3.430 20 0 GGADRP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643308 1426808072 /nfs/dbraw/zinc/80/80/72/1426808072.db2.gz BLWQDOYZYAEDTB-IRXDYDNUSA-N 2 0 388.581 3.449 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC4)c2)C1 ZINC000173838045 1426865572 /nfs/dbraw/zinc/86/55/72/1426865572.db2.gz PNLGZLKJTAYTOW-QHCPKHFHSA-N 2 0 377.532 3.162 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC000173839528 1426866178 /nfs/dbraw/zinc/86/61/78/1426866178.db2.gz VJXDUMACYVOLSS-UHFFFAOYSA-N 2 0 377.532 3.291 20 0 GGADRP CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000173864079 1426874560 /nfs/dbraw/zinc/87/45/60/1426874560.db2.gz HDFANKXAOOHWAH-GHTZIAJQSA-N 2 0 389.609 3.229 20 0 GGADRP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2CN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173885594 1426881244 /nfs/dbraw/zinc/88/12/44/1426881244.db2.gz OVYMLUOFWOXPCW-FGZHOGPDSA-N 3 0 386.628 3.234 20 0 GGADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000173954603 1426907394 /nfs/dbraw/zinc/90/73/94/1426907394.db2.gz GXEGQQKRYOSMGV-IBGZPJMESA-N 2 0 386.458 3.316 20 0 GGADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957133 1426909190 /nfs/dbraw/zinc/90/91/90/1426909190.db2.gz CZMZHBUATLSIQS-UHFFFAOYSA-N 2 0 387.568 3.000 20 0 GGADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173963103 1426912724 /nfs/dbraw/zinc/91/27/24/1426912724.db2.gz JRFCDQFVEDHQCX-LJQANCHMSA-N 2 0 395.588 3.210 20 0 GGADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962781 1426912841 /nfs/dbraw/zinc/91/28/41/1426912841.db2.gz CRXBYNDPVATCCG-PMACEKPBSA-N 2 0 387.568 3.138 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000174046962 1426970145 /nfs/dbraw/zinc/97/01/45/1426970145.db2.gz WOVITIOPDDMIFS-HNNXBMFYSA-N 2 0 391.462 3.430 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174049710 1426971995 /nfs/dbraw/zinc/97/19/95/1426971995.db2.gz OELZZGUVMMMGRK-HSZRJFAPSA-N 2 0 392.547 3.217 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000174093249 1426998080 /nfs/dbraw/zinc/99/80/80/1426998080.db2.gz YLCQZYJPVHXXFA-OAQYLSRUSA-N 2 0 387.568 3.459 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174118961 1427009743 /nfs/dbraw/zinc/00/97/43/1427009743.db2.gz OOQRBWQYVAOAOI-LJQANCHMSA-N 2 0 390.547 3.163 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174118308 1427009844 /nfs/dbraw/zinc/00/98/44/1427009844.db2.gz FBIITPZYICRUPZ-ROUUACIJSA-N 2 0 376.570 3.012 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174157544 1427024473 /nfs/dbraw/zinc/02/44/73/1427024473.db2.gz QKGOZJJJFDKKKT-FGZHOGPDSA-N 2 0 386.584 3.067 20 0 GGADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000174156399 1427024526 /nfs/dbraw/zinc/02/45/26/1427024526.db2.gz ABODXUGALZXWGV-SFHVURJKSA-N 2 0 395.425 3.164 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000174216786 1427055331 /nfs/dbraw/zinc/05/53/31/1427055331.db2.gz FUBBZPPSZJIICQ-UNMCSNQZSA-N 2 0 384.568 3.259 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC000174216771 1427055359 /nfs/dbraw/zinc/05/53/59/1427055359.db2.gz FUBBZPPSZJIICQ-RBBKRZOGSA-N 2 0 384.568 3.259 20 0 GGADRP Cc1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1C ZINC000174241922 1427065678 /nfs/dbraw/zinc/06/56/78/1427065678.db2.gz DTLLRCAAXLECQC-UHFFFAOYSA-N 2 0 384.520 3.487 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174267585 1427077139 /nfs/dbraw/zinc/07/71/39/1427077139.db2.gz WOBLQIISGYJEGI-WOJBJXKFSA-N 2 0 384.568 3.339 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000174345250 1427111915 /nfs/dbraw/zinc/11/19/15/1427111915.db2.gz DXWDFQQIKPBDGL-QFIPXVFZSA-N 2 0 386.584 3.414 20 0 GGADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398400 1427138384 /nfs/dbraw/zinc/13/83/84/1427138384.db2.gz OLAGETUGFMUXTD-FQEVSTJZSA-N 2 0 391.515 3.127 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174421134 1427150135 /nfs/dbraw/zinc/15/01/35/1427150135.db2.gz SWBNWJLNIGPMPX-FQEVSTJZSA-N 2 0 395.975 3.015 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(F)F ZINC000174498894 1427184263 /nfs/dbraw/zinc/18/42/63/1427184263.db2.gz LFQCBKDFERUXTM-HNNXBMFYSA-N 2 0 384.471 3.168 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(F)F ZINC000174498876 1427184631 /nfs/dbraw/zinc/18/46/31/1427184631.db2.gz LFQCBKDFERUXTM-OAHLLOKOSA-N 2 0 384.471 3.168 20 0 GGADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568874 1427229274 /nfs/dbraw/zinc/22/92/74/1427229274.db2.gz XPXNHSZBASBEJE-RTWAWAEBSA-N 2 0 387.543 3.372 20 0 GGADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000174607474 1427258498 /nfs/dbraw/zinc/25/84/98/1427258498.db2.gz SSBCSIHUHVBELR-FQEVSTJZSA-N 2 0 387.572 3.085 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000174682791 1427307677 /nfs/dbraw/zinc/30/76/77/1427307677.db2.gz XVIBKBNCXYICGN-UHFFFAOYSA-N 2 0 386.515 3.438 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000174699034 1427316864 /nfs/dbraw/zinc/31/68/64/1427316864.db2.gz COEKIFCSOLJYPE-UHFFFAOYSA-N 2 0 390.547 3.415 20 0 GGADRP CCc1cc2oc(=O)cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)c2cc1Cl ZINC000174723493 1427332166 /nfs/dbraw/zinc/33/21/66/1427332166.db2.gz TVLJWICRIXCHNR-UHFFFAOYSA-N 2 0 391.943 3.078 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000174728498 1427334752 /nfs/dbraw/zinc/33/47/52/1427334752.db2.gz YTLJYKACZVZUFL-UHFFFAOYSA-N 2 0 377.536 3.071 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000174787704 1427368125 /nfs/dbraw/zinc/36/81/25/1427368125.db2.gz AZJAHVMGLVPUTN-SFHVURJKSA-N 2 0 376.545 3.355 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000174900767 1427435057 /nfs/dbraw/zinc/43/50/57/1427435057.db2.gz LVYKYDKQJKRULM-GOSISDBHSA-N 2 0 376.545 3.192 20 0 GGADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000175011762 1427496583 /nfs/dbraw/zinc/49/65/83/1427496583.db2.gz DWHLSQMDVGRNHF-RBUKOAKNSA-N 2 0 384.524 3.211 20 0 GGADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000175011730 1427496782 /nfs/dbraw/zinc/49/67/82/1427496782.db2.gz DWHLSQMDVGRNHF-OALUTQOASA-N 2 0 384.524 3.211 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175237066 1427618778 /nfs/dbraw/zinc/61/87/78/1427618778.db2.gz HMRCQMVPZBXTGN-JOCHJYFZSA-N 2 0 398.595 3.414 20 0 GGADRP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCCCC1 ZINC000175249183 1427624732 /nfs/dbraw/zinc/62/47/32/1427624732.db2.gz YDOSKFBNTQKYSY-AZUAARDMSA-N 2 0 385.552 3.355 20 0 GGADRP C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+]1CCCCCC1 ZINC000175249240 1427625566 /nfs/dbraw/zinc/62/55/66/1427625566.db2.gz YDOSKFBNTQKYSY-QUCCMNQESA-N 2 0 385.552 3.355 20 0 GGADRP C[C@@H](CCNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000175301764 1427661018 /nfs/dbraw/zinc/66/10/18/1427661018.db2.gz HWHUPHYJDKUYAC-IBGZPJMESA-N 2 0 382.552 3.458 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175418397 1427744178 /nfs/dbraw/zinc/74/41/78/1427744178.db2.gz MJBJQHXUSFQLCI-GCJKJVERSA-N 2 0 384.568 3.213 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC000175537821 1427808206 /nfs/dbraw/zinc/80/82/06/1427808206.db2.gz TXAWBJHCVWCNJO-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000175537641 1427808387 /nfs/dbraw/zinc/80/83/87/1427808387.db2.gz BESKRZXIEUYIKY-HXUWFJFHSA-N 2 0 376.520 3.135 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000175569431 1427818080 /nfs/dbraw/zinc/81/80/80/1427818080.db2.gz PMDGDBMTDDVNPX-BJLQDIEVSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000175569449 1427818157 /nfs/dbraw/zinc/81/81/57/1427818157.db2.gz PMDGDBMTDDVNPX-GGPKGHCWSA-N 2 0 388.556 3.004 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000175569408 1427818233 /nfs/dbraw/zinc/81/82/33/1427818233.db2.gz PMDGDBMTDDVNPX-NSHGMRRFSA-N 2 0 388.556 3.004 20 0 GGADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000175579903 1427821191 /nfs/dbraw/zinc/82/11/91/1427821191.db2.gz IUOKVZAVGDOCIW-DYXWJJEUSA-N 2 0 388.556 3.004 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614481 1427832691 /nfs/dbraw/zinc/83/26/91/1427832691.db2.gz RENSWVVDWNGNIR-RTBURBONSA-N 2 0 378.605 3.451 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000175634279 1427838712 /nfs/dbraw/zinc/83/87/12/1427838712.db2.gz SXAJUAGIMYUQSR-OAQYLSRUSA-N 2 0 390.572 3.491 20 0 GGADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175754012 1427879475 /nfs/dbraw/zinc/87/94/75/1427879475.db2.gz VXYDKZMHGXNJNR-LJQANCHMSA-N 2 0 396.620 3.029 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000175765759 1427883852 /nfs/dbraw/zinc/88/38/52/1427883852.db2.gz PBCHHXNSNHUAAG-IBGZPJMESA-N 2 0 387.568 3.288 20 0 GGADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000175780681 1427889875 /nfs/dbraw/zinc/88/98/75/1427889875.db2.gz URUIKUAHVWQXEC-UXHICEINSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000175780702 1427889925 /nfs/dbraw/zinc/88/99/25/1427889925.db2.gz URUIKUAHVWQXEC-PMACEKPBSA-N 2 0 386.584 3.413 20 0 GGADRP C[N@H+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000175842692 1427925019 /nfs/dbraw/zinc/92/50/19/1427925019.db2.gz ZLNIEZQSFAVMFG-UHFFFAOYSA-N 2 0 390.547 3.354 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000175910499 1427966114 /nfs/dbraw/zinc/96/61/14/1427966114.db2.gz WTLCIMZRWBZVNT-PXNSSMCTSA-N 2 0 390.572 3.108 20 0 GGADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000175909799 1427966286 /nfs/dbraw/zinc/96/62/86/1427966286.db2.gz VDXWQAANTGVJBG-UHFFFAOYSA-N 2 0 384.568 3.167 20 0 GGADRP COc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000175910518 1427966315 /nfs/dbraw/zinc/96/63/15/1427966315.db2.gz WTLCIMZRWBZVNT-XLIONFOSSA-N 2 0 390.572 3.108 20 0 GGADRP CCOCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000175932088 1427981080 /nfs/dbraw/zinc/98/10/80/1427981080.db2.gz GVVAULMMWOZKCN-HXUWFJFHSA-N 2 0 376.545 3.103 20 0 GGADRP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000175933894 1427981712 /nfs/dbraw/zinc/98/17/12/1427981712.db2.gz IPKDUSYBROSECR-HXUWFJFHSA-N 2 0 386.584 3.414 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC000176004801 1428022430 /nfs/dbraw/zinc/02/24/30/1428022430.db2.gz DFBKKUVIZGYSIW-GOSISDBHSA-N 2 0 389.588 3.235 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CSC)cc1 ZINC000176012866 1428026865 /nfs/dbraw/zinc/02/68/65/1428026865.db2.gz JMDFAUGLNLXJRH-IBGZPJMESA-N 2 0 378.586 3.429 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176043077 1428044854 /nfs/dbraw/zinc/04/48/54/1428044854.db2.gz WWSHNKYOQSSWNL-QZTJIDSGSA-N 2 0 378.586 3.132 20 0 GGADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C(C)C)cc1 ZINC000180179943 1429785609 /nfs/dbraw/zinc/78/56/09/1429785609.db2.gz FGFPDTHBBBIWDU-QFIPXVFZSA-N 2 0 383.536 3.474 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000180312641 1429833598 /nfs/dbraw/zinc/83/35/98/1429833598.db2.gz DBMGERDWVRDHNH-FCGDIQPGSA-N 2 0 383.577 3.159 20 0 GGADRP C[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000180338632 1429839517 /nfs/dbraw/zinc/83/95/17/1429839517.db2.gz QKOCKGORJZFOQC-IBGZPJMESA-N 2 0 395.551 3.118 20 0 GGADRP C[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000180338650 1429839616 /nfs/dbraw/zinc/83/96/16/1429839616.db2.gz QKOCKGORJZFOQC-LJQANCHMSA-N 2 0 395.551 3.118 20 0 GGADRP C[C@@H]1CCC[C@](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000180358447 1429845369 /nfs/dbraw/zinc/84/53/69/1429845369.db2.gz SCOOWXPGNXGQND-GCJKJVERSA-N 2 0 387.572 3.108 20 0 GGADRP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000180394238 1429855364 /nfs/dbraw/zinc/85/53/64/1429855364.db2.gz QWYANEZDFCUOAF-IBGZPJMESA-N 2 0 387.572 3.061 20 0 GGADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000180449161 1429871650 /nfs/dbraw/zinc/87/16/50/1429871650.db2.gz DCHYEPZDMFRUMQ-KRWDZBQOSA-N 2 0 385.508 3.315 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180576147 1429905886 /nfs/dbraw/zinc/90/58/86/1429905886.db2.gz ILGCIRRBCBBKAL-CMKODMSKSA-N 2 0 395.588 3.160 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180576112 1429906029 /nfs/dbraw/zinc/90/60/29/1429906029.db2.gz ILGCIRRBCBBKAL-BJLQDIEVSA-N 2 0 395.588 3.160 20 0 GGADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000180739170 1430009571 /nfs/dbraw/zinc/00/95/71/1430009571.db2.gz VTRHGOLCIIBOFF-HXUWFJFHSA-N 2 0 389.584 3.313 20 0 GGADRP C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180738969 1430009759 /nfs/dbraw/zinc/00/97/59/1430009759.db2.gz LVDCTXTUASHKDE-FQEVSTJZSA-N 2 0 389.584 3.313 20 0 GGADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180748387 1430016421 /nfs/dbraw/zinc/01/64/21/1430016421.db2.gz LSVLMCAXUNGMHK-HSZRJFAPSA-N 2 0 399.579 3.002 20 0 GGADRP CCC[C@H](C(=O)Nc1ccccc1[C@@H](C)NC(=O)[C@@H](CCC)[NH+](C)C)[NH+](C)C ZINC000180765470 1430027095 /nfs/dbraw/zinc/02/70/95/1430027095.db2.gz OYAQFSCOZVRNOV-NSISKUIASA-N 2 0 390.572 3.263 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180771054 1430029681 /nfs/dbraw/zinc/02/96/81/1430029681.db2.gz UKXSRCSLBFUXEA-OXJNMPFZSA-N 2 0 385.483 3.222 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180771077 1430030385 /nfs/dbraw/zinc/03/03/85/1430030385.db2.gz UKXSRCSLBFUXEA-OXQOHEQNSA-N 2 0 385.483 3.222 20 0 GGADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)ncn1 ZINC000180776624 1430032792 /nfs/dbraw/zinc/03/27/92/1430032792.db2.gz KLGSREARLREJOQ-RXVVDRJESA-N 2 0 397.567 3.299 20 0 GGADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000180786314 1430039337 /nfs/dbraw/zinc/03/93/37/1430039337.db2.gz POBNJTJAMALTOX-TZIWHRDSSA-N 2 0 386.536 3.304 20 0 GGADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(OC)c1OC ZINC000180795692 1430045396 /nfs/dbraw/zinc/04/53/96/1430045396.db2.gz QYEACTHDTUWUNN-UHFFFAOYSA-N 2 0 392.540 3.037 20 0 GGADRP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1CC(F)(F)F ZINC000180834782 1430062881 /nfs/dbraw/zinc/06/28/81/1430062881.db2.gz QYLGJHHCJWERLB-KRWDZBQOSA-N 2 0 398.517 3.285 20 0 GGADRP COc1cc(-c2noc(CCCCC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)n2)ccc1O ZINC000180865389 1430076282 /nfs/dbraw/zinc/07/62/82/1430076282.db2.gz FBXKTNYYVGZLGL-WBVHZDCISA-N 2 0 388.512 3.236 20 0 GGADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)n2)ccc1O ZINC000180865371 1430076823 /nfs/dbraw/zinc/07/68/23/1430076823.db2.gz FBXKTNYYVGZLGL-DOTOQJQBSA-N 2 0 388.512 3.236 20 0 GGADRP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180933990 1430123090 /nfs/dbraw/zinc/12/30/90/1430123090.db2.gz UQQIRGJIDSQHBH-UHFFFAOYSA-N 2 0 388.600 3.288 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000180960408 1430137219 /nfs/dbraw/zinc/13/72/19/1430137219.db2.gz LYKBJMWQCNMCNS-FFGOWVMKSA-N 2 0 395.588 3.037 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000180974844 1430146109 /nfs/dbraw/zinc/14/61/09/1430146109.db2.gz IZRZBHZLALFACR-LJQANCHMSA-N 2 0 394.563 3.429 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)nc1 ZINC000180976303 1430147805 /nfs/dbraw/zinc/14/78/05/1430147805.db2.gz HZBHMWXSIQNHDS-MRXNPFEDSA-N 2 0 386.927 3.411 20 0 GGADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000180993644 1430157116 /nfs/dbraw/zinc/15/71/16/1430157116.db2.gz KUSXFAQKGLLSFJ-JITJBCMDSA-N 2 0 388.552 3.243 20 0 GGADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180997199 1430158701 /nfs/dbraw/zinc/15/87/01/1430158701.db2.gz SUTUVYYRBDFCEA-HNNXBMFYSA-N 2 0 389.927 3.491 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000180997650 1430158765 /nfs/dbraw/zinc/15/87/65/1430158765.db2.gz BIFVLHNQGUYKSI-GOSISDBHSA-N 2 0 391.519 3.015 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000180998262 1430159350 /nfs/dbraw/zinc/15/93/50/1430159350.db2.gz PFDMTTYWDKUZSE-OAHLLOKOSA-N 2 0 391.462 3.430 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1N(C)C ZINC000180998195 1430159389 /nfs/dbraw/zinc/15/93/89/1430159389.db2.gz SXEIGSAZNHQBGE-MRXNPFEDSA-N 2 0 386.515 3.034 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181027831 1430174431 /nfs/dbraw/zinc/17/44/31/1430174431.db2.gz DAVBHJIIXNVBHB-HXUWFJFHSA-N 2 0 394.563 3.471 20 0 GGADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000181117142 1430216721 /nfs/dbraw/zinc/21/67/21/1430216721.db2.gz PQYHKLSXHDLAKQ-INIZCTEOSA-N 2 0 386.540 3.305 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411040 1430291291 /nfs/dbraw/zinc/29/12/91/1430291291.db2.gz ANWHWFBBCHEZRV-HSQYWUDLSA-N 2 0 385.552 3.232 20 0 GGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000181413940 1430292014 /nfs/dbraw/zinc/29/20/14/1430292014.db2.gz DTGQQZIFTKUWFZ-ANCREPRPSA-N 2 0 397.563 3.177 20 0 GGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000181413898 1430292106 /nfs/dbraw/zinc/29/21/06/1430292106.db2.gz DTGQQZIFTKUWFZ-SPIXXRJKSA-N 2 0 397.563 3.177 20 0 GGADRP C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181507095 1430312199 /nfs/dbraw/zinc/31/21/99/1430312199.db2.gz ORAANXLAQBMZGJ-ROUUACIJSA-N 2 0 381.520 3.212 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000181518668 1430314043 /nfs/dbraw/zinc/31/40/43/1430314043.db2.gz XEGSORKTPHXEJH-OALUTQOASA-N 2 0 393.597 3.245 20 0 GGADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181531776 1430316290 /nfs/dbraw/zinc/31/62/90/1430316290.db2.gz GIQIUUCGNQRQRJ-ZLNRFVROSA-N 2 0 385.596 3.378 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000181593849 1430324938 /nfs/dbraw/zinc/32/49/38/1430324938.db2.gz SDHCARBFXBAAQW-FQEVSTJZSA-N 2 0 376.545 3.211 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000181625878 1430329902 /nfs/dbraw/zinc/32/99/02/1430329902.db2.gz SGDFKXTYRNKHPH-SFHVURJKSA-N 2 0 390.547 3.021 20 0 GGADRP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181627218 1430330165 /nfs/dbraw/zinc/33/01/65/1430330165.db2.gz IEDNIPBCBUKKJL-IRXDYDNUSA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000181634707 1430331944 /nfs/dbraw/zinc/33/19/44/1430331944.db2.gz GUQFQBZQLKVNCO-XLIONFOSSA-N 2 0 390.547 3.018 20 0 GGADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181638273 1430332741 /nfs/dbraw/zinc/33/27/41/1430332741.db2.gz HRSFZYQLBMGUHB-OKZBNKHCSA-N 2 0 392.563 3.312 20 0 GGADRP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181638314 1430332756 /nfs/dbraw/zinc/33/27/56/1430332756.db2.gz HRSFZYQLBMGUHB-BZSNNMDCSA-N 2 0 392.563 3.312 20 0 GGADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C12CCCCC2 ZINC000181670256 1430338813 /nfs/dbraw/zinc/33/88/13/1430338813.db2.gz CRPNWEAVOWQHOB-SFTDATJTSA-N 2 0 387.568 3.196 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000182052567 1430402384 /nfs/dbraw/zinc/40/23/84/1430402384.db2.gz SHMVGHQPGITOPX-HXUWFJFHSA-N 2 0 385.483 3.121 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000182215813 1430431209 /nfs/dbraw/zinc/43/12/09/1430431209.db2.gz OGFJMDJXDLQUSU-KURKYZTESA-N 2 0 376.570 3.011 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235392 1430434588 /nfs/dbraw/zinc/43/45/88/1430434588.db2.gz BRWLWVHTOQOPDS-QHOOGPDPSA-N 2 0 386.561 3.232 20 0 GGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000182251943 1430437433 /nfs/dbraw/zinc/43/74/33/1430437433.db2.gz ILJKVACNWLROTC-UZUQRXQVSA-N 2 0 381.520 3.453 20 0 GGADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259071 1430438754 /nfs/dbraw/zinc/43/87/54/1430438754.db2.gz RNVLDLPOAWARMS-SFTDATJTSA-N 2 0 382.504 3.265 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000182260802 1430438896 /nfs/dbraw/zinc/43/88/96/1430438896.db2.gz LDKUFWLVRSNQMO-QGZVFWFLSA-N 2 0 385.508 3.355 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000182260784 1430438986 /nfs/dbraw/zinc/43/89/86/1430438986.db2.gz LDKUFWLVRSNQMO-KRWDZBQOSA-N 2 0 385.508 3.355 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cnn(Cc2ccccc2)c1 ZINC000182268387 1430440192 /nfs/dbraw/zinc/44/01/92/1430440192.db2.gz OSWNKEGKTJVTGP-CYFREDJKSA-N 2 0 390.531 3.349 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269788 1430440353 /nfs/dbraw/zinc/44/03/53/1430440353.db2.gz URGRADMOZXVWTI-BEFAXECRSA-N 2 0 389.565 3.058 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272589 1430440907 /nfs/dbraw/zinc/44/09/07/1430440907.db2.gz UFVXPSDFHMNDCV-MBSDFSHPSA-N 2 0 393.531 3.231 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273116 1430441160 /nfs/dbraw/zinc/44/11/60/1430441160.db2.gz BBXPEYAVORSISE-UGKGYDQZSA-N 2 0 382.504 3.265 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273538 1430441197 /nfs/dbraw/zinc/44/11/97/1430441197.db2.gz FABYBWMPPPVITK-XXBNENTESA-N 3 0 397.563 3.044 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)Cc1ccccc1 ZINC000182330925 1430449760 /nfs/dbraw/zinc/44/97/60/1430449760.db2.gz ZYMUIODBPBGPLV-FSSWDIPSSA-N 2 0 386.584 3.065 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnn1-c1ccccc1C ZINC000182391288 1430458175 /nfs/dbraw/zinc/45/81/75/1430458175.db2.gz RRVCNMXKIJKLDJ-IBGZPJMESA-N 2 0 398.555 3.061 20 0 GGADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182401660 1430460868 /nfs/dbraw/zinc/46/08/68/1430460868.db2.gz LVFZBIBWIFVWFQ-ZGXWSNOMSA-N 2 0 378.605 3.307 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182448736 1430469482 /nfs/dbraw/zinc/46/94/82/1430469482.db2.gz NZUMESYTYITNCV-UIFIKXQLSA-N 2 0 378.582 3.364 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000182528539 1430483744 /nfs/dbraw/zinc/48/37/44/1430483744.db2.gz BJRPSJNXXCDJBL-FKBYEOEOSA-N 2 0 384.568 3.258 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000182537611 1430486076 /nfs/dbraw/zinc/48/60/76/1430486076.db2.gz TZMMTPJVQLDYJM-HSALFYBXSA-N 2 0 396.620 3.026 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)cc1C[NH+]1CCCCC1 ZINC000182568434 1430494214 /nfs/dbraw/zinc/49/42/14/1430494214.db2.gz CQVZJFASTBIRQA-IBGZPJMESA-N 2 0 389.584 3.179 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C[NH+]1CCCCC1 ZINC000182650077 1430509978 /nfs/dbraw/zinc/50/99/78/1430509978.db2.gz JNRKTANBZKBCGV-AWEZNQCLSA-N 2 0 387.446 3.010 20 0 GGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000182677394 1430515533 /nfs/dbraw/zinc/51/55/33/1430515533.db2.gz GBGGEFGSGZYPAT-GOSISDBHSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182690217 1430518033 /nfs/dbraw/zinc/51/80/33/1430518033.db2.gz FKOJFQJVKCJZTA-ZWKOTPCHSA-N 2 0 376.589 3.346 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182690239 1430518094 /nfs/dbraw/zinc/51/80/94/1430518094.db2.gz FKOJFQJVKCJZTA-QZTJIDSGSA-N 2 0 376.589 3.346 20 0 GGADRP C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182693057 1430518878 /nfs/dbraw/zinc/51/88/78/1430518878.db2.gz LEKDRTNFZUDVHM-GOSISDBHSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182693042 1430519114 /nfs/dbraw/zinc/51/91/14/1430519114.db2.gz LEKDRTNFZUDVHM-SFHVURJKSA-N 2 0 378.536 3.163 20 0 GGADRP C[C@H](CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000182694265 1430519570 /nfs/dbraw/zinc/51/95/70/1430519570.db2.gz BSLATBVMHZURBK-NHCUHLMSSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182756867 1430534494 /nfs/dbraw/zinc/53/44/94/1430534494.db2.gz LVEAYGOMJKFIDV-XUVXKRRUSA-N 2 0 378.605 3.307 20 0 GGADRP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182777833 1430538263 /nfs/dbraw/zinc/53/82/63/1430538263.db2.gz WCTDINLBYCMRQT-UYAOXDASSA-N 2 0 399.583 3.250 20 0 GGADRP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182777812 1430538276 /nfs/dbraw/zinc/53/82/76/1430538276.db2.gz WCTDINLBYCMRQT-AZUAARDMSA-N 2 0 399.583 3.250 20 0 GGADRP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856876 1430554784 /nfs/dbraw/zinc/55/47/84/1430554784.db2.gz TVPOXAKYTNPZJL-RBUKOAKNSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182862631 1430555937 /nfs/dbraw/zinc/55/59/37/1430555937.db2.gz GVTVUHWCONFDNA-QKNQBKEWSA-N 2 0 376.589 3.299 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865999 1430556914 /nfs/dbraw/zinc/55/69/14/1430556914.db2.gz SVFAHKCXOPJFRL-OALUTQOASA-N 2 0 390.572 3.314 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914005 1430569894 /nfs/dbraw/zinc/56/98/94/1430569894.db2.gz TUBUGNKQHRJHOS-QZTJIDSGSA-N 2 0 392.613 3.474 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182922123 1430572048 /nfs/dbraw/zinc/57/20/48/1430572048.db2.gz KTKPZVCKMWNMLB-UHFFFAOYSA-N 2 0 389.559 3.463 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000182951896 1430579470 /nfs/dbraw/zinc/57/94/70/1430579470.db2.gz DYGBNWKCQIETNU-FQEVSTJZSA-N 2 0 387.568 3.455 20 0 GGADRP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967378 1430582362 /nfs/dbraw/zinc/58/23/62/1430582362.db2.gz GYKRXHSDTULTOP-KRWDZBQOSA-N 2 0 385.512 3.017 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000182979533 1430584690 /nfs/dbraw/zinc/58/46/90/1430584690.db2.gz MTTWTGFOUVSZSY-UHFFFAOYSA-N 2 0 399.579 3.002 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)s1 ZINC000182988243 1430586148 /nfs/dbraw/zinc/58/61/48/1430586148.db2.gz MIHAZTOCRMTXQB-UHFFFAOYSA-N 2 0 380.554 3.168 20 0 GGADRP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183132509 1430624089 /nfs/dbraw/zinc/62/40/89/1430624089.db2.gz LWBQWVVOSHSCHH-XPWALMASSA-N 2 0 377.532 3.437 20 0 GGADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183145179 1430628291 /nfs/dbraw/zinc/62/82/91/1430628291.db2.gz BEJUDJGXKRTVJJ-TZRRMPRUSA-N 2 0 391.559 3.479 20 0 GGADRP COC1CCC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CC1 ZINC000183148404 1430629519 /nfs/dbraw/zinc/62/95/19/1430629519.db2.gz YEVCDFHNUXYZBL-UHFFFAOYSA-N 2 0 376.541 3.223 20 0 GGADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000183191362 1430643752 /nfs/dbraw/zinc/64/37/52/1430643752.db2.gz NTQOREFCAJXEKV-JFIYKMOQSA-N 2 0 379.570 3.362 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000183224285 1430652130 /nfs/dbraw/zinc/65/21/30/1430652130.db2.gz MPCRDZLYZVQIAG-ZDFPQIBNSA-N 2 0 384.568 3.165 20 0 GGADRP COC(=O)C1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCCC1 ZINC000183235242 1430655344 /nfs/dbraw/zinc/65/53/44/1430655344.db2.gz LNECWJQHEPYAIQ-UHFFFAOYSA-N 2 0 387.568 3.430 20 0 GGADRP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000183250780 1430660043 /nfs/dbraw/zinc/66/00/43/1430660043.db2.gz CWTRAYDXRKFVSF-QFIPXVFZSA-N 2 0 381.568 3.059 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1C[NH+]1CCCCC1 ZINC000183315498 1430676672 /nfs/dbraw/zinc/67/66/72/1430676672.db2.gz LXHDBOYWPBYSIU-QGZVFWFLSA-N 2 0 394.581 3.157 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000183495227 1430727534 /nfs/dbraw/zinc/72/75/34/1430727534.db2.gz SGNIKJUXDPLQFU-ZDUSSCGKSA-N 2 0 395.569 3.190 20 0 GGADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183609227 1430753787 /nfs/dbraw/zinc/75/37/87/1430753787.db2.gz MEBVATDTGHGVPA-QGZVFWFLSA-N 2 0 385.577 3.421 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000183737594 1430784260 /nfs/dbraw/zinc/78/42/60/1430784260.db2.gz LULXLJZWVNOTHA-HXUWFJFHSA-N 2 0 398.555 3.061 20 0 GGADRP Cc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000183739866 1430784549 /nfs/dbraw/zinc/78/45/49/1430784549.db2.gz ZTPXUWDUYLPWLP-SFHVURJKSA-N 2 0 376.545 3.321 20 0 GGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183739676 1430784723 /nfs/dbraw/zinc/78/47/23/1430784723.db2.gz USXXLRYCTLQWJT-XMMPIXPASA-N 2 0 394.563 3.270 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183775319 1430791309 /nfs/dbraw/zinc/79/13/09/1430791309.db2.gz LNUNWKKCCHNMLR-MJGOQNOKSA-N 2 0 383.577 3.255 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183819856 1430800887 /nfs/dbraw/zinc/80/08/87/1430800887.db2.gz XOAMDMSSESIUKL-BJLQDIEVSA-N 2 0 395.588 3.255 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC000183951856 1430817555 /nfs/dbraw/zinc/81/75/55/1430817555.db2.gz CLIUSPKXASBHML-MRXNPFEDSA-N 2 0 377.529 3.133 20 0 GGADRP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184605810 1430917309 /nfs/dbraw/zinc/91/73/09/1430917309.db2.gz OELCMKDFIQPGFA-JOCHJYFZSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000184717560 1430951569 /nfs/dbraw/zinc/95/15/69/1430951569.db2.gz GGJRHNFYZYYRNM-ROUUACIJSA-N 2 0 378.586 3.449 20 0 GGADRP COc1cc(Cl)cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1O ZINC000184744223 1430963328 /nfs/dbraw/zinc/96/33/28/1430963328.db2.gz MOPAQEFVUZJPEP-UHFFFAOYSA-N 2 0 382.932 3.379 20 0 GGADRP C[C@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000184807589 1430984481 /nfs/dbraw/zinc/98/44/81/1430984481.db2.gz PXNLCCZMFSDQEZ-HXUWFJFHSA-N 2 0 386.584 3.257 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[NH+]3CCCCCC3)c2)CC1 ZINC000184911601 1431019396 /nfs/dbraw/zinc/01/93/96/1431019396.db2.gz WHMRTYLUAYVERL-UHFFFAOYSA-N 2 0 387.572 3.216 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)c2)CC1 ZINC000184918331 1431020884 /nfs/dbraw/zinc/02/08/84/1431020884.db2.gz WZCXAPGLBXURCU-UHFFFAOYSA-N 2 0 387.572 3.215 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)c2)CC1 ZINC000184923681 1431022364 /nfs/dbraw/zinc/02/23/64/1431022364.db2.gz WYYDFELMTDWOAQ-UHFFFAOYSA-N 2 0 387.572 3.213 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c2)CC1 ZINC000184928364 1431023581 /nfs/dbraw/zinc/02/35/81/1431023581.db2.gz IQSYMSSSMMSTNR-UHFFFAOYSA-N 2 0 395.551 3.212 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000185026477 1431044497 /nfs/dbraw/zinc/04/44/97/1431044497.db2.gz XXDGQIACONIPNJ-IEBWSBKVSA-N 2 0 376.545 3.289 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063218 1431052278 /nfs/dbraw/zinc/05/22/78/1431052278.db2.gz XYVIVMCENYJNBX-SFHVURJKSA-N 2 0 378.586 3.257 20 0 GGADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170522 1431076928 /nfs/dbraw/zinc/07/69/28/1431076928.db2.gz WOVJWLURSMQFNW-OAQYLSRUSA-N 2 0 386.584 3.272 20 0 GGADRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000185322090 1431113349 /nfs/dbraw/zinc/11/33/49/1431113349.db2.gz XTJLOLGGTHXZRS-GOSISDBHSA-N 2 0 389.883 3.495 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000185322130 1431113792 /nfs/dbraw/zinc/11/37/92/1431113792.db2.gz VKMHNCGGWSUGEH-UWJYYQICSA-N 2 0 386.511 3.369 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185395289 1431135511 /nfs/dbraw/zinc/13/55/11/1431135511.db2.gz BDVFQYMEFWIQDV-KRWDZBQOSA-N 2 0 398.473 3.015 20 0 GGADRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccnc1 ZINC000185400408 1431136727 /nfs/dbraw/zinc/13/67/27/1431136727.db2.gz MJHYGCQAOLHKMB-FCHUYYIVSA-N 2 0 380.536 3.410 20 0 GGADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC000185472651 1431152783 /nfs/dbraw/zinc/15/27/83/1431152783.db2.gz GQUVNGBWBSZQMI-UHFFFAOYSA-N 2 0 390.547 3.211 20 0 GGADRP CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185586107 1431176977 /nfs/dbraw/zinc/17/69/77/1431176977.db2.gz MHPPHMHSBNPMOI-UHFFFAOYSA-N 2 0 396.620 3.220 20 0 GGADRP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690987 1431207128 /nfs/dbraw/zinc/20/71/28/1431207128.db2.gz SLXIXBUFNKTDGH-QZTJIDSGSA-N 2 0 383.536 3.305 20 0 GGADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717566 1431214447 /nfs/dbraw/zinc/21/44/47/1431214447.db2.gz LNUBQHIOKIPYPD-QWFCFKBJSA-N 2 0 376.541 3.068 20 0 GGADRP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717553 1431214511 /nfs/dbraw/zinc/21/45/11/1431214511.db2.gz LNUBQHIOKIPYPD-NSHGMRRFSA-N 2 0 376.541 3.068 20 0 GGADRP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717584 1431214661 /nfs/dbraw/zinc/21/46/61/1431214661.db2.gz LNUBQHIOKIPYPD-GGPKGHCWSA-N 2 0 376.541 3.068 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185822489 1431244191 /nfs/dbraw/zinc/24/41/91/1431244191.db2.gz IMVCGLQMLRGSGG-GOSISDBHSA-N 2 0 387.572 3.028 20 0 GGADRP Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000185849648 1431251475 /nfs/dbraw/zinc/25/14/75/1431251475.db2.gz PXOGBJMNTWUSFO-UHFFFAOYSA-N 2 0 382.508 3.199 20 0 GGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186108525 1431332065 /nfs/dbraw/zinc/33/20/65/1431332065.db2.gz JPNAFTKIUYNLGJ-IRLDBZIGSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186273753 1431368441 /nfs/dbraw/zinc/36/84/41/1431368441.db2.gz CZTFYGXGHOSMJR-QFIPXVFZSA-N 2 0 386.584 3.270 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186286564 1431371966 /nfs/dbraw/zinc/37/19/66/1431371966.db2.gz SDBJXWDZNVATRO-GOSISDBHSA-N 2 0 383.458 3.474 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186304643 1431377265 /nfs/dbraw/zinc/37/72/65/1431377265.db2.gz YPZJBOWZKLFBGT-IOMROCGXSA-N 2 0 376.541 3.252 20 0 GGADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186324978 1431383004 /nfs/dbraw/zinc/38/30/04/1431383004.db2.gz GGNHHXIDQYOPMR-FCHUYYIVSA-N 2 0 387.568 3.082 20 0 GGADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000186378438 1431395973 /nfs/dbraw/zinc/39/59/73/1431395973.db2.gz YPEIMVSPXDNZPX-COPRSSIGSA-N 2 0 396.616 3.370 20 0 GGADRP CN(c1ccccc1C[N@@H+]1CCSC2(CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000186501645 1431438323 /nfs/dbraw/zinc/43/83/23/1431438323.db2.gz JELWCDYLTUVPRG-UHFFFAOYSA-N 2 0 389.609 3.315 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000186565790 1431455668 /nfs/dbraw/zinc/45/56/68/1431455668.db2.gz ITUPNDJSCLHMPC-QGZVFWFLSA-N 2 0 396.982 3.059 20 0 GGADRP Fc1ccccc1COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000186680656 1431490531 /nfs/dbraw/zinc/49/05/31/1431490531.db2.gz IHCAMQQLKJGMML-UHFFFAOYSA-N 2 0 399.510 3.344 20 0 GGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000186751730 1431507920 /nfs/dbraw/zinc/50/79/20/1431507920.db2.gz VIHICFDCEBKXSF-DLBZAZTESA-N 2 0 377.529 3.145 20 0 GGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000186751713 1431508112 /nfs/dbraw/zinc/50/81/12/1431508112.db2.gz VIHICFDCEBKXSF-IRXDYDNUSA-N 2 0 377.529 3.145 20 0 GGADRP COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000186774696 1431513478 /nfs/dbraw/zinc/51/34/78/1431513478.db2.gz KYOFFPPRZFELHB-IAGOWNOFSA-N 2 0 377.529 3.145 20 0 GGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000186847950 1431538530 /nfs/dbraw/zinc/53/85/30/1431538530.db2.gz NSYXYRDPPFIQOU-UHFFFAOYSA-N 2 0 392.975 3.430 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003764 1431587040 /nfs/dbraw/zinc/58/70/40/1431587040.db2.gz PRQDINZTTJBEIR-CABCVRRESA-N 2 0 384.362 3.140 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003781 1431587141 /nfs/dbraw/zinc/58/71/41/1431587141.db2.gz PRQDINZTTJBEIR-LSDHHAIUSA-N 2 0 384.362 3.140 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CCS(=O)(=O)CC1 ZINC000187005664 1431587661 /nfs/dbraw/zinc/58/76/61/1431587661.db2.gz NQJMXZRYXZIVTN-ROUUACIJSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000187017148 1431591476 /nfs/dbraw/zinc/59/14/76/1431591476.db2.gz XZACIBBJGLGZFD-OTWHNJEPSA-N 2 0 392.609 3.467 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187121888 1431621862 /nfs/dbraw/zinc/62/18/62/1431621862.db2.gz SWXKIZKGLBTLSC-UHFFFAOYSA-N 2 0 382.552 3.265 20 0 GGADRP Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000187164515 1431635668 /nfs/dbraw/zinc/63/56/68/1431635668.db2.gz COVBMFSLZXWQIJ-OAHLLOKOSA-N 2 0 398.389 3.387 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCS(=O)(=O)CC1 ZINC000187166905 1431636129 /nfs/dbraw/zinc/63/61/29/1431636129.db2.gz RGBWVGPHDFTDRD-SFHVURJKSA-N 2 0 378.582 3.221 20 0 GGADRP CN1c2ccc(C[NH2+]Cc3ccc(OCCC[NH+](C)C)cc3)cc2CCC1=O ZINC000187197919 1431644528 /nfs/dbraw/zinc/64/45/28/1431644528.db2.gz QAVJJVCBEZFEQU-UHFFFAOYSA-N 2 0 381.520 3.216 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C1CCS(=O)(=O)CC1 ZINC000187246029 1431664732 /nfs/dbraw/zinc/66/47/32/1431664732.db2.gz SRNYFSGASMKMOA-QGZVFWFLSA-N 2 0 390.549 3.215 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000187355694 1431707123 /nfs/dbraw/zinc/70/71/23/1431707123.db2.gz DLJUUKRZLHKFIN-QBIMZIAESA-N 2 0 398.473 3.233 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187449398 1431733688 /nfs/dbraw/zinc/73/36/88/1431733688.db2.gz YVJGDXAORVKWDD-MSOLQXFVSA-N 2 0 398.473 3.188 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187449251 1431733794 /nfs/dbraw/zinc/73/37/94/1431733794.db2.gz DJQLJMZZRSXAIY-IRXDYDNUSA-N 2 0 386.462 3.044 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187449416 1431733891 /nfs/dbraw/zinc/73/38/91/1431733891.db2.gz YVJGDXAORVKWDD-QZTJIDSGSA-N 2 0 398.473 3.188 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCCS2 ZINC000187746595 1431807274 /nfs/dbraw/zinc/80/72/74/1431807274.db2.gz LMEXPKQLGVPWTI-WOJBJXKFSA-N 2 0 377.598 3.484 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187956744 1431831054 /nfs/dbraw/zinc/83/10/54/1431831054.db2.gz KBZOXEIUEVAGOJ-XLIONFOSSA-N 2 0 377.598 3.485 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCS2 ZINC000187962253 1431831656 /nfs/dbraw/zinc/83/16/56/1431831656.db2.gz ZTDGKIMZNJIHNQ-HXUWFJFHSA-N 2 0 377.598 3.485 20 0 GGADRP CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Cl ZINC000188039292 1431838919 /nfs/dbraw/zinc/83/89/19/1431838919.db2.gz QUCXZWAHZRCEEM-UHFFFAOYSA-N 2 0 381.948 3.017 20 0 GGADRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1Cl ZINC000188074146 1431842776 /nfs/dbraw/zinc/84/27/76/1431842776.db2.gz AVRMCZWQZUIHEI-UHFFFAOYSA-N 2 0 389.883 3.495 20 0 GGADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000188206384 1431860570 /nfs/dbraw/zinc/86/05/70/1431860570.db2.gz KAHMORCAFHYKMN-GOSISDBHSA-N 2 0 383.511 3.372 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2)CC1 ZINC000188859780 1431999554 /nfs/dbraw/zinc/99/95/54/1431999554.db2.gz BMRZRPCCWVJNPS-FQEVSTJZSA-N 2 0 399.583 3.168 20 0 GGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000188985461 1432022390 /nfs/dbraw/zinc/02/23/90/1432022390.db2.gz LWASNBJTSLXKEC-NRFANRHFSA-N 2 0 383.580 3.405 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189029654 1432030185 /nfs/dbraw/zinc/03/01/85/1432030185.db2.gz VXOPJSHLHPOCOY-UHFFFAOYSA-N 2 0 383.536 3.304 20 0 GGADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000189053742 1432035436 /nfs/dbraw/zinc/03/54/36/1432035436.db2.gz NLMLCZSPDFBDSH-UHFFFAOYSA-N 2 0 381.520 3.058 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189205835 1432062895 /nfs/dbraw/zinc/06/28/95/1432062895.db2.gz KQHTYEATRUZCLR-XXBNENTESA-N 2 0 399.579 3.047 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189205859 1432063162 /nfs/dbraw/zinc/06/31/62/1432063162.db2.gz KQHTYEATRUZCLR-WMZHIEFXSA-N 2 0 399.579 3.047 20 0 GGADRP Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189262993 1432073892 /nfs/dbraw/zinc/07/38/92/1432073892.db2.gz JPBUYXKKMOXHKM-UHFFFAOYSA-N 2 0 375.532 3.338 20 0 GGADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000189753413 1432224217 /nfs/dbraw/zinc/22/42/17/1432224217.db2.gz OEYWASBYEQWXCZ-UHFFFAOYSA-N 2 0 378.586 3.086 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000277 1432302602 /nfs/dbraw/zinc/30/26/02/1432302602.db2.gz ZVXWMIKCGNVJBV-VQIMIIECSA-N 2 0 381.948 3.395 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000190120237 1432323021 /nfs/dbraw/zinc/32/30/21/1432323021.db2.gz DAKZFRBRFAAFPH-UHFFFAOYSA-N 2 0 386.584 3.477 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000190834481 1432500045 /nfs/dbraw/zinc/50/00/45/1432500045.db2.gz OYUDMYXKDKKMBX-UHFFFAOYSA-N 2 0 378.442 3.450 20 0 GGADRP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000190833881 1432500130 /nfs/dbraw/zinc/50/01/30/1432500130.db2.gz PNLAPUMRBSSQKN-RTBURBONSA-N 2 0 382.552 3.437 20 0 GGADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892207 1432521279 /nfs/dbraw/zinc/52/12/79/1432521279.db2.gz MJLODTVIBUGZMX-QRMBVLBGSA-N 2 0 380.573 3.057 20 0 GGADRP CCS(=O)(=O)CCCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000191100027 1432568042 /nfs/dbraw/zinc/56/80/42/1432568042.db2.gz SNXHJMNRRCIZHG-OALUTQOASA-N 2 0 380.598 3.338 20 0 GGADRP CCS(=O)(=O)CCCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000191100043 1432568092 /nfs/dbraw/zinc/56/80/92/1432568092.db2.gz SNXHJMNRRCIZHG-RTBURBONSA-N 2 0 380.598 3.338 20 0 GGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000191288255 1432621631 /nfs/dbraw/zinc/62/16/31/1432621631.db2.gz KTAYKGXLFXPWHJ-UHFFFAOYSA-N 2 0 382.552 3.173 20 0 GGADRP COCCN(C)c1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000191331064 1432633966 /nfs/dbraw/zinc/63/39/66/1432633966.db2.gz XFOCNRAEDCIIDR-WOJBJXKFSA-N 2 0 396.579 3.410 20 0 GGADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnn1C(C)C ZINC000191368706 1432643049 /nfs/dbraw/zinc/64/30/49/1432643049.db2.gz AJXWNVPRRUPWJA-SFHVURJKSA-N 2 0 397.567 3.449 20 0 GGADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cnn1C(C)(C)C ZINC000191369683 1432643105 /nfs/dbraw/zinc/64/31/05/1432643105.db2.gz ZQCMCLLHHIOATD-INIZCTEOSA-N 2 0 385.556 3.089 20 0 GGADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cnn1C(C)(C)C ZINC000191369669 1432643281 /nfs/dbraw/zinc/64/32/81/1432643281.db2.gz ZQCMCLLHHIOATD-MRXNPFEDSA-N 2 0 385.556 3.089 20 0 GGADRP COc1ccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000191391535 1432649867 /nfs/dbraw/zinc/64/98/67/1432649867.db2.gz IDWRGRURFWUEKW-HXUWFJFHSA-N 2 0 375.557 3.257 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000191395862 1432651681 /nfs/dbraw/zinc/65/16/81/1432651681.db2.gz WHWCZSWDTJCZTB-UHFFFAOYSA-N 2 0 393.019 3.264 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCS2 ZINC000191496627 1432672367 /nfs/dbraw/zinc/67/23/67/1432672367.db2.gz FUJXDFXRYSAMCF-LJQANCHMSA-N 2 0 384.549 3.169 20 0 GGADRP O=C(C[NH+]1CCC(c2ccncc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191633949 1432696991 /nfs/dbraw/zinc/69/69/91/1432696991.db2.gz OBYVTLNQFITMSX-UHFFFAOYSA-N 2 0 392.547 3.173 20 0 GGADRP CN(c1ccccc1CN1CCSC[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000191745251 1432716512 /nfs/dbraw/zinc/71/65/12/1432716512.db2.gz LSKHHVUKRHGVKV-QFIPXVFZSA-N 2 0 399.608 3.241 20 0 GGADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000191975966 1432773060 /nfs/dbraw/zinc/77/30/60/1432773060.db2.gz WFCQHUSHGLJDDU-SFTDATJTSA-N 2 0 381.568 3.171 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192155039 1432808937 /nfs/dbraw/zinc/80/89/37/1432808937.db2.gz BQLILKXXYYRMJP-AEFFLSMTSA-N 2 0 389.515 3.104 20 0 GGADRP COC(=O)C1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000192438583 1432844814 /nfs/dbraw/zinc/84/48/14/1432844814.db2.gz VVHKODRWINZSCY-UHFFFAOYSA-N 2 0 387.568 3.219 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192441940 1432845203 /nfs/dbraw/zinc/84/52/03/1432845203.db2.gz GRVSWNVGRUNVBG-MUYFXNHWSA-N 2 0 391.531 3.350 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700644 1432876825 /nfs/dbraw/zinc/87/68/25/1432876825.db2.gz BEAVIDOKBMHWNT-IBGZPJMESA-N 2 0 387.572 3.133 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700993 1432877091 /nfs/dbraw/zinc/87/70/91/1432877091.db2.gz XTGKGNDXIRTVEN-UHFFFAOYSA-N 2 0 387.572 3.134 20 0 GGADRP COc1cccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]2CCCO2)c1 ZINC000192725575 1432880405 /nfs/dbraw/zinc/88/04/05/1432880405.db2.gz JJWJVILFSRHVBS-QHCPKHFHSA-N 2 0 389.584 3.092 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000192729463 1432881052 /nfs/dbraw/zinc/88/10/52/1432881052.db2.gz VVWRZXSUZZMZFX-UHFFFAOYSA-N 2 0 383.584 3.357 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000192759435 1432885836 /nfs/dbraw/zinc/88/58/36/1432885836.db2.gz OFDCTMKPMUBIKK-QFIPXVFZSA-N 3 0 378.649 3.379 20 0 GGADRP CC(C)[NH+]1CCN(CCCN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000192760251 1432886148 /nfs/dbraw/zinc/88/61/48/1432886148.db2.gz YGUUTWRBJFBEJT-RPBOFIJWSA-N 2 0 398.639 3.389 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773244 1432888498 /nfs/dbraw/zinc/88/84/98/1432888498.db2.gz LSFVLWSROATTSI-UXHICEINSA-N 2 0 396.620 3.028 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775131 1432888724 /nfs/dbraw/zinc/88/87/24/1432888724.db2.gz DVUUXOWOZICFRI-VXKWHMMOSA-N 2 0 377.548 3.130 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000192783576 1432890320 /nfs/dbraw/zinc/89/03/20/1432890320.db2.gz CQMZMTUENNUKNM-UHFFFAOYSA-N 3 0 387.616 3.036 20 0 GGADRP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192795914 1432892340 /nfs/dbraw/zinc/89/23/40/1432892340.db2.gz BFEQDSGPCNREDC-OAHLLOKOSA-N 2 0 389.510 3.129 20 0 GGADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)CCC2 ZINC000192823769 1432895215 /nfs/dbraw/zinc/89/52/15/1432895215.db2.gz CFVSOEDQZJDDQI-AEFFLSMTSA-N 2 0 391.556 3.005 20 0 GGADRP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929966 1432909660 /nfs/dbraw/zinc/90/96/60/1432909660.db2.gz IFDITCBEDLHOOS-WIYYLYMNSA-N 2 0 382.504 3.239 20 0 GGADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000192953943 1432912284 /nfs/dbraw/zinc/91/22/84/1432912284.db2.gz BUNOZCLCBDRUAM-QGZVFWFLSA-N 2 0 390.572 3.220 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1CCc2sccc2C1 ZINC000192959267 1432913387 /nfs/dbraw/zinc/91/33/87/1432913387.db2.gz QVZACBIFDAEVLT-LPHOPBHVSA-N 2 0 386.565 3.097 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1CCc2sccc2C1 ZINC000192959276 1432913420 /nfs/dbraw/zinc/91/34/20/1432913420.db2.gz QVZACBIFDAEVLT-APWZRJJASA-N 2 0 386.565 3.097 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000193006773 1432921251 /nfs/dbraw/zinc/92/12/51/1432921251.db2.gz GZUYXJGCHGYMKV-GOSISDBHSA-N 2 0 396.576 3.278 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000193054897 1432928876 /nfs/dbraw/zinc/92/88/76/1432928876.db2.gz YZYJXUWXOHQPIA-UHFFFAOYSA-N 2 0 387.572 3.181 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCO[C@@H]2CCCCO2)CC1 ZINC000193088029 1432934540 /nfs/dbraw/zinc/93/45/40/1432934540.db2.gz SZSWOWPLCRWAJR-DYESRHJHSA-N 2 0 379.520 3.161 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193384151 1432988631 /nfs/dbraw/zinc/98/86/31/1432988631.db2.gz DJROCQZKMASHLT-UHFFFAOYSA-N 2 0 384.568 3.346 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193543580 1433017429 /nfs/dbraw/zinc/01/74/29/1433017429.db2.gz NCNWQQKBVMWTAS-UHFFFAOYSA-N 2 0 388.556 3.403 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000193693574 1433041905 /nfs/dbraw/zinc/04/19/05/1433041905.db2.gz BMUJHLQTWGBZKT-QFIPXVFZSA-N 2 0 386.584 3.113 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000193692992 1433042048 /nfs/dbraw/zinc/04/20/48/1433042048.db2.gz SFUOISMIACQHJZ-IBGZPJMESA-N 2 0 378.586 3.305 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193719869 1433046885 /nfs/dbraw/zinc/04/68/85/1433046885.db2.gz PCMNNCSOIAXGII-VQTJNVASSA-N 2 0 386.584 3.113 20 0 GGADRP C[N@H+](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000193857170 1433074066 /nfs/dbraw/zinc/07/40/66/1433074066.db2.gz ACLPOMGENWGIKU-UHFFFAOYSA-N 2 0 384.524 3.017 20 0 GGADRP C[N@H+](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000193860587 1433074732 /nfs/dbraw/zinc/07/47/32/1433074732.db2.gz CTGAKRPKYROCPA-UHFFFAOYSA-N 2 0 394.563 3.125 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000193929704 1433086750 /nfs/dbraw/zinc/08/67/50/1433086750.db2.gz ZVJWHHCVGOHNSD-DENIHFKCSA-N 2 0 398.526 3.250 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000193958850 1433092658 /nfs/dbraw/zinc/09/26/58/1433092658.db2.gz FQGHVZHYYVYGKS-XPWALMASSA-N 2 0 383.580 3.444 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194020294 1433101826 /nfs/dbraw/zinc/10/18/26/1433101826.db2.gz KYOVNCGTXHYCII-QFIPXVFZSA-N 2 0 386.584 3.320 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194020305 1433101954 /nfs/dbraw/zinc/10/19/54/1433101954.db2.gz KYOVNCGTXHYCII-JOCHJYFZSA-N 2 0 386.584 3.320 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194020636 1433102220 /nfs/dbraw/zinc/10/22/20/1433102220.db2.gz LDBFMVQHRPPRIH-IRLDBZIGSA-N 2 0 386.584 3.462 20 0 GGADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000194300419 1433157890 /nfs/dbraw/zinc/15/78/90/1433157890.db2.gz XTZYYOYXBKROAK-ILWGZMRPSA-N 2 0 398.595 3.461 20 0 GGADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000194300447 1433158074 /nfs/dbraw/zinc/15/80/74/1433158074.db2.gz XTZYYOYXBKROAK-BVSLBCMMSA-N 2 0 398.595 3.461 20 0 GGADRP COc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1C ZINC000194321420 1433160845 /nfs/dbraw/zinc/16/08/45/1433160845.db2.gz VDXCOTVJZIWGQY-UHFFFAOYSA-N 2 0 381.520 3.119 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000194402439 1433172521 /nfs/dbraw/zinc/17/25/21/1433172521.db2.gz FADAQOYFEVXQIJ-INIZCTEOSA-N 2 0 382.936 3.228 20 0 GGADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194609147 1433205002 /nfs/dbraw/zinc/20/50/02/1433205002.db2.gz GHCAOQMZXMDVDU-SFHVURJKSA-N 2 0 395.469 3.270 20 0 GGADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194609158 1433205044 /nfs/dbraw/zinc/20/50/44/1433205044.db2.gz GHCAOQMZXMDVDU-GOSISDBHSA-N 2 0 395.469 3.270 20 0 GGADRP C[NH+](C)CCn1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000194677554 1433214381 /nfs/dbraw/zinc/21/43/81/1433214381.db2.gz MPOPQNMIHGWNAH-UHFFFAOYSA-N 2 0 391.519 3.329 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194726670 1433220651 /nfs/dbraw/zinc/22/06/51/1433220651.db2.gz CEDBXOBYNJGQTA-HXUWFJFHSA-N 2 0 397.485 3.430 20 0 GGADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194816487 1433239200 /nfs/dbraw/zinc/23/92/00/1433239200.db2.gz PYNBGGCCHDVQAR-UHFFFAOYSA-N 2 0 388.600 3.455 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000194925832 1433265789 /nfs/dbraw/zinc/26/57/89/1433265789.db2.gz PZQAFBRNOATMAH-SFHVURJKSA-N 2 0 375.532 3.417 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000194967637 1433274235 /nfs/dbraw/zinc/27/42/35/1433274235.db2.gz RWNGIAUBMOLKOF-HXUWFJFHSA-N 2 0 386.584 3.067 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000194982226 1433276154 /nfs/dbraw/zinc/27/61/54/1433276154.db2.gz OCRGBTHLSGILCQ-SFHVURJKSA-N 2 0 378.586 3.135 20 0 GGADRP C[N@H+](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000195614405 1433341903 /nfs/dbraw/zinc/34/19/03/1433341903.db2.gz JADDRLRMJYSOFS-JOCHJYFZSA-N 2 0 380.536 3.255 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000236718411 1433377092 /nfs/dbraw/zinc/37/70/92/1433377092.db2.gz BBUXGIZCTNGZPM-UHFFFAOYSA-N 2 0 377.532 3.031 20 0 GGADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000236774831 1433378329 /nfs/dbraw/zinc/37/83/29/1433378329.db2.gz FDHCIHYAXUKFRJ-HSZRJFAPSA-N 2 0 394.563 3.143 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236823196 1433380147 /nfs/dbraw/zinc/38/01/47/1433380147.db2.gz ABIGKGYUEKFVFF-UTKZUKDTSA-N 2 0 375.557 3.220 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000236877743 1433381699 /nfs/dbraw/zinc/38/16/99/1433381699.db2.gz UNTPCDLDKGABFU-FBBABVLZSA-N 2 0 375.557 3.220 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)C[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000236877483 1433381724 /nfs/dbraw/zinc/38/17/24/1433381724.db2.gz HDIFHKUJYAWUEL-IBGZPJMESA-N 2 0 385.508 3.444 20 0 GGADRP CC[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236951337 1433383842 /nfs/dbraw/zinc/38/38/42/1433383842.db2.gz MXBWTFYDLMTEBM-HSZRJFAPSA-N 2 0 391.559 3.261 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000236954203 1433383988 /nfs/dbraw/zinc/38/39/88/1433383988.db2.gz PNMBIDKELKDLLJ-MRXNPFEDSA-N 2 0 376.545 3.312 20 0 GGADRP CC[NH2+]Cc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237031650 1433386625 /nfs/dbraw/zinc/38/66/25/1433386625.db2.gz DLWASCUORCXEAV-UHFFFAOYSA-N 2 0 380.536 3.337 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2F)CC1 ZINC000237087559 1433388477 /nfs/dbraw/zinc/38/84/77/1433388477.db2.gz JZURHSCEUGMRGY-UHFFFAOYSA-N 2 0 376.520 3.074 20 0 GGADRP Cc1cn2c(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)c(C)nc2s1 ZINC000237089626 1433388684 /nfs/dbraw/zinc/38/86/84/1433388684.db2.gz XNWJQGJNFKURDD-UHFFFAOYSA-N 2 0 383.565 3.050 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000237095320 1433388767 /nfs/dbraw/zinc/38/87/67/1433388767.db2.gz QGVULWXEQDBIBX-JOCHJYFZSA-N 2 0 380.536 3.493 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000237096877 1433388896 /nfs/dbraw/zinc/38/88/96/1433388896.db2.gz REXRGHWHJUUMRX-NYVOZVTQSA-N 2 0 384.568 3.324 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000237207535 1433392691 /nfs/dbraw/zinc/39/26/91/1433392691.db2.gz QBMSDEFACKJYRZ-UHFFFAOYSA-N 2 0 375.463 3.484 20 0 GGADRP COc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000237211375 1433392819 /nfs/dbraw/zinc/39/28/19/1433392819.db2.gz QGPCSARKXSDSFK-HXUWFJFHSA-N 2 0 397.563 3.247 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237232589 1433393276 /nfs/dbraw/zinc/39/32/76/1433393276.db2.gz UZWVDVFENKPMIP-QFIPXVFZSA-N 2 0 391.559 3.288 20 0 GGADRP C[NH2+]CCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000237255679 1433394535 /nfs/dbraw/zinc/39/45/35/1433394535.db2.gz MSKHLXZOVAHUOR-UHFFFAOYSA-N 2 0 380.536 3.255 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000237260261 1433394730 /nfs/dbraw/zinc/39/47/30/1433394730.db2.gz YSKNDPBGVZQWMS-RTWAWAEBSA-N 2 0 381.520 3.081 20 0 GGADRP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237308813 1433396503 /nfs/dbraw/zinc/39/65/03/1433396503.db2.gz NWYDKKKKSOTOGQ-IBGZPJMESA-N 2 0 375.582 3.114 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237364291 1433399268 /nfs/dbraw/zinc/39/92/68/1433399268.db2.gz QDDLQFLSMKAFQJ-PKOBYXMFSA-N 2 0 375.582 3.242 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000237401433 1433400837 /nfs/dbraw/zinc/40/08/37/1433400837.db2.gz BBIFIRVNZZZXHD-UKAVVXHISA-N 2 0 379.589 3.022 20 0 GGADRP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC[NH2+]CC1 ZINC000237412269 1433401565 /nfs/dbraw/zinc/40/15/65/1433401565.db2.gz HDAGCQBPSFKLGQ-OALUTQOASA-N 2 0 387.568 3.028 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000237490669 1433405868 /nfs/dbraw/zinc/40/58/68/1433405868.db2.gz WIFKORJLFWQQCJ-KNQAVFIVSA-N 2 0 377.532 3.087 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237555103 1433409220 /nfs/dbraw/zinc/40/92/20/1433409220.db2.gz SDFRVLQHEFUSAX-QUCCMNQESA-N 2 0 386.584 3.429 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)C[C@@H](C)O1 ZINC000237577694 1433410649 /nfs/dbraw/zinc/41/06/49/1433410649.db2.gz ZLFPLHVIZLVZBE-QZTJIDSGSA-N 2 0 382.504 3.357 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237630736 1433413766 /nfs/dbraw/zinc/41/37/66/1433413766.db2.gz QZJRWWSFMINDJJ-KGVIQGDOSA-N 2 0 381.520 3.002 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000237672804 1433416261 /nfs/dbraw/zinc/41/62/61/1433416261.db2.gz VXZONTJXEDSORL-UHFFFAOYSA-N 2 0 393.535 3.276 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237684405 1433416951 /nfs/dbraw/zinc/41/69/51/1433416951.db2.gz WTJLWTQNIMMHAC-NRFANRHFSA-N 2 0 383.923 3.135 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237684021 1433417058 /nfs/dbraw/zinc/41/70/58/1433417058.db2.gz HJMZCYOBJDJMDZ-XGSMCBPESA-N 2 0 375.944 3.341 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)C1 ZINC000237740867 1433420174 /nfs/dbraw/zinc/42/01/74/1433420174.db2.gz QGOTULVECYVZOH-MBSDFSHPSA-N 2 0 377.532 3.249 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)C[C@H](C)O1 ZINC000237781191 1433423806 /nfs/dbraw/zinc/42/38/06/1433423806.db2.gz ZLFPLHVIZLVZBE-ROUUACIJSA-N 2 0 382.504 3.357 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@H](C)O1 ZINC000237781096 1433423809 /nfs/dbraw/zinc/42/38/09/1433423809.db2.gz KXUCSMVEUBQIFE-HDICACEKSA-N 2 0 391.519 3.371 20 0 GGADRP Cc1ccc(COc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000237816491 1433425607 /nfs/dbraw/zinc/42/56/07/1433425607.db2.gz BHCXSGIPVWYTCQ-JOCHJYFZSA-N 2 0 395.547 3.251 20 0 GGADRP [NH3+]C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC000237820267 1433425984 /nfs/dbraw/zinc/42/59/84/1433425984.db2.gz KYNCPKPMYPHZTA-QFBILLFUSA-N 2 0 389.902 3.475 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237878235 1433430659 /nfs/dbraw/zinc/43/06/59/1433430659.db2.gz VIHBRBHOTXCNFS-SFHVURJKSA-N 2 0 375.944 3.058 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000237897914 1433432953 /nfs/dbraw/zinc/43/29/53/1433432953.db2.gz MHKCIDQAALSOGZ-PRJVBOEPSA-N 2 0 398.551 3.360 20 0 GGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237900151 1433433066 /nfs/dbraw/zinc/43/30/66/1433433066.db2.gz XCJAJXNMJPHXMX-QFIPXVFZSA-N 2 0 377.532 3.089 20 0 GGADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000237903900 1433433353 /nfs/dbraw/zinc/43/33/53/1433433353.db2.gz KSZIAVOPGHHQCA-VCSGRIEYSA-N 2 0 382.552 3.078 20 0 GGADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000237961193 1433437173 /nfs/dbraw/zinc/43/71/73/1433437173.db2.gz GPEFSHWUDIYARB-UHFFFAOYSA-N 2 0 387.911 3.072 20 0 GGADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237985944 1433438327 /nfs/dbraw/zinc/43/83/27/1433438327.db2.gz NBISKXGUICJSID-GOSISDBHSA-N 2 0 377.410 3.168 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238007056 1433439094 /nfs/dbraw/zinc/43/90/94/1433439094.db2.gz SBIKIZPTGDXBNN-LJQANCHMSA-N 2 0 397.588 3.398 20 0 GGADRP [NH3+][C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000238008601 1433439258 /nfs/dbraw/zinc/43/92/58/1433439258.db2.gz OEKQPZIVZZAXLI-AZUAARDMSA-N 2 0 391.437 3.257 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238030613 1433440142 /nfs/dbraw/zinc/44/01/42/1433440142.db2.gz DDIYVYJABGRHQR-HSZRJFAPSA-N 2 0 377.532 3.393 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238074664 1433442164 /nfs/dbraw/zinc/44/21/64/1433442164.db2.gz OVJOPTVEVDEYTD-HSZRJFAPSA-N 2 0 377.532 3.393 20 0 GGADRP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000238106954 1433443157 /nfs/dbraw/zinc/44/31/57/1433443157.db2.gz RRZGYXXQOUELFT-HSZRJFAPSA-N 2 0 392.547 3.085 20 0 GGADRP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000238106792 1433443227 /nfs/dbraw/zinc/44/32/27/1433443227.db2.gz RRZGYXXQOUELFT-QHCPKHFHSA-N 2 0 392.547 3.085 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000245440335 1433468162 /nfs/dbraw/zinc/46/81/62/1433468162.db2.gz ULKHVRXDCWFDSQ-YADHBBJMSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000245459817 1433472331 /nfs/dbraw/zinc/47/23/31/1433472331.db2.gz VMVGMAQIALBXEH-WOJBJXKFSA-N 2 0 384.520 3.492 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554435 1433484497 /nfs/dbraw/zinc/48/44/97/1433484497.db2.gz GWXGCLMCVPSOQE-UXHICEINSA-N 2 0 387.568 3.240 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559804 1433484947 /nfs/dbraw/zinc/48/49/47/1433484947.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 0 379.976 3.422 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000245559802 1433485106 /nfs/dbraw/zinc/48/51/06/1433485106.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 0 379.976 3.422 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610535 1433490702 /nfs/dbraw/zinc/49/07/02/1433490702.db2.gz JYXAQPOPZWCBBZ-HKUYNNGSSA-N 2 0 397.485 3.470 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245645949 1433495088 /nfs/dbraw/zinc/49/50/88/1433495088.db2.gz BHRKNKINWGAQJT-VQIMIIECSA-N 2 0 396.938 3.257 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245653874 1433495794 /nfs/dbraw/zinc/49/57/94/1433495794.db2.gz CZIOBGYVZOSRPR-OGWOLHLISA-N 2 0 396.938 3.113 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245666823 1433497077 /nfs/dbraw/zinc/49/70/77/1433497077.db2.gz ASBJPQRNFCQCEB-FYYLOGMGSA-N 2 0 399.579 3.000 20 0 GGADRP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000245721733 1433505718 /nfs/dbraw/zinc/50/57/18/1433505718.db2.gz PUJFTGIWKBBQBM-FCHUYYIVSA-N 2 0 387.568 3.033 20 0 GGADRP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000245721742 1433505929 /nfs/dbraw/zinc/50/59/29/1433505929.db2.gz PUJFTGIWKBBQBM-FGZHOGPDSA-N 2 0 387.568 3.033 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245733932 1433507917 /nfs/dbraw/zinc/50/79/17/1433507917.db2.gz UITJMLDYJFXBPJ-LPHOPBHVSA-N 2 0 398.954 3.454 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)c1ccccc1 ZINC000245837210 1433524112 /nfs/dbraw/zinc/52/41/12/1433524112.db2.gz DKSMWZIZTGSMAE-GGAORHGYSA-N 2 0 379.548 3.360 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000245852576 1433526555 /nfs/dbraw/zinc/52/65/55/1433526555.db2.gz MPKMAWNDAGSNQP-IFMALSPDSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000245919261 1433542514 /nfs/dbraw/zinc/54/25/14/1433542514.db2.gz XIBOPCWQLNCVRN-UYAOXDASSA-N 2 0 384.524 3.236 20 0 GGADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000245956695 1433550680 /nfs/dbraw/zinc/55/06/80/1433550680.db2.gz LYKBJMWQCNMCNS-IJXRJRJASA-N 2 0 395.588 3.037 20 0 GGADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)n2)cc1 ZINC000245984944 1433553445 /nfs/dbraw/zinc/55/34/45/1433553445.db2.gz WCMPYUVFRGTTGA-HOTGVXAUSA-N 2 0 381.480 3.494 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998116 1433555927 /nfs/dbraw/zinc/55/59/27/1433555927.db2.gz RNKXBYHXUOCHRZ-QXAKKESOSA-N 2 0 378.586 3.257 20 0 GGADRP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010869 1433557426 /nfs/dbraw/zinc/55/74/26/1433557426.db2.gz ZNIMYNAQALHKHH-GOEBONIOSA-N 2 0 398.334 3.421 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000246061627 1433562826 /nfs/dbraw/zinc/56/28/26/1433562826.db2.gz ZFMKMLBDZIHRQH-VXKWHMMOSA-N 2 0 384.568 3.298 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000246174928 1433577982 /nfs/dbraw/zinc/57/79/82/1433577982.db2.gz JQWARNLPIGUKIC-AQNXPRMDSA-N 2 0 396.620 3.026 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000246177417 1433578249 /nfs/dbraw/zinc/57/82/49/1433578249.db2.gz LQCITPQNKPRXIP-MJGOQNOKSA-N 2 0 390.597 3.281 20 0 GGADRP C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209113 1433582054 /nfs/dbraw/zinc/58/20/54/1433582054.db2.gz XPIFMUMGCCZATQ-RTBURBONSA-N 2 0 389.609 3.465 20 0 GGADRP O=C(NCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C(F)(F)F ZINC000246211489 1433582271 /nfs/dbraw/zinc/58/22/71/1433582271.db2.gz YSSZNDGMILAXEO-QZTJIDSGSA-N 2 0 383.458 3.042 20 0 GGADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246219997 1433583479 /nfs/dbraw/zinc/58/34/79/1433583479.db2.gz BGCCFBFQQHCBSA-XQPJFTJZSA-N 2 0 376.589 3.011 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246226245 1433584070 /nfs/dbraw/zinc/58/40/70/1433584070.db2.gz BUJFUTWKIZUDRR-DYXWJJEUSA-N 2 0 376.589 3.299 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000246276188 1433588717 /nfs/dbraw/zinc/58/87/17/1433588717.db2.gz HMIUKQKHZJSVJE-YLJYHZDGSA-N 2 0 378.536 3.096 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000246276168 1433588772 /nfs/dbraw/zinc/58/87/72/1433588772.db2.gz HMIUKQKHZJSVJE-FXAWDEMLSA-N 2 0 378.536 3.096 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246287827 1433589923 /nfs/dbraw/zinc/58/99/23/1433589923.db2.gz IGKFRACJKLMUDI-WSTZPKSXSA-N 2 0 376.589 3.155 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000246289133 1433590225 /nfs/dbraw/zinc/59/02/25/1433590225.db2.gz CGGQWZUJKJJIFU-UXHICEINSA-N 2 0 375.532 3.132 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000246313190 1433593597 /nfs/dbraw/zinc/59/35/97/1433593597.db2.gz JZILQKCZPBNQQW-CBQOVEMMSA-N 2 0 384.568 3.165 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000246321043 1433594708 /nfs/dbraw/zinc/59/47/08/1433594708.db2.gz FKSJXDWPRNUAJX-MPJJRAAHSA-N 2 0 398.595 3.411 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000246356070 1433599869 /nfs/dbraw/zinc/59/98/69/1433599869.db2.gz JRHKGHARORNZCH-NGRWLJPCSA-N 2 0 386.584 3.126 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246373374 1433602505 /nfs/dbraw/zinc/60/25/05/1433602505.db2.gz MADGUSWQJMOWCA-UXJHKWJQSA-N 2 0 384.568 3.021 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246376183 1433603044 /nfs/dbraw/zinc/60/30/44/1433603044.db2.gz HBFIYVRBGDEPPN-GOTSBHOMSA-N 2 0 398.595 3.211 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246389176 1433605438 /nfs/dbraw/zinc/60/54/38/1433605438.db2.gz QYSWTEDGNFFEOF-NHCUHLMSSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246400242 1433607481 /nfs/dbraw/zinc/60/74/81/1433607481.db2.gz PXXJQCUFDSKHGW-DYXWJJEUSA-N 2 0 376.589 3.157 20 0 GGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000246404233 1433607802 /nfs/dbraw/zinc/60/78/02/1433607802.db2.gz QGPSAAXBFOGXEB-AABGKKOBSA-N 2 0 396.620 3.170 20 0 GGADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408714 1433608386 /nfs/dbraw/zinc/60/83/86/1433608386.db2.gz BKNKEWBIGMYYQJ-LDBYXDLTSA-N 2 0 391.506 3.433 20 0 GGADRP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246444777 1433614190 /nfs/dbraw/zinc/61/41/90/1433614190.db2.gz DNBJFBSHIYPIHG-LAUBAEHRSA-N 2 0 382.504 3.429 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246463975 1433616656 /nfs/dbraw/zinc/61/66/56/1433616656.db2.gz PLOXKBGGDZDHIP-RBBKRZOGSA-N 2 0 384.568 3.297 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246471866 1433617534 /nfs/dbraw/zinc/61/75/34/1433617534.db2.gz QPBVDSQNBNTYHM-DCXXXQMHSA-N 2 0 375.557 3.361 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000246477164 1433618707 /nfs/dbraw/zinc/61/87/07/1433618707.db2.gz VPFOMMNBJJHABK-YADHBBJMSA-N 2 0 386.584 3.067 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000246486243 1433619881 /nfs/dbraw/zinc/61/98/81/1433619881.db2.gz VZTNWTUVLOXWIU-QIJUGHKUSA-N 2 0 384.568 3.297 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000246514348 1433623806 /nfs/dbraw/zinc/62/38/06/1433623806.db2.gz XDMCQTQCQHUHLP-PMACEKPBSA-N 2 0 389.588 3.145 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000246529687 1433626284 /nfs/dbraw/zinc/62/62/84/1433626284.db2.gz WJJNPNLCOPUBJS-RTBURBONSA-N 2 0 392.613 3.380 20 0 GGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246542573 1433628027 /nfs/dbraw/zinc/62/80/27/1433628027.db2.gz JYCPHTHWAFMFGY-BKXMBWNOSA-N 2 0 384.564 3.390 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000246556024 1433630351 /nfs/dbraw/zinc/63/03/51/1433630351.db2.gz KQQBIWGEJAWADX-OPYAIIAOSA-N 2 0 396.539 3.096 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561813 1433631317 /nfs/dbraw/zinc/63/13/17/1433631317.db2.gz XESSGGSDVQOKOQ-YLJYHZDGSA-N 2 0 377.492 3.174 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000246560103 1433631338 /nfs/dbraw/zinc/63/13/38/1433631338.db2.gz BJIDCKCODHBNPU-FCHUYYIVSA-N 2 0 384.568 3.298 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000246560112 1433631493 /nfs/dbraw/zinc/63/14/93/1433631493.db2.gz BJIDCKCODHBNPU-FGZHOGPDSA-N 2 0 384.568 3.298 20 0 GGADRP C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246574121 1433633663 /nfs/dbraw/zinc/63/36/63/1433633663.db2.gz MOFNDJJVNAJHTB-AUSIDOKSSA-N 2 0 379.548 3.495 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000246590291 1433635456 /nfs/dbraw/zinc/63/54/56/1433635456.db2.gz PNZCVJSWESVMFR-BAGYTPMASA-N 2 0 384.568 3.309 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246636649 1433643630 /nfs/dbraw/zinc/64/36/30/1433643630.db2.gz CHBNLKBFRFWMNK-YUVXSKOASA-N 2 0 386.584 3.174 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000246707409 1433653224 /nfs/dbraw/zinc/65/32/24/1433653224.db2.gz WSBXJTPZILSLPT-NFBKMPQASA-N 2 0 377.532 3.244 20 0 GGADRP CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246714077 1433654137 /nfs/dbraw/zinc/65/41/37/1433654137.db2.gz XCUDSJFZCZNITH-YJSIEXFISA-N 2 0 395.547 3.118 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccs1 ZINC000246721075 1433655064 /nfs/dbraw/zinc/65/50/64/1433655064.db2.gz VCNPGDCADNWOPN-RYQLBKOJSA-N 2 0 376.570 3.009 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246724187 1433655573 /nfs/dbraw/zinc/65/55/73/1433655573.db2.gz VKIZAQFZIFQHRJ-RBUKOAKNSA-N 2 0 376.545 3.084 20 0 GGADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246755812 1433660887 /nfs/dbraw/zinc/66/08/87/1433660887.db2.gz ZTVFPEXFNHJMDL-DENIHFKCSA-N 2 0 386.584 3.400 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246757449 1433661385 /nfs/dbraw/zinc/66/13/85/1433661385.db2.gz XWKUUIDGOHPDMG-DZFGPLHGSA-N 2 0 388.531 3.087 20 0 GGADRP Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000246766539 1433662535 /nfs/dbraw/zinc/66/25/35/1433662535.db2.gz PRLHEZIZJPKOSZ-NHCUHLMSSA-N 2 0 384.568 3.324 20 0 GGADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000246783414 1433666270 /nfs/dbraw/zinc/66/62/70/1433666270.db2.gz BGWDQQGIQUBZKQ-VQTJNVASSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000246831915 1433675979 /nfs/dbraw/zinc/67/59/79/1433675979.db2.gz ALQUYJYZNDKIHT-NSISKUIASA-N 2 0 393.453 3.332 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246859388 1433679153 /nfs/dbraw/zinc/67/91/53/1433679153.db2.gz BVZLFBFJNZHIIP-IAGOWNOFSA-N 2 0 377.529 3.131 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246859411 1433679380 /nfs/dbraw/zinc/67/93/80/1433679380.db2.gz BVZLFBFJNZHIIP-SJORKVTESA-N 2 0 377.529 3.131 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000246886794 1433682824 /nfs/dbraw/zinc/68/28/24/1433682824.db2.gz FFOLKXOEUMJCIK-RBUKOAKNSA-N 2 0 398.551 3.098 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912122 1433686634 /nfs/dbraw/zinc/68/66/34/1433686634.db2.gz HNTNYJMNLZCZHU-GBXCKJPGSA-N 3 0 396.579 3.412 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928266 1433688310 /nfs/dbraw/zinc/68/83/10/1433688310.db2.gz SWCXDYAQNMSNHJ-RYLXDESZSA-N 2 0 385.552 3.210 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000247193753 1433689863 /nfs/dbraw/zinc/68/98/63/1433689863.db2.gz VYNNBUFZNGFITG-ZHALLVOQSA-N 2 0 381.586 3.146 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000247250157 1433696627 /nfs/dbraw/zinc/69/66/27/1433696627.db2.gz WCWMRTRTRGIDJR-VQIMIIECSA-N 2 0 378.948 3.118 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247299152 1433701896 /nfs/dbraw/zinc/70/18/96/1433701896.db2.gz FWJYQGFSOYJNIX-NJDAHSKKSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000247329976 1433707694 /nfs/dbraw/zinc/70/76/94/1433707694.db2.gz WVKZTJXJFGKJTL-NMIHRBCNSA-N 2 0 384.568 3.165 20 0 GGADRP C/C=C/c1ccc(OC[C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000247349801 1433711495 /nfs/dbraw/zinc/71/14/95/1433711495.db2.gz GPURWVWOJANTIQ-PQUYRQHNSA-N 2 0 388.552 3.276 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000247352606 1433711937 /nfs/dbraw/zinc/71/19/37/1433711937.db2.gz BGAHIBQDHQARIK-FCHUYYIVSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000247374489 1433714609 /nfs/dbraw/zinc/71/46/09/1433714609.db2.gz SMJGFSLGEUNPIG-QZTJIDSGSA-N 2 0 381.586 3.242 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247376672 1433714675 /nfs/dbraw/zinc/71/46/75/1433714675.db2.gz PMXKPCBADFVZFO-WOJBJXKFSA-N 2 0 386.584 3.489 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247394406 1433715976 /nfs/dbraw/zinc/71/59/76/1433715976.db2.gz QPVQXNOVHORVMJ-VAMGGRTRSA-N 2 0 378.605 3.403 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000247403971 1433717441 /nfs/dbraw/zinc/71/74/41/1433717441.db2.gz XRZDMVAXRDFOIE-UXHICEINSA-N 2 0 386.584 3.402 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000247433102 1433721609 /nfs/dbraw/zinc/72/16/09/1433721609.db2.gz NVHYBNNPMVHHCI-MOJGAOKDSA-N 2 0 398.595 3.317 20 0 GGADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247432192 1433721666 /nfs/dbraw/zinc/72/16/66/1433721666.db2.gz WOWMRZDZTQQHJO-FGZHOGPDSA-N 2 0 384.568 3.311 20 0 GGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247887063 1433755069 /nfs/dbraw/zinc/75/50/69/1433755069.db2.gz DIGOZTGKRYJQPT-GUDVDZBRSA-N 2 0 377.573 3.165 20 0 GGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247887058 1433755137 /nfs/dbraw/zinc/75/51/37/1433755137.db2.gz DIGOZTGKRYJQPT-CEXWTWQISA-N 2 0 377.573 3.165 20 0 GGADRP COc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937738 1433757599 /nfs/dbraw/zinc/75/75/99/1433757599.db2.gz CRXNRVSKESCNMP-PGRDOPGGSA-N 2 0 395.547 3.113 20 0 GGADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247956353 1433758669 /nfs/dbraw/zinc/75/86/69/1433758669.db2.gz FQOJYTPZADVCOU-AUSIDOKSSA-N 2 0 379.548 3.413 20 0 GGADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958290 1433759224 /nfs/dbraw/zinc/75/92/24/1433759224.db2.gz FWVLCBNMXSOIPA-OAOOKAIFSA-N 2 0 377.532 3.407 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4C3)c2)C1 ZINC000247974826 1433760326 /nfs/dbraw/zinc/76/03/26/1433760326.db2.gz HSCVGEZPDFUTKZ-DHIUTWEWSA-N 2 0 377.532 3.031 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CC[C@H]21 ZINC000248070116 1433767252 /nfs/dbraw/zinc/76/72/52/1433767252.db2.gz MNRQHQKEMLIPTP-AZUAARDMSA-N 2 0 375.532 3.369 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccccc43)c2)C1 ZINC000248202879 1433780267 /nfs/dbraw/zinc/78/02/67/1433780267.db2.gz ZFZWHEXJTSKSBC-IRLDBZIGSA-N 2 0 393.531 3.387 20 0 GGADRP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248388862 1433792991 /nfs/dbraw/zinc/79/29/91/1433792991.db2.gz AGICXKDLKSHTFQ-YTFSRNRJSA-N 2 0 377.532 3.218 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390617 1433793517 /nfs/dbraw/zinc/79/35/17/1433793517.db2.gz BKKJYRKKZQBYKF-LMVRJCEZSA-N 2 0 388.600 3.298 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000248393200 1433794852 /nfs/dbraw/zinc/79/48/52/1433794852.db2.gz GKUUVJRIYJBCDW-JHBZICRXSA-N 2 0 386.511 3.312 20 0 GGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000248402323 1433797990 /nfs/dbraw/zinc/79/79/90/1433797990.db2.gz NCYSACUVMIKOTD-ZJOUEHCJSA-N 2 0 398.595 3.385 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000248402793 1433798891 /nfs/dbraw/zinc/79/88/91/1433798891.db2.gz NTQOREFCAJXEKV-BQFCYCMXSA-N 2 0 379.570 3.362 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409073 1433800205 /nfs/dbraw/zinc/80/02/05/1433800205.db2.gz WHOLOVCTEIMLEQ-XKCSPQBFSA-N 2 0 395.522 3.446 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248411115 1433800424 /nfs/dbraw/zinc/80/04/24/1433800424.db2.gz YTOCVRUREQPYNL-SCTDSRPQSA-N 2 0 393.597 3.241 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000248411751 1433800567 /nfs/dbraw/zinc/80/05/67/1433800567.db2.gz ZPKLPHMAQHWWQW-NAVOZUGXSA-N 3 0 385.596 3.114 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248411738 1433800591 /nfs/dbraw/zinc/80/05/91/1433800591.db2.gz ZOHDXCWBFUEBFA-NLWGTHIKSA-N 2 0 388.556 3.369 20 0 GGADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248439322 1433802843 /nfs/dbraw/zinc/80/28/43/1433802843.db2.gz ILJKVACNWLROTC-HXOBKFHXSA-N 2 0 381.520 3.453 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cnn(Cc2ccccc2)c1 ZINC000248449906 1433803641 /nfs/dbraw/zinc/80/36/41/1433803641.db2.gz OSWNKEGKTJVTGP-YADARESESA-N 2 0 390.531 3.349 20 0 GGADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000248653237 1433813954 /nfs/dbraw/zinc/81/39/54/1433813954.db2.gz YPZJBOWZKLFBGT-JRGCBEDISA-N 2 0 376.541 3.252 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2sccc21 ZINC000248697709 1433815792 /nfs/dbraw/zinc/81/57/92/1433815792.db2.gz DWHPLMGEFJTLFD-WMZOPIPTSA-N 2 0 378.586 3.183 20 0 GGADRP C[C@@H]1C[C@@H](N[C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000248727709 1433818141 /nfs/dbraw/zinc/81/81/41/1433818141.db2.gz LKSDCMGEQHNVEI-TYCQWZJGSA-N 2 0 385.939 3.379 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248733728 1433818579 /nfs/dbraw/zinc/81/85/79/1433818579.db2.gz KHCMSUMYDUWTHC-DHIUTWEWSA-N 2 0 377.532 3.289 20 0 GGADRP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248749702 1433819871 /nfs/dbraw/zinc/81/98/71/1433819871.db2.gz SWWMBUASJXQHAW-XMSQKQJNSA-N 2 0 395.547 3.200 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770471 1433821477 /nfs/dbraw/zinc/82/14/77/1433821477.db2.gz XZHFBWIJJYYLOB-QRVBRYPASA-N 2 0 383.577 3.111 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248770109 1433821484 /nfs/dbraw/zinc/82/14/84/1433821484.db2.gz SLLXNPMJJQPPQC-FCHUYYIVSA-N 2 0 386.584 3.176 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000248806581 1433823460 /nfs/dbraw/zinc/82/34/60/1433823460.db2.gz KDZMWTWSEMNGMQ-PGRDOPGGSA-N 2 0 380.536 3.068 20 0 GGADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829349 1433824618 /nfs/dbraw/zinc/82/46/18/1433824618.db2.gz DTQOMZKAPRVFAQ-JCTONOIOSA-N 2 0 378.564 3.404 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248852082 1433825693 /nfs/dbraw/zinc/82/56/93/1433825693.db2.gz OWKCSKXGFSJOMI-SQMBMXPBSA-N 2 0 396.579 3.165 20 0 GGADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1(C)C ZINC000248912908 1433829243 /nfs/dbraw/zinc/82/92/43/1433829243.db2.gz VPAHZDDEQDMTTO-QHAWAJNXSA-N 2 0 387.568 3.066 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248945943 1433830235 /nfs/dbraw/zinc/83/02/35/1433830235.db2.gz DLAKMBDRHVTVPS-DEVSCXNHSA-N 2 0 383.492 3.374 20 0 GGADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C2 ZINC000249033995 1433832708 /nfs/dbraw/zinc/83/27/08/1433832708.db2.gz MHBHGYQTWPYNLM-VXKWHMMOSA-N 2 0 380.532 3.299 20 0 GGADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000249042180 1433832909 /nfs/dbraw/zinc/83/29/09/1433832909.db2.gz VHWXOLGGXGJCDW-QYZOEREBSA-N 2 0 383.577 3.255 20 0 GGADRP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCC[C@H](C)C1 ZINC000249133440 1433836692 /nfs/dbraw/zinc/83/66/92/1433836692.db2.gz TUJBNYNXZVLNKY-FKAKGIQBSA-N 2 0 383.536 3.304 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274899 1433840012 /nfs/dbraw/zinc/84/00/12/1433840012.db2.gz KMQOOOVKJGHXHB-UXHICEINSA-N 2 0 396.620 3.028 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392909 1433842574 /nfs/dbraw/zinc/84/25/74/1433842574.db2.gz AKWMOUVMPHOXKT-YOEHRIQHSA-N 2 0 385.911 3.144 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420297 1433843462 /nfs/dbraw/zinc/84/34/62/1433843462.db2.gz HJLQXRHYLLTTDH-DAYGRLMNSA-N 2 0 383.483 3.018 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420299 1433843533 /nfs/dbraw/zinc/84/35/33/1433843533.db2.gz HJLQXRHYLLTTDH-MPGHIAIKSA-N 2 0 383.483 3.018 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000249507639 1433845416 /nfs/dbraw/zinc/84/54/16/1433845416.db2.gz JUJFOFMUBAZLIA-WIYYLYMNSA-N 2 0 384.568 3.202 20 0 GGADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000249755288 1433851135 /nfs/dbraw/zinc/85/11/35/1433851135.db2.gz CQOHNASOWIFBEP-QRVBRYPASA-N 2 0 387.572 3.238 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000249755382 1433851153 /nfs/dbraw/zinc/85/11/53/1433851153.db2.gz CTBOBKKOLOMHEL-MSOLQXFVSA-N 2 0 376.545 3.006 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249760433 1433851327 /nfs/dbraw/zinc/85/13/27/1433851327.db2.gz XMWFWASRSKPACX-UXHICEINSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000249779720 1433851981 /nfs/dbraw/zinc/85/19/81/1433851981.db2.gz PCMNNCSOIAXGII-UXHICEINSA-N 2 0 386.584 3.113 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000249818642 1433852699 /nfs/dbraw/zinc/85/26/99/1433852699.db2.gz MMHWELLBUMCRHV-NQIIRXRSSA-N 2 0 387.568 3.459 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000249818646 1433852731 /nfs/dbraw/zinc/85/27/31/1433852731.db2.gz MMHWELLBUMCRHV-RXVVDRJESA-N 2 0 387.568 3.459 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000249956809 1433853787 /nfs/dbraw/zinc/85/37/87/1433853787.db2.gz JHVRCFUJTOIEHK-GUDVDZBRSA-N 2 0 392.609 3.467 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000250418412 1433856021 /nfs/dbraw/zinc/85/60/21/1433856021.db2.gz BPMZUODZAQYZTO-CEXWTWQISA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000250479951 1433856195 /nfs/dbraw/zinc/85/61/95/1433856195.db2.gz BREFJFJZYVWGHK-QZTJIDSGSA-N 2 0 378.586 3.305 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250820097 1433857335 /nfs/dbraw/zinc/85/73/35/1433857335.db2.gz RIAYQESQFDWBOL-DNQXCXABSA-N 2 0 391.559 3.332 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250820094 1433857362 /nfs/dbraw/zinc/85/73/62/1433857362.db2.gz RIAYQESQFDWBOL-BJKOFHAPSA-N 2 0 391.559 3.332 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000251542184 1433858803 /nfs/dbraw/zinc/85/88/03/1433858803.db2.gz GJRKXJMSRXGCRU-RBBKRZOGSA-N 2 0 384.568 3.024 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692404 1433864215 /nfs/dbraw/zinc/86/42/15/1433864215.db2.gz BHHANLJUAWWODG-BPUDTRNYSA-N 2 0 399.579 3.457 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000252692252 1433864298 /nfs/dbraw/zinc/86/42/98/1433864298.db2.gz UDGSMZSBTXMWDN-RZFNWQHOSA-N 2 0 396.579 3.092 20 0 GGADRP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000252726713 1433864383 /nfs/dbraw/zinc/86/43/83/1433864383.db2.gz DWKWODWJKREEJD-LEWJYISDSA-N 2 0 398.551 3.166 20 0 GGADRP C(=C\CN1CCC[C@@H]1C[NH+]1CCCCC1)\CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000255336400 1433880723 /nfs/dbraw/zinc/88/07/23/1433880723.db2.gz AHIHOYCJHZYUKB-JYWJTCDSSA-N 2 0 388.644 3.443 20 0 GGADRP C(=C\CN1CC[C@H](C[NH+]2CCCCC2)C1)\CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255337879 1433880828 /nfs/dbraw/zinc/88/08/28/1433880828.db2.gz IDIBDCILPUSWHZ-JYWJTCDSSA-N 2 0 388.644 3.158 20 0 GGADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000255437244 1433882955 /nfs/dbraw/zinc/88/29/55/1433882955.db2.gz VRZCWDMTDDPJQP-ARJAWSKDSA-N 2 0 381.495 3.454 20 0 GGADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000261386568 1433895494 /nfs/dbraw/zinc/89/54/94/1433895494.db2.gz MMGYFIPKMVZIMJ-FQEVSTJZSA-N 2 0 392.547 3.289 20 0 GGADRP CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000261479710 1433896891 /nfs/dbraw/zinc/89/68/91/1433896891.db2.gz ZXVYQMWRAZYYNP-RTWAWAEBSA-N 2 0 384.568 3.139 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261649454 1433898177 /nfs/dbraw/zinc/89/81/77/1433898177.db2.gz ALFJVIKHNRWAFG-OFNKIYASSA-N 2 0 377.532 3.434 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cc2)CC1 ZINC000261762219 1433902220 /nfs/dbraw/zinc/90/22/20/1433902220.db2.gz QHDIDHFKIJLHFX-UHFFFAOYSA-N 2 0 396.510 3.254 20 0 GGADRP Cc1cc(OCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C(C)C ZINC000261794640 1433904589 /nfs/dbraw/zinc/90/45/89/1433904589.db2.gz ILWVOICRHXMTCN-KNQAVFIVSA-N 2 0 387.568 3.077 20 0 GGADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261877556 1433908813 /nfs/dbraw/zinc/90/88/13/1433908813.db2.gz SLBSGMVHCARWNN-INIZCTEOSA-N 2 0 383.458 3.129 20 0 GGADRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261921108 1433913081 /nfs/dbraw/zinc/91/30/81/1433913081.db2.gz UYOKGPSLVMEQAR-WBVHZDCISA-N 2 0 383.508 3.082 20 0 GGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000261927940 1433913926 /nfs/dbraw/zinc/91/39/26/1433913926.db2.gz CKPGITLJZCBSAZ-NRFANRHFSA-N 2 0 381.520 3.085 20 0 GGADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000261937668 1433914387 /nfs/dbraw/zinc/91/43/87/1433914387.db2.gz ZTJIOQVQGKIQAN-GOSISDBHSA-N 2 0 386.540 3.219 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261969788 1433918304 /nfs/dbraw/zinc/91/83/04/1433918304.db2.gz CVDQQYQZWMFEDY-CQSZACIVSA-N 2 0 387.446 3.084 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261981104 1433919287 /nfs/dbraw/zinc/91/92/87/1433919287.db2.gz RIRWOMXKOBDWFA-MAUKXSAKSA-N 2 0 383.458 3.094 20 0 GGADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000261996073 1433920482 /nfs/dbraw/zinc/92/04/82/1433920482.db2.gz NUZMHBHWBBVPEX-HSZRJFAPSA-N 2 0 379.548 3.408 20 0 GGADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000262015019 1433922264 /nfs/dbraw/zinc/92/22/64/1433922264.db2.gz MQUIIOWOIMPGQE-NRFANRHFSA-N 2 0 381.520 3.085 20 0 GGADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])c2)CC1 ZINC000262242598 1433932273 /nfs/dbraw/zinc/93/22/73/1433932273.db2.gz HWTPBQAONJBNEM-JREAUHRESA-N 2 0 384.568 3.309 20 0 GGADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262301324 1433934096 /nfs/dbraw/zinc/93/40/96/1433934096.db2.gz BNUQFJYKQDRLCN-FDDCHVKYSA-N 2 0 398.551 3.219 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000262331599 1433935401 /nfs/dbraw/zinc/93/54/01/1433935401.db2.gz GTEOAQROYDJOHW-QFIPXVFZSA-N 2 0 381.520 3.024 20 0 GGADRP CCC(CC)(CNC(=O)C1(COC)CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000262364051 1433936731 /nfs/dbraw/zinc/93/67/31/1433936731.db2.gz KTNZLUBIJDLJHA-GOSISDBHSA-N 2 0 375.557 3.028 20 0 GGADRP C[C@H]1CN(Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262395962 1433937583 /nfs/dbraw/zinc/93/75/83/1433937583.db2.gz OTOWGFDLFSZWFM-CPIDIKAKSA-N 2 0 385.552 3.388 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000262409039 1433937908 /nfs/dbraw/zinc/93/79/08/1433937908.db2.gz SESRCFINVVKUMT-HZPDHXFCSA-N 2 0 386.565 3.052 20 0 GGADRP CCCN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262433644 1433938784 /nfs/dbraw/zinc/93/87/84/1433938784.db2.gz WYGHJHJDKBRQFQ-GOSISDBHSA-N 2 0 386.565 3.161 20 0 GGADRP C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000262438601 1433939006 /nfs/dbraw/zinc/93/90/06/1433939006.db2.gz UQSYHTNFHOHQLE-DENIHFKCSA-N 2 0 380.536 3.073 20 0 GGADRP C[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000262438607 1433939164 /nfs/dbraw/zinc/93/91/64/1433939164.db2.gz UQSYHTNFHOHQLE-SIKLNZKXSA-N 2 0 380.536 3.073 20 0 GGADRP C[N@H+](Cc1ccccc1CNC(=O)c1csc(CC[NH3+])n1)C1CCCCC1 ZINC000262448341 1433939578 /nfs/dbraw/zinc/93/95/78/1433939578.db2.gz ZAYIYOJECLJXAJ-UHFFFAOYSA-N 2 0 386.565 3.339 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468746 1433940483 /nfs/dbraw/zinc/94/04/83/1433940483.db2.gz GQAAKZIHPXFRGZ-OFNKIYASSA-N 2 0 387.568 3.067 20 0 GGADRP [NH3+][C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000262585102 1433944721 /nfs/dbraw/zinc/94/47/21/1433944721.db2.gz OEKQPZIVZZAXLI-UYAOXDASSA-N 2 0 391.437 3.257 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC3(C[NH3+])CCCCC3)cc2)C[C@@H](C)O1 ZINC000262609856 1433946103 /nfs/dbraw/zinc/94/61/03/1433946103.db2.gz ANNGVRZUNDTHDN-RTBURBONSA-N 2 0 387.568 3.211 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)CC3(C[NH3+])CCCCC3)CC2)cc1 ZINC000262651793 1433947725 /nfs/dbraw/zinc/94/77/25/1433947725.db2.gz JMOGOFKEZZKWGN-UHFFFAOYSA-N 2 0 387.568 3.323 20 0 GGADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000262652769 1433948206 /nfs/dbraw/zinc/94/82/06/1433948206.db2.gz YPFYULLFKARISZ-IEZWGBDMSA-N 2 0 383.458 3.027 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)ccc1OC ZINC000262663315 1433948422 /nfs/dbraw/zinc/94/84/22/1433948422.db2.gz OJYGARMQSDXVMD-OAQYLSRUSA-N 2 0 385.508 3.363 20 0 GGADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262658142 1433948569 /nfs/dbraw/zinc/94/85/69/1433948569.db2.gz DPVMVMJZLJENBY-FZONSQQESA-N 2 0 395.547 3.248 20 0 GGADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262669298 1433948930 /nfs/dbraw/zinc/94/89/30/1433948930.db2.gz MFLSKRIYFCVLKD-XMMPIXPASA-N 2 0 393.575 3.408 20 0 GGADRP C[C@H](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262673607 1433949324 /nfs/dbraw/zinc/94/93/24/1433949324.db2.gz QEHREKMDBLNTAB-MJGOQNOKSA-N 2 0 377.960 3.400 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262686027 1433950115 /nfs/dbraw/zinc/95/01/15/1433950115.db2.gz XSQVJXQVPVAOIM-UWJYYQICSA-N 2 0 396.535 3.033 20 0 GGADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000262697284 1433950387 /nfs/dbraw/zinc/95/03/87/1433950387.db2.gz XXYWVJDPOXBZSS-RTBURBONSA-N 2 0 379.589 3.024 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262698879 1433950563 /nfs/dbraw/zinc/95/05/63/1433950563.db2.gz BRKJYDUCWCMAQC-NRFANRHFSA-N 2 0 395.551 3.114 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)cc1)C(C)C ZINC000262738515 1433953202 /nfs/dbraw/zinc/95/32/02/1433953202.db2.gz DAGSBQRHUISXJD-UHFFFAOYSA-N 2 0 392.507 3.413 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752390 1433953463 /nfs/dbraw/zinc/95/34/63/1433953463.db2.gz ACTVHYKREJXHJN-LLBVYWAGSA-N 2 0 387.568 3.067 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747937 1433953704 /nfs/dbraw/zinc/95/37/04/1433953704.db2.gz KBEBYAVHQYFFGW-UNMCSNQZSA-N 2 0 395.551 3.011 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763503 1433954868 /nfs/dbraw/zinc/95/48/68/1433954868.db2.gz FGQCKVYMMVIKMN-OFNKIYASSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771789 1433955091 /nfs/dbraw/zinc/95/50/91/1433955091.db2.gz IABDAYXGHQHQKD-NFBKMPQASA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771791 1433955191 /nfs/dbraw/zinc/95/51/91/1433955191.db2.gz IABDAYXGHQHQKD-NZQKXSOJSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777283 1433955589 /nfs/dbraw/zinc/95/55/89/1433955589.db2.gz JSKBMYRKXQOQBD-NZQKXSOJSA-N 2 0 387.568 3.211 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262783949 1433955946 /nfs/dbraw/zinc/95/59/46/1433955946.db2.gz NQYMEUQAQCPKSQ-NRFANRHFSA-N 2 0 395.551 3.114 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789043 1433956362 /nfs/dbraw/zinc/95/63/62/1433956362.db2.gz NJKNEQHSNFQELY-NFBKMPQASA-N 2 0 387.568 3.211 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812399 1433957963 /nfs/dbraw/zinc/95/79/63/1433957963.db2.gz VMFWESLMBLARIF-LYHRCORUSA-N 2 0 387.568 3.299 20 0 GGADRP COc1ccc([C@@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000262824401 1433959462 /nfs/dbraw/zinc/95/94/62/1433959462.db2.gz XUISOPUKVAAANS-FYYLOGMGSA-N 2 0 381.520 3.213 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262832917 1433959775 /nfs/dbraw/zinc/95/97/75/1433959775.db2.gz SEYVPSXPDVGUTA-GHTZIAJQSA-N 2 0 395.551 3.112 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000262917319 1433966897 /nfs/dbraw/zinc/96/68/97/1433966897.db2.gz GLAJDEDSGNAXKF-SIKLNZKXSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263168283 1433991638 /nfs/dbraw/zinc/99/16/38/1433991638.db2.gz FMEFWMPBRCHMGL-CTNGQTDRSA-N 2 0 393.959 3.207 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000263168285 1433991799 /nfs/dbraw/zinc/99/17/99/1433991799.db2.gz FMEFWMPBRCHMGL-PZJWPPBQSA-N 2 0 393.959 3.207 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000263183220 1433992907 /nfs/dbraw/zinc/99/29/07/1433992907.db2.gz GZHGRKQGZPQODD-DENIHFKCSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000263183226 1433993080 /nfs/dbraw/zinc/99/30/80/1433993080.db2.gz GZHGRKQGZPQODD-UGKGYDQZSA-N 2 0 386.540 3.347 20 0 GGADRP COc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[NH+]2CCCCC2)cc1 ZINC000263254829 1433998838 /nfs/dbraw/zinc/99/88/38/1433998838.db2.gz QHASUWCBPJRDLY-IMCGBYKHSA-N 2 0 399.579 3.492 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000263299060 1434001059 /nfs/dbraw/zinc/00/10/59/1434001059.db2.gz WUNDJBDFNODQTE-KNQAVFIVSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@@H](C)O1 ZINC000263832322 1434039204 /nfs/dbraw/zinc/03/92/04/1434039204.db2.gz SMUCCRSUHLHTKW-WOJBJXKFSA-N 2 0 399.579 3.244 20 0 GGADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000263832320 1434039404 /nfs/dbraw/zinc/03/94/04/1434039404.db2.gz SMUCCRSUHLHTKW-PMACEKPBSA-N 2 0 399.579 3.244 20 0 GGADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)C[C@H](C)O1 ZINC000264155338 1434076448 /nfs/dbraw/zinc/07/64/48/1434076448.db2.gz HKKJJZIDBKHFLN-PMACEKPBSA-N 2 0 399.579 3.244 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000264702325 1434145744 /nfs/dbraw/zinc/14/57/44/1434145744.db2.gz BNMDUWKPQLWZFW-UHFFFAOYSA-N 2 0 390.572 3.079 20 0 GGADRP COc1cccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000264739913 1434150641 /nfs/dbraw/zinc/15/06/41/1434150641.db2.gz KXEKFUBZHKWQFX-OAQYLSRUSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264750787 1434151644 /nfs/dbraw/zinc/15/16/44/1434151644.db2.gz MEBFOEGTEMLOAJ-UHFFFAOYSA-N 2 0 399.579 3.050 20 0 GGADRP COc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1OC(C)C ZINC000265628041 1434251619 /nfs/dbraw/zinc/25/16/19/1434251619.db2.gz RFIOWRRSOZPKDY-UHFFFAOYSA-N 2 0 399.535 3.064 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000265916489 1434282471 /nfs/dbraw/zinc/28/24/71/1434282471.db2.gz YXQYUOVFPWRACE-UHFFFAOYSA-N 2 0 387.911 3.139 20 0 GGADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000266177380 1434308318 /nfs/dbraw/zinc/30/83/18/1434308318.db2.gz UNVNCMXQWFOXFL-UHFFFAOYSA-N 2 0 397.485 3.470 20 0 GGADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000266284197 1434316330 /nfs/dbraw/zinc/31/63/30/1434316330.db2.gz BNGDIKBYQMGZSJ-FQEVSTJZSA-N 2 0 386.584 3.021 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000266426781 1434334801 /nfs/dbraw/zinc/33/48/01/1434334801.db2.gz RFVVGWWUFMPIMS-AZUAARDMSA-N 2 0 397.485 3.241 20 0 GGADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000266724089 1434367894 /nfs/dbraw/zinc/36/78/94/1434367894.db2.gz KFFQJMUDSLGCOL-UHFFFAOYSA-N 2 0 379.932 3.245 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267299084 1434420488 /nfs/dbraw/zinc/42/04/88/1434420488.db2.gz KGQRNLKQQMMDHL-UHFFFAOYSA-N 2 0 384.568 3.489 20 0 GGADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000267359280 1434425563 /nfs/dbraw/zinc/42/55/63/1434425563.db2.gz IYMWDTFGONLGOZ-UGKGYDQZSA-N 2 0 386.584 3.270 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000267883469 1434473714 /nfs/dbraw/zinc/47/37/14/1434473714.db2.gz PWKQCPYPKPGHCQ-UHFFFAOYSA-N 2 0 399.510 3.161 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000267885048 1434473977 /nfs/dbraw/zinc/47/39/77/1434473977.db2.gz PPESTTBLFNGHCH-HXUWFJFHSA-N 2 0 387.524 3.116 20 0 GGADRP CC[NH+](CC)CCSCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000267887507 1434474197 /nfs/dbraw/zinc/47/41/97/1434474197.db2.gz OYONSZZTEPDVAW-UHFFFAOYSA-N 2 0 377.598 3.184 20 0 GGADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268410909 1434520154 /nfs/dbraw/zinc/52/01/54/1434520154.db2.gz HTWKRGDQYCPRTQ-UHFFFAOYSA-N 2 0 392.494 3.092 20 0 GGADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268423763 1434521356 /nfs/dbraw/zinc/52/13/56/1434521356.db2.gz MTUZPPWGUHVQCB-UHFFFAOYSA-N 2 0 384.568 3.182 20 0 GGADRP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268569013 1434535015 /nfs/dbraw/zinc/53/50/15/1434535015.db2.gz QUFWTOYATGOZFV-HXUWFJFHSA-N 2 0 375.532 3.337 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268746557 1434552641 /nfs/dbraw/zinc/55/26/41/1434552641.db2.gz HZXFNTKHFUUMPL-HRAATJIYSA-N 2 0 388.508 3.028 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC)c(OC)c1 ZINC000268768850 1434554986 /nfs/dbraw/zinc/55/49/86/1434554986.db2.gz OWOGADMGPMHUFA-IBGZPJMESA-N 2 0 384.524 3.092 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268768034 1434554999 /nfs/dbraw/zinc/55/49/99/1434554999.db2.gz OONKUJAGQZFVMS-GOSISDBHSA-N 2 0 379.508 3.118 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268770515 1434555205 /nfs/dbraw/zinc/55/52/05/1434555205.db2.gz LNPWVLJEJQUFQB-LJQANCHMSA-N 2 0 383.536 3.314 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770891 1434555384 /nfs/dbraw/zinc/55/53/84/1434555384.db2.gz SLCGIONEMPONKH-BULFRSBZSA-N 2 0 384.520 3.237 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000268801453 1434558573 /nfs/dbraw/zinc/55/85/73/1434558573.db2.gz HOVYWRTWYUHJDP-MRXNPFEDSA-N 2 0 385.499 3.365 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805817 1434559325 /nfs/dbraw/zinc/55/93/25/1434559325.db2.gz HHPUMPYDGOGQPD-ZCNNSNEGSA-N 2 0 375.557 3.063 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000268808736 1434559713 /nfs/dbraw/zinc/55/97/13/1434559713.db2.gz CJKFQGNSGBMUAN-KRWDZBQOSA-N 2 0 395.975 3.168 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCN1Cc1ccccc1 ZINC000268808429 1434559898 /nfs/dbraw/zinc/55/98/98/1434559898.db2.gz LMMSHKOKQOVHQC-NFBKMPQASA-N 2 0 384.612 3.188 20 0 GGADRP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268822568 1434561192 /nfs/dbraw/zinc/56/11/92/1434561192.db2.gz SHUYZFKRXBVXDA-GOSISDBHSA-N 2 0 390.549 3.142 20 0 GGADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839553 1434563243 /nfs/dbraw/zinc/56/32/43/1434563243.db2.gz QMSRHMPWNJLMAT-UWJYYQICSA-N 2 0 387.549 3.201 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859376 1434565445 /nfs/dbraw/zinc/56/54/45/1434565445.db2.gz YIHXAJVLCSATDH-URXFXBBRSA-N 2 0 387.612 3.420 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268865913 1434565846 /nfs/dbraw/zinc/56/58/46/1434565846.db2.gz KNIBGPXCVQTDRV-RTBURBONSA-N 2 0 389.588 3.141 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881648 1434567530 /nfs/dbraw/zinc/56/75/30/1434567530.db2.gz HZQRUJGLAUILMO-VIZSFHNOSA-N 2 0 389.584 3.311 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881637 1434567670 /nfs/dbraw/zinc/56/76/70/1434567670.db2.gz HZQRUJGLAUILMO-JTAQYXEDSA-N 2 0 389.584 3.311 20 0 GGADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268979298 1434578067 /nfs/dbraw/zinc/57/80/67/1434578067.db2.gz KHHHYDZGZVCDRH-GOSISDBHSA-N 2 0 394.519 3.021 20 0 GGADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000268997894 1434579950 /nfs/dbraw/zinc/57/99/50/1434579950.db2.gz INOAVOQUWHAVJA-INIZCTEOSA-N 2 0 381.948 3.190 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269021812 1434582659 /nfs/dbraw/zinc/58/26/59/1434582659.db2.gz PTTURTQKPOLNEE-OAHLLOKOSA-N 2 0 375.513 3.027 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000269070753 1434587909 /nfs/dbraw/zinc/58/79/09/1434587909.db2.gz WZOJMESDCGDFHF-INIZCTEOSA-N 2 0 375.513 3.373 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269127972 1434595397 /nfs/dbraw/zinc/59/53/97/1434595397.db2.gz YVBJNPRGDKRVRY-LSDHHAIUSA-N 2 0 389.462 3.369 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269169414 1434600814 /nfs/dbraw/zinc/60/08/14/1434600814.db2.gz RBPHSFGDLITPND-FGZHOGPDSA-N 2 0 387.568 3.026 20 0 GGADRP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000269249635 1434613379 /nfs/dbraw/zinc/61/33/79/1434613379.db2.gz GIZBXKINLXOLJQ-VQTJNVASSA-N 2 0 378.520 3.075 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000269260058 1434614995 /nfs/dbraw/zinc/61/49/95/1434614995.db2.gz MCYIMHDESVQZQF-VGOFRKELSA-N 2 0 399.510 3.121 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000269260059 1434615157 /nfs/dbraw/zinc/61/51/57/1434615157.db2.gz MCYIMHDESVQZQF-VGSWGCGISA-N 2 0 399.510 3.121 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264512 1434615462 /nfs/dbraw/zinc/61/54/62/1434615462.db2.gz OOHOPEYCOHXUBQ-XMSQKQJNSA-N 2 0 380.536 3.412 20 0 GGADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000269534203 1434657169 /nfs/dbraw/zinc/65/71/69/1434657169.db2.gz XWVGOMXSJUNALH-FQEVSTJZSA-N 2 0 399.535 3.122 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000269641626 1434666070 /nfs/dbraw/zinc/66/60/70/1434666070.db2.gz JWXXIBJUHNTCGG-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269704639 1434670781 /nfs/dbraw/zinc/67/07/81/1434670781.db2.gz QJYSRBCGWRDHGF-JTHBVZDNSA-N 2 0 381.564 3.374 20 0 GGADRP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000270004895 1434692829 /nfs/dbraw/zinc/69/28/29/1434692829.db2.gz SIFMCZNEOFUWAK-UHFFFAOYSA-N 2 0 390.959 3.255 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OCC[NH+](C)C)c1 ZINC000270091081 1434701963 /nfs/dbraw/zinc/70/19/63/1434701963.db2.gz BTUGMPJAQHRXMZ-LJQANCHMSA-N 2 0 388.556 3.131 20 0 GGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000270112323 1434704059 /nfs/dbraw/zinc/70/40/59/1434704059.db2.gz NFLYLLWRMGSRDY-JOCHJYFZSA-N 2 0 398.595 3.067 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000270485415 1434737884 /nfs/dbraw/zinc/73/78/84/1434737884.db2.gz AHMGMDQZZQJMSX-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000270703754 1434764040 /nfs/dbraw/zinc/76/40/40/1434764040.db2.gz JDOLHMDSUSOOOD-KXBFYZLASA-N 2 0 396.938 3.255 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000270703750 1434764160 /nfs/dbraw/zinc/76/41/60/1434764160.db2.gz JDOLHMDSUSOOOD-BEFAXECRSA-N 2 0 396.938 3.255 20 0 GGADRP Cc1ccc2c(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc(=O)oc2c1 ZINC000270907298 1434786903 /nfs/dbraw/zinc/78/69/03/1434786903.db2.gz NLEVAYDSQJKDDG-UHFFFAOYSA-N 2 0 383.536 3.092 20 0 GGADRP CCCOc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000271180299 1434806623 /nfs/dbraw/zinc/80/66/23/1434806623.db2.gz CERXZSCEBMILFE-UHFFFAOYSA-N 2 0 389.584 3.474 20 0 GGADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000271200253 1434807670 /nfs/dbraw/zinc/80/76/70/1434807670.db2.gz IQMVMDLYRUMZNK-UHFFFAOYSA-N 2 0 388.508 3.298 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC000271203160 1434807977 /nfs/dbraw/zinc/80/79/77/1434807977.db2.gz JJVZODAMIHYDBB-UHFFFAOYSA-N 2 0 385.531 3.206 20 0 GGADRP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)[NH+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217733 1434808902 /nfs/dbraw/zinc/80/89/02/1434808902.db2.gz JEFXBRUQUOUFRN-CTWRKMMKSA-N 2 0 384.572 3.324 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000271299014 1434814284 /nfs/dbraw/zinc/81/42/84/1434814284.db2.gz GHEBHKBXTNSGEZ-HNNXBMFYSA-N 2 0 377.554 3.432 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271452999 1434826059 /nfs/dbraw/zinc/82/60/59/1434826059.db2.gz ZCOXAOYKSRMOMK-OAHLLOKOSA-N 2 0 377.554 3.432 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000271494700 1434829463 /nfs/dbraw/zinc/82/94/63/1434829463.db2.gz MICWDSHTCGKWJA-QFIPXVFZSA-N 2 0 381.520 3.154 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000271494696 1434829495 /nfs/dbraw/zinc/82/94/95/1434829495.db2.gz MICWDSHTCGKWJA-JOCHJYFZSA-N 2 0 381.520 3.154 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271517205 1434831206 /nfs/dbraw/zinc/83/12/06/1434831206.db2.gz OZUBKSFAAPWONK-ORYQWCPZSA-N 2 0 388.556 3.245 20 0 GGADRP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC000271537330 1434833095 /nfs/dbraw/zinc/83/30/95/1434833095.db2.gz SCRCHKFLAIRGNH-RRQGHBQHSA-N 2 0 384.467 3.325 20 0 GGADRP CC[NH+](CC)CCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271595857 1434837975 /nfs/dbraw/zinc/83/79/75/1434837975.db2.gz SZYNMEHRVMUPOL-UHFFFAOYSA-N 2 0 375.561 3.061 20 0 GGADRP C[NH+](C)CCCCCCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271627627 1434840092 /nfs/dbraw/zinc/84/00/92/1434840092.db2.gz ZOYXFRNMRPMCPI-UHFFFAOYSA-N 2 0 375.561 3.109 20 0 GGADRP C[NH+](CCCn1ccnc1)Cc1ccccc1C[N@H+](C)CCCn1ccnc1 ZINC000271726380 1434846471 /nfs/dbraw/zinc/84/64/71/1434846471.db2.gz SNLOGZIZWCDQLB-UHFFFAOYSA-N 2 0 380.540 3.124 20 0 GGADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000271856169 1434855008 /nfs/dbraw/zinc/85/50/08/1434855008.db2.gz NHBQFIBUGXLXHW-MRXNPFEDSA-N 2 0 375.538 3.027 20 0 GGADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(CCCC(=O)OC)CC2)c1 ZINC000271854172 1434855076 /nfs/dbraw/zinc/85/50/76/1434855076.db2.gz WVKIDGRSZHOJQJ-UHFFFAOYSA-N 2 0 375.557 3.036 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212419 1434878306 /nfs/dbraw/zinc/87/83/06/1434878306.db2.gz QJJNJXTXVZUVQT-QUCCMNQESA-N 2 0 386.584 3.459 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000272242685 1434881048 /nfs/dbraw/zinc/88/10/48/1434881048.db2.gz AVXPNHCTSGBZMS-LJQANCHMSA-N 2 0 376.447 3.424 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307547 1434885967 /nfs/dbraw/zinc/88/59/67/1434885967.db2.gz IDQGIOIDJWCVLW-ICSRJNTNSA-N 2 0 381.520 3.384 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272400180 1434894019 /nfs/dbraw/zinc/89/40/19/1434894019.db2.gz YSPHCUZGOQVKFJ-AJSBUHFISA-N 2 0 398.595 3.270 20 0 GGADRP c1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000272424070 1434895260 /nfs/dbraw/zinc/89/52/60/1434895260.db2.gz MFMSSXVEFUGJRK-DEOSSOPVSA-N 2 0 387.531 3.368 20 0 GGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272449719 1434897200 /nfs/dbraw/zinc/89/72/00/1434897200.db2.gz PLOGFYPPXJBGNS-RXVVDRJESA-N 2 0 386.540 3.109 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272468114 1434898325 /nfs/dbraw/zinc/89/83/25/1434898325.db2.gz HYGUMRCJLBXPML-JKLQHZFJSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272534809 1434904809 /nfs/dbraw/zinc/90/48/09/1434904809.db2.gz PDWOYLSULQSAJV-UVUJQTEASA-N 2 0 384.568 3.023 20 0 GGADRP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272543423 1434906124 /nfs/dbraw/zinc/90/61/24/1434906124.db2.gz QDTYTHULIFLKAY-DENIHFKCSA-N 2 0 386.584 3.270 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272553214 1434907076 /nfs/dbraw/zinc/90/70/76/1434907076.db2.gz SWTQIEULIJWCBK-LRXVAGHRSA-N 2 0 384.520 3.237 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272569586 1434908806 /nfs/dbraw/zinc/90/88/06/1434908806.db2.gz SWJJUWZIMRMVHY-FPOVZHCZSA-N 2 0 386.584 3.413 20 0 GGADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000272575889 1434909692 /nfs/dbraw/zinc/90/96/92/1434909692.db2.gz PQLHKXVBXOWKJA-CYBMUJFWSA-N 2 0 390.496 3.074 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000272579346 1434910403 /nfs/dbraw/zinc/91/04/03/1434910403.db2.gz MGKNYCNIVWVGLJ-GBAJDQEWSA-N 2 0 384.568 3.023 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)nc2)CC1 ZINC000272611336 1434915052 /nfs/dbraw/zinc/91/50/52/1434915052.db2.gz WDCATWTVYJZRTJ-UHFFFAOYSA-N 2 0 399.505 3.441 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272691945 1434923266 /nfs/dbraw/zinc/92/32/66/1434923266.db2.gz WBSJSBDAYPEPIE-ZRCGQRJVSA-N 2 0 394.563 3.307 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272691943 1434923387 /nfs/dbraw/zinc/92/33/87/1434923387.db2.gz WBSJSBDAYPEPIE-TXTKFYIRSA-N 2 0 394.563 3.307 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272691944 1434923419 /nfs/dbraw/zinc/92/34/19/1434923419.db2.gz WBSJSBDAYPEPIE-VIZSFHNOSA-N 2 0 394.563 3.307 20 0 GGADRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC(=O)OC(C)(C)C ZINC000272711615 1434925214 /nfs/dbraw/zinc/92/52/14/1434925214.db2.gz BKACLGMSDYPASL-HLIPFELVSA-N 2 0 391.556 3.035 20 0 GGADRP CCNC(=O)COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272762071 1434929103 /nfs/dbraw/zinc/92/91/03/1434929103.db2.gz LTRDNKFNUNGJGV-UGKGYDQZSA-N 2 0 395.547 3.202 20 0 GGADRP C[N@@H+]1CCN(CCC[NH2+]C2CCN(c3nccs3)CC2)[C@H](c2ccccc2)C1 ZINC000272775048 1434930093 /nfs/dbraw/zinc/93/00/93/1434930093.db2.gz YCQMICCFXFQHGJ-NRFANRHFSA-N 2 0 399.608 3.080 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000272794030 1434931536 /nfs/dbraw/zinc/93/15/36/1434931536.db2.gz YAEIIKGCTRRMOR-MBSDFSHPSA-N 2 0 376.504 3.290 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000272822292 1434933818 /nfs/dbraw/zinc/93/38/18/1434933818.db2.gz NIIFECLSNOXPIQ-HSZRJFAPSA-N 2 0 395.547 3.025 20 0 GGADRP C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272837638 1434935001 /nfs/dbraw/zinc/93/50/01/1434935001.db2.gz QUKWBPMHLISRJB-SJROBZAFSA-N 2 0 385.596 3.255 20 0 GGADRP C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272837634 1434935082 /nfs/dbraw/zinc/93/50/82/1434935082.db2.gz QUKWBPMHLISRJB-NAMDQGSHSA-N 2 0 385.596 3.255 20 0 GGADRP C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875616 1434938082 /nfs/dbraw/zinc/93/80/82/1434938082.db2.gz WWZPBDASHHZFQZ-FPOVZHCZSA-N 2 0 381.568 3.437 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272889596 1434938991 /nfs/dbraw/zinc/93/89/91/1434938991.db2.gz YZWBOGPJGQKCOS-FCEWJHQRSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000272963378 1434944784 /nfs/dbraw/zinc/94/47/84/1434944784.db2.gz NRGXXKXVEKXJSB-WWPVKYPJSA-N 2 0 396.579 3.333 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000272994101 1434947705 /nfs/dbraw/zinc/94/77/05/1434947705.db2.gz QKBKVZATCHXSDA-FPOVZHCZSA-N 2 0 384.568 3.190 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000273383623 1434985147 /nfs/dbraw/zinc/98/51/47/1434985147.db2.gz IUNBONOFOJWWON-IBGZPJMESA-N 2 0 386.584 3.331 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273418947 1434987678 /nfs/dbraw/zinc/98/76/78/1434987678.db2.gz KKWRSAUCMWYLLG-DXIQSLLYSA-N 2 0 386.584 3.269 20 0 GGADRP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000273515259 1434993923 /nfs/dbraw/zinc/99/39/23/1434993923.db2.gz XPKDXUZPSLIMLO-UHFFFAOYSA-N 2 0 393.940 3.145 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000273522632 1434994342 /nfs/dbraw/zinc/99/43/42/1434994342.db2.gz YZTFYEQQWSIMJR-LJQANCHMSA-N 2 0 386.584 3.065 20 0 GGADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@]12CCCO2 ZINC000273568869 1434997427 /nfs/dbraw/zinc/99/74/27/1434997427.db2.gz GGCVLNAAFAALMD-ZLNRFVROSA-N 2 0 387.568 3.033 20 0 GGADRP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000274095992 1435043248 /nfs/dbraw/zinc/04/32/48/1435043248.db2.gz OCYHLMPPVXDDJQ-UHFFFAOYSA-N 2 0 389.584 3.085 20 0 GGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000274118790 1435045135 /nfs/dbraw/zinc/04/51/35/1435045135.db2.gz MQMYSLRNMCVCNV-IBGZPJMESA-N 2 0 389.588 3.370 20 0 GGADRP COC(=O)CCC[NH+]1CCC(Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000274166221 1435048114 /nfs/dbraw/zinc/04/81/14/1435048114.db2.gz ANCJWLYYSUIBDJ-UHFFFAOYSA-N 2 0 391.581 3.065 20 0 GGADRP COC(=O)CCC[NH+]1CCC(Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000274189610 1435049971 /nfs/dbraw/zinc/04/99/71/1435049971.db2.gz HSHGRMOEMPPUOQ-UHFFFAOYSA-N 2 0 391.581 3.065 20 0 GGADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000274660349 1435083884 /nfs/dbraw/zinc/08/38/84/1435083884.db2.gz DSBGDTGPAPJVTR-HNNXBMFYSA-N 2 0 389.544 3.008 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784940 1435092280 /nfs/dbraw/zinc/09/22/80/1435092280.db2.gz AQUHYMPEIDBYHM-ANJVHQHFSA-N 2 0 396.531 3.129 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784948 1435092333 /nfs/dbraw/zinc/09/23/33/1435092333.db2.gz AQUHYMPEIDBYHM-XANCMCCPSA-N 2 0 396.531 3.129 20 0 GGADRP COC(=O)c1ccc(COc2ccc(C[NH2+]CCCC[NH+](C)C)cc2OC)o1 ZINC000274834640 1435096580 /nfs/dbraw/zinc/09/65/80/1435096580.db2.gz KLSUAMYFDIHUIJ-UHFFFAOYSA-N 2 0 390.480 3.085 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000274836539 1435096806 /nfs/dbraw/zinc/09/68/06/1435096806.db2.gz LDBXBGPSWPIQOW-UHFFFAOYSA-N 2 0 399.535 3.241 20 0 GGADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274854454 1435098131 /nfs/dbraw/zinc/09/81/31/1435098131.db2.gz RXDVFZRFYRWGEQ-UEVCKROQSA-N 2 0 398.547 3.073 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274892437 1435101653 /nfs/dbraw/zinc/10/16/53/1435101653.db2.gz JPHSBFPRKKCBMV-KNQAVFIVSA-N 2 0 395.547 3.154 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894724 1435101776 /nfs/dbraw/zinc/10/17/76/1435101776.db2.gz JZQIFEHTJSAMRW-UGKGYDQZSA-N 2 0 375.520 3.327 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927823 1435104076 /nfs/dbraw/zinc/10/40/76/1435104076.db2.gz QFMRSGQCVFQHMV-GEQKSPFYSA-N 2 0 384.520 3.237 20 0 GGADRP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000275399706 1435136706 /nfs/dbraw/zinc/13/67/06/1435136706.db2.gz CJSMYNBCYKSRNQ-VZWAGXQNSA-N 2 0 380.536 3.140 20 0 GGADRP C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275609178 1435152480 /nfs/dbraw/zinc/15/24/80/1435152480.db2.gz HZGPSYFMPFNRCS-UHFFFAOYSA-N 2 0 398.551 3.095 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)CC1 ZINC000275697432 1435160712 /nfs/dbraw/zinc/16/07/12/1435160712.db2.gz JFDTWLDIXMGUBJ-UHFFFAOYSA-N 2 0 399.558 3.061 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000275716917 1435162408 /nfs/dbraw/zinc/16/24/08/1435162408.db2.gz VKSXNZVBLPGPOM-UYAOXDASSA-N 2 0 390.572 3.049 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000275716912 1435162446 /nfs/dbraw/zinc/16/24/46/1435162446.db2.gz VKSXNZVBLPGPOM-ICSRJNTNSA-N 2 0 390.572 3.049 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000275716908 1435162512 /nfs/dbraw/zinc/16/25/12/1435162512.db2.gz VKSXNZVBLPGPOM-AZUAARDMSA-N 2 0 390.572 3.049 20 0 GGADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000275933142 1435180740 /nfs/dbraw/zinc/18/07/40/1435180740.db2.gz XQWQPYUTDLEWSN-QHCPKHFHSA-N 2 0 393.535 3.448 20 0 GGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000276373129 1435207647 /nfs/dbraw/zinc/20/76/47/1435207647.db2.gz BQMSMZISCNSCSN-LJQANCHMSA-N 2 0 389.588 3.370 20 0 GGADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000276373124 1435207650 /nfs/dbraw/zinc/20/76/50/1435207650.db2.gz BQMSMZISCNSCSN-IBGZPJMESA-N 2 0 389.588 3.370 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000276423416 1435210719 /nfs/dbraw/zinc/21/07/19/1435210719.db2.gz YYAQNKJDWMKHFQ-UHFFFAOYSA-N 2 0 394.560 3.221 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276600597 1435220064 /nfs/dbraw/zinc/22/00/64/1435220064.db2.gz KGFKUVSHBROSQZ-KRWDZBQOSA-N 2 0 383.561 3.078 20 0 GGADRP CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000276732889 1435228780 /nfs/dbraw/zinc/22/87/80/1435228780.db2.gz YQLBYWOWAQKFOA-UHFFFAOYSA-N 2 0 377.532 3.111 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000276737757 1435228967 /nfs/dbraw/zinc/22/89/67/1435228967.db2.gz AKWNZCPJFIKJIR-XLIONFOSSA-N 2 0 381.524 3.434 20 0 GGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276748084 1435229798 /nfs/dbraw/zinc/22/97/98/1435229798.db2.gz ZZPUXEBGGKZFKW-UHFFFAOYSA-N 2 0 395.572 3.484 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000276816044 1435234850 /nfs/dbraw/zinc/23/48/50/1435234850.db2.gz GDYDJBXCZAVWJC-GOSISDBHSA-N 2 0 387.572 3.028 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1O ZINC000276968384 1435248165 /nfs/dbraw/zinc/24/81/65/1435248165.db2.gz CMIXURSQFVQSLC-LAUBAEHRSA-N 2 0 384.520 3.078 20 0 GGADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1O ZINC000276968380 1435248187 /nfs/dbraw/zinc/24/81/87/1435248187.db2.gz CMIXURSQFVQSLC-DYESRHJHSA-N 2 0 384.520 3.078 20 0 GGADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000277032549 1435254153 /nfs/dbraw/zinc/25/41/53/1435254153.db2.gz FKSKHDDEQRLMQU-MDNUFGMLSA-N 2 0 391.563 3.336 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277145355 1435268428 /nfs/dbraw/zinc/26/84/28/1435268428.db2.gz PTRGMUPFNXWHGC-GOSISDBHSA-N 2 0 376.545 3.355 20 0 GGADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1O ZINC000277242878 1435284158 /nfs/dbraw/zinc/28/41/58/1435284158.db2.gz ONGRNKVIRAVWHA-FFZOFVMBSA-N 2 0 376.541 3.079 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000277364737 1435298970 /nfs/dbraw/zinc/29/89/70/1435298970.db2.gz UZOKOXUAUXVUAV-QUCCMNQESA-N 2 0 397.485 3.384 20 0 GGADRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OCc1cccnc1 ZINC000277646365 1435318737 /nfs/dbraw/zinc/31/87/37/1435318737.db2.gz DGZVMGWWCMUOSO-IBGZPJMESA-N 2 0 399.535 3.260 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278082095 1435357296 /nfs/dbraw/zinc/35/72/96/1435357296.db2.gz PEKPYXOYFZURCZ-WIYYLYMNSA-N 2 0 384.568 3.213 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278082064 1435357348 /nfs/dbraw/zinc/35/73/48/1435357348.db2.gz PEKPYXOYFZURCZ-NQIIRXRSSA-N 2 0 384.568 3.213 20 0 GGADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000278175295 1435366518 /nfs/dbraw/zinc/36/65/18/1435366518.db2.gz BELSLQKLEKILCC-UHFFFAOYSA-N 2 0 381.520 3.058 20 0 GGADRP c1coc(-c2ncc(C[NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)s2)c1 ZINC000278330004 1435380677 /nfs/dbraw/zinc/38/06/77/1435380677.db2.gz FTCMODHNTCYLRG-UHFFFAOYSA-N 2 0 383.521 3.100 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)CC1 ZINC000278343261 1435381901 /nfs/dbraw/zinc/38/19/01/1435381901.db2.gz XVCLFQSOXOEBOB-QHCPKHFHSA-N 2 0 380.536 3.277 20 0 GGADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363127 1435383967 /nfs/dbraw/zinc/38/39/67/1435383967.db2.gz BMDUAHMERJCHLX-MOPGFXCFSA-N 2 0 386.540 3.151 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371587 1435384881 /nfs/dbraw/zinc/38/48/81/1435384881.db2.gz BZGHCNPNMKHCLI-OALUTQOASA-N 2 0 386.540 3.092 20 0 GGADRP Cn1nccc1N1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278506206 1435395707 /nfs/dbraw/zinc/39/57/07/1435395707.db2.gz QXSGYZRRQOKWSR-YSFYHYPLSA-N 2 0 379.552 3.174 20 0 GGADRP Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000279315791 1435485529 /nfs/dbraw/zinc/48/55/29/1435485529.db2.gz OAWVRFLAQDHLFV-UHFFFAOYSA-N 2 0 384.568 3.338 20 0 GGADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000279552233 1435512262 /nfs/dbraw/zinc/51/22/62/1435512262.db2.gz BGIOVZAQABPQBA-ZWKOTPCHSA-N 2 0 398.551 3.132 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279862197 1435554380 /nfs/dbraw/zinc/55/43/80/1435554380.db2.gz MPNYQNKEGAYMQG-NIKGAXFTSA-N 2 0 379.907 3.215 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000279997040 1435574038 /nfs/dbraw/zinc/57/40/38/1435574038.db2.gz RNZKRYOTYAMBGE-HBFSDRIKSA-N 2 0 377.573 3.057 20 0 GGADRP CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000280272077 1435622575 /nfs/dbraw/zinc/62/25/75/1435622575.db2.gz CWQHCMXOEAGTLZ-NRFANRHFSA-N 2 0 391.581 3.065 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000280310641 1435632166 /nfs/dbraw/zinc/63/21/66/1435632166.db2.gz OSEKRDJXURBXAX-GJJHYRHESA-N 2 0 376.541 3.163 20 0 GGADRP Cc1ccc([C@@H]2CCN(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)C2)c(C)c1 ZINC000280570924 1435681474 /nfs/dbraw/zinc/68/14/74/1435681474.db2.gz CJPQWRZYXTWDOT-HXUWFJFHSA-N 2 0 398.595 3.361 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923690 1435742145 /nfs/dbraw/zinc/74/21/45/1435742145.db2.gz RFTQNJXVYLGTLR-PKTZIBPZSA-N 2 0 392.547 3.410 20 0 GGADRP Cc1noc(C2CCC([NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)CC2)n1 ZINC000280925406 1435742724 /nfs/dbraw/zinc/74/27/24/1435742724.db2.gz GPPINRJWLGIXKX-UHFFFAOYSA-N 2 0 384.524 3.151 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000280959373 1435748049 /nfs/dbraw/zinc/74/80/49/1435748049.db2.gz SFZFEFKKIAJUMS-FGTMMUONSA-N 2 0 376.541 3.286 20 0 GGADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280978992 1435750745 /nfs/dbraw/zinc/75/07/45/1435750745.db2.gz WACGZPCNDSEGFS-GOSISDBHSA-N 2 0 399.988 3.163 20 0 GGADRP Cc1noc(C2CCC([NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)CC2)n1 ZINC000281014502 1435756170 /nfs/dbraw/zinc/75/61/70/1435756170.db2.gz NVJXADJVPKNNJL-UHFFFAOYSA-N 2 0 384.524 3.151 20 0 GGADRP CC(C)n1nccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000281046682 1435762793 /nfs/dbraw/zinc/76/27/93/1435762793.db2.gz ZVTVQZGNJSESMK-UHFFFAOYSA-N 2 0 386.540 3.243 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000281136141 1435781778 /nfs/dbraw/zinc/78/17/78/1435781778.db2.gz FLPGLAWBKVKRNW-PZJWPPBQSA-N 2 0 379.552 3.353 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)C1 ZINC000281172531 1435788918 /nfs/dbraw/zinc/78/89/18/1435788918.db2.gz HYZKTSQETQFGID-KNQAVFIVSA-N 2 0 396.510 3.159 20 0 GGADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000281611025 1435815609 /nfs/dbraw/zinc/81/56/09/1435815609.db2.gz BFFJHSUGVAMFHP-IEBWSBKVSA-N 2 0 383.458 3.028 20 0 GGADRP COCCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1 ZINC000281960341 1435828627 /nfs/dbraw/zinc/82/86/27/1435828627.db2.gz MXVAJSKZFLOFTA-OAQYLSRUSA-N 2 0 386.515 3.230 20 0 GGADRP COCCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282016740 1435831228 /nfs/dbraw/zinc/83/12/28/1435831228.db2.gz RUUGHFGHBRUNGH-OAQYLSRUSA-N 2 0 386.515 3.230 20 0 GGADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000282149940 1435836485 /nfs/dbraw/zinc/83/64/85/1435836485.db2.gz LBWQBPHGTAXGJZ-OFNKIYASSA-N 2 0 390.568 3.471 20 0 GGADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000282149935 1435836576 /nfs/dbraw/zinc/83/65/76/1435836576.db2.gz LBWQBPHGTAXGJZ-NZQKXSOJSA-N 2 0 390.568 3.471 20 0 GGADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282473414 1435848554 /nfs/dbraw/zinc/84/85/54/1435848554.db2.gz WMBKNITVRKXIHT-LJQANCHMSA-N 2 0 375.516 3.382 20 0 GGADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000282589650 1435852756 /nfs/dbraw/zinc/85/27/56/1435852756.db2.gz GVRSIWQBQZWMJK-UHFFFAOYSA-N 2 0 376.508 3.285 20 0 GGADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282643115 1435854934 /nfs/dbraw/zinc/85/49/34/1435854934.db2.gz LICNNGDFIYHIOT-UHFFFAOYSA-N 2 0 381.568 3.044 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000282685101 1435856318 /nfs/dbraw/zinc/85/63/18/1435856318.db2.gz AIOGOUSWLBKMOP-FSSWDIPSSA-N 2 0 387.568 3.030 20 0 GGADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1=CC[NH+](C)CC1 ZINC000282703432 1435857011 /nfs/dbraw/zinc/85/70/11/1435857011.db2.gz JMGXBFCCQFVFIH-GHTZIAJQSA-N 2 0 384.568 3.237 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4cnn(C)c4)s3)CC2)CC1 ZINC000282704069 1435857109 /nfs/dbraw/zinc/85/71/09/1435857109.db2.gz AHSUXRFHMKVBTP-UHFFFAOYSA-N 2 0 387.597 3.139 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282825296 1435861878 /nfs/dbraw/zinc/86/18/78/1435861878.db2.gz JGVMXJCKXNWRSU-SFTDATJTSA-N 2 0 386.584 3.270 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000282994112 1435869432 /nfs/dbraw/zinc/86/94/32/1435869432.db2.gz FSQVKOLDUVOGOX-MLNNCEHLSA-N 2 0 386.536 3.136 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000282998262 1435869646 /nfs/dbraw/zinc/86/96/46/1435869646.db2.gz QWYVNRFNBRMGNW-NRSPTQNISA-N 2 0 386.584 3.269 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283098693 1435874366 /nfs/dbraw/zinc/87/43/66/1435874366.db2.gz ZQUPLZOCMSVFDS-NRFANRHFSA-N 2 0 386.584 3.459 20 0 GGADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2ccccc21 ZINC000283167089 1435877552 /nfs/dbraw/zinc/87/75/52/1435877552.db2.gz IXNXUQPMDIGDBX-FCHUYYIVSA-N 2 0 387.568 3.176 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2ccccc21 ZINC000283167093 1435877570 /nfs/dbraw/zinc/87/75/70/1435877570.db2.gz IXNXUQPMDIGDBX-FGZHOGPDSA-N 2 0 387.568 3.176 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000283248539 1435881146 /nfs/dbraw/zinc/88/11/46/1435881146.db2.gz JSPWOJNINZTCSZ-FIDNPTQWSA-N 3 0 386.628 3.149 20 0 GGADRP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC12CCOCC2 ZINC000283468539 1435891245 /nfs/dbraw/zinc/89/12/45/1435891245.db2.gz WAVSNMQABCCXSI-LHGONGGSSA-N 2 0 384.564 3.054 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489289 1435892303 /nfs/dbraw/zinc/89/23/03/1435892303.db2.gz XVSKQIJQVXAFSK-NHCUHLMSSA-N 2 0 397.519 3.293 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(C(=O)c4ccoc4)CC3)cc2)CC1 ZINC000283858985 1435938809 /nfs/dbraw/zinc/93/88/09/1435938809.db2.gz GEZSVPYHDCGLGY-UHFFFAOYSA-N 2 0 397.519 3.147 20 0 GGADRP COCCOc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283883828 1435944306 /nfs/dbraw/zinc/94/43/06/1435944306.db2.gz HFZLSEYJJOFPJJ-UHFFFAOYSA-N 2 0 384.520 3.475 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1-n1cncn1 ZINC000283989270 1435969177 /nfs/dbraw/zinc/96/91/77/1435969177.db2.gz LWTPJKCTVVXDBN-UHFFFAOYSA-N 2 0 391.519 3.339 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)cc12 ZINC000284040844 1435978804 /nfs/dbraw/zinc/97/88/04/1435978804.db2.gz OULHLDGRJQJTSB-UHFFFAOYSA-N 2 0 379.508 3.040 20 0 GGADRP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000284104625 1435990942 /nfs/dbraw/zinc/99/09/42/1435990942.db2.gz MSIQCXNVTXSKLY-NHTMILBNSA-N 2 0 383.580 3.226 20 0 GGADRP CCc1nn(C)c(Cl)c1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284115967 1435993507 /nfs/dbraw/zinc/99/35/07/1435993507.db2.gz SXLHQTOWVJJEOU-UHFFFAOYSA-N 2 0 376.932 3.399 20 0 GGADRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2cccnc2)n1 ZINC000284132608 1435996536 /nfs/dbraw/zinc/99/65/36/1435996536.db2.gz UNNWOHWGBVEFPL-UHFFFAOYSA-N 2 0 391.519 3.245 20 0 GGADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000284146876 1435999193 /nfs/dbraw/zinc/99/91/93/1435999193.db2.gz OZRFMGXDCATHKI-IBGZPJMESA-N 2 0 385.556 3.063 20 0 GGADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293453 1436010702 /nfs/dbraw/zinc/01/07/02/1436010702.db2.gz YDGVYGDMIBRDLZ-UYAOXDASSA-N 2 0 387.568 3.396 20 0 GGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H](n2cncn2)C1 ZINC000284338688 1436014226 /nfs/dbraw/zinc/01/42/26/1436014226.db2.gz XRCRGCFCQHVQKU-VOQZNFBZSA-N 2 0 383.540 3.271 20 0 GGADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H](n2cncn2)C1 ZINC000284338691 1436014254 /nfs/dbraw/zinc/01/42/54/1436014254.db2.gz XRCRGCFCQHVQKU-WTNAPCKOSA-N 2 0 383.540 3.271 20 0 GGADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H](n2cncn2)C1 ZINC000284338696 1436014271 /nfs/dbraw/zinc/01/42/71/1436014271.db2.gz XRCRGCFCQHVQKU-YHYVQYDKSA-N 2 0 383.540 3.271 20 0 GGADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2c(C)nc3c2CC[NH2+]CC3)n1 ZINC001164427539 718949391 /nfs/dbraw/zinc/94/93/91/718949391.db2.gz DRQCDUUNXZRYHD-UHFFFAOYSA-N 2 0 398.580 3.332 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2)CC1 ZINC001164619621 719048821 /nfs/dbraw/zinc/04/88/21/719048821.db2.gz CZBKUUWMIDMURJ-ISKFKSNPSA-N 3 0 392.547 3.138 20 0 GGADRP Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2c(n1)C[NH2+]CC2 ZINC001164629893 719093428 /nfs/dbraw/zinc/09/34/28/719093428.db2.gz UCNHHZGWWCFZSM-DYESRHJHSA-N 2 0 382.939 3.482 20 0 GGADRP Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2c(n1)C[NH2+]CC2 ZINC001164629895 719094437 /nfs/dbraw/zinc/09/44/37/719094437.db2.gz UCNHHZGWWCFZSM-LAUBAEHRSA-N 2 0 382.939 3.482 20 0 GGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164711053 720099223 /nfs/dbraw/zinc/09/92/23/720099223.db2.gz NPRWTUXWNQDJLU-FQEVSTJZSA-N 2 0 395.551 3.050 20 0 GGADRP CCOc1cc[nH+]c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164715569 720116361 /nfs/dbraw/zinc/11/63/61/720116361.db2.gz IAQILOUSFKOKRS-HXUWFJFHSA-N 2 0 396.535 3.383 20 0 GGADRP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164834286 720555825 /nfs/dbraw/zinc/55/58/25/720555825.db2.gz DGZCJYOUKGRDOO-IRFCIJBXSA-N 2 0 383.540 3.443 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@@H]2C ZINC001164857226 720999797 /nfs/dbraw/zinc/99/97/97/720999797.db2.gz DSSQXJRMYFAOQJ-GOSISDBHSA-N 2 0 382.556 3.295 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2)CC1 ZINC001164883210 721359066 /nfs/dbraw/zinc/35/90/66/721359066.db2.gz OEEMSHQGUKXAPZ-RBUKOAKNSA-N 2 0 398.532 3.000 20 0 GGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164790583 721450739 /nfs/dbraw/zinc/45/07/39/721450739.db2.gz ZUIWTSPKNQVOKF-NRFANRHFSA-N 2 0 387.568 3.432 20 0 GGADRP Cc1cc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH+]1 ZINC001164806723 721559744 /nfs/dbraw/zinc/55/97/44/721559744.db2.gz RFZJRMJEWNNNSS-QHAWAJNXSA-N 2 0 377.492 3.135 20 0 GGADRP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020424 721798246 /nfs/dbraw/zinc/79/82/46/721798246.db2.gz FRPKDGPQBVYFMU-SESVDKBCSA-N 2 0 394.567 3.373 20 0 GGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC001165038666 721912027 /nfs/dbraw/zinc/91/20/27/721912027.db2.gz NKAOGUAEMJXUAT-HXUWFJFHSA-N 2 0 376.504 3.386 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165045343 721939421 /nfs/dbraw/zinc/93/94/21/721939421.db2.gz ZGTBTMREZMRTIW-UHFFFAOYSA-N 2 0 384.902 3.435 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165054890 722020002 /nfs/dbraw/zinc/02/00/02/722020002.db2.gz IJYYYQDAWSVBSC-JOCHJYFZSA-N 2 0 379.552 3.388 20 0 GGADRP Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2c(n1)C[NH2+]CC2 ZINC001164955835 722021131 /nfs/dbraw/zinc/02/11/31/722021131.db2.gz OKENQAWSULPJGB-UHFFFAOYSA-N 2 0 397.954 3.268 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164968092 722077357 /nfs/dbraw/zinc/07/73/57/722077357.db2.gz QCAOAUMQXGRQKI-BHIFYINESA-N 2 0 384.568 3.318 20 0 GGADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164993764 722204994 /nfs/dbraw/zinc/20/49/94/722204994.db2.gz ASQOSEOMFTZEAI-HSZRJFAPSA-N 2 0 395.526 3.328 20 0 GGADRP Cc1cc2ccccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]1 ZINC001165001840 722254897 /nfs/dbraw/zinc/25/48/97/722254897.db2.gz GUULLYLEFISYQM-UHFFFAOYSA-N 2 0 379.508 3.228 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824530412 946767330 /nfs/dbraw/zinc/76/73/30/946767330.db2.gz KXBWNFPLIKVOSC-FIKGOQFSSA-N 2 0 376.508 3.428 20 0 GGADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825412120 947180635 /nfs/dbraw/zinc/18/06/35/947180635.db2.gz KZPZKVMEQZBKAS-UHFFFAOYSA-N 2 0 386.544 3.209 20 0 GGADRP C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001575508988 949107431 /nfs/dbraw/zinc/10/74/31/949107431.db2.gz AVHTWQKXHRVCSD-WTOYTKOKSA-N 2 0 388.519 3.382 20 0 GGADRP Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000188968263 1126077289 /nfs/dbraw/zinc/07/72/89/1126077289.db2.gz OWLFUDINKHLATD-QFIPXVFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000189005712 1126077607 /nfs/dbraw/zinc/07/76/07/1126077607.db2.gz PBYBKSQPXZNVAC-QFIPXVFZSA-N 2 0 381.564 3.219 20 0 GGADRP Cc1cccc(C[C@@H](CO)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000466910776 1126093844 /nfs/dbraw/zinc/09/38/44/1126093844.db2.gz YLSDEDFJCGMINR-IBGZPJMESA-N 2 0 387.955 3.093 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001177821588 1126150515 /nfs/dbraw/zinc/15/05/15/1126150515.db2.gz AEQAGOGBSJMXMG-UXHICEINSA-N 2 0 396.453 3.251 20 0 GGADRP Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC001656370876 1126257784 /nfs/dbraw/zinc/25/77/84/1126257784.db2.gz HOVFEPYQJXTFDN-QHCPKHFHSA-N 2 0 382.548 3.471 20 0 GGADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000058326814 222049367 /nfs/dbraw/zinc/04/93/67/222049367.db2.gz HQUNBMLYNZYJSQ-SFHVURJKSA-N 2 0 386.565 3.325 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190991839 565576399 /nfs/dbraw/zinc/57/63/99/565576399.db2.gz OPBDRFDPPCRORV-LLVKDONJSA-N 2 0 381.767 3.491 20 0 GGADRP CN(CCCn1ccnc1)Cc1ncc(Br)cc1Br ZINC000290559433 566177720 /nfs/dbraw/zinc/17/77/20/566177720.db2.gz SGGXPLLZHGDHMZ-UHFFFAOYSA-N 2 0 388.107 3.325 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000118868013 564247162 /nfs/dbraw/zinc/24/71/62/564247162.db2.gz RBYPXIPBONQRKF-UHFFFAOYSA-N 2 0 382.346 3.441 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119426066 564270331 /nfs/dbraw/zinc/27/03/31/564270331.db2.gz FVZNLLPLOJHXDD-ZIAGYGMSSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425710 564270425 /nfs/dbraw/zinc/27/04/25/564270425.db2.gz FVZNLLPLOJHXDD-KBPBESRZSA-N 2 0 380.330 3.240 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000120956652 564345263 /nfs/dbraw/zinc/34/52/63/564345263.db2.gz ZNCNUSWGVNZZJW-WMLDXEAASA-N 2 0 398.414 3.459 20 0 GGADRP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)CN1CC[NH+](C)CC1 ZINC000121015679 564348191 /nfs/dbraw/zinc/34/81/91/564348191.db2.gz SGIFOUCADFNLCK-KGLIPLIRSA-N 2 0 375.891 3.476 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000121106684 564353248 /nfs/dbraw/zinc/35/32/48/564353248.db2.gz XLPKPXVWUXDAPS-HOTGVXAUSA-N 2 0 398.389 3.382 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000121106990 564353359 /nfs/dbraw/zinc/35/33/59/564353359.db2.gz XLPKPXVWUXDAPS-JKSUJKDBSA-N 2 0 398.389 3.382 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000121149265 564355972 /nfs/dbraw/zinc/35/59/72/564355972.db2.gz WSGIPBJGPFHCNW-AUUYWEPGSA-N 2 0 398.364 3.439 20 0 GGADRP Cc1cc(Br)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000124377646 564480360 /nfs/dbraw/zinc/48/03/60/564480360.db2.gz OIEVYPAQHUEQIS-UHFFFAOYSA-N 2 0 384.362 3.103 20 0 GGADRP COCCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000127484489 564585360 /nfs/dbraw/zinc/58/53/60/564585360.db2.gz JSTBZHAOFXTIJT-LPHOPBHVSA-N 2 0 398.389 3.142 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000128348162 564615508 /nfs/dbraw/zinc/61/55/08/564615508.db2.gz INHXUSCQNMPMDN-GOSISDBHSA-N 2 0 396.373 3.280 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134315988 564800220 /nfs/dbraw/zinc/80/02/20/564800220.db2.gz OWTAZETXZCIDNV-QGZVFWFLSA-N 2 0 384.337 3.193 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134317354 564800447 /nfs/dbraw/zinc/80/04/47/564800447.db2.gz XCYULDIKTKNHBX-GUYCJALGSA-N 2 0 384.337 3.191 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)CN1CC[NH+](C)CC1 ZINC000134378746 564801013 /nfs/dbraw/zinc/80/10/13/564801013.db2.gz SCNJQQVCPOXQHF-CXAGYDPISA-N 2 0 384.337 3.049 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)CN1CC[NH+](C)CC1 ZINC000134378724 564801107 /nfs/dbraw/zinc/80/11/07/564801107.db2.gz SCNJQQVCPOXQHF-SUMWQHHRSA-N 2 0 384.337 3.049 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000134388750 564802810 /nfs/dbraw/zinc/80/28/10/564802810.db2.gz NQYTXODCFUWKOU-PXAZEXFGSA-N 2 0 386.765 3.315 20 0 GGADRP Brc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000071939936 564858898 /nfs/dbraw/zinc/85/88/98/564858898.db2.gz IGRSGDCGYOTRPI-CYBMUJFWSA-N 2 0 381.314 3.184 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000077835960 564863191 /nfs/dbraw/zinc/86/31/91/564863191.db2.gz LPYJMILSBCEPCS-CYBMUJFWSA-N 2 0 375.344 3.189 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Br)CC[C@@H]21 ZINC000139914972 564869922 /nfs/dbraw/zinc/86/99/22/564869922.db2.gz FWAZLEPUTIDJEE-PBHICJAKSA-N 2 0 380.330 3.194 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000150954891 564898973 /nfs/dbraw/zinc/89/89/73/564898973.db2.gz VATRAFNCEAPTQS-SFHVURJKSA-N 2 0 384.337 3.191 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000150968001 564900061 /nfs/dbraw/zinc/90/00/61/564900061.db2.gz KLUSPHMTXQATOZ-SFHVURJKSA-N 2 0 396.373 3.278 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000150998315 564901033 /nfs/dbraw/zinc/90/10/33/564901033.db2.gz JKOKFRLZXQWKLV-KRWDZBQOSA-N 2 0 383.330 3.171 20 0 GGADRP Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1Br ZINC000533885189 564975022 /nfs/dbraw/zinc/97/50/22/564975022.db2.gz YWZCFKKZDIVVDX-UHFFFAOYSA-N 2 0 390.329 3.172 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154260109 565031723 /nfs/dbraw/zinc/03/17/23/565031723.db2.gz XVQHVZURZSEPPX-SFHVURJKSA-N 2 0 396.373 3.280 20 0 GGADRP C[NH+](C)C[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278401 565032738 /nfs/dbraw/zinc/03/27/38/565032738.db2.gz JVQMWLHSEXRDFN-CQSZACIVSA-N 2 0 375.314 3.290 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154354495 565034782 /nfs/dbraw/zinc/03/47/82/565034782.db2.gz PTABKCBERZOTNU-SFHVURJKSA-N 2 0 384.337 3.193 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Br ZINC000154337442 565035396 /nfs/dbraw/zinc/03/53/96/565035396.db2.gz FNRFEGNAXHLMEA-OAHLLOKOSA-N 2 0 384.362 3.136 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591360 565069484 /nfs/dbraw/zinc/06/94/84/565069484.db2.gz MULYXGGIHPTOHC-SCLBCKFNSA-N 2 0 384.337 3.191 20 0 GGADRP O=C(NCCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000156393318 565084754 /nfs/dbraw/zinc/08/47/54/565084754.db2.gz HLHJNSURJLXERE-UHFFFAOYSA-N 2 0 394.357 3.033 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000183765560 565093892 /nfs/dbraw/zinc/09/38/92/565093892.db2.gz AMPVYTHXDOVZCJ-IBGZPJMESA-N 2 0 390.325 3.091 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000268424919 565150575 /nfs/dbraw/zinc/15/05/75/565150575.db2.gz MXGKEUWBURWOFJ-UHFFFAOYSA-N 2 0 395.341 3.050 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000370624082 565153056 /nfs/dbraw/zinc/15/30/56/565153056.db2.gz GUPWGZWUOQYATA-GDBMZVCRSA-N 2 0 396.373 3.277 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000370624085 565153262 /nfs/dbraw/zinc/15/32/62/565153262.db2.gz GUPWGZWUOQYATA-ZBFHGGJFSA-N 2 0 396.373 3.277 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000370624084 565153368 /nfs/dbraw/zinc/15/33/68/565153368.db2.gz GUPWGZWUOQYATA-HOCLYGCPSA-N 2 0 396.373 3.277 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1F ZINC000370635241 565153396 /nfs/dbraw/zinc/15/33/96/565153396.db2.gz OJWYJOQIXWPYAI-DZGCQCFKSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1F ZINC000370684702 565155744 /nfs/dbraw/zinc/15/57/44/565155744.db2.gz RKROGSCQRTWKSZ-HIFRSBDPSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1F ZINC000370684703 565155796 /nfs/dbraw/zinc/15/57/96/565155796.db2.gz RKROGSCQRTWKSZ-UKRRQHHQSA-N 2 0 384.337 3.407 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1F ZINC000370684701 565155822 /nfs/dbraw/zinc/15/58/22/565155822.db2.gz RKROGSCQRTWKSZ-DZGCQCFKSA-N 2 0 384.337 3.407 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158860029 565184275 /nfs/dbraw/zinc/18/42/75/565184275.db2.gz SXMLGPCKBIIEJE-CJNGLKHVSA-N 2 0 381.314 3.136 20 0 GGADRP C[C@H]1CN(Cc2cc(F)cc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305615 565185416 /nfs/dbraw/zinc/18/54/16/565185416.db2.gz ZMISYYZIIWHZPP-KBXCAEBGSA-N 2 0 384.337 3.046 20 0 GGADRP COc1ccc(Br)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301423 565186057 /nfs/dbraw/zinc/18/60/57/565186057.db2.gz UIELDPSEKMNWJL-JFIYKMOQSA-N 2 0 383.330 3.141 20 0 GGADRP COc1ccc(Br)c(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371333108 565187761 /nfs/dbraw/zinc/18/77/61/565187761.db2.gz CKLJFRJCLYRFFZ-QGZVFWFLSA-N 2 0 396.373 3.058 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371437062 565193694 /nfs/dbraw/zinc/19/36/94/565193694.db2.gz ARODPEXNZIBZQB-KBRIMQKVSA-N 2 0 380.330 3.383 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000271500620 565256041 /nfs/dbraw/zinc/25/60/41/565256041.db2.gz LUJCCCUUGSKRAG-KKXDTOCCSA-N 2 0 397.357 3.486 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000186564561 565268524 /nfs/dbraw/zinc/26/85/24/565268524.db2.gz JQYNHXVDXVHIEW-DYVFJYSZSA-N 2 0 384.337 3.191 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271842432 565269763 /nfs/dbraw/zinc/26/97/63/565269763.db2.gz RCWDRKXSUOKZTN-UHFFFAOYSA-N 2 0 383.330 3.216 20 0 GGADRP CN1CC[NH+](CC2(C)CCN(Cc3csc(Br)c3)CC2)CC1 ZINC000373254095 565276344 /nfs/dbraw/zinc/27/63/44/565276344.db2.gz DEXZVWYLEZBEHT-UHFFFAOYSA-N 2 0 386.403 3.360 20 0 GGADRP C[C@H](C[NH+](C)CCOCC[N@@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000273090919 565306769 /nfs/dbraw/zinc/30/67/69/565306769.db2.gz SOTKZVPYJRYUNS-HZPDHXFCSA-N 2 0 382.599 3.387 20 0 GGADRP C[C@@H](C[NH+](C)CCOCC[N@@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273090917 565306986 /nfs/dbraw/zinc/30/69/86/565306986.db2.gz SOTKZVPYJRYUNS-HOTGVXAUSA-N 2 0 382.599 3.387 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000162157068 565307858 /nfs/dbraw/zinc/30/78/58/565307858.db2.gz ZGEXFCJLSJTZQM-PBHICJAKSA-N 2 0 387.387 3.491 20 0 GGADRP COCCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000162516191 565319813 /nfs/dbraw/zinc/31/98/13/565319813.db2.gz LPPQZCKXKMYWIT-IBGZPJMESA-N 2 0 398.389 3.144 20 0 GGADRP COCCC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000297355382 565369146 /nfs/dbraw/zinc/36/91/46/565369146.db2.gz PJGLJSKXTDDSAO-RTBURBONSA-N 2 0 399.373 3.353 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000166041554 565373793 /nfs/dbraw/zinc/37/37/93/565373793.db2.gz GSBIURHWXRYEBF-CZUORRHYSA-N 2 0 390.309 3.299 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000274671798 565377434 /nfs/dbraw/zinc/37/74/34/565377434.db2.gz YCCVCISVLIMSMX-SCLBCKFNSA-N 2 0 384.337 3.191 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000188115112 565380276 /nfs/dbraw/zinc/38/02/76/565380276.db2.gz VWXYPLAZHQNBFA-APWZRJJASA-N 2 0 382.390 3.242 20 0 GGADRP C[NH+]1CCC(CC[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000168620062 565381230 /nfs/dbraw/zinc/38/12/30/565381230.db2.gz LFUWQPASUZEEMQ-UHFFFAOYSA-N 2 0 391.151 3.428 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121594 565381406 /nfs/dbraw/zinc/38/14/06/565381406.db2.gz QYTZBCROQTUWNM-KRWDZBQOSA-N 2 0 382.390 3.387 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cc(Cl)sc1Cl ZINC000168918306 565381844 /nfs/dbraw/zinc/38/18/44/565381844.db2.gz MMNJDZXLCHPXPG-CYBMUJFWSA-N 2 0 380.385 3.096 20 0 GGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188210483 565388064 /nfs/dbraw/zinc/38/80/64/565388064.db2.gz CSTARUIJFAJDCQ-RDJZCZTQSA-N 2 0 381.358 3.471 20 0 GGADRP C[N@H+](CCC(=O)Nc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000298540756 565418780 /nfs/dbraw/zinc/41/87/80/565418780.db2.gz NBCDTKZNXWMNDH-YIONKMFJSA-N 2 0 380.330 3.335 20 0 GGADRP CC[NH+](CC)CCSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000172722182 565501435 /nfs/dbraw/zinc/50/14/35/565501435.db2.gz UBMZHRJMXCXVFD-UHFFFAOYSA-N 2 0 381.611 3.249 20 0 GGADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000377920988 565505757 /nfs/dbraw/zinc/50/57/57/565505757.db2.gz WXGRTKCCJKQFSI-GOSISDBHSA-N 2 0 386.367 3.473 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncc(I)s1 ZINC000385126869 565545180 /nfs/dbraw/zinc/54/51/80/565545180.db2.gz UAKIMXQXLCRYKN-LLVKDONJSA-N 2 0 381.327 3.348 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190759496 565556243 /nfs/dbraw/zinc/55/62/43/565556243.db2.gz UAJBEWAPCCCMIT-UHFFFAOYSA-N 2 0 380.783 3.281 20 0 GGADRP CC(C)[C@H](C[NH2+][C@H]1CCc2sc(Br)cc21)N1CC[NH+](C)CC1 ZINC000390549420 565557267 /nfs/dbraw/zinc/55/72/67/565557267.db2.gz PCJARMIXBQGRKP-GJZGRUSLSA-N 2 0 386.403 3.360 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190991855 565575913 /nfs/dbraw/zinc/57/59/13/565575913.db2.gz OPBDRFDPPCRORV-NSHDSACASA-N 2 0 381.767 3.491 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Br ZINC000319764528 565599484 /nfs/dbraw/zinc/59/94/84/565599484.db2.gz WJVPPUYKMAQFMH-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1Br ZINC000319764530 565599875 /nfs/dbraw/zinc/59/98/75/565599875.db2.gz WJVPPUYKMAQFMH-CQSZACIVSA-N 2 0 384.362 3.134 20 0 GGADRP COCC[N@H+](C)CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191494952 565607715 /nfs/dbraw/zinc/60/77/15/565607715.db2.gz VEIWUVZIUYNYND-IBGZPJMESA-N 2 0 399.373 3.475 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000324205619 565616179 /nfs/dbraw/zinc/61/61/79/565616179.db2.gz OBZARAPGKYPISG-QGZVFWFLSA-N 2 0 396.373 3.278 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696330 565621818 /nfs/dbraw/zinc/62/18/18/565621818.db2.gz KABATYGYVOBGPQ-MRXNPFEDSA-N 2 0 396.373 3.059 20 0 GGADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174956790 565670036 /nfs/dbraw/zinc/67/00/36/565670036.db2.gz HZALUTDGUFYUJO-OAHLLOKOSA-N 2 0 382.346 3.441 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000192719913 565707691 /nfs/dbraw/zinc/70/76/91/565707691.db2.gz FEBRZILCUBSLQW-UHFFFAOYSA-N 2 0 398.389 3.176 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000411453823 565731380 /nfs/dbraw/zinc/73/13/80/565731380.db2.gz JYDORTRTFKXNAA-UHFFFAOYSA-N 2 0 394.357 3.017 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000176275200 565762341 /nfs/dbraw/zinc/76/23/41/565762341.db2.gz IOMNVVMVBAVMOJ-HNNXBMFYSA-N 2 0 382.346 3.441 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193972712 565786780 /nfs/dbraw/zinc/78/67/80/565786780.db2.gz HSRCRZLAVATXGV-DMKPSLHHSA-N 2 0 380.374 3.311 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974413 565787083 /nfs/dbraw/zinc/78/70/83/565787083.db2.gz CWIDICNOLAIQGF-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193981518 565787397 /nfs/dbraw/zinc/78/73/97/565787397.db2.gz AYBHACCBYOMINP-BEFAXECRSA-N 2 0 380.374 3.300 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000176704320 565796230 /nfs/dbraw/zinc/79/62/30/565796230.db2.gz DBXULCIQCYFVJN-INIZCTEOSA-N 2 0 380.583 3.186 20 0 GGADRP C[NH+](C)C1CCN(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000176989943 565820593 /nfs/dbraw/zinc/82/05/93/565820593.db2.gz RQUUFEWFYVYAMZ-UHFFFAOYSA-N 2 0 384.351 3.385 20 0 GGADRP CC[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](C)C ZINC000413826414 565877051 /nfs/dbraw/zinc/87/70/51/565877051.db2.gz QLBPHCMJQSNHHU-GOSISDBHSA-N 2 0 396.373 3.212 20 0 GGADRP O=C1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333348169 565878565 /nfs/dbraw/zinc/87/85/65/565878565.db2.gz ZSSMHEMKZKGMBE-MDZRGWNJSA-N 2 0 379.957 3.113 20 0 GGADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203427 565893436 /nfs/dbraw/zinc/89/34/36/565893436.db2.gz SWEHYJLVOABNHR-TZUVLKIQSA-N 2 0 394.357 3.183 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414170356 565900827 /nfs/dbraw/zinc/90/08/27/565900827.db2.gz BYNFMUKSACAMEK-ACXGAUJLSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414170360 565900870 /nfs/dbraw/zinc/90/08/70/565900870.db2.gz BYNFMUKSACAMEK-HOPMXRPOSA-N 2 0 387.337 3.058 20 0 GGADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414182569 565901599 /nfs/dbraw/zinc/90/15/99/565901599.db2.gz MVTLQBGUQKSODF-RYUDHWBXSA-N 2 0 394.368 3.023 20 0 GGADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414182568 565901720 /nfs/dbraw/zinc/90/17/20/565901720.db2.gz MVTLQBGUQKSODF-NWDGAFQWSA-N 2 0 394.368 3.023 20 0 GGADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414182567 565901766 /nfs/dbraw/zinc/90/17/66/565901766.db2.gz MVTLQBGUQKSODF-NEPJUHHUSA-N 2 0 394.368 3.023 20 0 GGADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414182570 565901854 /nfs/dbraw/zinc/90/18/54/565901854.db2.gz MVTLQBGUQKSODF-VXGBXAGGSA-N 2 0 394.368 3.023 20 0 GGADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414753973 565959080 /nfs/dbraw/zinc/95/90/80/565959080.db2.gz XCDVQPJRYYURGS-CABCVRRESA-N 2 0 394.357 3.488 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414857086 565963992 /nfs/dbraw/zinc/96/39/92/565963992.db2.gz OUXIVDTVSUVJNB-HZPDHXFCSA-N 2 0 380.374 3.391 20 0 GGADRP Brc1ccccc1CN1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414850116 565964236 /nfs/dbraw/zinc/96/42/36/565964236.db2.gz YTPLPPMQHGUUPO-MRXNPFEDSA-N 2 0 380.374 3.393 20 0 GGADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC(F)F ZINC000414924751 565965185 /nfs/dbraw/zinc/96/51/85/565965185.db2.gz KOIFJEQKGAGYHV-QWRGUYRKSA-N 2 0 379.245 3.419 20 0 GGADRP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929743 565965673 /nfs/dbraw/zinc/96/56/73/565965673.db2.gz RZBCDJDSNPILPQ-GJZGRUSLSA-N 2 0 399.329 3.059 20 0 GGADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414974655 565966585 /nfs/dbraw/zinc/96/65/85/565966585.db2.gz NUBJAEOHNQWOJJ-ZDUSSCGKSA-N 2 0 389.771 3.285 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414948823 565966836 /nfs/dbraw/zinc/96/68/36/565966836.db2.gz MOFIUWGDQIVYJU-YOEHRIQHSA-N 2 0 394.357 3.092 20 0 GGADRP COCC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]CC1 ZINC000414967649 565967358 /nfs/dbraw/zinc/96/73/58/565967358.db2.gz DBZVBHFMMQKSMX-UHFFFAOYSA-N 2 0 393.272 3.156 20 0 GGADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414972008 565967422 /nfs/dbraw/zinc/96/74/22/565967422.db2.gz JGPLQRKLWRJTEW-CYBMUJFWSA-N 2 0 389.771 3.285 20 0 GGADRP FC(F)(F)c1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000414990779 565968358 /nfs/dbraw/zinc/96/83/58/565968358.db2.gz RTVXAFNXAQUARB-CYBMUJFWSA-N 2 0 389.771 3.285 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414993054 565968476 /nfs/dbraw/zinc/96/84/76/565968476.db2.gz KZPZGKANUOUZEV-PBHICJAKSA-N 2 0 385.346 3.472 20 0 GGADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cncc(Br)c2)cc1 ZINC000414999499 565969467 /nfs/dbraw/zinc/96/94/67/565969467.db2.gz JDRIQSYTLPKXLX-QAPCUYQASA-N 2 0 378.289 3.466 20 0 GGADRP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415028645 565970504 /nfs/dbraw/zinc/97/05/04/565970504.db2.gz CWBVHFCLEHTBJQ-JOYOIKCWSA-N 2 0 392.135 3.437 20 0 GGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000415021059 565970777 /nfs/dbraw/zinc/97/07/77/565970777.db2.gz HBGSMMMVFGRBAG-WKILWMFISA-N 2 0 396.373 3.140 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000415020107 565970803 /nfs/dbraw/zinc/97/08/03/565970803.db2.gz JDYINGAOGVOEHS-CQSZACIVSA-N 2 0 382.346 3.079 20 0 GGADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000415022318 565970917 /nfs/dbraw/zinc/97/09/17/565970917.db2.gz JAESYXCDCFQIEB-SHTZXODSSA-N 2 0 377.330 3.490 20 0 GGADRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415112489 565974296 /nfs/dbraw/zinc/97/42/96/565974296.db2.gz SGOGUJIXOAJNQL-MSOLQXFVSA-N 2 0 383.330 3.176 20 0 GGADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031725 565974986 /nfs/dbraw/zinc/97/49/86/565974986.db2.gz DOXRHNXGPDAQMP-HUUCEWRRSA-N 2 0 396.373 3.277 20 0 GGADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000415131594 565975567 /nfs/dbraw/zinc/97/55/67/565975567.db2.gz ZRUWVIHVJGEYOW-ROUUACIJSA-N 2 0 395.341 3.102 20 0 GGADRP COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130996 565975819 /nfs/dbraw/zinc/97/58/19/565975819.db2.gz RQJQDVUWNYUKOW-ZYHUDNBSSA-N 2 0 393.272 3.476 20 0 GGADRP CCOCCOc1ccc(Br)cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415135433 565976413 /nfs/dbraw/zinc/97/64/13/565976413.db2.gz WRKZMYAYBDOQHM-HOCLYGCPSA-N 2 0 385.346 3.281 20 0 GGADRP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)CC1CC[NH+](C)CC1 ZINC000179447848 565981014 /nfs/dbraw/zinc/98/10/14/565981014.db2.gz ISYXUUGNCORLAS-UHFFFAOYSA-N 2 0 377.330 3.408 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000245550391 565996023 /nfs/dbraw/zinc/99/60/23/565996023.db2.gz HQGANOXLTQRRKS-GUYCJALGSA-N 2 0 385.321 3.402 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000245770640 566006814 /nfs/dbraw/zinc/00/68/14/566006814.db2.gz RSQYZQCFIDXMBV-LPHOPBHVSA-N 2 0 380.374 3.264 20 0 GGADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000363927170 566027031 /nfs/dbraw/zinc/02/70/31/566027031.db2.gz NTCCKLYISNQMIR-OAHLLOKOSA-N 2 0 396.373 3.292 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000246954013 566047254 /nfs/dbraw/zinc/04/72/54/566047254.db2.gz INHXUSCQNMPMDN-SFHVURJKSA-N 2 0 396.373 3.280 20 0 GGADRP COc1cc(Br)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247922488 566068394 /nfs/dbraw/zinc/06/83/94/566068394.db2.gz BIFKXCNFXSVJIB-XJKSGUPXSA-N 2 0 383.330 3.382 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000248002008 566071276 /nfs/dbraw/zinc/07/12/76/566071276.db2.gz KMJBFJMQNLCUHS-WMZOPIPTSA-N 2 0 397.357 3.489 20 0 GGADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365096897 566082704 /nfs/dbraw/zinc/08/27/04/566082704.db2.gz WZMGISIOKFSSLE-YJBOKZPZSA-N 2 0 380.374 3.138 20 0 GGADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365096712 566082783 /nfs/dbraw/zinc/08/27/83/566082783.db2.gz WZMGISIOKFSSLE-CRAIPNDOSA-N 2 0 380.374 3.138 20 0 GGADRP C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620011 566083668 /nfs/dbraw/zinc/08/36/68/566083668.db2.gz ZYFDXMKHLRDCOG-DHSIGJKJSA-N 2 0 394.357 3.218 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180829061 566092644 /nfs/dbraw/zinc/09/26/44/566092644.db2.gz YYYZJLBSGQDHLL-HZPDHXFCSA-N 2 0 380.330 3.303 20 0 GGADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829188 566093315 /nfs/dbraw/zinc/09/33/15/566093315.db2.gz MIDNOJQOAQNVNZ-GDBMZVCRSA-N 2 0 382.346 3.406 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829908 566093435 /nfs/dbraw/zinc/09/34/35/566093435.db2.gz QRMGUPHIGVOTFX-DZKIICNBSA-N 2 0 382.346 3.404 20 0 GGADRP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261601937 566124757 /nfs/dbraw/zinc/12/47/57/566124757.db2.gz BOMLNRNILHQMDJ-KBXCAEBGSA-N 2 0 394.357 3.090 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000261601938 566125093 /nfs/dbraw/zinc/12/50/93/566125093.db2.gz BOMLNRNILHQMDJ-KDOFPFPSSA-N 2 0 394.357 3.090 20 0 GGADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261670537 566128097 /nfs/dbraw/zinc/12/80/97/566128097.db2.gz FZYWQJKGYUHJMQ-LJQANCHMSA-N 2 0 390.325 3.001 20 0 GGADRP CCCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000261690195 566129420 /nfs/dbraw/zinc/12/94/20/566129420.db2.gz IXZOTWVZCMOOCC-CQSZACIVSA-N 2 0 382.346 3.090 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000289662223 566134242 /nfs/dbraw/zinc/13/42/42/566134242.db2.gz IJCUHEIFGSCOSP-ZNOIYHFQSA-N 2 0 399.348 3.487 20 0 GGADRP CC[NH+](CC)CC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261833261 566136645 /nfs/dbraw/zinc/13/66/45/566136645.db2.gz UITREKABHRIWBG-LJQANCHMSA-N 2 0 396.373 3.203 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000261817862 566136801 /nfs/dbraw/zinc/13/68/01/566136801.db2.gz SLLLFBXSVLSULD-DOTOQJQBSA-N 2 0 396.354 3.104 20 0 GGADRP COc1cc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261844217 566137424 /nfs/dbraw/zinc/13/74/24/566137424.db2.gz YYMRXPXALMWTKY-MRXNPFEDSA-N 2 0 383.330 3.430 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261845754 566137593 /nfs/dbraw/zinc/13/75/93/566137593.db2.gz LYGFQDRQVTXANR-MAUKXSAKSA-N 2 0 381.973 3.012 20 0 GGADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261864141 566137774 /nfs/dbraw/zinc/13/77/74/566137774.db2.gz XDJLEGYRIQIZOB-IBGZPJMESA-N 2 0 390.325 3.001 20 0 GGADRP COc1cc(Br)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000261844214 566138177 /nfs/dbraw/zinc/13/81/77/566138177.db2.gz YYMRXPXALMWTKY-INIZCTEOSA-N 2 0 383.330 3.430 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000181461225 566141960 /nfs/dbraw/zinc/14/19/60/566141960.db2.gz JQAVBEITQNWPGK-HNAYVOBHSA-N 2 0 398.389 3.380 20 0 GGADRP COCCC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246167 566142585 /nfs/dbraw/zinc/14/25/85/566142585.db2.gz VYBDORREBVDFKH-FHWLQOOXSA-N 2 0 397.357 3.370 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181500036 566144250 /nfs/dbraw/zinc/14/42/50/566144250.db2.gz OYPGZGATMFFQDG-CABCVRRESA-N 2 0 384.362 3.134 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262148323 566147308 /nfs/dbraw/zinc/14/73/08/566147308.db2.gz ZRTTWJABSAHCKN-IBGZPJMESA-N 2 0 389.341 3.437 20 0 GGADRP C[NH2+]CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000262343658 566150946 /nfs/dbraw/zinc/15/09/46/566150946.db2.gz IFLKDGYPJCUXEZ-QGZVFWFLSA-N 2 0 377.941 3.227 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(Br)c1 ZINC000181696939 566159898 /nfs/dbraw/zinc/15/98/98/566159898.db2.gz GXCPCGMZCOBLRX-HNNXBMFYSA-N 2 0 398.389 3.382 20 0 GGADRP C[N@H+](CCCn1ccnc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000290420029 566171261 /nfs/dbraw/zinc/17/12/61/566171261.db2.gz KQXONVHRFNEXNS-UHFFFAOYSA-N 2 0 393.329 3.004 20 0 GGADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417833810 566176728 /nfs/dbraw/zinc/17/67/28/566176728.db2.gz MIDVYJIYZDZHDT-HKUYNNGSSA-N 2 0 390.325 3.002 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)nc1 ZINC000290762089 566187407 /nfs/dbraw/zinc/18/74/07/566187407.db2.gz RNYICHYHICPKRY-CYBMUJFWSA-N 2 0 379.302 3.030 20 0 GGADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)nc1 ZINC000290762092 566187560 /nfs/dbraw/zinc/18/75/60/566187560.db2.gz RNYICHYHICPKRY-ZDUSSCGKSA-N 2 0 379.302 3.030 20 0 GGADRP CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186121 566202365 /nfs/dbraw/zinc/20/23/65/566202365.db2.gz RNYMVCJLOFQEMX-LSDHHAIUSA-N 2 0 376.879 3.005 20 0 GGADRP CC[NH2+]CCNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418315698 566209408 /nfs/dbraw/zinc/20/94/08/566209408.db2.gz IHAMQMFTLBZZKD-UHFFFAOYSA-N 2 0 375.344 3.066 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393587 566211359 /nfs/dbraw/zinc/21/13/59/566211359.db2.gz FFDVOCAYUWDZEU-QGZVFWFLSA-N 2 0 387.355 3.194 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(C)(C)[NH3+] ZINC000418409898 566211984 /nfs/dbraw/zinc/21/19/84/566211984.db2.gz AUMHSGCMCZHQLA-UHFFFAOYSA-N 2 0 375.344 3.194 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500525 566214156 /nfs/dbraw/zinc/21/41/56/566214156.db2.gz PYPZVOKJWQOWCQ-KRWDZBQOSA-N 2 0 387.355 3.194 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH3+] ZINC000418505269 566214234 /nfs/dbraw/zinc/21/42/34/566214234.db2.gz CPUQDZDMTZWWPD-UHFFFAOYSA-N 2 0 375.344 3.196 20 0 GGADRP C[C@H](C[NH3+])CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418472664 566214488 /nfs/dbraw/zinc/21/44/88/566214488.db2.gz NQERVDMLRHOLRY-CQSZACIVSA-N 2 0 387.355 3.196 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1([NH3+])CCC1 ZINC000418532349 566215498 /nfs/dbraw/zinc/21/54/98/566215498.db2.gz ZEVQBCBXYXJDCP-UHFFFAOYSA-N 2 0 387.355 3.338 20 0 GGADRP C[C@H](CCCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000418690103 566219279 /nfs/dbraw/zinc/21/92/79/566219279.db2.gz GMYQRIYZZDADMN-OAHLLOKOSA-N 2 0 399.377 3.040 20 0 GGADRP CC[C@@H]([NH3+])CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000418740251 566221859 /nfs/dbraw/zinc/22/18/59/566221859.db2.gz ZNGMFQQDRNUFLJ-CQSZACIVSA-N 2 0 375.344 3.194 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575124177 566252751 /nfs/dbraw/zinc/25/27/51/566252751.db2.gz RJVBWHWMHNRGMY-CABCVRRESA-N 2 0 380.330 3.018 20 0 GGADRP CC1(C)CC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000555889173 566258639 /nfs/dbraw/zinc/25/86/39/566258639.db2.gz KJNDPNRIJJRKNE-OAHLLOKOSA-N 2 0 385.346 3.088 20 0 GGADRP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420304496 566271116 /nfs/dbraw/zinc/27/11/16/566271116.db2.gz OPPGTFRPORLFPD-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420306024 566271713 /nfs/dbraw/zinc/27/17/13/566271713.db2.gz QJOTWOZCYUMUOQ-CQSZACIVSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310985 566273727 /nfs/dbraw/zinc/27/37/27/566273727.db2.gz VPQNYUVMIGVFDW-HNNXBMFYSA-N 2 0 394.357 3.489 20 0 GGADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420371803 566273914 /nfs/dbraw/zinc/27/39/14/566273914.db2.gz DOCAJOJHSJHNTA-WMZOPIPTSA-N 2 0 383.330 3.046 20 0 GGADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000420342535 566274311 /nfs/dbraw/zinc/27/43/11/566274311.db2.gz PNLUTKNDQPTWDJ-INIZCTEOSA-N 2 0 398.320 3.381 20 0 GGADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000420372305 566274557 /nfs/dbraw/zinc/27/45/57/566274557.db2.gz FARLKMSOXKSOIN-MSOLQXFVSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000420372395 566274675 /nfs/dbraw/zinc/27/46/75/566274675.db2.gz FKBTVJUKYGWGJJ-ZWKOTPCHSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000420389984 566276162 /nfs/dbraw/zinc/27/61/62/566276162.db2.gz MWDLKRSPDONPCR-FUHWJXTLSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389547 566276426 /nfs/dbraw/zinc/27/64/26/566276426.db2.gz MESFWYKECGQMIH-SJLPKXTDSA-N 2 0 383.330 3.046 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000625141010 566281857 /nfs/dbraw/zinc/28/18/57/566281857.db2.gz KPSJGGNBDJIDFG-DOTOQJQBSA-N 2 0 389.297 3.236 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221492 566290329 /nfs/dbraw/zinc/29/03/29/566290329.db2.gz AYIXLZJVFAAOGN-JLSDUUJJSA-N 2 0 392.341 3.119 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)c2cccs2)CC1 ZINC000535317049 566296616 /nfs/dbraw/zinc/29/66/16/566296616.db2.gz CDVWTTXIVRGLHM-DLBZAZTESA-N 2 0 381.611 3.075 20 0 GGADRP C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000535414635 566303097 /nfs/dbraw/zinc/30/30/97/566303097.db2.gz ZISMNDZKMJMQOC-CQSZACIVSA-N 2 0 389.371 3.059 20 0 GGADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1cccc(Br)c1 ZINC000576030122 566308628 /nfs/dbraw/zinc/30/86/28/566308628.db2.gz ODBXBUOBWAGSDO-SFHVURJKSA-N 2 0 397.357 3.185 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000482457455 566309476 /nfs/dbraw/zinc/30/94/76/566309476.db2.gz VDLXMXPYMYDXHH-OAHLLOKOSA-N 2 0 379.961 3.445 20 0 GGADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539752 566315931 /nfs/dbraw/zinc/31/59/31/566315931.db2.gz SLBSYBXPBFOSSE-WBVHZDCISA-N 2 0 383.989 3.388 20 0 GGADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539750 566316542 /nfs/dbraw/zinc/31/65/42/566316542.db2.gz SLBSYBXPBFOSSE-NVXWUHKLSA-N 2 0 383.989 3.388 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Br)c21 ZINC000482568305 566318397 /nfs/dbraw/zinc/31/83/97/566318397.db2.gz XKMJGUANRHPDIV-CKEIUWERSA-N 2 0 394.357 3.174 20 0 GGADRP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633909 566323065 /nfs/dbraw/zinc/32/30/65/566323065.db2.gz XYUCZLNBEXWGKL-GJZGRUSLSA-N 2 0 386.323 3.137 20 0 GGADRP C[N@@H+]1CCC[C@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448443 566323322 /nfs/dbraw/zinc/32/33/22/566323322.db2.gz LHUCRPCERZIIKQ-MJGOQNOKSA-N 2 0 392.341 3.120 20 0 GGADRP C[N@@H+]1CCC[C@@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448441 566323489 /nfs/dbraw/zinc/32/34/89/566323489.db2.gz LHUCRPCERZIIKQ-IEBWSBKVSA-N 2 0 392.341 3.120 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000482882201 566340597 /nfs/dbraw/zinc/34/05/97/566340597.db2.gz AFESODZPLCNHAB-KBXCAEBGSA-N 2 0 385.321 3.402 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000482897385 566340781 /nfs/dbraw/zinc/34/07/81/566340781.db2.gz ZGEXFCJLSJTZQM-RHSMWYFYSA-N 2 0 387.387 3.491 20 0 GGADRP C[NH+](C)CCCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000556940299 566348185 /nfs/dbraw/zinc/34/81/85/566348185.db2.gz UDXCULOFYHLYBX-UHFFFAOYSA-N 2 0 384.362 3.071 20 0 GGADRP COc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000556952673 566349969 /nfs/dbraw/zinc/34/99/69/566349969.db2.gz ILYLZQBRGFGWTE-MWLCHTKSSA-N 2 0 392.135 3.437 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000536303353 566363240 /nfs/dbraw/zinc/36/32/40/566363240.db2.gz YHLNYHUOZPQOKU-QGZVFWFLSA-N 2 0 386.765 3.317 20 0 GGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000421367071 566368388 /nfs/dbraw/zinc/36/83/88/566368388.db2.gz DMNCFKQDQSWIND-UHFFFAOYSA-N 2 0 376.257 3.393 20 0 GGADRP COc1cc(Br)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000446891300 566369814 /nfs/dbraw/zinc/36/98/14/566369814.db2.gz WRQVOAOVDNPCTD-UHFFFAOYSA-N 2 0 383.330 3.430 20 0 GGADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510699993 566405588 /nfs/dbraw/zinc/40/55/88/566405588.db2.gz DEGAVHBDIXJVSR-CEXWTWQISA-N 2 0 379.342 3.404 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Cl)cc1I ZINC000447566702 566416231 /nfs/dbraw/zinc/41/62/31/566416231.db2.gz VTQIEHZMPYPOLR-IINYFYTJSA-N 2 0 378.685 3.374 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1C ZINC000463619505 566422036 /nfs/dbraw/zinc/42/20/36/566422036.db2.gz RGOUCYMKKRYTEA-INIZCTEOSA-N 2 0 396.373 3.246 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1I ZINC000484305777 566424465 /nfs/dbraw/zinc/42/44/65/566424465.db2.gz IUEOSAVWGWXXJN-ZIAGYGMSSA-N 2 0 390.309 3.299 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)s1 ZINC000671683345 566438345 /nfs/dbraw/zinc/43/83/45/566438345.db2.gz VLQLYRJYJMHALD-CYBMUJFWSA-N 2 0 377.476 3.255 20 0 GGADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422637625 566460640 /nfs/dbraw/zinc/46/06/40/566460640.db2.gz PCNQSYUNNQDVLS-UPJWGTAASA-N 2 0 386.309 3.222 20 0 GGADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422799526 566462993 /nfs/dbraw/zinc/46/29/93/566462993.db2.gz XCUKQZUAZYOVLE-BRWVUGGUSA-N 2 0 377.579 3.469 20 0 GGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422785997 566463132 /nfs/dbraw/zinc/46/31/32/566463132.db2.gz QAMJTNDZYRSOIG-ZTFGCOKTSA-N 2 0 379.342 3.227 20 0 GGADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422785996 566463268 /nfs/dbraw/zinc/46/32/68/566463268.db2.gz QAMJTNDZYRSOIG-JCGIZDLHSA-N 2 0 379.342 3.227 20 0 GGADRP Brc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422748358 566463345 /nfs/dbraw/zinc/46/33/45/566463345.db2.gz UFBDNXMTGXUKOU-FGTMMUONSA-N 2 0 379.342 3.227 20 0 GGADRP [NH3+][C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000422861225 566463393 /nfs/dbraw/zinc/46/33/93/566463393.db2.gz NOSCFENKYPVWTC-ROUUACIJSA-N 2 0 388.309 3.303 20 0 GGADRP Fc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422751612 566463487 /nfs/dbraw/zinc/46/34/87/566463487.db2.gz BSUAEFOEEUKGAS-KBAYOESNSA-N 2 0 385.321 3.268 20 0 GGADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422726723 566463590 /nfs/dbraw/zinc/46/35/90/566463590.db2.gz AFZPYLGNIBAXQY-YOEHRIQHSA-N 2 0 382.346 3.079 20 0 GGADRP O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876896 566465052 /nfs/dbraw/zinc/46/50/52/566465052.db2.gz GQCXBGUIADJUOA-KURKYZTESA-N 2 0 394.357 3.079 20 0 GGADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422914023 566465234 /nfs/dbraw/zinc/46/52/34/566465234.db2.gz ZUSHXIRMADLKGE-IRXDYDNUSA-N 2 0 382.346 3.047 20 0 GGADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875661 566465700 /nfs/dbraw/zinc/46/57/00/566465700.db2.gz FNMOBZGBVMGGMV-OKZBNKHCSA-N 2 0 381.358 3.473 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000422930557 566465803 /nfs/dbraw/zinc/46/58/03/566465803.db2.gz UZBLVVZCFIKNAH-LSDHHAIUSA-N 2 0 397.357 3.291 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000422960788 566467648 /nfs/dbraw/zinc/46/76/48/566467648.db2.gz XSLPANUYILTIDA-GUYCJALGSA-N 2 0 395.341 3.347 20 0 GGADRP [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989142 566469743 /nfs/dbraw/zinc/46/97/43/566469743.db2.gz KMESZRBPHFHEBF-DLBZAZTESA-N 2 0 382.346 3.035 20 0 GGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707673 566471107 /nfs/dbraw/zinc/47/11/07/566471107.db2.gz KQHRWUQUNRXYGO-LXZKKBNFSA-N 2 0 383.330 3.176 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000423060277 566471407 /nfs/dbraw/zinc/47/14/07/566471407.db2.gz NXTQBTFPRZPVEL-NEPJUHHUSA-N 2 0 389.359 3.483 20 0 GGADRP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423057419 566471436 /nfs/dbraw/zinc/47/14/36/566471436.db2.gz ZQJFCPWUPGFFID-RHSMWYFYSA-N 2 0 382.346 3.360 20 0 GGADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707672 566472083 /nfs/dbraw/zinc/47/20/83/566472083.db2.gz KQHRWUQUNRXYGO-JLJPHGGASA-N 2 0 383.330 3.176 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073501 566472705 /nfs/dbraw/zinc/47/27/05/566472705.db2.gz IUJAJMQOEXOKEJ-DSLXNQLJSA-N 2 0 381.358 3.110 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070692 566472864 /nfs/dbraw/zinc/47/28/64/566472864.db2.gz DFCBTOLMWOQPOZ-OYSPMZIOSA-N 2 0 381.358 3.110 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000423082679 566473068 /nfs/dbraw/zinc/47/30/68/566473068.db2.gz FNRDPUUMWFWOCJ-WDEREUQCSA-N 2 0 379.448 3.134 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000423082677 566473242 /nfs/dbraw/zinc/47/32/42/566473242.db2.gz FNRDPUUMWFWOCJ-MNOVXSKESA-N 2 0 379.448 3.134 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000423082678 566473331 /nfs/dbraw/zinc/47/33/31/566473331.db2.gz FNRDPUUMWFWOCJ-QWRGUYRKSA-N 2 0 379.448 3.134 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078023 566473374 /nfs/dbraw/zinc/47/33/74/566473374.db2.gz VCXVBHRVQUOGFM-DSLXNQLJSA-N 2 0 381.358 3.110 20 0 GGADRP Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000423130743 566476697 /nfs/dbraw/zinc/47/66/97/566476697.db2.gz YVDHMRNTNLAFDM-HYVNUMGLSA-N 2 0 392.341 3.220 20 0 GGADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)cc1OCCCO ZINC000423135535 566478097 /nfs/dbraw/zinc/47/80/97/566478097.db2.gz UEVQLLXQCYPERM-HLIUYOAVSA-N 2 0 385.346 3.378 20 0 GGADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145362 566478611 /nfs/dbraw/zinc/47/86/11/566478611.db2.gz KKEZOWJEIVCFPX-HNAYVOBHSA-N 2 0 380.941 3.052 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]C/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423161494 566480073 /nfs/dbraw/zinc/48/00/73/566480073.db2.gz SARPCOVBFFLLII-FOSCPCJNSA-N 2 0 395.341 3.373 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000423156600 566480161 /nfs/dbraw/zinc/48/01/61/566480161.db2.gz LGLRRBQNEYFRCJ-ZDUSSCGKSA-N 2 0 389.323 3.283 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169976 566480240 /nfs/dbraw/zinc/48/02/40/566480240.db2.gz KTOSFFHEKXXBPI-JEDBISTDSA-N 2 0 399.348 3.250 20 0 GGADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178838 566480314 /nfs/dbraw/zinc/48/03/14/566480314.db2.gz ISXHEOOHYABTCG-KXBFYZLASA-N 2 0 380.374 3.391 20 0 GGADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164829 566481006 /nfs/dbraw/zinc/48/10/06/566481006.db2.gz SYEWOQJUQLZYEZ-ILRDRHFLSA-N 2 0 399.348 3.250 20 0 GGADRP Fc1ccc(Br)cc1[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423202972 566481670 /nfs/dbraw/zinc/48/16/70/566481670.db2.gz LRYQODOLDJMYMN-LJQANCHMSA-N 2 0 392.316 3.172 20 0 GGADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423191984 566481970 /nfs/dbraw/zinc/48/19/70/566481970.db2.gz UWYVGVCOSMUHKZ-SFHVURJKSA-N 2 0 384.362 3.040 20 0 GGADRP Fc1ccccc1[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423200132 566482713 /nfs/dbraw/zinc/48/27/13/566482713.db2.gz DKGMCAYMFMQSIX-IBGZPJMESA-N 2 0 392.316 3.172 20 0 GGADRP Brc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccco2)cc1 ZINC000423184610 566482744 /nfs/dbraw/zinc/48/27/44/566482744.db2.gz MHNDDEAGTIHVNY-SFHVURJKSA-N 2 0 378.314 3.016 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@@H]1CCC[NH2+]C1 ZINC000423212342 566483067 /nfs/dbraw/zinc/48/30/67/566483067.db2.gz IFIARVKJKANZCM-DMDPSCGWSA-N 2 0 376.257 3.469 20 0 GGADRP Brc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259326 566484457 /nfs/dbraw/zinc/48/44/57/566484457.db2.gz NXFMCOQDPNAMCP-KDOFPFPSSA-N 2 0 375.314 3.308 20 0 GGADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261951 566484523 /nfs/dbraw/zinc/48/45/23/566484523.db2.gz UBVNJXNQFZDOGW-ZFWWWQNUSA-N 2 0 392.345 3.379 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423250017 566484640 /nfs/dbraw/zinc/48/46/40/566484640.db2.gz PUVKFXCHQJTAQG-DOMZBBRYSA-N 2 0 386.277 3.094 20 0 GGADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261950 566484912 /nfs/dbraw/zinc/48/49/12/566484912.db2.gz UBVNJXNQFZDOGW-UKRRQHHQSA-N 2 0 392.345 3.379 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423387537 566486368 /nfs/dbraw/zinc/48/63/68/566486368.db2.gz MBXAFDUBYHONIP-GFQSEFKGSA-N 2 0 381.895 3.319 20 0 GGADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423387534 566486545 /nfs/dbraw/zinc/48/65/45/566486545.db2.gz MBXAFDUBYHONIP-CIQGVGRVSA-N 2 0 381.895 3.319 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1F ZINC000423379203 566486779 /nfs/dbraw/zinc/48/67/79/566486779.db2.gz GKOYISFUCHOTCM-QMTHXVAHSA-N 2 0 398.242 3.075 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000423381577 566486812 /nfs/dbraw/zinc/48/68/12/566486812.db2.gz ICESPCRMGXVRDM-QMTHXVAHSA-N 2 0 398.242 3.075 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423345393 566486848 /nfs/dbraw/zinc/48/68/48/566486848.db2.gz NYHZNEYTYMGSLQ-OAHLLOKOSA-N 2 0 384.261 3.014 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423345392 566486916 /nfs/dbraw/zinc/48/69/16/566486916.db2.gz NYHZNEYTYMGSLQ-HNNXBMFYSA-N 2 0 384.261 3.014 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000423399688 566488572 /nfs/dbraw/zinc/48/85/72/566488572.db2.gz WNTVXYDMVWYCIS-QMTHXVAHSA-N 2 0 398.242 3.075 20 0 GGADRP CSc1ccsc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018802 566504666 /nfs/dbraw/zinc/50/46/66/566504666.db2.gz KDGRGBHCQRIJKX-UHFFFAOYSA-N 2 0 375.563 3.193 20 0 GGADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)sc1Br ZINC000512050879 566509321 /nfs/dbraw/zinc/50/93/21/566509321.db2.gz FGTAELLBTWPOTD-STQMWFEESA-N 2 0 388.375 3.057 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000578395421 566517307 /nfs/dbraw/zinc/51/73/07/566517307.db2.gz AJFCPHHQKGHOOH-PBHICJAKSA-N 2 0 387.337 3.346 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000578395422 566517818 /nfs/dbraw/zinc/51/78/18/566517818.db2.gz AJFCPHHQKGHOOH-RHSMWYFYSA-N 2 0 387.337 3.346 20 0 GGADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000538589267 566521324 /nfs/dbraw/zinc/52/13/24/566521324.db2.gz HSJHIMXZAPNVER-ZBFHGGJFSA-N 2 0 379.957 3.341 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000651460501 566523346 /nfs/dbraw/zinc/52/33/46/566523346.db2.gz PXBQAFJNITXXTD-WBVHZDCISA-N 2 0 383.374 3.228 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424289082 566524906 /nfs/dbraw/zinc/52/49/06/566524906.db2.gz LKFYUTKAUJWKOL-ZDUSSCGKSA-N 2 0 398.320 3.381 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651466838 566524910 /nfs/dbraw/zinc/52/49/10/566524910.db2.gz YNDHEUJMRBYPFE-HOTGVXAUSA-N 2 0 383.374 3.228 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424288028 566525164 /nfs/dbraw/zinc/52/51/64/566525164.db2.gz JSBMAGMPENMIMF-AWEZNQCLSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1Br)CC[NH2+]CC2 ZINC000424283138 566525288 /nfs/dbraw/zinc/52/52/88/566525288.db2.gz AVIQPQDZNNHFKL-CQSZACIVSA-N 2 0 380.330 3.242 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424286023 566525411 /nfs/dbraw/zinc/52/54/11/566525411.db2.gz FRZVCZHESACREI-HZMBPMFUSA-N 2 0 378.685 3.374 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449072292 566525425 /nfs/dbraw/zinc/52/54/25/566525425.db2.gz DWCYILGSSBMVHF-UHFFFAOYSA-N 2 0 391.357 3.113 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301174 566526922 /nfs/dbraw/zinc/52/69/22/566526922.db2.gz XJKIJVBDXNFNSP-CABCVRRESA-N 2 0 394.357 3.090 20 0 GGADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)CC[NH2+]CC2 ZINC000424301555 566527383 /nfs/dbraw/zinc/52/73/83/566527383.db2.gz XQCSAKADAOAZBN-AWEZNQCLSA-N 2 0 384.351 3.416 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559260175 566536066 /nfs/dbraw/zinc/53/60/66/566536066.db2.gz SSQZQECRHASZOP-KRWDZBQOSA-N 2 0 381.358 3.397 20 0 GGADRP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000559273673 566538657 /nfs/dbraw/zinc/53/86/57/566538657.db2.gz XXGWIKGMVQRGEN-CRAIPNDOSA-N 2 0 393.369 3.397 20 0 GGADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311306 566540266 /nfs/dbraw/zinc/54/02/66/566540266.db2.gz KMKOFOQJISXLMD-SFHVURJKSA-N 2 0 380.330 3.195 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538867013 566541664 /nfs/dbraw/zinc/54/16/64/566541664.db2.gz MCZSCWXVKFNDCA-IBGZPJMESA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869679 566542034 /nfs/dbraw/zinc/54/20/34/566542034.db2.gz JBODEGLPVCWSLW-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000673599838 566545282 /nfs/dbraw/zinc/54/52/82/566545282.db2.gz PPGDDMIYFHPMMH-CQSZACIVSA-N 2 0 386.353 3.135 20 0 GGADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000449323486 566547989 /nfs/dbraw/zinc/54/79/89/566547989.db2.gz VPDUNJKEEAKSRQ-MRXNPFEDSA-N 2 0 391.357 3.331 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000539058041 566556719 /nfs/dbraw/zinc/55/67/19/566556719.db2.gz HXWQLWVYYDXBIT-PBHICJAKSA-N 2 0 390.355 3.494 20 0 GGADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000466358431 566568397 /nfs/dbraw/zinc/56/83/97/566568397.db2.gz CHLBDKLSPRPTHK-UHFFFAOYSA-N 2 0 378.314 3.117 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000578984420 566570803 /nfs/dbraw/zinc/57/08/03/566570803.db2.gz INQVQCNFUCHERF-LJQANCHMSA-N 2 0 396.373 3.251 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000578999678 566572722 /nfs/dbraw/zinc/57/27/22/566572722.db2.gz QERNMXINJUAAQV-INIZCTEOSA-N 2 0 376.488 3.026 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596720 566578391 /nfs/dbraw/zinc/57/83/91/566578391.db2.gz CFXMEQNLNMKVNM-LBTNJELSSA-N 2 0 387.337 3.059 20 0 GGADRP COc1ccc(C[C@H](CO)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000449596845 566578914 /nfs/dbraw/zinc/57/89/14/566578914.db2.gz CKGUCPRMTZONPR-INIZCTEOSA-N 2 0 399.373 3.071 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599468 566580342 /nfs/dbraw/zinc/58/03/42/566580342.db2.gz LASMTYSNJYIACB-RCCFBDPRSA-N 2 0 381.358 3.125 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000449599171 566580406 /nfs/dbraw/zinc/58/04/06/566580406.db2.gz KDBPTNQEQPNNID-WDYCEAGBSA-N 2 0 383.374 3.228 20 0 GGADRP Cc1ccc(C[C@H](CO)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000449598909 566580702 /nfs/dbraw/zinc/58/07/02/566580702.db2.gz JMUUMFQLVGHFQJ-KRWDZBQOSA-N 2 0 383.374 3.371 20 0 GGADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600126 566580872 /nfs/dbraw/zinc/58/08/72/566580872.db2.gz NDNXGXOAKHVVLA-MRXNPFEDSA-N 2 0 399.373 3.073 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601400 566582272 /nfs/dbraw/zinc/58/22/72/566582272.db2.gz RLRVQKBNGARNGR-AWEZNQCLSA-N 2 0 387.337 3.202 20 0 GGADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507300 566585677 /nfs/dbraw/zinc/58/56/77/566585677.db2.gz LDIVRUGUKGDDSM-MRXNPFEDSA-N 2 0 398.288 3.356 20 0 GGADRP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449682514 566591363 /nfs/dbraw/zinc/59/13/63/566591363.db2.gz LSBLODFZJCZOHU-MRXNPFEDSA-N 2 0 383.374 3.371 20 0 GGADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686449 566592907 /nfs/dbraw/zinc/59/29/07/566592907.db2.gz WYYYNARGHHQNQV-OAHLLOKOSA-N 2 0 387.337 3.202 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(Br)cc(F)c3F)C2)C1 ZINC000652350223 566603167 /nfs/dbraw/zinc/60/31/67/566603167.db2.gz MSBRBHUXOUWASD-DJSGYFEHSA-N 2 0 389.284 3.446 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345533 566603230 /nfs/dbraw/zinc/60/32/30/566603230.db2.gz DLGFVQKJOJZBLL-IOASZLSFSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)C1 ZINC000652348385 566603695 /nfs/dbraw/zinc/60/36/95/566603695.db2.gz BOBUJLOOVHQVHF-SUYBPPKGSA-N 2 0 383.323 3.359 20 0 GGADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000652345982 566603891 /nfs/dbraw/zinc/60/38/91/566603891.db2.gz QKMNAKALSVENQR-QGPMSJSTSA-N 2 0 383.330 3.046 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346113 566603905 /nfs/dbraw/zinc/60/39/05/566603905.db2.gz UDQKSFJURKRJDK-QEORTHHSSA-N 2 0 386.323 3.150 20 0 GGADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345536 566603965 /nfs/dbraw/zinc/60/39/65/566603965.db2.gz DLGFVQKJOJZBLL-ZENOOKHLSA-N 2 0 386.323 3.150 20 0 GGADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000539820942 566604447 /nfs/dbraw/zinc/60/44/47/566604447.db2.gz RYFHEWHNRWEKDT-KRWDZBQOSA-N 2 0 376.595 3.472 20 0 GGADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652353994 566605878 /nfs/dbraw/zinc/60/58/78/566605878.db2.gz KARKIISMXPDGRG-MLGOLLRUSA-N 2 0 386.309 3.366 20 0 GGADRP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Br ZINC000425209609 566617171 /nfs/dbraw/zinc/61/71/71/566617171.db2.gz SDDIRRBVDHSJMC-STQMWFEESA-N 2 0 376.298 3.467 20 0 GGADRP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Br ZINC000425209607 566617256 /nfs/dbraw/zinc/61/72/56/566617256.db2.gz SDDIRRBVDHSJMC-OLZOCXBDSA-N 2 0 376.298 3.467 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCSCC(F)(F)F)CC1 ZINC000539978250 566618788 /nfs/dbraw/zinc/61/87/88/566618788.db2.gz DMERXVRTIRJKOY-UHFFFAOYSA-N 2 0 381.895 3.477 20 0 GGADRP COc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000579651988 566627187 /nfs/dbraw/zinc/62/71/87/566627187.db2.gz LTNXVHACBRQQRP-HNAYVOBHSA-N 2 0 398.389 3.380 20 0 GGADRP Brc1cnn(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000560580593 566640700 /nfs/dbraw/zinc/64/07/00/566640700.db2.gz KVUIMZZSTNZZAT-YTQUADARSA-N 2 0 389.341 3.146 20 0 GGADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000540416457 566650138 /nfs/dbraw/zinc/65/01/38/566650138.db2.gz NLZOOPRKHBPEGK-WBMJQRKESA-N 2 0 385.371 3.278 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000579948163 566654125 /nfs/dbraw/zinc/65/41/25/566654125.db2.gz SQPHIJRSWOQUNJ-QGZVFWFLSA-N 2 0 385.346 3.043 20 0 GGADRP C[C@@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC[NH+](C)CC1 ZINC000675738800 566662804 /nfs/dbraw/zinc/66/28/04/566662804.db2.gz MZSXYTWKYRBXMB-SNVBAGLBSA-N 2 0 375.826 3.221 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000580069452 566663032 /nfs/dbraw/zinc/66/30/32/566663032.db2.gz FUKFOLNGJGCSJV-SFHVURJKSA-N 2 0 382.346 3.004 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000629533462 566664586 /nfs/dbraw/zinc/66/45/86/566664586.db2.gz AXOLIJWRZPJJHU-WMZOPIPTSA-N 2 0 392.341 3.166 20 0 GGADRP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000629533459 566664617 /nfs/dbraw/zinc/66/46/17/566664617.db2.gz AXOLIJWRZPJJHU-AEFFLSMTSA-N 2 0 392.341 3.166 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000580087758 566664758 /nfs/dbraw/zinc/66/47/58/566664758.db2.gz ABOUXRJYOMVQSP-DLBZAZTESA-N 2 0 381.358 3.133 20 0 GGADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000675818485 566666163 /nfs/dbraw/zinc/66/61/63/566666163.db2.gz FYCUFINYDFFQFE-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567688 566666272 /nfs/dbraw/zinc/66/62/72/566666272.db2.gz PYXWAAPQTBSQIV-STQMWFEESA-N 2 0 375.460 3.196 20 0 GGADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567687 566666299 /nfs/dbraw/zinc/66/62/99/566666299.db2.gz PYXWAAPQTBSQIV-QWHCGFSZSA-N 2 0 375.460 3.196 20 0 GGADRP O[C@H](C[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C[NH+]1CCCC1 ZINC000629577332 566667953 /nfs/dbraw/zinc/66/79/53/566667953.db2.gz RFPLRGLIGSIMGZ-CQSZACIVSA-N 2 0 376.850 3.437 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)c(F)c1 ZINC000676077491 566675199 /nfs/dbraw/zinc/67/51/99/566675199.db2.gz RLUDLIOYMLFDAN-ZFWWWQNUSA-N 2 0 384.337 3.407 20 0 GGADRP O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000515004563 566685168 /nfs/dbraw/zinc/68/51/68/566685168.db2.gz XHBJCNMZEYLKFE-QGZVFWFLSA-N 2 0 385.339 3.009 20 0 GGADRP CSC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540986298 566685270 /nfs/dbraw/zinc/68/52/70/566685270.db2.gz DTSYUSWBNNEDSG-RHSMWYFYSA-N 2 0 375.504 3.335 20 0 GGADRP C[NH+](C)CC[C@H](NCc1cn(-c2ccccc2Br)nn1)C(C)(C)C ZINC000580604550 566707242 /nfs/dbraw/zinc/70/72/42/566707242.db2.gz WXJFFOGHGVKXHZ-KRWDZBQOSA-N 2 0 394.361 3.486 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000580646598 566712156 /nfs/dbraw/zinc/71/21/56/566712156.db2.gz OBAMGVWUEGNACY-JYJNAYRXSA-N 2 0 394.357 3.406 20 0 GGADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000515594034 566722128 /nfs/dbraw/zinc/72/21/28/566722128.db2.gz DDKLTLTVSUQMTO-INIZCTEOSA-N 2 0 399.348 3.203 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000515650033 566725322 /nfs/dbraw/zinc/72/53/22/566725322.db2.gz HITHZEBKAMBDPB-CYBMUJFWSA-N 2 0 376.298 3.415 20 0 GGADRP COCC[N@H+](C)CCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000561739035 566734488 /nfs/dbraw/zinc/73/44/88/566734488.db2.gz VQMDAPVGDUOMCW-UHFFFAOYSA-N 2 0 394.151 3.270 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654489 566757416 /nfs/dbraw/zinc/75/74/16/566757416.db2.gz PTUHNGNJZVXTKR-ACJLOTCBSA-N 2 0 396.348 3.334 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654492 566758817 /nfs/dbraw/zinc/75/88/17/566758817.db2.gz PTUHNGNJZVXTKR-UGSOOPFHSA-N 2 0 396.348 3.334 20 0 GGADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000581251701 566762047 /nfs/dbraw/zinc/76/20/47/566762047.db2.gz GEADLVIKOWKJMT-BMGDILEWSA-N 2 0 387.325 3.465 20 0 GGADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000581251704 566762709 /nfs/dbraw/zinc/76/27/09/566762709.db2.gz GEADLVIKOWKJMT-ZTFGCOKTSA-N 2 0 387.325 3.465 20 0 GGADRP C[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801144 566763297 /nfs/dbraw/zinc/76/32/97/566763297.db2.gz DRAYJPANCLQYII-INIZCTEOSA-N 2 0 384.337 3.189 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542150717 566778134 /nfs/dbraw/zinc/77/81/34/566778134.db2.gz GQZIIYFNJXHYBL-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542150715 566778739 /nfs/dbraw/zinc/77/87/39/566778739.db2.gz GQZIIYFNJXHYBL-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)ccc1Br ZINC000581689543 566798989 /nfs/dbraw/zinc/79/89/89/566798989.db2.gz WKMBJADHSJFIDC-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000678411007 566799292 /nfs/dbraw/zinc/79/92/92/566799292.db2.gz FTDCWFOUOOIGLB-SFHVURJKSA-N 2 0 380.374 3.442 20 0 GGADRP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678587022 566805814 /nfs/dbraw/zinc/80/58/14/566805814.db2.gz ASHKQDGLOIYUDU-AWEZNQCLSA-N 2 0 382.346 3.406 20 0 GGADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000678598204 566807360 /nfs/dbraw/zinc/80/73/60/566807360.db2.gz DKALEBYMXJJMQQ-GUDVDZBRSA-N 2 0 379.342 3.404 20 0 GGADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000542666458 566816608 /nfs/dbraw/zinc/81/66/08/566816608.db2.gz ZSONELFVNVVRMS-AWEZNQCLSA-N 2 0 390.309 3.300 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(-c2ccsc2)s1 ZINC000489965086 566819079 /nfs/dbraw/zinc/81/90/79/566819079.db2.gz KYUZDTKNHKJASX-UHFFFAOYSA-N 2 0 380.583 3.217 20 0 GGADRP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000469874317 566822991 /nfs/dbraw/zinc/82/29/91/566822991.db2.gz QCCLHHDHXVJHSC-KKXDTOCCSA-N 2 0 375.314 3.112 20 0 GGADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000678923605 566826104 /nfs/dbraw/zinc/82/61/04/566826104.db2.gz XQURLTIUPIXUJS-AWEZNQCLSA-N 2 0 384.362 3.134 20 0 GGADRP Brc1ccc(-n2cc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039472 566826286 /nfs/dbraw/zinc/82/62/86/566826286.db2.gz MMUCCCRFDDWKHY-SFHVURJKSA-N 2 0 375.314 3.210 20 0 GGADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000582090394 566829650 /nfs/dbraw/zinc/82/96/50/566829650.db2.gz XLDFUMQIKKTJIZ-UHFFFAOYSA-N 2 0 380.374 3.217 20 0 GGADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469995334 566834670 /nfs/dbraw/zinc/83/46/70/566834670.db2.gz YYSPVVKBMXHLTB-CQSZACIVSA-N 2 0 377.941 3.355 20 0 GGADRP CC[NH2+]CC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470003383 566837160 /nfs/dbraw/zinc/83/71/60/566837160.db2.gz QOXRYSDEEKGNBB-UHFFFAOYSA-N 2 0 377.330 3.456 20 0 GGADRP COCC[N@H+](C)CCCNCc1cn(-c2cccc(Br)c2)nc1C ZINC000655711189 566838146 /nfs/dbraw/zinc/83/81/46/566838146.db2.gz GEFQOKIDUOCJBL-UHFFFAOYSA-N 2 0 395.345 3.001 20 0 GGADRP C[C@H](C[NH2+]Cc1oc2ccccc2c1Br)CN1CC[NH+](C)CC1 ZINC000655730226 566840022 /nfs/dbraw/zinc/84/00/22/566840022.db2.gz NJEIJLWUUVZJHW-CQSZACIVSA-N 2 0 380.330 3.168 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655731377 566840577 /nfs/dbraw/zinc/84/05/77/566840577.db2.gz XAVCWNFJTWNKGY-UHFFFAOYSA-N 2 0 380.330 3.313 20 0 GGADRP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000655729046 566840979 /nfs/dbraw/zinc/84/09/79/566840979.db2.gz DFZOCRPWNXPJNE-UHFFFAOYSA-N 2 0 377.330 3.375 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Br ZINC000655759079 566845986 /nfs/dbraw/zinc/84/59/86/566845986.db2.gz IWAIICCCTFRKBN-AWEZNQCLSA-N 2 0 380.330 3.311 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000517856068 566850578 /nfs/dbraw/zinc/85/05/78/566850578.db2.gz BGGUDCVFBYORNP-UHFFFAOYSA-N 2 0 396.373 3.260 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000563154558 566860443 /nfs/dbraw/zinc/86/04/43/566860443.db2.gz PSGZTOHEUFCGME-CYBMUJFWSA-N 2 0 386.323 3.009 20 0 GGADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000563155021 566860587 /nfs/dbraw/zinc/86/05/87/566860587.db2.gz XYCKYNRIRKXCLJ-PMUMKWKESA-N 2 0 382.335 3.420 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000518262586 566874280 /nfs/dbraw/zinc/87/42/80/566874280.db2.gz PIGHZNXAUKOEFJ-GFCCVEGCSA-N 2 0 394.279 3.193 20 0 GGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000563325272 566876448 /nfs/dbraw/zinc/87/64/48/566876448.db2.gz RAZCQMACEICPIC-OAHLLOKOSA-N 2 0 377.330 3.261 20 0 GGADRP CSC1(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000582602221 566879334 /nfs/dbraw/zinc/87/93/34/566879334.db2.gz QOTVWNHZOXYXNY-QAPCUYQASA-N 2 0 386.989 3.196 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cncc(Br)c1 ZINC000518566018 566892282 /nfs/dbraw/zinc/89/22/82/566892282.db2.gz WLHJOUAYGYVIDD-LIRRHRJNSA-N 2 0 390.325 3.262 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(Br)c2)C(C)C)CC1 ZINC000518597146 566893896 /nfs/dbraw/zinc/89/38/96/566893896.db2.gz IVRRCUVYMNRMKZ-UHFFFAOYSA-N 2 0 396.373 3.260 20 0 GGADRP CSC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543776211 566909939 /nfs/dbraw/zinc/90/99/39/566909939.db2.gz MQMAQBFUUQRKKX-PBHICJAKSA-N 2 0 375.504 3.335 20 0 GGADRP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000680479010 566910500 /nfs/dbraw/zinc/91/05/00/566910500.db2.gz RBWGMAUVHYGINY-HOTGVXAUSA-N 2 0 380.330 3.303 20 0 GGADRP [NH3+][C@@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000582965549 566910379 /nfs/dbraw/zinc/91/03/79/566910379.db2.gz RFOPNBPSJFSDNB-HNNXBMFYSA-N 2 0 394.293 3.400 20 0 GGADRP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680469366 566911014 /nfs/dbraw/zinc/91/10/14/566911014.db2.gz DPUIQCFALNSDKB-CQSZACIVSA-N 2 0 379.346 3.268 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000451982271 566918524 /nfs/dbraw/zinc/91/85/24/566918524.db2.gz JSRPQSOAODCXHB-UHFFFAOYSA-N 2 0 384.355 3.147 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000544010925 566928052 /nfs/dbraw/zinc/92/80/52/566928052.db2.gz IPPKNNGTCRVDDA-KBXCAEBGSA-N 2 0 394.357 3.004 20 0 GGADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429451368 566932397 /nfs/dbraw/zinc/93/23/97/566932397.db2.gz MMZXTTPZOJNTDJ-HNNXBMFYSA-N 2 0 383.374 3.453 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381453 566936978 /nfs/dbraw/zinc/93/69/78/566936978.db2.gz KDGZMBXHJGHUFM-FGTMMUONSA-N 2 0 394.357 3.079 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000583323133 566941483 /nfs/dbraw/zinc/94/14/83/566941483.db2.gz DKYXSNQRAVIKKQ-AWEZNQCLSA-N 2 0 382.282 3.256 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493843538 566956749 /nfs/dbraw/zinc/95/67/49/566956749.db2.gz LKVZZNHRXYBIHP-GOSISDBHSA-N 2 0 380.374 3.362 20 0 GGADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(I)c3)C2)CC1 ZINC000564250385 566957784 /nfs/dbraw/zinc/95/77/84/566957784.db2.gz DOSJHGJIFSOENK-MRXNPFEDSA-N 2 0 384.305 3.455 20 0 GGADRP Cn1ccnc1[C@H]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318703 566963541 /nfs/dbraw/zinc/96/35/41/566963541.db2.gz FLTFGDKIGPMLEZ-LBPRGKRZSA-N 2 0 377.279 3.297 20 0 GGADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CC2 ZINC000493975038 566965677 /nfs/dbraw/zinc/96/56/77/566965677.db2.gz DWZMGPUNMPFAHG-GOSISDBHSA-N 2 0 380.374 3.362 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000564489229 566979979 /nfs/dbraw/zinc/97/99/79/566979979.db2.gz WGOHXZVOLNDFKL-CABCVRRESA-N 2 0 386.353 3.135 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000564489234 566980507 /nfs/dbraw/zinc/98/05/07/566980507.db2.gz WGOHXZVOLNDFKL-GJZGRUSLSA-N 2 0 386.353 3.135 20 0 GGADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000564565221 566986916 /nfs/dbraw/zinc/98/69/16/566986916.db2.gz SMTDOGLRWWJJRP-SFHVURJKSA-N 2 0 393.325 3.040 20 0 GGADRP O=C1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000564827700 567010723 /nfs/dbraw/zinc/01/07/23/567010723.db2.gz RPKONERUVYCSJC-SCTDSRPQSA-N 2 0 382.335 3.217 20 0 GGADRP O=C1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000564827697 567011538 /nfs/dbraw/zinc/01/15/38/567011538.db2.gz RPKONERUVYCSJC-LMMKCTJWSA-N 2 0 382.335 3.217 20 0 GGADRP CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281247 567014539 /nfs/dbraw/zinc/01/45/39/567014539.db2.gz ZEMHYXLIQKARAA-OAHLLOKOSA-N 2 0 388.339 3.365 20 0 GGADRP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CC2 ZINC000494763272 567020226 /nfs/dbraw/zinc/02/02/26/567020226.db2.gz QIGOCLQDALHRNL-QAPCUYQASA-N 2 0 380.374 3.360 20 0 GGADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000430579271 567022358 /nfs/dbraw/zinc/02/23/58/567022358.db2.gz CAQGUHRVEMSCEF-KGLIPLIRSA-N 2 0 388.293 3.119 20 0 GGADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000545161391 567024076 /nfs/dbraw/zinc/02/40/76/567024076.db2.gz UHGOQFZFVQEEIC-AUUYWEPGSA-N 2 0 393.325 3.026 20 0 GGADRP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000564989600 567028196 /nfs/dbraw/zinc/02/81/96/567028196.db2.gz TXSUNQSHROUQDY-GJZGRUSLSA-N 2 0 380.330 3.018 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286958 567028987 /nfs/dbraw/zinc/02/89/87/567028987.db2.gz OWFZJBBIPXSTLI-OAHLLOKOSA-N 2 0 382.346 3.345 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286957 567029341 /nfs/dbraw/zinc/02/93/41/567029341.db2.gz OWFZJBBIPXSTLI-HNNXBMFYSA-N 2 0 382.346 3.345 20 0 GGADRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000682085667 567031149 /nfs/dbraw/zinc/03/11/49/567031149.db2.gz KOCMEWWAGNGYSW-GOSISDBHSA-N 2 0 380.374 3.358 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345858 567034338 /nfs/dbraw/zinc/03/43/38/567034338.db2.gz FINJZPULZNBDST-HOCLYGCPSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000430931818 567039685 /nfs/dbraw/zinc/03/96/85/567039685.db2.gz DURULXCGNUBKHB-CYBMUJFWSA-N 2 0 388.293 3.119 20 0 GGADRP CCOCCOc1ccc(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000584414205 567041934 /nfs/dbraw/zinc/04/19/34/567041934.db2.gz LREVKEGEYIDOER-UHFFFAOYSA-N 2 0 385.346 3.425 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657315973 567047178 /nfs/dbraw/zinc/04/71/78/567047178.db2.gz WPRVZYBXKJRSJB-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP Cc1c(Br)cncc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000657314840 567047746 /nfs/dbraw/zinc/04/77/46/567047746.db2.gz BXQSVHNYYOQRGU-UHFFFAOYSA-N 2 0 378.314 3.383 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000453090311 567052938 /nfs/dbraw/zinc/05/29/38/567052938.db2.gz CCOHJOCPQWYLSJ-HNAYVOBHSA-N 2 0 380.374 3.442 20 0 GGADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453101000 567053317 /nfs/dbraw/zinc/05/33/17/567053317.db2.gz XRQSFIZAXAXJGS-IBGZPJMESA-N 2 0 380.374 3.444 20 0 GGADRP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000584557296 567054198 /nfs/dbraw/zinc/05/41/98/567054198.db2.gz RRPRSURLZVQTMY-MRXNPFEDSA-N 2 0 395.341 3.399 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453105241 567054525 /nfs/dbraw/zinc/05/45/25/567054525.db2.gz WIUBPCQLFMTPKD-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Br)C1CC1)CN1CC[NH+](C)CC1 ZINC000453112813 567054983 /nfs/dbraw/zinc/05/49/83/567054983.db2.gz TTZLRWWSWIAYMH-JXFKEZNVSA-N 2 0 394.401 3.243 20 0 GGADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453111375 567055074 /nfs/dbraw/zinc/05/50/74/567055074.db2.gz RNTFUFXESJPQRL-LLVKDONJSA-N 2 0 376.257 3.423 20 0 GGADRP Brc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000657613292 567077110 /nfs/dbraw/zinc/07/71/10/567077110.db2.gz XDPKANAFPUMFEQ-UHFFFAOYSA-N 2 0 375.314 3.241 20 0 GGADRP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000453345326 567078516 /nfs/dbraw/zinc/07/85/16/567078516.db2.gz FFJWOQRCWBNISJ-IWKLRQMXSA-N 2 0 383.374 3.227 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000453370229 567081216 /nfs/dbraw/zinc/08/12/16/567081216.db2.gz NEIWSEXNFMERCB-MMQJMDILSA-N 2 0 387.337 3.058 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627035 567084182 /nfs/dbraw/zinc/08/41/82/567084182.db2.gz SRAYMQVXAPRMEV-HUUCEWRRSA-N 2 0 382.346 3.486 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627036 567084700 /nfs/dbraw/zinc/08/47/00/567084700.db2.gz SRAYMQVXAPRMEV-LSDHHAIUSA-N 2 0 382.346 3.486 20 0 GGADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453395339 567084996 /nfs/dbraw/zinc/08/49/96/567084996.db2.gz HUABLIYEIONHCG-KRWDZBQOSA-N 2 0 387.977 3.163 20 0 GGADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000682942960 567087173 /nfs/dbraw/zinc/08/71/73/567087173.db2.gz SPENRYGUSUZZGA-NSHDSACASA-N 2 0 392.794 3.422 20 0 GGADRP CCCOc1ccc(Br)cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000545904290 567087277 /nfs/dbraw/zinc/08/72/77/567087277.db2.gz GMGAWZSZBSKAHZ-UHFFFAOYSA-N 2 0 398.389 3.307 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404737 567087547 /nfs/dbraw/zinc/08/75/47/567087547.db2.gz PPWYOOCVYDVBLK-LLVKDONJSA-N 2 0 394.368 3.166 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000682942955 567088104 /nfs/dbraw/zinc/08/81/04/567088104.db2.gz SPENRYGUSUZZGA-LLVKDONJSA-N 2 0 392.794 3.422 20 0 GGADRP Cc1ccc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1Br ZINC000473565861 567090808 /nfs/dbraw/zinc/09/08/08/567090808.db2.gz CCYCWYAMBKSNIL-UHFFFAOYSA-N 2 0 398.389 3.032 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657832481 567098834 /nfs/dbraw/zinc/09/88/34/567098834.db2.gz DRHSMMMBVVINSX-IBGZPJMESA-N 2 0 382.390 3.387 20 0 GGADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657872679 567102291 /nfs/dbraw/zinc/10/22/91/567102291.db2.gz OUQKLYJAIALQJL-QFBILLFUSA-N 2 0 382.390 3.242 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000565902946 567109649 /nfs/dbraw/zinc/10/96/49/567109649.db2.gz CQDGRIMLOLNKLA-AWEZNQCLSA-N 2 0 380.330 3.311 20 0 GGADRP Brc1ccc(-c2nccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000565950793 567113213 /nfs/dbraw/zinc/11/32/13/567113213.db2.gz JWHUSLQRSFNUNY-UHFFFAOYSA-N 2 0 387.325 3.482 20 0 GGADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658003837 567114280 /nfs/dbraw/zinc/11/42/80/567114280.db2.gz USKMMPOFYXTUNR-SFHVURJKSA-N 2 0 382.390 3.386 20 0 GGADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000588177672 567119660 /nfs/dbraw/zinc/11/96/60/567119660.db2.gz VMUKDAUUGZTZRX-UHFFFAOYSA-N 2 0 384.351 3.385 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245414 567142208 /nfs/dbraw/zinc/14/22/08/567142208.db2.gz QSOWUFCSBDIARL-CWRNSKLLSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245413 567142535 /nfs/dbraw/zinc/14/25/35/567142535.db2.gz QSOWUFCSBDIARL-BPUTZDHNSA-N 2 0 384.351 3.492 20 0 GGADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000566700639 567181386 /nfs/dbraw/zinc/18/13/86/567181386.db2.gz AISGTQBFKKMNBQ-CQSZACIVSA-N 2 0 386.353 3.135 20 0 GGADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000615462739 567184129 /nfs/dbraw/zinc/18/41/29/567184129.db2.gz GHUZBIVGNYTYRF-HNNXBMFYSA-N 2 0 375.340 3.397 20 0 GGADRP CN[C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1cccc(Cl)c1Cl ZINC000659303807 567202020 /nfs/dbraw/zinc/20/20/20/567202020.db2.gz VXKOQGLEQPFBCH-PIGZYNQJSA-N 2 0 379.291 3.104 20 0 GGADRP CN[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1cccc(Cl)c1Cl ZINC000659303805 567202188 /nfs/dbraw/zinc/20/21/88/567202188.db2.gz VXKOQGLEQPFBCH-GTNSWQLSSA-N 2 0 379.291 3.104 20 0 GGADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000474881129 567206892 /nfs/dbraw/zinc/20/68/92/567206892.db2.gz PYYUHNAUQIKUDK-CQSZACIVSA-N 2 0 384.305 3.464 20 0 GGADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COc1ccc(Br)cc1 ZINC000567160390 567222797 /nfs/dbraw/zinc/22/27/97/567222797.db2.gz FPSRETZJXOAYRH-GOSISDBHSA-N 2 0 397.357 3.185 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159504 567223387 /nfs/dbraw/zinc/22/33/87/567223387.db2.gz OYCJUUDAWXBUES-OKZBNKHCSA-N 2 0 394.357 3.079 20 0 GGADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000659645535 567223321 /nfs/dbraw/zinc/22/33/21/567223321.db2.gz JXJQUKYHOHDZIB-CQSZACIVSA-N 2 0 387.355 3.209 20 0 GGADRP CC(C)(NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000433120384 567225732 /nfs/dbraw/zinc/22/57/32/567225732.db2.gz YRYPVJXOHSBNCP-UHFFFAOYSA-N 2 0 382.346 3.004 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000433147574 567227153 /nfs/dbraw/zinc/22/71/53/567227153.db2.gz DEWSEDRKMXULBP-SFHVURJKSA-N 2 0 381.973 3.160 20 0 GGADRP CC(C)Nc1ccc(Br)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140259 567227519 /nfs/dbraw/zinc/22/75/19/567227519.db2.gz FWVDAMSSHXVEKL-UHFFFAOYSA-N 2 0 397.361 3.411 20 0 GGADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000433147573 567227543 /nfs/dbraw/zinc/22/75/43/567227543.db2.gz DEWSEDRKMXULBP-GOSISDBHSA-N 2 0 381.973 3.160 20 0 GGADRP C[C@H](CCc1ccc(Br)cc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433139666 567228028 /nfs/dbraw/zinc/22/80/28/567228028.db2.gz CBCLHYDXKHGVHY-OAHLLOKOSA-N 2 0 396.373 3.090 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000638313679 567242714 /nfs/dbraw/zinc/24/27/14/567242714.db2.gz YGEBAKNZMLRKML-CYBMUJFWSA-N 2 0 385.346 3.344 20 0 GGADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000499378667 567242871 /nfs/dbraw/zinc/24/28/71/567242871.db2.gz BEGJXLCQLHTICI-INIZCTEOSA-N 2 0 398.389 3.285 20 0 GGADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000638313680 567243466 /nfs/dbraw/zinc/24/34/66/567243466.db2.gz YGEBAKNZMLRKML-ZDUSSCGKSA-N 2 0 385.346 3.344 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638360076 567245356 /nfs/dbraw/zinc/24/53/56/567245356.db2.gz NUKVPZCEWOCNCH-UHFFFAOYSA-N 2 0 395.345 3.098 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000525401286 567247229 /nfs/dbraw/zinc/24/72/29/567247229.db2.gz NOXJOZWPNNQCEC-UHFFFAOYSA-N 2 0 379.298 3.255 20 0 GGADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(Cl)cccc1Cl ZINC000525447306 567249619 /nfs/dbraw/zinc/24/96/19/567249619.db2.gz ZERWBAXSIOJAOK-AWEZNQCLSA-N 2 0 389.371 3.232 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000638562345 567258914 /nfs/dbraw/zinc/25/89/14/567258914.db2.gz BWFPJNVZHQWTLL-UHFFFAOYSA-N 2 0 388.313 3.233 20 0 GGADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Br ZINC000638734698 567266229 /nfs/dbraw/zinc/26/62/29/567266229.db2.gz MOFXKFWEMMDZAF-AWEZNQCLSA-N 2 0 385.346 3.041 20 0 GGADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Br)cc1 ZINC000638699999 567266246 /nfs/dbraw/zinc/26/62/46/567266246.db2.gz UZMCFTQVXLCSMH-CQSZACIVSA-N 2 0 385.346 3.041 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681648 567266624 /nfs/dbraw/zinc/26/66/24/567266624.db2.gz XWIXNWSGYYWQSJ-HOCLYGCPSA-N 2 0 375.340 3.443 20 0 GGADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638780245 567269431 /nfs/dbraw/zinc/26/94/31/567269431.db2.gz OJSSUNDYBVXHCC-ZDUSSCGKSA-N 2 0 387.337 3.344 20 0 GGADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(Cl)cccc1OC(F)F ZINC000685454804 567275657 /nfs/dbraw/zinc/27/56/57/567275657.db2.gz VGJUMKQTJOUWSN-UHFFFAOYSA-N 2 0 375.891 3.399 20 0 GGADRP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000638971832 567280899 /nfs/dbraw/zinc/28/08/99/567280899.db2.gz BDDQKXGYBOUAEB-QGZVFWFLSA-N 2 0 380.319 3.432 20 0 GGADRP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Br)s1 ZINC000638985709 567281009 /nfs/dbraw/zinc/28/10/09/567281009.db2.gz DXALEZHJKHAECI-NSHDSACASA-N 2 0 395.326 3.057 20 0 GGADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000567870469 567284742 /nfs/dbraw/zinc/28/47/42/567284742.db2.gz CLGVTMOWXCAKTD-UHFFFAOYSA-N 2 0 390.325 3.034 20 0 GGADRP Ic1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000591576798 567286499 /nfs/dbraw/zinc/28/64/99/567286499.db2.gz BRYXOQYRJVGHPH-HNNXBMFYSA-N 2 0 386.277 3.094 20 0 GGADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnn2cc(Br)cnc12 ZINC000639177589 567292140 /nfs/dbraw/zinc/29/21/40/567292140.db2.gz VWRDOAQGNYBXSH-UHFFFAOYSA-N 2 0 391.317 3.163 20 0 GGADRP CSC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000591766731 567295304 /nfs/dbraw/zinc/29/53/04/567295304.db2.gz DHOFHEOIMNLOSJ-CYBMUJFWSA-N 2 0 393.380 3.150 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455873601 567316220 /nfs/dbraw/zinc/31/62/20/567316220.db2.gz XZVIFOUHUJXFTH-ZDUSSCGKSA-N 2 0 398.349 3.010 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000568273263 567316921 /nfs/dbraw/zinc/31/69/21/567316921.db2.gz OOGGYHRYWDFLSL-UHFFFAOYSA-N 2 0 382.371 3.391 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1Br)C2 ZINC000660659906 567317227 /nfs/dbraw/zinc/31/72/27/567317227.db2.gz SGBRJOOMRDDDTF-GOSISDBHSA-N 2 0 380.330 3.195 20 0 GGADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000660658567 567317463 /nfs/dbraw/zinc/31/74/63/567317463.db2.gz FBGXNUSKPIIDLA-GOSISDBHSA-N 2 0 380.330 3.195 20 0 GGADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000660658571 567318196 /nfs/dbraw/zinc/31/81/96/567318196.db2.gz FBGXNUSKPIIDLA-SFHVURJKSA-N 2 0 380.330 3.195 20 0 GGADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000592471102 567340490 /nfs/dbraw/zinc/34/04/90/567340490.db2.gz YAOLLPDHDHOIBJ-MPKXVKKWSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000592471103 567342543 /nfs/dbraw/zinc/34/25/43/567342543.db2.gz YAOLLPDHDHOIBJ-SCDSUCTJSA-N 2 0 390.696 3.422 20 0 GGADRP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nn2)cc1Cl ZINC000568628682 567345133 /nfs/dbraw/zinc/34/51/33/567345133.db2.gz VFKLXGDSIFVCPG-KGLIPLIRSA-N 2 0 380.323 3.396 20 0 GGADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749483 567353684 /nfs/dbraw/zinc/35/36/84/567353684.db2.gz YGGZMGCVDCSBBG-MORSLUCNSA-N 2 0 375.314 3.436 20 0 GGADRP COCCC[NH+]1CCC(NCc2ccc(Br)c(F)c2F)CC1 ZINC000527652785 567356319 /nfs/dbraw/zinc/35/63/19/567356319.db2.gz LDGILVCLZBHZEG-UHFFFAOYSA-N 2 0 377.273 3.318 20 0 GGADRP Fc1cc(Br)cnc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000527681429 567360506 /nfs/dbraw/zinc/36/05/06/567360506.db2.gz AMPKDFLDWSHLHO-UHFFFAOYSA-N 2 0 379.277 3.384 20 0 GGADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527719386 567368720 /nfs/dbraw/zinc/36/87/20/567368720.db2.gz VUGZWHRWORRCAS-UHFFFAOYSA-N 2 0 390.316 3.233 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527848839 567378578 /nfs/dbraw/zinc/37/85/78/567378578.db2.gz KDMUVSVGTZKQRO-CYBMUJFWSA-N 2 0 390.316 3.406 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527846315 567378716 /nfs/dbraw/zinc/37/87/16/567378716.db2.gz LFPXHQWPNHSGPT-LBPRGKRZSA-N 2 0 376.289 3.015 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1cc(F)c(Br)cc1F)N1CC[NH+](C)CC1 ZINC000527859698 567379556 /nfs/dbraw/zinc/37/95/56/567379556.db2.gz RPHIFTSNXPKWCA-VXGBXAGGSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@H](C[NH2+][C@H](C)c1cc(F)c(Br)cc1F)CN1CC[NH+](C)CC1 ZINC000527860830 567379601 /nfs/dbraw/zinc/37/96/01/567379601.db2.gz YMOHENNWQJHFLY-CHWSQXEVSA-N 2 0 390.316 3.261 20 0 GGADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527850109 567380119 /nfs/dbraw/zinc/38/01/19/567380119.db2.gz NPIQBAANVHOBCO-LBPRGKRZSA-N 2 0 390.316 3.404 20 0 GGADRP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)N1CC[NH+](C)CC1 ZINC000527859697 567380625 /nfs/dbraw/zinc/38/06/25/567380625.db2.gz RPHIFTSNXPKWCA-RYUDHWBXSA-N 2 0 376.289 3.014 20 0 GGADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)c(Br)cc1F ZINC000527898310 567383456 /nfs/dbraw/zinc/38/34/56/567383456.db2.gz XIYAWTMRBKULDM-LBPRGKRZSA-N 2 0 390.316 3.404 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501402477 567385889 /nfs/dbraw/zinc/38/58/89/567385889.db2.gz ZVJLRZGJTFQQKD-UHFFFAOYSA-N 2 0 390.316 3.091 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000661644016 567386147 /nfs/dbraw/zinc/38/61/47/567386147.db2.gz RBNFQWCCKSZFLZ-SFHVURJKSA-N 2 0 388.383 3.375 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733994 567407617 /nfs/dbraw/zinc/40/76/17/567407617.db2.gz RFYSDUVXGGASIU-GOSISDBHSA-N 2 0 394.401 3.170 20 0 GGADRP O=C(NC[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000662263750 567422165 /nfs/dbraw/zinc/42/21/65/567422165.db2.gz DSNZEOXRMNVBMH-MAUKXSAKSA-N 2 0 381.973 3.012 20 0 GGADRP O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662290119 567424624 /nfs/dbraw/zinc/42/46/24/567424624.db2.gz KJGHVYQLCZMCKN-OAHLLOKOSA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000662292990 567426080 /nfs/dbraw/zinc/42/60/80/567426080.db2.gz QAGUAMQBWKOFDN-INIZCTEOSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662294401 567426143 /nfs/dbraw/zinc/42/61/43/567426143.db2.gz VUKXGIFJGGDDBU-INIZCTEOSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662426476 567435085 /nfs/dbraw/zinc/43/50/85/567435085.db2.gz RWWURNBWWFQQRC-AWEZNQCLSA-N 2 0 375.563 3.097 20 0 GGADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083235 567437794 /nfs/dbraw/zinc/43/77/94/567437794.db2.gz JKBKFQMWXDTMGY-UHFFFAOYSA-N 2 0 377.476 3.299 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662504425 567443080 /nfs/dbraw/zinc/44/30/80/567443080.db2.gz GNYWRFAOHGATQI-UHFFFAOYSA-N 2 0 377.941 3.251 20 0 GGADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000569924147 567444640 /nfs/dbraw/zinc/44/46/40/567444640.db2.gz RVHGIFVCJOLWCM-DNVCBOLYSA-N 2 0 384.351 3.273 20 0 GGADRP C[C@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000662667679 567455697 /nfs/dbraw/zinc/45/56/97/567455697.db2.gz CIVLOFKBFMQORY-VQIMIIECSA-N 2 0 394.357 3.146 20 0 GGADRP Brc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000570212295 567466472 /nfs/dbraw/zinc/46/64/72/567466472.db2.gz MPOWIBJGPXZCLV-OAHLLOKOSA-N 2 0 381.314 3.042 20 0 GGADRP Brc1ccc2nccc(NCc3ccnc(N4CCOCC4)c3)c2c1 ZINC000503576858 567495507 /nfs/dbraw/zinc/49/55/07/567495507.db2.gz SQHBWXHPKHKXRV-UHFFFAOYSA-N 2 0 399.292 3.263 20 0 GGADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062323 567498882 /nfs/dbraw/zinc/49/88/82/567498882.db2.gz OUNHYFLXGXDMCW-LJQANCHMSA-N 2 0 380.374 3.444 20 0 GGADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000479058712 567499421 /nfs/dbraw/zinc/49/94/21/567499421.db2.gz JUONCWJMRAAZEE-KBXCAEBGSA-N 2 0 380.374 3.397 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479061473 567499529 /nfs/dbraw/zinc/49/95/29/567499529.db2.gz NTLUCUHDBMJBTB-YJBOKZPZSA-N 2 0 394.357 3.004 20 0 GGADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000479073522 567500677 /nfs/dbraw/zinc/50/06/77/567500677.db2.gz XOQHFIDZPFZWDQ-DNVCBOLYSA-N 2 0 380.374 3.300 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503900193 567510807 /nfs/dbraw/zinc/51/08/07/567510807.db2.gz DENQIBSUNAAYDM-YGRLFVJLSA-N 2 0 378.685 3.374 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503900192 567511215 /nfs/dbraw/zinc/51/12/15/567511215.db2.gz DENQIBSUNAAYDM-QMTHXVAHSA-N 2 0 378.685 3.374 20 0 GGADRP COCC1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000643531114 567512151 /nfs/dbraw/zinc/51/21/51/567512151.db2.gz UKKILQNFITUPGJ-ROUUACIJSA-N 2 0 397.357 3.275 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479339323 567526654 /nfs/dbraw/zinc/52/66/54/567526654.db2.gz XNXFVXXJBIJAND-LJQANCHMSA-N 2 0 380.374 3.442 20 0 GGADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008522 567533954 /nfs/dbraw/zinc/53/39/54/567533954.db2.gz UTWRFRZZEJBLGD-YVEFUNNKSA-N 2 0 382.289 3.352 20 0 GGADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479451591 567536521 /nfs/dbraw/zinc/53/65/21/567536521.db2.gz KIUKZZWUODZYNY-BEFAXECRSA-N 2 0 380.374 3.442 20 0 GGADRP O=C(Nc1ccccc1Br)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479674232 567552999 /nfs/dbraw/zinc/55/29/99/567552999.db2.gz HOIZXDTYEQNSKZ-UHFFFAOYSA-N 2 0 394.357 3.489 20 0 GGADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)COCc1cccs1 ZINC000644532491 567556954 /nfs/dbraw/zinc/55/69/54/567556954.db2.gz WAWHAXRMFFCTFZ-QGZVFWFLSA-N 2 0 380.579 3.189 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644588776 567561860 /nfs/dbraw/zinc/56/18/60/567561860.db2.gz UBQNWKYCSQRVAV-CABCVRRESA-N 2 0 375.340 3.301 20 0 GGADRP C[C@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000644621029 567565033 /nfs/dbraw/zinc/56/50/33/567565033.db2.gz NULYSOSDCLYUII-WBVHZDCISA-N 2 0 385.346 3.043 20 0 GGADRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000644621026 567565049 /nfs/dbraw/zinc/56/50/49/567565049.db2.gz NULYSOSDCLYUII-DOTOQJQBSA-N 2 0 385.346 3.043 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571514451 567568141 /nfs/dbraw/zinc/56/81/41/567568141.db2.gz ITRMKHUDKLSKLH-UMPJEAMMSA-N 2 0 380.330 3.144 20 0 GGADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000552276015 567572925 /nfs/dbraw/zinc/57/29/25/567572925.db2.gz HYQYJJMQGJXRQX-UHFFFAOYSA-N 2 0 396.373 3.248 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1C ZINC000505791554 567596784 /nfs/dbraw/zinc/59/67/84/567596784.db2.gz YFSDJYIBNNHUBM-KRWDZBQOSA-N 2 0 396.373 3.246 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789903 567597210 /nfs/dbraw/zinc/59/72/10/567597210.db2.gz NOKDDQXBTLHXSN-KRWDZBQOSA-N 2 0 386.367 3.410 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155426 567608242 /nfs/dbraw/zinc/60/82/42/567608242.db2.gz VPKKIEIOESISCV-IAGOWNOFSA-N 2 0 392.385 3.065 20 0 GGADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155412 567608895 /nfs/dbraw/zinc/60/88/95/567608895.db2.gz VPKKIEIOESISCV-DLBZAZTESA-N 2 0 392.385 3.065 20 0 GGADRP Brc1cccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459372384 567619138 /nfs/dbraw/zinc/61/91/38/567619138.db2.gz KVKBMMJNPPCZRV-UHFFFAOYSA-N 2 0 376.298 3.482 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645515962 567636414 /nfs/dbraw/zinc/63/64/14/567636414.db2.gz GCRHQBUYYJJYDH-HNAYVOBHSA-N 2 0 396.373 3.251 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459693293 567652153 /nfs/dbraw/zinc/65/21/53/567652153.db2.gz HVASUNKVDTVEFP-YEWWUXTCSA-N 2 0 387.337 3.059 20 0 GGADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730182 567656431 /nfs/dbraw/zinc/65/64/31/567656431.db2.gz JXUQTHIIRSCQOA-CQSZACIVSA-N 2 0 383.330 3.432 20 0 GGADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000459790987 567660388 /nfs/dbraw/zinc/66/03/88/567660388.db2.gz RILSTBBXQZPBSW-NSHDSACASA-N 2 0 391.151 3.428 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)c(Cl)s2)CC1(C)C ZINC000441334979 567661308 /nfs/dbraw/zinc/66/13/08/567661308.db2.gz PCTLVNUFNAHQEB-UHFFFAOYSA-N 2 0 380.783 3.280 20 0 GGADRP CCCOc1ccc(Br)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441371050 567662713 /nfs/dbraw/zinc/66/27/13/567662713.db2.gz ZMPWEZRMRHESEE-UHFFFAOYSA-N 2 0 398.389 3.354 20 0 GGADRP COc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000572768401 567664860 /nfs/dbraw/zinc/66/48/60/567664860.db2.gz JCTKLPMDHNJXEO-KXBFYZLASA-N 2 0 398.389 3.380 20 0 GGADRP C[C@@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cccc(Br)c1 ZINC000572787764 567665627 /nfs/dbraw/zinc/66/56/27/567665627.db2.gz ZSLVFRDRKWFLKR-INIZCTEOSA-N 2 0 396.373 3.134 20 0 GGADRP C[C@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cccc(Br)c1 ZINC000572787765 567666344 /nfs/dbraw/zinc/66/63/44/567666344.db2.gz ZSLVFRDRKWFLKR-MRXNPFEDSA-N 2 0 396.373 3.134 20 0 GGADRP CSc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000531610403 567669194 /nfs/dbraw/zinc/66/91/94/567669194.db2.gz SIENIXVURMCOMZ-UHFFFAOYSA-N 2 0 387.387 3.496 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4cc(Br)ccc4o3)C2)CC1 ZINC000597002785 567669760 /nfs/dbraw/zinc/66/97/60/567669760.db2.gz IJBUUMIEIGZECU-QGZVFWFLSA-N 2 0 392.341 3.407 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447609 567680298 /nfs/dbraw/zinc/68/02/98/567680298.db2.gz XOGPGFIGBHFLKD-AWEZNQCLSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447610 567680928 /nfs/dbraw/zinc/68/09/28/567680928.db2.gz XOGPGFIGBHFLKD-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507487331 567681906 /nfs/dbraw/zinc/68/19/06/567681906.db2.gz WKKYECDBBQDEEA-CQSZACIVSA-N 2 0 382.346 3.488 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000666544333 567683829 /nfs/dbraw/zinc/68/38/29/567683829.db2.gz CJAFHTUGBNYOMR-UHFFFAOYSA-N 2 0 389.371 3.408 20 0 GGADRP C[C@@H](C[NH2+]Cc1csc2c1cccc2Br)N1CC[NH+](C)CC1 ZINC000573103981 567688129 /nfs/dbraw/zinc/68/81/29/567688129.db2.gz IQQQTCNBCSUVQF-ZDUSSCGKSA-N 2 0 382.371 3.389 20 0 GGADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CCO2 ZINC000646104758 567695254 /nfs/dbraw/zinc/69/52/54/567695254.db2.gz MWLAOEQSQSDONR-UHFFFAOYSA-N 2 0 386.323 3.119 20 0 GGADRP Brc1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)s1 ZINC000573207342 567696811 /nfs/dbraw/zinc/69/68/11/567696811.db2.gz NQVJDVHDXVPOGD-RYUDHWBXSA-N 2 0 397.342 3.382 20 0 GGADRP C[N@@H+]1CCN(CC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1(C)C ZINC000442869352 567714962 /nfs/dbraw/zinc/71/49/62/567714962.db2.gz PMQXDEYPUIEQOF-UHFFFAOYSA-N 2 0 380.374 3.311 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995107 567716731 /nfs/dbraw/zinc/71/67/31/567716731.db2.gz DKAPXLFLSAWQEZ-CZUORRHYSA-N 2 0 380.330 3.431 20 0 GGADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995108 567717027 /nfs/dbraw/zinc/71/70/27/567717027.db2.gz DKAPXLFLSAWQEZ-XJKSGUPXSA-N 2 0 380.330 3.431 20 0 GGADRP CC(C)[NH+]1CCC(N2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000532741121 567732194 /nfs/dbraw/zinc/73/21/94/567732194.db2.gz GUHWBGLLNDPZSA-UHFFFAOYSA-N 2 0 380.374 3.440 20 0 GGADRP CC1CC[NH+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000554597338 567737245 /nfs/dbraw/zinc/73/72/45/567737245.db2.gz DLQRMUGEYQJOBW-UHFFFAOYSA-N 2 0 382.346 3.489 20 0 GGADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121223 567760462 /nfs/dbraw/zinc/76/04/62/567760462.db2.gz QFPJQJPQYNMWFY-CABCVRRESA-N 2 0 382.346 3.488 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462047690 567762052 /nfs/dbraw/zinc/76/20/52/567762052.db2.gz BHZXJZHGKVQHLK-OAHLLOKOSA-N 2 0 386.993 3.304 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462047686 567762570 /nfs/dbraw/zinc/76/25/70/567762570.db2.gz BHZXJZHGKVQHLK-HNNXBMFYSA-N 2 0 386.993 3.304 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000462114289 567774723 /nfs/dbraw/zinc/77/47/23/567774723.db2.gz ASJHCKYQIRZPCG-GOSISDBHSA-N 2 0 381.358 3.131 20 0 GGADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555563573 567789168 /nfs/dbraw/zinc/78/91/68/567789168.db2.gz LZBQNMGYQFMPAV-INIZCTEOSA-N 2 0 381.358 3.131 20 0 GGADRP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647542958 567790890 /nfs/dbraw/zinc/79/08/90/567790890.db2.gz FGGMNZIRFXSIBV-KGLIPLIRSA-N 2 0 383.330 3.375 20 0 GGADRP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647552198 567791078 /nfs/dbraw/zinc/79/10/78/567791078.db2.gz MDKFLGIVDWOORU-ABSDTBQOSA-N 2 0 392.385 3.391 20 0 GGADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000574724336 567793743 /nfs/dbraw/zinc/79/37/43/567793743.db2.gz JFOPHXPBZKLPLI-FQEVSTJZSA-N 2 0 394.401 3.387 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2cc(Br)ccc2o1 ZINC000668163021 567799129 /nfs/dbraw/zinc/79/91/29/567799129.db2.gz PIHOXBIAFWVAMQ-UHFFFAOYSA-N 2 0 380.330 3.265 20 0 GGADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(Br)c2C)CC[NH2+]CC1 ZINC000574824183 567799312 /nfs/dbraw/zinc/79/93/12/567799312.db2.gz ZCRSAETWYMVYMF-AWEZNQCLSA-N 2 0 383.330 3.169 20 0 GGADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(Br)c2C)CC[NH2+]CC1 ZINC000574824184 567799346 /nfs/dbraw/zinc/79/93/46/567799346.db2.gz ZCRSAETWYMVYMF-CQSZACIVSA-N 2 0 383.330 3.169 20 0 GGADRP Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647790292 567800716 /nfs/dbraw/zinc/80/07/16/567800716.db2.gz VQSBFLRRISPGTL-YFHUEUNASA-N 2 0 378.358 3.253 20 0 GGADRP Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647790291 567801028 /nfs/dbraw/zinc/80/10/28/567801028.db2.gz VQSBFLRRISPGTL-XLMAVXFVSA-N 2 0 378.358 3.253 20 0 GGADRP Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791661 567801637 /nfs/dbraw/zinc/80/16/37/567801637.db2.gz JTIIEMBMAUPJGG-MUQADHOPSA-N 2 0 378.358 3.253 20 0 GGADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000647795202 567801815 /nfs/dbraw/zinc/80/18/15/567801815.db2.gz JYWPPGIWZDGGHH-YOKBYHGQSA-N 2 0 382.335 3.467 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000574912203 567803983 /nfs/dbraw/zinc/80/39/83/567803983.db2.gz UMPJRAYTGPDBEL-MRXNPFEDSA-N 2 0 375.340 3.443 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000574912202 567804051 /nfs/dbraw/zinc/80/40/51/567804051.db2.gz UMPJRAYTGPDBEL-INIZCTEOSA-N 2 0 375.340 3.443 20 0 GGADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000647970004 567808319 /nfs/dbraw/zinc/80/83/19/567808319.db2.gz OCCZTYZQKPNEQN-CQSZACIVSA-N 2 0 383.330 3.288 20 0 GGADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000647975223 567808645 /nfs/dbraw/zinc/80/86/45/567808645.db2.gz RFHBYCGQIMLKBX-CABCVRRESA-N 2 0 380.330 3.099 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000647977907 567808762 /nfs/dbraw/zinc/80/87/62/567808762.db2.gz JQJHGJIBDWUNGU-JKSUJKDBSA-N 2 0 394.357 3.489 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Br)c1 ZINC000647977905 567809231 /nfs/dbraw/zinc/80/92/31/567809231.db2.gz JQJHGJIBDWUNGU-HOTGVXAUSA-N 2 0 394.357 3.489 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736829055 598509509 /nfs/dbraw/zinc/50/95/09/598509509.db2.gz VURCHODSTYDUFY-UHFFFAOYSA-N 2 0 376.508 3.211 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736828981 598509974 /nfs/dbraw/zinc/50/99/74/598509974.db2.gz UCADZAQVPRKLRM-UHFFFAOYSA-N 2 0 376.508 3.211 20 0 GGADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC[N@@H+]1C ZINC000820667474 599449235 /nfs/dbraw/zinc/44/92/35/599449235.db2.gz MOTIRCFGLIHBOH-OXQOHEQNSA-N 2 0 392.507 3.018 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833614397 605218871 /nfs/dbraw/zinc/21/88/71/605218871.db2.gz LZAODAYSCDQJME-IBGZPJMESA-N 2 0 387.568 3.337 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000833615328 605219469 /nfs/dbraw/zinc/21/94/69/605219469.db2.gz MQYIVGBGBZMLJN-IBGZPJMESA-N 2 0 387.568 3.480 20 0 GGADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612628 605219580 /nfs/dbraw/zinc/21/95/80/605219580.db2.gz AXKUEXHCWBAVGI-IBGZPJMESA-N 2 0 387.568 3.337 20 0 GGADRP O=C([O-])CCC[NH+]1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000833774065 605223266 /nfs/dbraw/zinc/22/32/66/605223266.db2.gz WREDTSIPRMFQPW-UHFFFAOYSA-N 2 0 387.568 3.481 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C1 ZINC000820709190 606211308 /nfs/dbraw/zinc/21/13/08/606211308.db2.gz FUHLJHNRDQIFBR-OAHLLOKOSA-N 2 0 382.537 3.450 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820759385 606742000 /nfs/dbraw/zinc/74/20/00/606742000.db2.gz KRICZVVOBGYGNL-LFUKPOHLSA-N 2 0 376.508 3.113 20 0 GGADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625013 607104328 /nfs/dbraw/zinc/10/43/28/607104328.db2.gz CNUPJYVUVFDMRR-KNQAVFIVSA-N 2 0 388.519 3.450 20 0 GGADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882898 607812423 /nfs/dbraw/zinc/81/24/23/607812423.db2.gz DFQBDKJKLAEPIT-XLIONFOSSA-N 2 0 376.508 3.257 20 0 GGADRP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1-c1nn[nH]n1 ZINC000826521797 608135117 /nfs/dbraw/zinc/13/51/17/608135117.db2.gz YXUUOYIQCNXGII-VDGAXYAQSA-N 2 0 394.548 3.319 20 0 GGADRP c1sc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1-c1nn[nH]n1 ZINC000826521794 608135390 /nfs/dbraw/zinc/13/53/90/608135390.db2.gz YXUUOYIQCNXGII-DBVUQKKJSA-N 2 0 394.548 3.319 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000825918747 608207568 /nfs/dbraw/zinc/20/75/68/608207568.db2.gz LKWBJPKGOFFKKJ-UHFFFAOYSA-N 2 0 395.486 3.139 20 0 GGADRP CC[N@H+](CCC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419199 608211875 /nfs/dbraw/zinc/21/18/75/608211875.db2.gz KOJOWDYKCLLKAU-UHFFFAOYSA-N 2 0 398.555 3.080 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825980516 608675528 /nfs/dbraw/zinc/67/55/28/608675528.db2.gz BZEPRCLECPAMLU-UHFFFAOYSA-N 2 0 382.537 3.272 20 0 GGADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053753186 1406503494 /nfs/dbraw/zinc/50/34/94/1406503494.db2.gz DJTYYOCMFZVOIW-LJQANCHMSA-N 2 0 386.584 3.461 20 0 GGADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000053751237 1406503582 /nfs/dbraw/zinc/50/35/82/1406503582.db2.gz BVOKOUCYFABHDB-UHFFFAOYSA-N 2 0 380.536 3.082 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000054511673 1406757419 /nfs/dbraw/zinc/75/74/19/1406757419.db2.gz MWYCOEUZXJHUOX-SIKLNZKXSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000054720620 1406813035 /nfs/dbraw/zinc/81/30/35/1406813035.db2.gz ZDHBVNLWLZRABM-FPOVZHCZSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000054720575 1406813073 /nfs/dbraw/zinc/81/30/73/1406813073.db2.gz IXJRVPZRXBVAQW-GCJKJVERSA-N 2 0 380.536 3.383 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054764651 1406820758 /nfs/dbraw/zinc/82/07/58/1406820758.db2.gz MUBDMRUYFMTOMX-UHFFFAOYSA-N 2 0 382.552 3.458 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000007241765 1398638545 /nfs/dbraw/zinc/63/85/45/1398638545.db2.gz FZIPBWQDZXENID-VQTJNVASSA-N 2 0 384.568 3.279 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000029655003 1400330019 /nfs/dbraw/zinc/33/00/19/1400330019.db2.gz WCWKUCCLWVLIKI-UHFFFAOYSA-N 2 0 389.547 3.293 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000029691228 1400336853 /nfs/dbraw/zinc/33/68/53/1400336853.db2.gz HCZNBJCPXWJTMC-KRWDZBQOSA-N 2 0 396.535 3.005 20 0 GGADRP CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000029913450 1400377253 /nfs/dbraw/zinc/37/72/53/1400377253.db2.gz VVNVJGJWWRQFNA-UHFFFAOYSA-N 2 0 392.547 3.432 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC000056341982 1407304880 /nfs/dbraw/zinc/30/48/80/1407304880.db2.gz XERAYVPNFZKTON-BGYRXZFFSA-N 2 0 390.478 3.170 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000056343098 1407305604 /nfs/dbraw/zinc/30/56/04/1407305604.db2.gz UJKIMIGOLWBCDN-UHFFFAOYSA-N 2 0 398.551 3.326 20 0 GGADRP CC1(C)CC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC(C)(C)[NH2+]1 ZINC000042910356 1403672878 /nfs/dbraw/zinc/67/28/78/1403672878.db2.gz KZMALWBOBPWFCR-KRWDZBQOSA-N 2 0 376.545 3.415 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929609 1403674840 /nfs/dbraw/zinc/67/48/40/1403674840.db2.gz OYABFHVKNCKBPI-PMACEKPBSA-N 2 0 386.584 3.318 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000043136551 1403713832 /nfs/dbraw/zinc/71/38/32/1403713832.db2.gz AFVGTODWHMKWFW-LJQANCHMSA-N 2 0 376.545 3.226 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043135862 1403713861 /nfs/dbraw/zinc/71/38/61/1403713861.db2.gz FRKDQIMNPMGXPU-HXUWFJFHSA-N 2 0 388.556 3.467 20 0 GGADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167140 1403723296 /nfs/dbraw/zinc/72/32/96/1403723296.db2.gz IAXYZHLUZBLJQA-OAQYLSRUSA-N 2 0 398.551 3.232 20 0 GGADRP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523240 1407352603 /nfs/dbraw/zinc/35/26/03/1407352603.db2.gz ASYCMJAUCCBLHL-KRWDZBQOSA-N 2 0 389.540 3.243 20 0 GGADRP COc1ccc([C@H](NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000056524440 1407353435 /nfs/dbraw/zinc/35/34/35/1407353435.db2.gz HRJGRIQPMOYAFQ-JOCHJYFZSA-N 2 0 375.557 3.172 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000043491125 1403773415 /nfs/dbraw/zinc/77/34/15/1403773415.db2.gz DSOTWKZUNUWEHG-UHFFFAOYSA-N 2 0 387.572 3.134 20 0 GGADRP CCC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000056551806 1407358550 /nfs/dbraw/zinc/35/85/50/1407358550.db2.gz MKNOUWZNNZECDA-UHFFFAOYSA-N 2 0 393.963 3.088 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000056562978 1407362795 /nfs/dbraw/zinc/36/27/95/1407362795.db2.gz NKJGRAUWNXTPFH-IBGZPJMESA-N 2 0 387.572 3.133 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=S)NCCC[NH+](C)C)cc2)C1 ZINC000044152576 1403889057 /nfs/dbraw/zinc/88/90/57/1403889057.db2.gz OIFULMDQVNENSR-QZTJIDSGSA-N 2 0 376.614 3.080 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045031555 1404040358 /nfs/dbraw/zinc/04/03/58/1404040358.db2.gz HELISSMMVFBQEQ-UHFFFAOYSA-N 2 0 394.563 3.424 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000045042305 1404043221 /nfs/dbraw/zinc/04/32/21/1404043221.db2.gz KCMUSEPVFAXSLP-UHFFFAOYSA-N 2 0 392.547 3.140 20 0 GGADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000045410518 1404116883 /nfs/dbraw/zinc/11/68/83/1404116883.db2.gz MDFAETYHIMUFHX-UHFFFAOYSA-N 2 0 392.547 3.294 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)CC(C)C ZINC000045537917 1404141759 /nfs/dbraw/zinc/14/17/59/1404141759.db2.gz OBBUIIPGRHLVAH-NRFANRHFSA-N 2 0 389.588 3.102 20 0 GGADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754779 1404194714 /nfs/dbraw/zinc/19/47/14/1404194714.db2.gz TWMRFCCIZCVCBC-UHFFFAOYSA-N 2 0 389.588 3.055 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000045777487 1404201053 /nfs/dbraw/zinc/20/10/53/1404201053.db2.gz PLSXILHOYLJRBZ-FGZHOGPDSA-N 2 0 384.568 3.345 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045975945 1404257945 /nfs/dbraw/zinc/25/79/45/1404257945.db2.gz URRLNWFKAFCRRM-RBUKOAKNSA-N 2 0 387.572 3.131 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)[NH+]2CCCC2)cc1 ZINC000047748202 1404919537 /nfs/dbraw/zinc/91/95/37/1404919537.db2.gz XWAMXXTVUQRJPF-HXUWFJFHSA-N 2 0 388.556 3.006 20 0 GGADRP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000047793483 1404947872 /nfs/dbraw/zinc/94/78/72/1404947872.db2.gz CEYGFXDAWRRJMI-NRFANRHFSA-N 2 0 388.556 3.006 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000047871726 1404979335 /nfs/dbraw/zinc/97/93/35/1404979335.db2.gz APVKMQQCWUWHJI-QRVBRYPASA-N 2 0 376.545 3.084 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000047882917 1404982311 /nfs/dbraw/zinc/98/23/11/1404982311.db2.gz AROLMOBYAYORHM-GHTZIAJQSA-N 2 0 396.535 3.163 20 0 GGADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000047973596 1405013830 /nfs/dbraw/zinc/01/38/30/1405013830.db2.gz QSMUJRUPISMROQ-UHFFFAOYSA-N 2 0 387.568 3.240 20 0 GGADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047987978 1405019479 /nfs/dbraw/zinc/01/94/79/1405019479.db2.gz YPQOFYREVBBUBL-HXUWFJFHSA-N 2 0 390.959 3.403 20 0 GGADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047987980 1405020074 /nfs/dbraw/zinc/02/00/74/1405020074.db2.gz YPQOFYREVBBUBL-FQEVSTJZSA-N 2 0 390.959 3.403 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000048059324 1405037477 /nfs/dbraw/zinc/03/74/77/1405037477.db2.gz YYPQLUCWCUTPTL-UHFFFAOYSA-N 2 0 387.572 3.023 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048230026 1405106357 /nfs/dbraw/zinc/10/63/57/1405106357.db2.gz PBEBBLHOAYKSFK-HDICACEKSA-N 2 0 386.496 3.146 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048230029 1405107445 /nfs/dbraw/zinc/10/74/45/1405107445.db2.gz PBEBBLHOAYKSFK-ROUUACIJSA-N 2 0 386.496 3.146 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000048283185 1405127112 /nfs/dbraw/zinc/12/71/12/1405127112.db2.gz NGDFFUPCIOJCDV-NRFANRHFSA-N 2 0 388.556 3.004 20 0 GGADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395057 1405177412 /nfs/dbraw/zinc/17/74/12/1405177412.db2.gz CRXHSKXVJHOJFI-FQEVSTJZSA-N 2 0 390.959 3.403 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000048710059 1405264045 /nfs/dbraw/zinc/26/40/45/1405264045.db2.gz SFVFMHZQIVETAD-UHFFFAOYSA-N 2 0 376.884 3.341 20 0 GGADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000048717291 1405267025 /nfs/dbraw/zinc/26/70/25/1405267025.db2.gz YFELIMYXWYCHRB-UHFFFAOYSA-N 2 0 380.492 3.316 20 0 GGADRP CC(=O)Nc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000048745826 1405280179 /nfs/dbraw/zinc/28/01/79/1405280179.db2.gz DEWCCMRCZCWHQA-UHFFFAOYSA-N 2 0 394.563 3.333 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050136864 1405496477 /nfs/dbraw/zinc/49/64/77/1405496477.db2.gz HNHQGEJQSSYMQI-IBGZPJMESA-N 2 0 392.613 3.333 20 0 GGADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000050137028 1405496840 /nfs/dbraw/zinc/49/68/40/1405496840.db2.gz DIVVDUIEOLAJDZ-GOSISDBHSA-N 2 0 390.597 3.230 20 0 GGADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000050136839 1405497566 /nfs/dbraw/zinc/49/75/66/1405497566.db2.gz ITXYHNFLDMUHPL-MSOLQXFVSA-N 2 0 378.586 3.134 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC000051189659 1405741205 /nfs/dbraw/zinc/74/12/05/1405741205.db2.gz XQWKPGCCGOFUFS-UHFFFAOYSA-N 2 0 387.959 3.174 20 0 GGADRP C[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000052000424 1405895610 /nfs/dbraw/zinc/89/56/10/1405895610.db2.gz LWHHQQROFJCMNQ-UHFFFAOYSA-N 2 0 383.511 3.081 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000052208713 1405983082 /nfs/dbraw/zinc/98/30/82/1405983082.db2.gz DOWPCILBDGTBCX-UHFFFAOYSA-N 2 0 393.547 3.237 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)CC1 ZINC000052458224 1406056846 /nfs/dbraw/zinc/05/68/46/1406056846.db2.gz KRQCUUSFCVMHGF-UHFFFAOYSA-N 2 0 382.552 3.256 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000056793116 1407434705 /nfs/dbraw/zinc/43/47/05/1407434705.db2.gz ABZDKVWAHFTLNK-GOSISDBHSA-N 2 0 392.544 3.263 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000056793117 1407434882 /nfs/dbraw/zinc/43/48/82/1407434882.db2.gz ZRXCDDPIJAAEHQ-KRWDZBQOSA-N 2 0 378.542 3.026 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000056933682 1407477005 /nfs/dbraw/zinc/47/70/05/1407477005.db2.gz JYFCQBZJSBKEFQ-HXUWFJFHSA-N 2 0 388.556 3.007 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000056950314 1407482528 /nfs/dbraw/zinc/48/25/28/1407482528.db2.gz PLYMIBBMECSCOU-RTWAWAEBSA-N 2 0 384.499 3.002 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000057043491 1407507540 /nfs/dbraw/zinc/50/75/40/1407507540.db2.gz PEYMLQFHNLVAQC-IBGZPJMESA-N 2 0 386.584 3.381 20 0 GGADRP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000057043176 1407507769 /nfs/dbraw/zinc/50/77/69/1407507769.db2.gz FJTBBXAASGQFGT-RBUKOAKNSA-N 2 0 376.545 3.228 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057123970 1407527922 /nfs/dbraw/zinc/52/79/22/1407527922.db2.gz XZCRPIYUQOKYMB-OAQYLSRUSA-N 2 0 381.520 3.445 20 0 GGADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000057127921 1407530370 /nfs/dbraw/zinc/53/03/70/1407530370.db2.gz IOCYEWHRXJFQQZ-GGAORHGYSA-N 2 0 395.547 3.326 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000057166100 1407540611 /nfs/dbraw/zinc/54/06/11/1407540611.db2.gz DPZKGLDZBIGCKH-WIYYLYMNSA-N 2 0 388.556 3.006 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057167492 1407541602 /nfs/dbraw/zinc/54/16/02/1407541602.db2.gz KJRMCWBFOLGDMY-UHFFFAOYSA-N 2 0 380.536 3.318 20 0 GGADRP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000057168958 1407542075 /nfs/dbraw/zinc/54/20/75/1407542075.db2.gz XYJACDUIWWXIPG-HXUWFJFHSA-N 2 0 391.559 3.462 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000057173084 1407544393 /nfs/dbraw/zinc/54/43/93/1407544393.db2.gz FZDAHISMLKGFGB-PMACEKPBSA-N 2 0 381.564 3.126 20 0 GGADRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000057172649 1407544460 /nfs/dbraw/zinc/54/44/60/1407544460.db2.gz MKBWZHIASPYNKI-WOJBJXKFSA-N 2 0 381.564 3.126 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057174352 1407545343 /nfs/dbraw/zinc/54/53/43/1407545343.db2.gz ZPMNMWKWFVOQDT-OAQYLSRUSA-N 2 0 392.547 3.074 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057174351 1407545466 /nfs/dbraw/zinc/54/54/66/1407545466.db2.gz ZPMNMWKWFVOQDT-NRFANRHFSA-N 2 0 392.547 3.074 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057175532 1407546048 /nfs/dbraw/zinc/54/60/48/1407546048.db2.gz WQIIEZIBXOTFTP-UHFFFAOYSA-N 2 0 392.547 3.074 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000057466579 1407628496 /nfs/dbraw/zinc/62/84/96/1407628496.db2.gz JEETZZWVZGLMJX-UHFFFAOYSA-N 2 0 390.547 3.402 20 0 GGADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000057508128 1407640115 /nfs/dbraw/zinc/64/01/15/1407640115.db2.gz XHDXRIVZWBCYIL-UHFFFAOYSA-N 2 0 378.536 3.208 20 0 GGADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000057631349 1407670837 /nfs/dbraw/zinc/67/08/37/1407670837.db2.gz KPUONSDMYWAEKG-NRFANRHFSA-N 2 0 386.584 3.414 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000057843759 1407735675 /nfs/dbraw/zinc/73/56/75/1407735675.db2.gz GEUJZMNWEQMIAB-UHFFFAOYSA-N 2 0 391.559 3.415 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000057843958 1407736090 /nfs/dbraw/zinc/73/60/90/1407736090.db2.gz QMGGZKPEZOHMPK-UHFFFAOYSA-N 2 0 383.511 3.286 20 0 GGADRP COc1ccc(COC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889638 1407747562 /nfs/dbraw/zinc/74/75/62/1407747562.db2.gz MZUGRSRQDMZQJN-QFIPXVFZSA-N 2 0 390.568 3.161 20 0 GGADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000057890604 1407748176 /nfs/dbraw/zinc/74/81/76/1407748176.db2.gz JRQTTYAGQCYKQB-UHFFFAOYSA-N 2 0 387.524 3.332 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000057974067 1407763055 /nfs/dbraw/zinc/76/30/55/1407763055.db2.gz LMIKHTFQGZRABQ-LJQANCHMSA-N 2 0 398.425 3.349 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000058231475 1407800642 /nfs/dbraw/zinc/80/06/42/1407800642.db2.gz PNRSZTUICOZWDV-RTBURBONSA-N 2 0 375.557 3.400 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058467316 1407833233 /nfs/dbraw/zinc/83/32/33/1407833233.db2.gz YWTTVHYRHBBMAC-QFIPXVFZSA-N 2 0 380.536 3.253 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000058841123 1407888968 /nfs/dbraw/zinc/88/89/68/1407888968.db2.gz JSQZBIGEERPPDS-UHFFFAOYSA-N 2 0 375.557 3.402 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 ZINC000060368384 1407962575 /nfs/dbraw/zinc/96/25/75/1407962575.db2.gz FMXUJBNVTLNCEO-QZTJIDSGSA-N 2 0 390.524 3.005 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCO4)CC2)c1 ZINC000060974363 1408059217 /nfs/dbraw/zinc/05/92/17/1408059217.db2.gz ZSYGGQBGRXEGRP-UHFFFAOYSA-N 2 0 381.520 3.416 20 0 GGADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000061070304 1408073944 /nfs/dbraw/zinc/07/39/44/1408073944.db2.gz OOJBDNUALWYMAC-UHFFFAOYSA-N 2 0 383.536 3.131 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000061112891 1408078995 /nfs/dbraw/zinc/07/89/95/1408078995.db2.gz OKGKYVAGYSNFTH-MSOLQXFVSA-N 2 0 380.602 3.407 20 0 GGADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000061137020 1408081880 /nfs/dbraw/zinc/08/18/80/1408081880.db2.gz CXGNBBSCLGLIDN-UHFFFAOYSA-N 2 0 386.584 3.162 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061142275 1408082474 /nfs/dbraw/zinc/08/24/74/1408082474.db2.gz WTOKXQQYXDHELD-NHCUHLMSSA-N 2 0 396.535 3.380 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000061195181 1408089542 /nfs/dbraw/zinc/08/95/42/1408089542.db2.gz BNMDWWSTEFAHCQ-PKTZIBPZSA-N 2 0 394.563 3.123 20 0 GGADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000061256077 1408097439 /nfs/dbraw/zinc/09/74/39/1408097439.db2.gz ORNDJUCINVMCAR-XXBNENTESA-N 2 0 392.547 3.007 20 0 GGADRP C[C@@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000061501262 1408138121 /nfs/dbraw/zinc/13/81/21/1408138121.db2.gz NJQNRGJJXKDMHT-FQEVSTJZSA-N 2 0 394.563 3.255 20 0 GGADRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000062253171 1408224994 /nfs/dbraw/zinc/22/49/94/1408224994.db2.gz POISJXLYBLCSLS-GJZGRUSLSA-N 2 0 385.346 3.437 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccco1 ZINC000062428994 1408256376 /nfs/dbraw/zinc/25/63/76/1408256376.db2.gz MQYJFXZEPPCSSL-HXUWFJFHSA-N 2 0 399.539 3.236 20 0 GGADRP S=C(NCCC[NH+]1CCCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145398 1408307276 /nfs/dbraw/zinc/30/72/76/1408307276.db2.gz DMHCFPHUVBANMR-UHFFFAOYSA-N 2 0 388.625 3.381 20 0 GGADRP CC1CC[NH+](CCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063145350 1408307362 /nfs/dbraw/zinc/30/73/62/1408307362.db2.gz PDUHYOXJZPBFSR-UHFFFAOYSA-N 2 0 388.625 3.237 20 0 GGADRP C[NH+]1CCC(NC(=S)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000063148502 1408308447 /nfs/dbraw/zinc/30/84/47/1408308447.db2.gz NIHFMXNQADBFSL-SFHVURJKSA-N 2 0 380.989 3.035 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000063149358 1408309410 /nfs/dbraw/zinc/30/94/10/1408309410.db2.gz NUKSVVAMGNHEMD-ROUUACIJSA-N 2 0 388.625 3.223 20 0 GGADRP C[N@H+](CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063150782 1408309896 /nfs/dbraw/zinc/30/98/96/1408309896.db2.gz UBYMIABSDLWPTR-UHFFFAOYSA-N 2 0 396.604 3.247 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC000063332518 1408338994 /nfs/dbraw/zinc/33/89/94/1408338994.db2.gz ZVLSSMZDVVIBIS-OAQYLSRUSA-N 2 0 378.605 3.451 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(F)c1 ZINC000063407911 1408349931 /nfs/dbraw/zinc/34/99/31/1408349931.db2.gz JUVPJDKRQGBMGA-OAQYLSRUSA-N 2 0 390.547 3.382 20 0 GGADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)([NH+](C)C)C1 ZINC000063407548 1408350029 /nfs/dbraw/zinc/35/00/29/1408350029.db2.gz NERBKUSVMYBGGZ-PGRDOPGGSA-N 2 0 378.605 3.451 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000063407565 1408350164 /nfs/dbraw/zinc/35/01/64/1408350164.db2.gz KSZJOHDJIVUKCH-NRFANRHFSA-N 2 0 390.547 3.382 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000063711023 1408394972 /nfs/dbraw/zinc/39/49/72/1408394972.db2.gz VZRREPLKXRMFMP-IBGZPJMESA-N 2 0 375.557 3.257 20 0 GGADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000063917526 1408445427 /nfs/dbraw/zinc/44/54/27/1408445427.db2.gz GEWJLUSXUQVZNH-QGZVFWFLSA-N 2 0 384.524 3.070 20 0 GGADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000064251186 1408520935 /nfs/dbraw/zinc/52/09/35/1408520935.db2.gz OHCGHQWXAHUFIU-QZTJIDSGSA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000064644469 1408590075 /nfs/dbraw/zinc/59/00/75/1408590075.db2.gz XWIPVNJGXDIONM-GOSISDBHSA-N 2 0 380.602 3.378 20 0 GGADRP COc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000065353296 1408662727 /nfs/dbraw/zinc/66/27/27/1408662727.db2.gz ZUALPAKLPYGUCS-JOCHJYFZSA-N 2 0 399.579 3.459 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000065441021 1408669236 /nfs/dbraw/zinc/66/92/36/1408669236.db2.gz LRYLRDQEMQMVLP-IFMALSPDSA-N 2 0 386.584 3.489 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000065441325 1408669257 /nfs/dbraw/zinc/66/92/57/1408669257.db2.gz YVGSHISVXPARFL-WOJBJXKFSA-N 2 0 386.584 3.448 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000065441848 1408670145 /nfs/dbraw/zinc/67/01/45/1408670145.db2.gz WSDHHDABRSGFPJ-GOSISDBHSA-N 2 0 392.975 3.334 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC000065468451 1408673490 /nfs/dbraw/zinc/67/34/90/1408673490.db2.gz UWUFKUYDWJWIAX-NRFANRHFSA-N 2 0 386.540 3.273 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000065469871 1408673920 /nfs/dbraw/zinc/67/39/20/1408673920.db2.gz PREKYUZCCLMQGD-QFIPXVFZSA-N 2 0 398.551 3.038 20 0 GGADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000065518399 1408683046 /nfs/dbraw/zinc/68/30/46/1408683046.db2.gz BZTOMIQYFHIKLD-KCZVDYSFSA-N 2 0 386.584 3.461 20 0 GGADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000065542608 1408686609 /nfs/dbraw/zinc/68/66/09/1408686609.db2.gz SFQWSSFHAKDWEM-QFIPXVFZSA-N 2 0 380.536 3.082 20 0 GGADRP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000065550236 1408687525 /nfs/dbraw/zinc/68/75/25/1408687525.db2.gz MLIGMMBXWPZSET-MOPGFXCFSA-N 2 0 386.584 3.243 20 0 GGADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000065746840 1408723449 /nfs/dbraw/zinc/72/34/49/1408723449.db2.gz XGTFUYWOKOOJAD-UHFFFAOYSA-N 2 0 394.519 3.425 20 0 GGADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCC(C)CC1 ZINC000065901189 1408750815 /nfs/dbraw/zinc/75/08/15/1408750815.db2.gz VLWFQTXGXRVBTA-ICSRJNTNSA-N 2 0 375.532 3.274 20 0 GGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000065933870 1408756969 /nfs/dbraw/zinc/75/69/69/1408756969.db2.gz SMJQMGNZFURCMF-UHFFFAOYSA-N 2 0 394.441 3.064 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000066174491 1408786764 /nfs/dbraw/zinc/78/67/64/1408786764.db2.gz YXZFFFDJWOUMSX-LJQANCHMSA-N 2 0 376.545 3.322 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000066174490 1408786838 /nfs/dbraw/zinc/78/68/38/1408786838.db2.gz YXZFFFDJWOUMSX-IBGZPJMESA-N 2 0 376.545 3.322 20 0 GGADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066175944 1408787283 /nfs/dbraw/zinc/78/72/83/1408787283.db2.gz WDOZKJRCQMYBNS-MRXNPFEDSA-N 2 0 380.964 3.334 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066190965 1408789542 /nfs/dbraw/zinc/78/95/42/1408789542.db2.gz ZEDWCYYVLXOQEV-OAQYLSRUSA-N 2 0 386.584 3.414 20 0 GGADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000066662677 1408879113 /nfs/dbraw/zinc/87/91/13/1408879113.db2.gz ZAKJPQZFXQQHIR-FQEVSTJZSA-N 2 0 395.551 3.391 20 0 GGADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000066876720 1408939652 /nfs/dbraw/zinc/93/96/52/1408939652.db2.gz QNTPENNYHHLUCL-UHFFFAOYSA-N 2 0 380.536 3.445 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)CC1 ZINC000066960883 1408963427 /nfs/dbraw/zinc/96/34/27/1408963427.db2.gz ZOXPKAPPWAJURT-GOSISDBHSA-N 2 0 375.557 3.144 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000066960903 1408963464 /nfs/dbraw/zinc/96/34/64/1408963464.db2.gz QUBLUQSYATVKPN-QGZVFWFLSA-N 2 0 389.540 3.229 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1 ZINC000066960737 1408963513 /nfs/dbraw/zinc/96/35/13/1408963513.db2.gz CAKOUYADGIHRSB-SFHVURJKSA-N 2 0 375.557 3.144 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000067003404 1408978001 /nfs/dbraw/zinc/97/80/01/1408978001.db2.gz ORBRTKJJAQNMGZ-JKSUJKDBSA-N 2 0 378.542 3.326 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121502 1409013434 /nfs/dbraw/zinc/01/34/34/1409013434.db2.gz YEUAWPQNTIPADR-UHFFFAOYSA-N 2 0 375.891 3.305 20 0 GGADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)cn2)CC1 ZINC000067120187 1409013551 /nfs/dbraw/zinc/01/35/51/1409013551.db2.gz TZMSGUYXMJRFFP-UHFFFAOYSA-N 2 0 396.869 3.378 20 0 GGADRP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000067187069 1409035729 /nfs/dbraw/zinc/03/57/29/1409035729.db2.gz LGQAFWSNZUHLMN-FQEVSTJZSA-N 2 0 395.551 3.195 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 ZINC000067188314 1409036096 /nfs/dbraw/zinc/03/60/96/1409036096.db2.gz PWKHXJZMACQIEE-HNNXBMFYSA-N 2 0 393.938 3.089 20 0 GGADRP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000067189080 1409036384 /nfs/dbraw/zinc/03/63/84/1409036384.db2.gz UXQANUCIKORVOB-QZTJIDSGSA-N 2 0 384.568 3.260 20 0 GGADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176583214 1428371409 /nfs/dbraw/zinc/37/14/09/1428371409.db2.gz BJKZDVFHVXGWJO-NMIHRBCNSA-N 2 0 384.568 3.308 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067280786 1409063000 /nfs/dbraw/zinc/06/30/00/1409063000.db2.gz CYDIJFPZWVRDCI-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000067378703 1409093244 /nfs/dbraw/zinc/09/32/44/1409093244.db2.gz FKQMRZDXXGWDTB-FQEVSTJZSA-N 2 0 395.588 3.068 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067381876 1409094565 /nfs/dbraw/zinc/09/45/65/1409094565.db2.gz KVVKJJQJJNKHHA-UHFFFAOYSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(OCC(F)(F)F)cc3)ccn2)CC1 ZINC000067449082 1409121382 /nfs/dbraw/zinc/12/13/82/1409121382.db2.gz LMMKPORUNGRZKB-UHFFFAOYSA-N 2 0 394.441 3.064 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000067453138 1409122878 /nfs/dbraw/zinc/12/28/78/1409122878.db2.gz QMBJASMWAPHQNQ-OKILXGFUSA-N 2 0 399.329 3.157 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000176604347 1428377471 /nfs/dbraw/zinc/37/74/71/1428377471.db2.gz KCEMIARGGBNCRE-FCHUYYIVSA-N 2 0 386.584 3.413 20 0 GGADRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000067507071 1409140238 /nfs/dbraw/zinc/14/02/38/1409140238.db2.gz ZQAGCRVHRYFISP-FQEVSTJZSA-N 2 0 375.520 3.484 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067671753 1409203667 /nfs/dbraw/zinc/20/36/67/1409203667.db2.gz NHAGAVNGJSVERD-MRXNPFEDSA-N 2 0 395.473 3.007 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000067671618 1409203830 /nfs/dbraw/zinc/20/38/30/1409203830.db2.gz BLFIXAPWRKUVRA-FQEVSTJZSA-N 2 0 397.563 3.390 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000067671441 1409204233 /nfs/dbraw/zinc/20/42/33/1409204233.db2.gz SAOFNCQJFUKHLZ-OAQYLSRUSA-N 2 0 396.579 3.393 20 0 GGADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000067684865 1409207086 /nfs/dbraw/zinc/20/70/86/1409207086.db2.gz LRYLRDQEMQMVLP-IRLDBZIGSA-N 2 0 386.584 3.489 20 0 GGADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000067684861 1409207187 /nfs/dbraw/zinc/20/71/87/1409207187.db2.gz LRYLRDQEMQMVLP-RBBKRZOGSA-N 2 0 386.584 3.489 20 0 GGADRP COc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(-c2ccccc2)cc1OC ZINC000067691545 1409207723 /nfs/dbraw/zinc/20/77/23/1409207723.db2.gz IAGPTWCPZIQMFY-UHFFFAOYSA-N 2 0 397.563 3.488 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[NH+](C)C)cc1 ZINC000067705347 1409210300 /nfs/dbraw/zinc/21/03/00/1409210300.db2.gz PREKYUZCCLMQGD-JOCHJYFZSA-N 2 0 398.551 3.038 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC000067704804 1409210475 /nfs/dbraw/zinc/21/04/75/1409210475.db2.gz UWUFKUYDWJWIAX-OAQYLSRUSA-N 2 0 386.540 3.273 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000067707151 1409211226 /nfs/dbraw/zinc/21/12/26/1409211226.db2.gz MCCFDKBRMSCHBZ-GOSISDBHSA-N 2 0 390.547 3.210 20 0 GGADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067734504 1409217328 /nfs/dbraw/zinc/21/73/28/1409217328.db2.gz RTDZDCIKRNDFLQ-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000067735469 1409217439 /nfs/dbraw/zinc/21/74/39/1409217439.db2.gz FSUQGNHMQBSCDJ-VXKWHMMOSA-N 2 0 384.568 3.168 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000067976081 1409267766 /nfs/dbraw/zinc/26/77/66/1409267766.db2.gz XQOROFWKZZUCSD-JOCHJYFZSA-N 2 0 397.519 3.034 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2)CC1 ZINC000068131840 1409310660 /nfs/dbraw/zinc/31/06/60/1409310660.db2.gz JFXFWTCRDBSRSS-QHCPKHFHSA-N 2 0 398.595 3.308 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000068231670 1409336015 /nfs/dbraw/zinc/33/60/15/1409336015.db2.gz DWDCITIPDYTEOU-JOCHJYFZSA-N 2 0 380.536 3.460 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000068248950 1409338899 /nfs/dbraw/zinc/33/88/99/1409338899.db2.gz UXTIYGBVILCHHV-UHFFFAOYSA-N 2 0 393.535 3.114 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000068564897 1409440090 /nfs/dbraw/zinc/44/00/90/1409440090.db2.gz MNHMMMJYUJEQKT-NRFANRHFSA-N 2 0 386.515 3.202 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000068562545 1409440276 /nfs/dbraw/zinc/44/02/76/1409440276.db2.gz LGHATOZWZOQKGM-GOSISDBHSA-N 2 0 392.544 3.263 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccccc1 ZINC000176681535 1428404224 /nfs/dbraw/zinc/40/42/24/1428404224.db2.gz UHVPAFMHJIAQNZ-OAQYLSRUSA-N 2 0 375.557 3.075 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000068635765 1409452161 /nfs/dbraw/zinc/45/21/61/1409452161.db2.gz KDPXEJAZZMVPGG-NRFANRHFSA-N 2 0 376.589 3.301 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707067 1409472473 /nfs/dbraw/zinc/47/24/73/1409472473.db2.gz RYKFRDVEEDYKSI-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000068840346 1409505533 /nfs/dbraw/zinc/50/55/33/1409505533.db2.gz JZESHZWCJPSYTO-UHFFFAOYSA-N 2 0 382.504 3.468 20 0 GGADRP O=C1[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1c1ccccc1 ZINC000068992407 1409538504 /nfs/dbraw/zinc/53/85/04/1409538504.db2.gz KUJXPPCCCMQVQW-QFIPXVFZSA-N 2 0 379.504 3.056 20 0 GGADRP O=C1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1c1ccccc1 ZINC000068992411 1409538901 /nfs/dbraw/zinc/53/89/01/1409538901.db2.gz KUJXPPCCCMQVQW-JOCHJYFZSA-N 2 0 379.504 3.056 20 0 GGADRP c1ccc(COc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)nc1 ZINC000069028022 1409546791 /nfs/dbraw/zinc/54/67/91/1409546791.db2.gz BYRZMWDTDHWUER-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000069028091 1409547046 /nfs/dbraw/zinc/54/70/46/1409547046.db2.gz KAYIDEPLCMYMHQ-UHFFFAOYSA-N 2 0 393.531 3.483 20 0 GGADRP O=C(NC1CC1)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000069063337 1409554785 /nfs/dbraw/zinc/55/47/85/1409554785.db2.gz VIRZCXDSQHMKTL-UHFFFAOYSA-N 2 0 393.531 3.343 20 0 GGADRP COc1cccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[NH+]2CCCC2)c1 ZINC000069178790 1409582234 /nfs/dbraw/zinc/58/22/34/1409582234.db2.gz ZXEOPKYLHYSDLB-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069681336 1409674143 /nfs/dbraw/zinc/67/41/43/1409674143.db2.gz CZFWYWUJSLFMHL-MRXNPFEDSA-N 2 0 389.975 3.258 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000176704458 1428421495 /nfs/dbraw/zinc/42/14/95/1428421495.db2.gz MIDOPEJJQFYKOS-SFHVURJKSA-N 2 0 390.553 3.251 20 0 GGADRP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000069785341 1409698252 /nfs/dbraw/zinc/69/82/52/1409698252.db2.gz XHZATZUCMUIEBF-UHFFFAOYSA-N 2 0 389.547 3.218 20 0 GGADRP C[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720274 1428432833 /nfs/dbraw/zinc/43/28/33/1428432833.db2.gz WAMHKOVIGILPIM-RBBKRZOGSA-N 2 0 399.579 3.191 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720291 1428433266 /nfs/dbraw/zinc/43/32/66/1428433266.db2.gz WAMHKOVIGILPIM-IRLDBZIGSA-N 2 0 399.579 3.191 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044423 1409840764 /nfs/dbraw/zinc/84/07/64/1409840764.db2.gz OINOHNPYLYKKOJ-QZTJIDSGSA-N 2 0 378.586 3.305 20 0 GGADRP CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000072931261 1409855346 /nfs/dbraw/zinc/85/53/46/1409855346.db2.gz AAXKOKPRRLHQNS-UHFFFAOYSA-N 2 0 376.545 3.103 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000073442812 1409861142 /nfs/dbraw/zinc/86/11/42/1409861142.db2.gz MRWSXPFZJGPUJI-OALUTQOASA-N 2 0 376.545 3.322 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073541811 1409861862 /nfs/dbraw/zinc/86/18/62/1409861862.db2.gz XBWWBNKWLAOSGO-IBGZPJMESA-N 2 0 378.948 3.088 20 0 GGADRP CC1CC[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073536804 1409862142 /nfs/dbraw/zinc/86/21/42/1409862142.db2.gz VAZRXHJKXAFBRV-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073618444 1409863237 /nfs/dbraw/zinc/86/32/37/1409863237.db2.gz JAKLMPQGNCRAGA-JOCHJYFZSA-N 2 0 386.584 3.209 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000073620014 1409863280 /nfs/dbraw/zinc/86/32/80/1409863280.db2.gz YSAZSLMUYBRURE-QFIPXVFZSA-N 2 0 386.584 3.475 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000073619967 1409863316 /nfs/dbraw/zinc/86/33/16/1409863316.db2.gz KOQBFIOJGPJYRS-HXUWFJFHSA-N 2 0 386.584 3.333 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000073620191 1409863403 /nfs/dbraw/zinc/86/34/03/1409863403.db2.gz YPXCXTDDFVAQAH-YADHBBJMSA-N 2 0 384.568 3.297 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000073677228 1409864193 /nfs/dbraw/zinc/86/41/93/1409864193.db2.gz PKBKRSOMYIZXOM-UNMCSNQZSA-N 2 0 386.584 3.414 20 0 GGADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000073675810 1409864235 /nfs/dbraw/zinc/86/42/35/1409864235.db2.gz SKXZJLCIQQMONE-QFIPXVFZSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000073788434 1409865642 /nfs/dbraw/zinc/86/56/42/1409865642.db2.gz PCKODLNPXHAYAN-UNMCSNQZSA-N 2 0 386.584 3.272 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000073827461 1409865874 /nfs/dbraw/zinc/86/58/74/1409865874.db2.gz FGLUUYIMZAFCJX-SJBKTWHCSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000074103395 1409868870 /nfs/dbraw/zinc/86/88/70/1409868870.db2.gz YJAOJSKQWJGQPZ-VXKWHMMOSA-N 2 0 386.584 3.270 20 0 GGADRP CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[NH+](C)C)cc1 ZINC000074833174 1409877242 /nfs/dbraw/zinc/87/72/42/1409877242.db2.gz GMTJJQWYKGQYOL-IRLDBZIGSA-N 2 0 386.584 3.225 20 0 GGADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000074848830 1409877497 /nfs/dbraw/zinc/87/74/97/1409877497.db2.gz GDCSAYZIQZMCLZ-FQEVSTJZSA-N 2 0 386.584 3.400 20 0 GGADRP CC(C)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000074850584 1409877627 /nfs/dbraw/zinc/87/76/27/1409877627.db2.gz LBZMHKBRHFCGHD-RTWAWAEBSA-N 2 0 378.605 3.116 20 0 GGADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000074858059 1409877935 /nfs/dbraw/zinc/87/79/35/1409877935.db2.gz ZGWHBWGOSIYBKZ-UZKOGDIHSA-N 2 0 384.568 3.195 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000074868202 1409878187 /nfs/dbraw/zinc/87/81/87/1409878187.db2.gz GVEPIEFMZFIRRT-NRFANRHFSA-N 2 0 390.616 3.404 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074876233 1409878819 /nfs/dbraw/zinc/87/88/19/1409878819.db2.gz ULKHVRXDCWFDSQ-FCHUYYIVSA-N 2 0 386.584 3.413 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000075007626 1409880049 /nfs/dbraw/zinc/88/00/49/1409880049.db2.gz WCLAMXXRZPADOT-CTAFRAEOSA-N 2 0 381.605 3.139 20 0 GGADRP CC1(C)CC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000075814455 1409883112 /nfs/dbraw/zinc/88/31/12/1409883112.db2.gz XKJKRWYHRCWDIQ-UHFFFAOYSA-N 2 0 386.584 3.302 20 0 GGADRP CCOc1c(Cl)cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000075763161 1409883298 /nfs/dbraw/zinc/88/32/98/1409883298.db2.gz KMEOOWDKCBVFGA-GOSISDBHSA-N 2 0 383.964 3.109 20 0 GGADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835599 1409883344 /nfs/dbraw/zinc/88/33/44/1409883344.db2.gz HIJTWGSHBFRCGN-INIZCTEOSA-N 2 0 379.932 3.485 20 0 GGADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324851 1409887050 /nfs/dbraw/zinc/88/70/50/1409887050.db2.gz BVRXHOYWVANJPA-OAHLLOKOSA-N 2 0 381.511 3.442 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000076554180 1409889334 /nfs/dbraw/zinc/88/93/34/1409889334.db2.gz SIPPYVIBONEADF-NRFANRHFSA-N 2 0 384.568 3.202 20 0 GGADRP CCC[NH+]1CCC(NC(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000077201345 1409894595 /nfs/dbraw/zinc/89/45/95/1409894595.db2.gz VOSWETOEPYFCND-UHFFFAOYSA-N 2 0 376.545 3.403 20 0 GGADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000077450541 1409896441 /nfs/dbraw/zinc/89/64/41/1409896441.db2.gz QVSBIPBBUZYTMT-UHFFFAOYSA-N 2 0 376.932 3.195 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000077753517 1409899570 /nfs/dbraw/zinc/89/95/70/1409899570.db2.gz IJBLTGYMBUQGKY-CYBMUJFWSA-N 2 0 375.344 3.189 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000077763980 1409899807 /nfs/dbraw/zinc/89/98/07/1409899807.db2.gz VFXOBUFWHLWUMP-SIKLNZKXSA-N 2 0 384.568 3.441 20 0 GGADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000077774184 1409899858 /nfs/dbraw/zinc/89/98/58/1409899858.db2.gz YLAWYWUEQGKEPK-UXHICEINSA-N 2 0 386.584 3.113 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000078322904 1409913145 /nfs/dbraw/zinc/91/31/45/1409913145.db2.gz HUUZNAWBMUOGGA-UHFFFAOYSA-N 2 0 380.536 3.166 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H](C)[NH+](C)C)cc3)CC2)c1 ZINC000078668386 1409932198 /nfs/dbraw/zinc/93/21/98/1409932198.db2.gz HOUCNQVMXDZUEJ-IBGZPJMESA-N 2 0 380.536 3.206 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000079096393 1409956772 /nfs/dbraw/zinc/95/67/72/1409956772.db2.gz JCDOWZWHRNOVNI-UHFFFAOYSA-N 2 0 376.545 3.006 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000079168916 1409961001 /nfs/dbraw/zinc/96/10/01/1409961001.db2.gz OKPDMVIUJGSQDD-NRFANRHFSA-N 2 0 384.568 3.202 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000079169118 1409961083 /nfs/dbraw/zinc/96/10/83/1409961083.db2.gz VQCGEVWDGYDSED-OALUTQOASA-N 2 0 384.568 3.345 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000079169045 1409961598 /nfs/dbraw/zinc/96/15/98/1409961598.db2.gz VYBUKTNNPDUIOM-RXVVDRJESA-N 2 0 384.568 3.345 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000079227910 1409963422 /nfs/dbraw/zinc/96/34/22/1409963422.db2.gz YRDRGZRPOGBMQP-XLIONFOSSA-N 2 0 378.536 3.240 20 0 GGADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079224246 1409963493 /nfs/dbraw/zinc/96/34/93/1409963493.db2.gz WLDJTNOOUVRZKL-MSOLQXFVSA-N 2 0 376.570 3.155 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251088 1409963906 /nfs/dbraw/zinc/96/39/06/1409963906.db2.gz TXEUFRQXTNWGKZ-MOPGFXCFSA-N 2 0 378.586 3.401 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079256840 1409963931 /nfs/dbraw/zinc/96/39/31/1409963931.db2.gz SUZSTDZQPCXRJP-NRFANRHFSA-N 2 0 384.568 3.093 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251085 1409964127 /nfs/dbraw/zinc/96/41/27/1409964127.db2.gz TXEUFRQXTNWGKZ-RBUKOAKNSA-N 2 0 378.586 3.401 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176742088 1428444844 /nfs/dbraw/zinc/44/48/44/1428444844.db2.gz WTRGGQBTJAJDIX-VXKWHMMOSA-N 2 0 386.584 3.414 20 0 GGADRP CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000079493655 1409978601 /nfs/dbraw/zinc/97/86/01/1409978601.db2.gz ZHAVRORVLOPIGB-NRFANRHFSA-N 2 0 384.568 3.093 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079551692 1409981030 /nfs/dbraw/zinc/98/10/30/1409981030.db2.gz BURWDOPYJAAQSW-RTBURBONSA-N 2 0 378.586 3.228 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000079610346 1409983712 /nfs/dbraw/zinc/98/37/12/1409983712.db2.gz AUOJQDXMYJNSRR-UHFFFAOYSA-N 2 0 386.584 3.197 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000079620864 1409984317 /nfs/dbraw/zinc/98/43/17/1409984317.db2.gz HIFKAEAVIPGEPP-LJQANCHMSA-N 2 0 386.584 3.195 20 0 GGADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000079652121 1409985641 /nfs/dbraw/zinc/98/56/41/1409985641.db2.gz QLUDQKWJUTWEIF-FQEVSTJZSA-N 2 0 378.536 3.190 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000080056904 1409999032 /nfs/dbraw/zinc/99/90/32/1409999032.db2.gz VVACYIAQHOXPEH-HRTMPFAESA-N 2 0 386.584 3.256 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000080056907 1409999211 /nfs/dbraw/zinc/99/92/11/1409999211.db2.gz VVACYIAQHOXPEH-LZBANZJXSA-N 2 0 386.584 3.256 20 0 GGADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080057101 1409999518 /nfs/dbraw/zinc/99/95/18/1409999518.db2.gz FQRYZYBTJVEZAW-ORFBVSJDSA-N 2 0 384.568 3.357 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000080401932 1410005055 /nfs/dbraw/zinc/00/50/55/1410005055.db2.gz LGFHOMWHFOWFCY-UHFFFAOYSA-N 2 0 375.488 3.288 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000080657275 1410008880 /nfs/dbraw/zinc/00/88/80/1410008880.db2.gz ZWCNFVMCVMQIJJ-UNMCSNQZSA-N 2 0 384.568 3.197 20 0 GGADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000080664481 1410010113 /nfs/dbraw/zinc/01/01/13/1410010113.db2.gz RAGHHZSJMUFBDP-UNMCSNQZSA-N 2 0 384.568 3.197 20 0 GGADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000080746951 1410012318 /nfs/dbraw/zinc/01/23/18/1410012318.db2.gz HHXBIYUHGOKRLT-UHFFFAOYSA-N 2 0 381.948 3.491 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156067 1410015751 /nfs/dbraw/zinc/01/57/51/1410015751.db2.gz WTMSIKFUEBIGRW-IBGZPJMESA-N 2 0 380.536 3.103 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000081305837 1410016995 /nfs/dbraw/zinc/01/69/95/1410016995.db2.gz PVAHFRPKLWPRLV-UHFFFAOYSA-N 2 0 375.582 3.337 20 0 GGADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000081333736 1410017461 /nfs/dbraw/zinc/01/74/61/1410017461.db2.gz AHSHVLMUEYJLDV-UXHICEINSA-N 2 0 375.532 3.228 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000081361737 1410018469 /nfs/dbraw/zinc/01/84/69/1410018469.db2.gz GJWOAIRGMBUBAJ-IBGZPJMESA-N 2 0 375.582 3.039 20 0 GGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)CC1 ZINC000083173882 1410027659 /nfs/dbraw/zinc/02/76/59/1410027659.db2.gz AFJIEFBXHIALBG-KRWDZBQOSA-N 2 0 376.520 3.180 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083173087 1410027949 /nfs/dbraw/zinc/02/79/49/1410027949.db2.gz CEXYCZMOYNVWOR-IAGOWNOFSA-N 2 0 376.520 3.323 20 0 GGADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000084455698 1410036077 /nfs/dbraw/zinc/03/60/77/1410036077.db2.gz FYOILDHRDRYNAZ-UHFFFAOYSA-N 2 0 378.586 3.228 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000085389945 1410040468 /nfs/dbraw/zinc/04/04/68/1410040468.db2.gz WTYCWUTVORDHEO-XQBPLPMBSA-N 2 0 386.584 3.400 20 0 GGADRP Cc1sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-c1ccc(F)cc1 ZINC000087304361 1410047287 /nfs/dbraw/zinc/04/72/87/1410047287.db2.gz VXEQJNUITKUJOG-UHFFFAOYSA-N 2 0 377.529 3.428 20 0 GGADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000089139725 1410052389 /nfs/dbraw/zinc/05/23/89/1410052389.db2.gz YLJMONUUHXQLGW-UHFFFAOYSA-N 2 0 375.557 3.144 20 0 GGADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000090172032 1410062972 /nfs/dbraw/zinc/06/29/72/1410062972.db2.gz ZOTHPNSWQHPHFZ-QFIPXVFZSA-N 2 0 384.612 3.188 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524155 1410064228 /nfs/dbraw/zinc/06/42/28/1410064228.db2.gz CQGDZTPDFOGFBP-HSQYWUDLSA-N 2 0 376.541 3.130 20 0 GGADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090585702 1410065093 /nfs/dbraw/zinc/06/50/93/1410065093.db2.gz GDFANFXKHNAJDX-ROUUACIJSA-N 2 0 381.586 3.467 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333140 1410072358 /nfs/dbraw/zinc/07/23/58/1410072358.db2.gz BYPPAJJGSKAMFB-HNNXBMFYSA-N 2 0 377.964 3.151 20 0 GGADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091285176 1410072575 /nfs/dbraw/zinc/07/25/75/1410072575.db2.gz LOMGFZITQJMRKG-MRXNPFEDSA-N 2 0 377.964 3.295 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091320772 1410072647 /nfs/dbraw/zinc/07/26/47/1410072647.db2.gz UMFBMKOCBCJCNJ-HZPDHXFCSA-N 2 0 377.964 3.151 20 0 GGADRP Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)n1 ZINC000091832890 1410084360 /nfs/dbraw/zinc/08/43/60/1410084360.db2.gz FNLRRSKOEVWOAD-LJQANCHMSA-N 2 0 383.540 3.288 20 0 GGADRP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1n1ccnc1 ZINC000091960576 1410095092 /nfs/dbraw/zinc/09/50/92/1410095092.db2.gz WWVFRRZWVXXSFD-XXBNENTESA-N 2 0 381.568 3.497 20 0 GGADRP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC000092003956 1410096398 /nfs/dbraw/zinc/09/63/98/1410096398.db2.gz IQTYOCQTHZVCBR-FQEVSTJZSA-N 2 0 396.535 3.181 20 0 GGADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000092056779 1410103236 /nfs/dbraw/zinc/10/32/36/1410103236.db2.gz JEHDEXLSEXGHKM-UHFFFAOYSA-N 2 0 398.595 3.053 20 0 GGADRP C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416303 1410155388 /nfs/dbraw/zinc/15/53/88/1410155388.db2.gz KFVZMQRHIXBYHE-KXBFYZLASA-N 2 0 377.916 3.287 20 0 GGADRP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416308 1410155624 /nfs/dbraw/zinc/15/56/24/1410155624.db2.gz KFVZMQRHIXBYHE-HNAYVOBHSA-N 2 0 377.916 3.287 20 0 GGADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000092426759 1410156799 /nfs/dbraw/zinc/15/67/99/1410156799.db2.gz BWUZLOJYHRFESW-LPHOPBHVSA-N 2 0 375.557 3.319 20 0 GGADRP COCCOc1ccccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587425 1410176204 /nfs/dbraw/zinc/17/62/04/1410176204.db2.gz YBOJEDIMUHDNGB-KDURUIRLSA-N 2 0 376.541 3.033 20 0 GGADRP COCCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587095 1410176356 /nfs/dbraw/zinc/17/63/56/1410176356.db2.gz YZEBHIDOXGYEQP-OALUTQOASA-N 2 0 376.541 3.033 20 0 GGADRP CCOc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000092587249 1410176419 /nfs/dbraw/zinc/17/64/19/1410176419.db2.gz IVLIKTXMDAFHOR-HDICACEKSA-N 2 0 376.541 3.415 20 0 GGADRP COCCOc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587094 1410176744 /nfs/dbraw/zinc/17/67/44/1410176744.db2.gz YZEBHIDOXGYEQP-KDURUIRLSA-N 2 0 376.541 3.033 20 0 GGADRP COCCOc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587496 1410176913 /nfs/dbraw/zinc/17/69/13/1410176913.db2.gz FVNQOCARFNXQAM-KDURUIRLSA-N 2 0 376.541 3.033 20 0 GGADRP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000092587439 1410177320 /nfs/dbraw/zinc/17/73/20/1410177320.db2.gz OSOSSDGQKRQWKN-CALCHBBNSA-N 2 0 392.540 3.034 20 0 GGADRP Cc1ccc(-c2ncc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)s2)cc1 ZINC000092615903 1410180206 /nfs/dbraw/zinc/18/02/06/1410180206.db2.gz OJRMTWSUISNTRY-UHFFFAOYSA-N 2 0 386.565 3.008 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000092615725 1410180336 /nfs/dbraw/zinc/18/03/36/1410180336.db2.gz GMVVMRGRJGRCRZ-UHFFFAOYSA-N 2 0 395.547 3.155 20 0 GGADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000092615651 1410180459 /nfs/dbraw/zinc/18/04/59/1410180459.db2.gz PSXAMTAJWFVTQN-UHFFFAOYSA-N 2 0 391.462 3.115 20 0 GGADRP CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092706614 1410191601 /nfs/dbraw/zinc/19/16/01/1410191601.db2.gz YZDHALFRUWMCCK-OAQYLSRUSA-N 2 0 387.568 3.145 20 0 GGADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092730415 1410194241 /nfs/dbraw/zinc/19/42/41/1410194241.db2.gz GGASRRNYCJHPCS-UYAOXDASSA-N 2 0 375.557 3.144 20 0 GGADRP CCn1cc(C2CC[NH+](Cc3ccccc3N3CC[NH+](CC)CC3)CC2)cn1 ZINC000092809322 1410202802 /nfs/dbraw/zinc/20/28/02/1410202802.db2.gz RUXDHNRDZIXFPO-UHFFFAOYSA-N 2 0 381.568 3.425 20 0 GGADRP C[C@@H](C1CC1)N(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821386 1410204065 /nfs/dbraw/zinc/20/40/65/1410204065.db2.gz GORLGDOMYYVKIN-SFHVURJKSA-N 2 0 384.568 3.409 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000092821371 1410204177 /nfs/dbraw/zinc/20/41/77/1410204177.db2.gz CAKZBNQYYXQGQK-QFIPXVFZSA-N 2 0 378.520 3.425 20 0 GGADRP C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820974 1410204332 /nfs/dbraw/zinc/20/43/32/1410204332.db2.gz SINWJUGWAIBLNQ-IBGZPJMESA-N 2 0 380.536 3.325 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCc2ccccc21 ZINC000092820942 1410204397 /nfs/dbraw/zinc/20/43/97/1410204397.db2.gz DYYCFMQRMMXILU-UHFFFAOYSA-N 2 0 378.520 3.209 20 0 GGADRP CC[NH+](CC)[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000093066005 1410219908 /nfs/dbraw/zinc/21/99/08/1410219908.db2.gz IHAJBBJLJSMSJE-QFIPXVFZSA-N 2 0 380.536 3.497 20 0 GGADRP CCCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093132966 1410223079 /nfs/dbraw/zinc/22/30/79/1410223079.db2.gz DUMIUOFLTIWBRS-FQEVSTJZSA-N 2 0 375.557 3.086 20 0 GGADRP CCCCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093133098 1410223137 /nfs/dbraw/zinc/22/31/37/1410223137.db2.gz ZBVONHRKVDDZKB-NRFANRHFSA-N 2 0 389.584 3.476 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000093133006 1410223205 /nfs/dbraw/zinc/22/32/05/1410223205.db2.gz UXKPEYWICOSFGN-JOCHJYFZSA-N 2 0 395.595 3.382 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000093133050 1410223395 /nfs/dbraw/zinc/22/33/95/1410223395.db2.gz IRGDLWZKBYYZBH-JOCHJYFZSA-N 2 0 389.547 3.237 20 0 GGADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000093133051 1410223804 /nfs/dbraw/zinc/22/38/04/1410223804.db2.gz IRGDLWZKBYYZBH-QFIPXVFZSA-N 2 0 389.547 3.237 20 0 GGADRP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000093133046 1410224245 /nfs/dbraw/zinc/22/42/45/1410224245.db2.gz XEHYRZRDYYXSFH-FQEVSTJZSA-N 2 0 375.557 3.086 20 0 GGADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)C)C2)CC1 ZINC000093132624 1410224269 /nfs/dbraw/zinc/22/42/69/1410224269.db2.gz LRYYAUDTIZRNMW-JOCHJYFZSA-N 2 0 381.568 3.208 20 0 GGADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134539 1410225238 /nfs/dbraw/zinc/22/52/38/1410225238.db2.gz SMMRMQFDCLIRQJ-HXUWFJFHSA-N 2 0 395.551 3.079 20 0 GGADRP COC(=O)CCC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093341565 1410236930 /nfs/dbraw/zinc/23/69/30/1410236930.db2.gz QRBUDDVVTAHDDF-UHFFFAOYSA-N 2 0 387.568 3.382 20 0 GGADRP COCCCOC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093561473 1410254051 /nfs/dbraw/zinc/25/40/51/1410254051.db2.gz NZAQHMXXGVMDDD-UHFFFAOYSA-N 2 0 389.584 3.235 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093769466 1410265872 /nfs/dbraw/zinc/26/58/72/1410265872.db2.gz NJCDVOXZUIUDLD-UHFFFAOYSA-N 2 0 389.584 3.094 20 0 GGADRP Cc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844193 1410274988 /nfs/dbraw/zinc/27/49/88/1410274988.db2.gz OYKKMGXMEYNCIH-BGYRXZFFSA-N 2 0 397.567 3.287 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@H](C)O1 ZINC000093844419 1410275154 /nfs/dbraw/zinc/27/51/54/1410275154.db2.gz XEFANQODLGVPBT-OALUTQOASA-N 2 0 397.567 3.193 20 0 GGADRP COc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000093844329 1410275351 /nfs/dbraw/zinc/27/53/51/1410275351.db2.gz KXLBWFFRTCBLAI-ROUUACIJSA-N 2 0 376.541 3.415 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844403 1410275526 /nfs/dbraw/zinc/27/55/26/1410275526.db2.gz INMDPDDRVKAEIU-HDICACEKSA-N 2 0 383.540 3.183 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000097357749 1410365784 /nfs/dbraw/zinc/36/57/84/1410365784.db2.gz KEQDYZGGIQGCEU-DHIUTWEWSA-N 2 0 394.563 3.296 20 0 GGADRP COc1cccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000097357809 1410365833 /nfs/dbraw/zinc/36/58/33/1410365833.db2.gz CSQQMONNKNYXTR-OAQYLSRUSA-N 2 0 390.572 3.252 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337199 1410365980 /nfs/dbraw/zinc/36/59/80/1410365980.db2.gz VJONCTFWQRWGNJ-FGZHOGPDSA-N 2 0 380.536 3.426 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000097357726 1410366214 /nfs/dbraw/zinc/36/62/14/1410366214.db2.gz RUZPAPBZAAKKBM-XZOQPEGZSA-N 2 0 394.563 3.296 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000097357746 1410366244 /nfs/dbraw/zinc/36/62/44/1410366244.db2.gz KEQDYZGGIQGCEU-GOTSBHOMSA-N 2 0 394.563 3.296 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000097357725 1410366298 /nfs/dbraw/zinc/36/62/98/1410366298.db2.gz RUZPAPBZAAKKBM-PKTZIBPZSA-N 2 0 394.563 3.296 20 0 GGADRP CCOc1cc2[nH+]ccc(NCCN3CCC([NH+](C)C)CC3)c2cc1OCC ZINC000176815957 1428478881 /nfs/dbraw/zinc/47/88/81/1428478881.db2.gz HRXGFWGWWUPKEU-UHFFFAOYSA-N 2 0 386.540 3.470 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000101518396 1410444403 /nfs/dbraw/zinc/44/44/03/1410444403.db2.gz LVCIVOXQWPIUQS-FQEVSTJZSA-N 2 0 396.535 3.362 20 0 GGADRP CN1CC[NH+](CCCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101592125 1410474425 /nfs/dbraw/zinc/47/44/25/1410474425.db2.gz UIDRCHPTSKQCOK-UHFFFAOYSA-N 2 0 395.595 3.342 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[NH+]2CCCC2)o1 ZINC000101621148 1410481910 /nfs/dbraw/zinc/48/19/10/1410481910.db2.gz CDZVCZAUQJGTIJ-QGZVFWFLSA-N 2 0 376.545 3.333 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000101661386 1410487933 /nfs/dbraw/zinc/48/79/33/1410487933.db2.gz IWRQDYHMZQEHMP-FHWLQOOXSA-N 2 0 387.568 3.285 20 0 GGADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000101749209 1410498617 /nfs/dbraw/zinc/49/86/17/1410498617.db2.gz KDJMICAOQHGAOK-QFIPXVFZSA-N 2 0 386.584 3.068 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422395 1410625427 /nfs/dbraw/zinc/62/54/27/1410625427.db2.gz PXSKUTUZACSXTG-CQSZACIVSA-N 2 0 384.351 3.385 20 0 GGADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1)C1CCOCC1 ZINC000102781485 1410752178 /nfs/dbraw/zinc/75/21/78/1410752178.db2.gz ZCVXZAJVUHXFPI-UHFFFAOYSA-N 2 0 398.503 3.195 20 0 GGADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000102804670 1410769477 /nfs/dbraw/zinc/76/94/77/1410769477.db2.gz VOGGGUIRBUIDRG-UHFFFAOYSA-N 2 0 384.568 3.345 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000103143036 1410831324 /nfs/dbraw/zinc/83/13/24/1410831324.db2.gz ZSECLTDIFHIXLZ-QFIPXVFZSA-N 2 0 386.511 3.409 20 0 GGADRP Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211990 1410837704 /nfs/dbraw/zinc/83/77/04/1410837704.db2.gz YEWSFIZSKRVALM-UHFFFAOYSA-N 2 0 394.972 3.337 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000103228023 1410838629 /nfs/dbraw/zinc/83/86/29/1410838629.db2.gz GRJLDEHOSMBLAF-NRFANRHFSA-N 2 0 388.577 3.470 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103247307 1410840565 /nfs/dbraw/zinc/84/05/65/1410840565.db2.gz MPKMAWNDAGSNQP-UNMCSNQZSA-N 2 0 386.584 3.115 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103268275 1410842029 /nfs/dbraw/zinc/84/20/29/1410842029.db2.gz IZPKHEWTEVHCCO-HSZRJFAPSA-N 2 0 394.563 3.112 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000103296537 1410844041 /nfs/dbraw/zinc/84/40/41/1410844041.db2.gz KNYCWFCUYDIDKU-SFHVURJKSA-N 2 0 378.605 3.449 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000103303351 1410844584 /nfs/dbraw/zinc/84/45/84/1410844584.db2.gz BTIDFWBSHDPNCK-LJQANCHMSA-N 2 0 386.584 3.450 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)CC1 ZINC000103303260 1410844631 /nfs/dbraw/zinc/84/46/31/1410844631.db2.gz HVWHNNFZJHLEBM-UHFFFAOYSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103319207 1410846824 /nfs/dbraw/zinc/84/68/24/1410846824.db2.gz SOWQNRXOKUVBBB-NRFANRHFSA-N 2 0 386.584 3.163 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103319450 1410846848 /nfs/dbraw/zinc/84/68/48/1410846848.db2.gz NFPUEYOEIKSDDZ-OAQYLSRUSA-N 2 0 386.584 3.067 20 0 GGADRP C[NH+]1CCC(CCNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000103321047 1410846985 /nfs/dbraw/zinc/84/69/85/1410846985.db2.gz NMECRUJVZKBDCB-UHFFFAOYSA-N 2 0 386.584 3.068 20 0 GGADRP CC[NH+](Cc1cnn(C)c1)Cc1cccc(C[N@H+](CC)Cc2cnn(C)c2)c1 ZINC000103474250 1410861551 /nfs/dbraw/zinc/86/15/51/1410861551.db2.gz QRWSOCHWNOXAQD-UHFFFAOYSA-N 2 0 380.540 3.198 20 0 GGADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1cccc2ccccc21 ZINC000103482209 1410862631 /nfs/dbraw/zinc/86/26/31/1410862631.db2.gz GWSAXFDWRFAZJI-UHFFFAOYSA-N 2 0 381.520 3.213 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000103508697 1410864692 /nfs/dbraw/zinc/86/46/92/1410864692.db2.gz JQWMDFWJPXLYOB-UHFFFAOYSA-N 2 0 386.584 3.402 20 0 GGADRP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000104283188 1410890537 /nfs/dbraw/zinc/89/05/37/1410890537.db2.gz YGAFJZLNXXTGSE-NRFANRHFSA-N 2 0 375.532 3.417 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)C1CCCC1 ZINC000104793633 1410964814 /nfs/dbraw/zinc/96/48/14/1410964814.db2.gz XTZRTTIRCWCEBI-KRWDZBQOSA-N 2 0 378.586 3.134 20 0 GGADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105077426 1411024966 /nfs/dbraw/zinc/02/49/66/1411024966.db2.gz YKUSACHRSITCQO-PMACEKPBSA-N 2 0 388.556 3.467 20 0 GGADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000105077936 1411025223 /nfs/dbraw/zinc/02/52/23/1411025223.db2.gz OFLKRIZZMJMHRE-DYESRHJHSA-N 2 0 388.556 3.004 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)NCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000105082344 1411025935 /nfs/dbraw/zinc/02/59/35/1411025935.db2.gz VBHKUNANVGZEPP-GOSISDBHSA-N 2 0 378.586 3.162 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000105083020 1411026123 /nfs/dbraw/zinc/02/61/23/1411026123.db2.gz MOCVYDMZNVDLIA-WOJBJXKFSA-N 2 0 376.520 3.088 20 0 GGADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000105093648 1411027844 /nfs/dbraw/zinc/02/78/44/1411027844.db2.gz MCLARAFISPIOII-GOSISDBHSA-N 2 0 392.975 3.336 20 0 GGADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000105112852 1411030045 /nfs/dbraw/zinc/03/00/45/1411030045.db2.gz OMVYAOPWWFEYGL-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105135219 1411033546 /nfs/dbraw/zinc/03/35/46/1411033546.db2.gz VARPKKFCXRSMPM-NJDAHSKKSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000105208210 1411041921 /nfs/dbraw/zinc/04/19/21/1411041921.db2.gz WEXVPRSSQZWECB-IBGZPJMESA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCC1 ZINC000105209374 1411042091 /nfs/dbraw/zinc/04/20/91/1411042091.db2.gz VNJQLGRGZMYRIK-QUCCMNQESA-N 2 0 392.613 3.380 20 0 GGADRP CN1CCC([NH+]2CCC(NC(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000105211175 1411042202 /nfs/dbraw/zinc/04/22/02/1411042202.db2.gz QSQYSUQJFLPHHV-UHFFFAOYSA-N 2 0 380.536 3.198 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000105209294 1411042297 /nfs/dbraw/zinc/04/22/97/1411042297.db2.gz WJJNPNLCOPUBJS-OALUTQOASA-N 2 0 392.613 3.380 20 0 GGADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCCC1 ZINC000105209366 1411042393 /nfs/dbraw/zinc/04/23/93/1411042393.db2.gz VNJQLGRGZMYRIK-ICSRJNTNSA-N 2 0 392.613 3.380 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCC2)o1 ZINC000105222174 1411044136 /nfs/dbraw/zinc/04/41/36/1411044136.db2.gz INGFAFUYOPSFIR-RTBURBONSA-N 2 0 376.545 3.145 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000105273550 1411048648 /nfs/dbraw/zinc/04/86/48/1411048648.db2.gz SGSXOUCHURSEPJ-KRWDZBQOSA-N 2 0 396.526 3.158 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273540 1411049021 /nfs/dbraw/zinc/04/90/21/1411049021.db2.gz RKEZGPVOZBSJII-GOSISDBHSA-N 2 0 396.526 3.158 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000105273531 1411049457 /nfs/dbraw/zinc/04/94/57/1411049457.db2.gz QHGQBDUBOPDONS-LJQANCHMSA-N 2 0 378.536 3.019 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105441612 1411066329 /nfs/dbraw/zinc/06/63/29/1411066329.db2.gz RKVLIMQBTZJCRU-FQEVSTJZSA-N 2 0 382.552 3.024 20 0 GGADRP C[C@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)CN1CC[NH+](C)CC1 ZINC000105438912 1411066512 /nfs/dbraw/zinc/06/65/12/1411066512.db2.gz MIWTWNNJCDQUQC-HXUWFJFHSA-N 2 0 395.595 3.198 20 0 GGADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)CN1CC[NH+](C)CC1 ZINC000105438957 1411066530 /nfs/dbraw/zinc/06/65/30/1411066530.db2.gz RVZCOHSTZCEKMI-LJQANCHMSA-N 2 0 385.527 3.378 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000105440951 1411066596 /nfs/dbraw/zinc/06/65/96/1411066596.db2.gz JIMLRTMKQWXWBG-GOSISDBHSA-N 2 0 395.551 3.197 20 0 GGADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000105454622 1411067943 /nfs/dbraw/zinc/06/79/43/1411067943.db2.gz HEADXZYNEHWQGI-UHFFFAOYSA-N 2 0 384.524 3.070 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462884 1411068626 /nfs/dbraw/zinc/06/86/26/1411068626.db2.gz UGCOFSOZZLJGKM-KRWDZBQOSA-N 2 0 394.498 3.009 20 0 GGADRP Cc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000105465981 1411069223 /nfs/dbraw/zinc/06/92/23/1411069223.db2.gz SSOLRKSQKXWSLE-HXUWFJFHSA-N 2 0 382.552 3.003 20 0 GGADRP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000105462986 1411069315 /nfs/dbraw/zinc/06/93/15/1411069315.db2.gz SLDJBXYPCZSEBR-MRXNPFEDSA-N 2 0 384.499 3.387 20 0 GGADRP COc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000105466999 1411069992 /nfs/dbraw/zinc/06/99/92/1411069992.db2.gz MQWGYLWUDBFMPK-KRWDZBQOSA-N 2 0 389.565 3.061 20 0 GGADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1CC[NH+](C)CC1 ZINC000105466749 1411070265 /nfs/dbraw/zinc/07/02/65/1411070265.db2.gz UEZWUZNSMCHBRV-CQSZACIVSA-N 2 0 392.887 3.234 20 0 GGADRP COc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OCc1ccccc1 ZINC000105477154 1411070677 /nfs/dbraw/zinc/07/06/77/1411070677.db2.gz YONAWCATLAPDPG-UHFFFAOYSA-N 2 0 397.563 3.391 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000105495567 1411072011 /nfs/dbraw/zinc/07/20/11/1411072011.db2.gz XOCFHBXUMNLTFG-UHFFFAOYSA-N 2 0 380.492 3.225 20 0 GGADRP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)c1)O[C@@H](C)C2 ZINC000105495342 1411072136 /nfs/dbraw/zinc/07/21/36/1411072136.db2.gz JPBPKPVJOQNTBA-KRWDZBQOSA-N 2 0 396.531 3.265 20 0 GGADRP COc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000176989740 1428543160 /nfs/dbraw/zinc/54/31/60/1428543160.db2.gz MWVSGCXKLSACCG-UHFFFAOYSA-N 2 0 397.563 3.390 20 0 GGADRP CCOc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000106485944 1411224126 /nfs/dbraw/zinc/22/41/26/1411224126.db2.gz VDEVMXVHJTTWOQ-HXUWFJFHSA-N 2 0 397.563 3.390 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000106486038 1411224334 /nfs/dbraw/zinc/22/43/34/1411224334.db2.gz XABXESSWHHCWCN-HXUWFJFHSA-N 2 0 389.547 3.265 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518950 1411228947 /nfs/dbraw/zinc/22/89/47/1411228947.db2.gz NHRPCOJZAOJGLB-FUHWJXTLSA-N 2 0 376.570 3.201 20 0 GGADRP CCC[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000107327739 1411360773 /nfs/dbraw/zinc/36/07/73/1411360773.db2.gz VVYJDRROUSJRCR-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000107329376 1411361050 /nfs/dbraw/zinc/36/10/50/1411361050.db2.gz HMQNZWXEEDWAGP-UHFFFAOYSA-N 2 0 386.584 3.211 20 0 GGADRP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000107328510 1411361164 /nfs/dbraw/zinc/36/11/64/1411361164.db2.gz NTUUKDDMIAZNPW-UHFFFAOYSA-N 2 0 392.975 3.478 20 0 GGADRP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000107385127 1411369070 /nfs/dbraw/zinc/36/90/70/1411369070.db2.gz PHCNQJMXJPDTMV-GOSISDBHSA-N 2 0 376.545 3.261 20 0 GGADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000107386463 1411369106 /nfs/dbraw/zinc/36/91/06/1411369106.db2.gz NSTMAQRYBOSNHL-OAQYLSRUSA-N 2 0 384.524 3.442 20 0 GGADRP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000107385752 1411369212 /nfs/dbraw/zinc/36/92/12/1411369212.db2.gz NDHIPBGGPOXGJW-GOSISDBHSA-N 2 0 376.545 3.259 20 0 GGADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529538 1411385055 /nfs/dbraw/zinc/38/50/55/1411385055.db2.gz MUORBMGYCAWBLP-NRFANRHFSA-N 2 0 387.593 3.326 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700441 1411399245 /nfs/dbraw/zinc/39/92/45/1411399245.db2.gz AIGHAROAJWYMFN-VXKWHMMOSA-N 2 0 380.536 3.426 20 0 GGADRP CSc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420736 1411496707 /nfs/dbraw/zinc/49/67/07/1411496707.db2.gz CGJZFSICNUACQV-FQEVSTJZSA-N 2 0 383.561 3.396 20 0 GGADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000108484867 1411517013 /nfs/dbraw/zinc/51/70/13/1411517013.db2.gz UNIFRGXXGNPGGL-QZTJIDSGSA-N 2 0 378.586 3.306 20 0 GGADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000108710231 1411581128 /nfs/dbraw/zinc/58/11/28/1411581128.db2.gz WWQVSSHAQVAUHJ-QHCPKHFHSA-N 2 0 377.532 3.386 20 0 GGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000108996155 1411657552 /nfs/dbraw/zinc/65/75/52/1411657552.db2.gz MCCHYGSQIDMQNW-HXUWFJFHSA-N 2 0 386.540 3.314 20 0 GGADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000109127794 1411690289 /nfs/dbraw/zinc/69/02/89/1411690289.db2.gz WGBGOZWVIZXZNA-UHFFFAOYSA-N 2 0 392.547 3.282 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339910 1411744530 /nfs/dbraw/zinc/74/45/30/1411744530.db2.gz MUOVOAQYHMHEFD-RBBKRZOGSA-N 2 0 383.511 3.457 20 0 GGADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343991 1411745186 /nfs/dbraw/zinc/74/51/86/1411745186.db2.gz CQJDYNJHBOQNAT-NRFANRHFSA-N 2 0 383.511 3.286 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000109444043 1411764932 /nfs/dbraw/zinc/76/49/32/1411764932.db2.gz XTEZLAOGMPMVBA-RTWAWAEBSA-N 2 0 375.557 3.459 20 0 GGADRP C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110428610 1411850326 /nfs/dbraw/zinc/85/03/26/1411850326.db2.gz PGTWCXVSYGWYOI-RUTNFUQLSA-N 2 0 393.616 3.137 20 0 GGADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110908500 1411876592 /nfs/dbraw/zinc/87/65/92/1411876592.db2.gz CZDJGDQLUOBGFW-UHFFFAOYSA-N 2 0 393.575 3.498 20 0 GGADRP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000111067402 1411885711 /nfs/dbraw/zinc/88/57/11/1411885711.db2.gz RMBCPAHBAJZFBP-HXUWFJFHSA-N 2 0 375.532 3.420 20 0 GGADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000111386836 1411938984 /nfs/dbraw/zinc/93/89/84/1411938984.db2.gz LPETXIZZVHSGQJ-GOSISDBHSA-N 2 0 396.457 3.218 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111418877 1411949118 /nfs/dbraw/zinc/94/91/18/1411949118.db2.gz SUROXHHWLWZHEF-HXUWFJFHSA-N 2 0 394.563 3.471 20 0 GGADRP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000111433729 1411952422 /nfs/dbraw/zinc/95/24/22/1411952422.db2.gz TUJRDFNYEQWINL-ICSRJNTNSA-N 2 0 384.524 3.236 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000111482167 1411977385 /nfs/dbraw/zinc/97/73/85/1411977385.db2.gz GCPHQVODBKHFAV-SFHVURJKSA-N 2 0 378.586 3.134 20 0 GGADRP CC(C)[NH2+]C1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000111845751 1412037251 /nfs/dbraw/zinc/03/72/51/1412037251.db2.gz ZFCKZBFQJDUUGQ-UHFFFAOYSA-N 2 0 378.586 3.132 20 0 GGADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000112631659 1412182535 /nfs/dbraw/zinc/18/25/35/1412182535.db2.gz WVUGYDLBGNIDRB-QZTJIDSGSA-N 2 0 384.524 3.100 20 0 GGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000112649025 1412186662 /nfs/dbraw/zinc/18/66/62/1412186662.db2.gz SHLWERSOIKXYKF-HDICACEKSA-N 2 0 392.975 3.159 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000112743979 1412208873 /nfs/dbraw/zinc/20/88/73/1412208873.db2.gz NDGQXAXBYGPZCT-IBGZPJMESA-N 2 0 384.568 3.346 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000177215625 1428636368 /nfs/dbraw/zinc/63/63/68/1428636368.db2.gz HNEPDHXMJHKCQS-SYNHAJSKSA-N 2 0 395.469 3.182 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000113364833 1412299025 /nfs/dbraw/zinc/29/90/25/1412299025.db2.gz GFORLYKMEKETON-LJQANCHMSA-N 2 0 387.572 3.133 20 0 GGADRP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113514811 1412311579 /nfs/dbraw/zinc/31/15/79/1412311579.db2.gz HLPNEIIPIRRSJZ-JCTONOIOSA-N 2 0 382.548 3.345 20 0 GGADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000113591529 1412318968 /nfs/dbraw/zinc/31/89/68/1412318968.db2.gz BGWDQQGIQUBZKQ-UXHICEINSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000113595024 1412319732 /nfs/dbraw/zinc/31/97/32/1412319732.db2.gz DADKRAQNBFGOGV-OALUTQOASA-N 2 0 384.568 3.434 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113602233 1412320796 /nfs/dbraw/zinc/32/07/96/1412320796.db2.gz RRJAXXSVUIZNAD-WOJBJXKFSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000113605600 1412321261 /nfs/dbraw/zinc/32/12/61/1412321261.db2.gz IKLDHCIMSLPCRE-HXUWFJFHSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000113625263 1412323107 /nfs/dbraw/zinc/32/31/07/1412323107.db2.gz YBALIPKNCJZLMH-SFHVURJKSA-N 2 0 381.524 3.043 20 0 GGADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1 ZINC000114197038 1412393119 /nfs/dbraw/zinc/39/31/19/1412393119.db2.gz YXLOGGYJJGISGV-UHFFFAOYSA-N 2 0 388.556 3.395 20 0 GGADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000114455489 1412436381 /nfs/dbraw/zinc/43/63/81/1412436381.db2.gz RGHAYQPIUVZHFA-UHFFFAOYSA-N 2 0 381.948 3.030 20 0 GGADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115794826 1412790369 /nfs/dbraw/zinc/79/03/69/1412790369.db2.gz YDKBHNXBQPZZHH-JOCHJYFZSA-N 2 0 386.584 3.402 20 0 GGADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298194 1428677461 /nfs/dbraw/zinc/67/74/61/1428677461.db2.gz OEAGTHIJXJAXLN-KRWDZBQOSA-N 2 0 389.565 3.239 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000116338904 1412851236 /nfs/dbraw/zinc/85/12/36/1412851236.db2.gz RIBBGGLYJSADHA-QGZVFWFLSA-N 2 0 389.975 3.104 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000116560984 1412877175 /nfs/dbraw/zinc/87/71/75/1412877175.db2.gz QQTJZWSIUFCPDJ-DENIHFKCSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000116560978 1412877330 /nfs/dbraw/zinc/87/73/30/1412877330.db2.gz QQTJZWSIUFCPDJ-KNQAVFIVSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000116560981 1412877376 /nfs/dbraw/zinc/87/73/76/1412877376.db2.gz QQTJZWSIUFCPDJ-SIKLNZKXSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000116561212 1412877385 /nfs/dbraw/zinc/87/73/85/1412877385.db2.gz SFTWQNRUAGSJDQ-LJQANCHMSA-N 2 0 384.568 3.482 20 0 GGADRP CC(C)[NH+](CCNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177345136 1428700394 /nfs/dbraw/zinc/70/03/94/1428700394.db2.gz IPARYFNDUJLLGC-BGYRXZFFSA-N 2 0 396.620 3.026 20 0 GGADRP CC(C)[NH+](CCNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000177345164 1428700500 /nfs/dbraw/zinc/70/05/00/1428700500.db2.gz IPARYFNDUJLLGC-WOJBJXKFSA-N 2 0 396.620 3.026 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000118546043 1413174288 /nfs/dbraw/zinc/17/42/88/1413174288.db2.gz QDORHEYTNFPSMG-UHFFFAOYSA-N 2 0 397.523 3.156 20 0 GGADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000118759520 1413216579 /nfs/dbraw/zinc/21/65/79/1413216579.db2.gz HEHULGKMGITPDO-UHFFFAOYSA-N 2 0 387.568 3.180 20 0 GGADRP Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000118988608 1413293563 /nfs/dbraw/zinc/29/35/63/1413293563.db2.gz WSIUCNJDGAGAPB-UHFFFAOYSA-N 2 0 380.374 3.406 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000119050201 1413316371 /nfs/dbraw/zinc/31/63/71/1413316371.db2.gz FODIKUCJCJSHEE-QUCCMNQESA-N 2 0 376.589 3.157 20 0 GGADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000119050310 1413317359 /nfs/dbraw/zinc/31/73/59/1413317359.db2.gz FODIKUCJCJSHEE-ICSRJNTNSA-N 2 0 376.589 3.157 20 0 GGADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000177408618 1428723376 /nfs/dbraw/zinc/72/33/76/1428723376.db2.gz BBJONHKTBCSLCC-UHFFFAOYSA-N 2 0 398.595 3.030 20 0 GGADRP CCOc1ccc(CN2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000119137855 1413351942 /nfs/dbraw/zinc/35/19/42/1413351942.db2.gz SEWDOZKUKXXLCO-UHFFFAOYSA-N 2 0 381.520 3.105 20 0 GGADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000119412582 1413438692 /nfs/dbraw/zinc/43/86/92/1413438692.db2.gz SCMRVJMLUWFWOZ-CYBMUJFWSA-N 2 0 383.330 3.430 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000119422275 1413442063 /nfs/dbraw/zinc/44/20/63/1413442063.db2.gz QDQZRZUYKPQWOT-GOSISDBHSA-N 2 0 379.508 3.407 20 0 GGADRP C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000119458198 1413453828 /nfs/dbraw/zinc/45/38/28/1413453828.db2.gz MDYSGKCQKUTEOS-OTWHNJEPSA-N 2 0 377.573 3.165 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000119472320 1413459086 /nfs/dbraw/zinc/45/90/86/1413459086.db2.gz CMDZXNFYTVEYGC-RTWAWAEBSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000119487268 1413463042 /nfs/dbraw/zinc/46/30/42/1413463042.db2.gz DIGOZTGKRYJQPT-OTWHNJEPSA-N 2 0 377.573 3.165 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000119604950 1413501595 /nfs/dbraw/zinc/50/15/95/1413501595.db2.gz YDMRXWBAHODODU-UHFFFAOYSA-N 2 0 396.579 3.395 20 0 GGADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc(C)c1OCc1ccccn1 ZINC000119623840 1413506881 /nfs/dbraw/zinc/50/68/81/1413506881.db2.gz WCTVQDNXXIQGKT-UHFFFAOYSA-N 2 0 396.579 3.395 20 0 GGADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000119631155 1413509234 /nfs/dbraw/zinc/50/92/34/1413509234.db2.gz KFADQBABFUVPPE-UHFFFAOYSA-N 2 0 389.975 3.010 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC000119644374 1413513567 /nfs/dbraw/zinc/51/35/67/1413513567.db2.gz UCTUDIHMGFRUEV-FQEVSTJZSA-N 2 0 384.499 3.385 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000119665844 1413522649 /nfs/dbraw/zinc/52/26/49/1413522649.db2.gz MVPKCFUNKJDGEU-HOTGVXAUSA-N 2 0 380.554 3.246 20 0 GGADRP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000119665712 1413522784 /nfs/dbraw/zinc/52/27/84/1413522784.db2.gz MVPKCFUNKJDGEU-IYBDPMFKSA-N 2 0 380.554 3.246 20 0 GGADRP Clc1ccc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCOCC2)cc1 ZINC000119785306 1413568212 /nfs/dbraw/zinc/56/82/12/1413568212.db2.gz RAAPFFJQYMNGDN-NRFANRHFSA-N 2 0 377.960 3.177 20 0 GGADRP Cc1nc(-c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)cs1 ZINC000119794771 1413572125 /nfs/dbraw/zinc/57/21/25/1413572125.db2.gz GNVDBDRXFIBWQN-UHFFFAOYSA-N 2 0 375.542 3.076 20 0 GGADRP CC1(C)C[C@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)O1 ZINC000119829725 1413585007 /nfs/dbraw/zinc/58/50/07/1413585007.db2.gz JTFXZTKDKLLBKH-SFHVURJKSA-N 2 0 391.581 3.110 20 0 GGADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C(F)(F)F)c1 ZINC000119978532 1413639634 /nfs/dbraw/zinc/63/96/34/1413639634.db2.gz VVFXWTDDYNOYEO-UHFFFAOYSA-N 2 0 390.450 3.061 20 0 GGADRP CC(C)c1nc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2s1 ZINC000119999300 1413648204 /nfs/dbraw/zinc/64/82/04/1413648204.db2.gz NHPZYALBRHVLMS-UHFFFAOYSA-N 2 0 377.558 3.377 20 0 GGADRP C[C@H]1OCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122347 1413696416 /nfs/dbraw/zinc/69/64/16/1413696416.db2.gz QYHXCVLWHDOWJB-VQIMIIECSA-N 2 0 385.474 3.375 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000120124359 1413696822 /nfs/dbraw/zinc/69/68/22/1413696822.db2.gz FICRDGIAHJSXLU-UHFFFAOYSA-N 2 0 375.517 3.082 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000120154931 1413710062 /nfs/dbraw/zinc/71/00/62/1413710062.db2.gz BINGDPSSMWNFBY-UHFFFAOYSA-N 2 0 392.491 3.140 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(OCC[NH+](C)C)c1 ZINC000120163212 1413713361 /nfs/dbraw/zinc/71/33/61/1413713361.db2.gz CURWIULCKXINEG-LJQANCHMSA-N 2 0 388.556 3.275 20 0 GGADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000120174397 1413718042 /nfs/dbraw/zinc/71/80/42/1413718042.db2.gz CXDOTPOLIYKXDH-UHFFFAOYSA-N 2 0 375.561 3.024 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000177487886 1428764334 /nfs/dbraw/zinc/76/43/34/1428764334.db2.gz CSNOEECKCQBFTD-ROUUACIJSA-N 2 0 391.531 3.366 20 0 GGADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177487614 1428764406 /nfs/dbraw/zinc/76/44/06/1428764406.db2.gz HMTNZGJQWMOWAF-ZCNNSNEGSA-N 2 0 381.605 3.232 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000177487902 1428764452 /nfs/dbraw/zinc/76/44/52/1428764452.db2.gz CSNOEECKCQBFTD-QZTJIDSGSA-N 2 0 391.531 3.366 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000120793540 1413904800 /nfs/dbraw/zinc/90/48/00/1413904800.db2.gz UMNSOZZBGQUBAX-RTBURBONSA-N 2 0 389.588 3.094 20 0 GGADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000120802212 1413907861 /nfs/dbraw/zinc/90/78/61/1413907861.db2.gz HHNPMFHWONWHOI-SJORKVTESA-N 2 0 389.975 3.368 20 0 GGADRP Fc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000120834301 1413919955 /nfs/dbraw/zinc/91/99/55/1413919955.db2.gz WBQZRBDSGDQWTF-XMMPIXPASA-N 2 0 397.538 3.453 20 0 GGADRP COC(=O)c1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000177494036 1428768179 /nfs/dbraw/zinc/76/81/79/1428768179.db2.gz NTOOXRJXZXXNJH-HOTGVXAUSA-N 2 0 378.513 3.086 20 0 GGADRP Cc1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120951648 1413958014 /nfs/dbraw/zinc/95/80/14/1413958014.db2.gz HTXLRCFKGRXFBM-UHFFFAOYSA-N 2 0 395.473 3.429 20 0 GGADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@@H](C)O1 ZINC000177495628 1428769442 /nfs/dbraw/zinc/76/94/42/1428769442.db2.gz LFVSGUXGLDKNLE-RTBURBONSA-N 2 0 387.568 3.100 20 0 GGADRP C[C@H]1C[NH+](CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177499358 1428770667 /nfs/dbraw/zinc/77/06/67/1428770667.db2.gz AAKCRAFNEABPKE-OALUTQOASA-N 2 0 398.551 3.490 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000177501103 1428771351 /nfs/dbraw/zinc/77/13/51/1428771351.db2.gz VYBMLSJZKHIJOX-HDICACEKSA-N 2 0 383.536 3.239 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121108292 1414010627 /nfs/dbraw/zinc/01/06/27/1414010627.db2.gz LQEDFDYMVNKBBO-SJORKVTESA-N 2 0 377.529 3.133 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000121109653 1414010981 /nfs/dbraw/zinc/01/09/81/1414010981.db2.gz FQGHVZHYYVYGKS-ZRBLBEILSA-N 2 0 383.580 3.444 20 0 GGADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121172523 1414032518 /nfs/dbraw/zinc/03/25/18/1414032518.db2.gz AEEMBKXMEUISAP-HSZRJFAPSA-N 2 0 388.552 3.321 20 0 GGADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000121266823 1414065222 /nfs/dbraw/zinc/06/52/22/1414065222.db2.gz OOIVHMGUHJUMIE-LJQANCHMSA-N 2 0 393.019 3.168 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121312163 1414080452 /nfs/dbraw/zinc/08/04/52/1414080452.db2.gz FUDVQJLULICTRO-ZLNRFVROSA-N 2 0 383.580 3.132 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177519167 1428779944 /nfs/dbraw/zinc/77/99/44/1428779944.db2.gz HBWCECUFQMMVLR-IBGZPJMESA-N 2 0 388.556 3.357 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000121317594 1414081847 /nfs/dbraw/zinc/08/18/47/1414081847.db2.gz VHXLVIBZVPQUDK-QIJUGHKUSA-N 2 0 388.552 3.463 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3coc4ccccc34)c2)C1 ZINC000121354506 1414092794 /nfs/dbraw/zinc/09/27/94/1414092794.db2.gz WWNAUTRKDLGNGU-LJQANCHMSA-N 2 0 377.488 3.420 20 0 GGADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121617072 1414202403 /nfs/dbraw/zinc/20/24/03/1414202403.db2.gz YOXWKQGTIJYDHA-HXUWFJFHSA-N 2 0 375.557 3.316 20 0 GGADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121659843 1414215222 /nfs/dbraw/zinc/21/52/22/1414215222.db2.gz LXEJXOSCZFHOJT-UHFFFAOYSA-N 2 0 389.437 3.124 20 0 GGADRP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121751619 1414246083 /nfs/dbraw/zinc/24/60/83/1414246083.db2.gz LSYMYSVCMBSKMD-JOCHJYFZSA-N 2 0 388.552 3.217 20 0 GGADRP CN(c1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000177558264 1428792471 /nfs/dbraw/zinc/79/24/71/1428792471.db2.gz NJNJVLFUGSFHDD-UHFFFAOYSA-N 2 0 381.520 3.278 20 0 GGADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121909763 1414302927 /nfs/dbraw/zinc/30/29/27/1414302927.db2.gz KJQZCJBVDCVYHQ-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122023663 1414342766 /nfs/dbraw/zinc/34/27/66/1414342766.db2.gz CHUMSQSLQCBNBG-IBGZPJMESA-N 2 0 387.568 3.460 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000122080480 1414357892 /nfs/dbraw/zinc/35/78/92/1414357892.db2.gz KRQGQCNETXEHTH-UHFFFAOYSA-N 2 0 388.508 3.069 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000122137390 1414370539 /nfs/dbraw/zinc/37/05/39/1414370539.db2.gz UPZZKGLOWUJLOO-LJQANCHMSA-N 2 0 375.557 3.392 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000122136886 1414371066 /nfs/dbraw/zinc/37/10/66/1414371066.db2.gz YOSXAWRMQBNZMU-LJQANCHMSA-N 2 0 375.557 3.392 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000122136395 1414371113 /nfs/dbraw/zinc/37/11/13/1414371113.db2.gz XCCBGBCLDOPDQH-LJQANCHMSA-N 2 0 387.568 3.035 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000122170913 1414379180 /nfs/dbraw/zinc/37/91/80/1414379180.db2.gz NDRFSHKZMDTCOD-MRXNPFEDSA-N 2 0 397.510 3.362 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000122293803 1414415661 /nfs/dbraw/zinc/41/56/61/1414415661.db2.gz YBRYAUIUAWREAY-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122393075 1414444765 /nfs/dbraw/zinc/44/47/65/1414444765.db2.gz XEZFJNLHQLMZRY-UGKGYDQZSA-N 2 0 382.552 3.022 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000122603416 1414514007 /nfs/dbraw/zinc/51/40/07/1414514007.db2.gz HOSMLLVKVJJPAM-SFHVURJKSA-N 2 0 392.613 3.476 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000122711730 1414545451 /nfs/dbraw/zinc/54/54/51/1414545451.db2.gz VOVRHRKZADAYJI-RDTXWAMCSA-N 2 0 381.467 3.103 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000122952938 1414604598 /nfs/dbraw/zinc/60/45/98/1414604598.db2.gz FBOAEDUZFQXZHM-INIZCTEOSA-N 2 0 385.508 3.272 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000123105880 1414643172 /nfs/dbraw/zinc/64/31/72/1414643172.db2.gz KQNRUCVHVVSPPA-NRFANRHFSA-N 2 0 388.531 3.060 20 0 GGADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123142428 1414652299 /nfs/dbraw/zinc/65/22/99/1414652299.db2.gz HJFFUPLBWDVVPE-UHFFFAOYSA-N 2 0 397.611 3.345 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123220686 1414671510 /nfs/dbraw/zinc/67/15/10/1414671510.db2.gz FPZWCJCWAJTIOB-UHFFFAOYSA-N 2 0 397.611 3.346 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]c3=O)cc2)CC1 ZINC000123330723 1414698362 /nfs/dbraw/zinc/69/83/62/1414698362.db2.gz KRMLORKVOPJUAV-UHFFFAOYSA-N 2 0 390.531 3.368 20 0 GGADRP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000123349678 1414703215 /nfs/dbraw/zinc/70/32/15/1414703215.db2.gz ZHMXOXPITRXBSA-IRLDBZIGSA-N 2 0 384.568 3.167 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177671789 1428829700 /nfs/dbraw/zinc/82/97/00/1428829700.db2.gz HXFDJXJRQFATKN-KCZVDYSFSA-N 2 0 398.595 3.413 20 0 GGADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000123651078 1414803889 /nfs/dbraw/zinc/80/38/89/1414803889.db2.gz CAALZTYZNZMJGN-UHFFFAOYSA-N 2 0 388.581 3.009 20 0 GGADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1S(C)(=O)=O ZINC000123652099 1414804003 /nfs/dbraw/zinc/80/40/03/1414804003.db2.gz VZKDAWHTFCXZQT-OAHLLOKOSA-N 2 0 376.522 3.011 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000123834032 1414831382 /nfs/dbraw/zinc/83/13/82/1414831382.db2.gz YCPNHNYCVPBRML-FYYLOGMGSA-N 2 0 396.579 3.093 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123860030 1414836658 /nfs/dbraw/zinc/83/66/58/1414836658.db2.gz FBNZUJJQHVGPHL-FYYLOGMGSA-N 2 0 396.579 3.441 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000123861365 1414837232 /nfs/dbraw/zinc/83/72/32/1414837232.db2.gz YMXHGWXFTNZLTF-UHFFFAOYSA-N 2 0 379.426 3.287 20 0 GGADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000123866718 1414838487 /nfs/dbraw/zinc/83/84/87/1414838487.db2.gz RJRWRYXDOYTFEK-UHFFFAOYSA-N 2 0 395.425 3.166 20 0 GGADRP C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000123947928 1414855554 /nfs/dbraw/zinc/85/55/54/1414855554.db2.gz IECCMWUWXQFGSU-FXAWDEMLSA-N 2 0 381.520 3.363 20 0 GGADRP CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000124208824 1414908545 /nfs/dbraw/zinc/90/85/45/1414908545.db2.gz HKKUEAGZJWWIJB-SFHVURJKSA-N 2 0 394.633 3.212 20 0 GGADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000124318854 1414937682 /nfs/dbraw/zinc/93/76/82/1414937682.db2.gz HJEAFNUYOOECPB-HXUWFJFHSA-N 2 0 386.540 3.314 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000124479286 1414977874 /nfs/dbraw/zinc/97/78/74/1414977874.db2.gz XKGYYRBZGFBELX-UHFFFAOYSA-N 2 0 377.529 3.012 20 0 GGADRP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000124484035 1414979020 /nfs/dbraw/zinc/97/90/20/1414979020.db2.gz AEZMNIAWQAIABI-SFHVURJKSA-N 2 0 376.545 3.035 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177769998 1428854241 /nfs/dbraw/zinc/85/42/41/1428854241.db2.gz PMZMIELCCBWRQP-SFHVURJKSA-N 2 0 379.508 3.118 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177770009 1428854251 /nfs/dbraw/zinc/85/42/51/1428854251.db2.gz PMZMIELCCBWRQP-GOSISDBHSA-N 2 0 379.508 3.118 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000177773154 1428855113 /nfs/dbraw/zinc/85/51/13/1428855113.db2.gz NBWQGUGGWYCYCB-SFHVURJKSA-N 2 0 379.508 3.118 20 0 GGADRP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000124656260 1415014578 /nfs/dbraw/zinc/01/45/78/1415014578.db2.gz PQSNYZZWYDBCOJ-SXLOBPIMSA-N 2 0 375.557 3.361 20 0 GGADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000124681971 1415020461 /nfs/dbraw/zinc/02/04/61/1415020461.db2.gz TZJCDBYLBMRCMS-FHWLQOOXSA-N 2 0 390.535 3.470 20 0 GGADRP [NH2+]=C1Nc2nc3ccccc3n2C2(CC[NH+](Cc3ccccc3Cl)CC2)N1 ZINC000124704586 1415025953 /nfs/dbraw/zinc/02/59/53/1415025953.db2.gz VNXJPCHNAVQION-UHFFFAOYSA-N 2 0 380.883 3.188 20 0 GGADRP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000124729267 1415031067 /nfs/dbraw/zinc/03/10/67/1415031067.db2.gz ZXUSZQAVZATFEX-DFQSSKMNSA-N 2 0 375.557 3.361 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000124882814 1415065943 /nfs/dbraw/zinc/06/59/43/1415065943.db2.gz IBKCHXUCGBZINS-GCJKJVERSA-N 2 0 380.536 3.210 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000124932172 1415075423 /nfs/dbraw/zinc/07/54/23/1415075423.db2.gz BUJFUTWKIZUDRR-SFHLNBCPSA-N 2 0 376.589 3.299 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OCC ZINC000177828021 1428866632 /nfs/dbraw/zinc/86/66/32/1428866632.db2.gz MOASFONHGPUQMW-GOSISDBHSA-N 2 0 398.551 3.482 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000177849158 1428872308 /nfs/dbraw/zinc/87/23/08/1428872308.db2.gz NJXIMTSLKPHUBB-FQEVSTJZSA-N 2 0 386.584 3.402 20 0 GGADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000125394764 1415186546 /nfs/dbraw/zinc/18/65/46/1415186546.db2.gz VIXJRZAMUGFTLJ-CYBMUJFWSA-N 2 0 390.496 3.074 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(-n2cnnn2)c1 ZINC000125445605 1415201097 /nfs/dbraw/zinc/20/10/97/1415201097.db2.gz DELODNNEEZQLAD-INIZCTEOSA-N 2 0 382.537 3.287 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125479315 1415211330 /nfs/dbraw/zinc/21/13/30/1415211330.db2.gz JNNIVLQSKPBMBO-GCJKJVERSA-N 2 0 384.568 3.213 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125516120 1415218493 /nfs/dbraw/zinc/21/84/93/1415218493.db2.gz RUIWJLCGUNDELW-INIZCTEOSA-N 2 0 382.537 3.287 20 0 GGADRP CCOc1ccc2cc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@@H+]3CC)[nH]c2c1 ZINC000125588854 1415233215 /nfs/dbraw/zinc/23/32/15/1415233215.db2.gz CCDSTXOUETULJZ-SFHVURJKSA-N 2 0 386.540 3.055 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000125654558 1415247075 /nfs/dbraw/zinc/24/70/75/1415247075.db2.gz HYWAFPWPRZICJV-OAQYLSRUSA-N 2 0 378.605 3.404 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125658329 1415248089 /nfs/dbraw/zinc/24/80/89/1415248089.db2.gz JHXQVVPPHOXCHV-MWXLCCTBSA-N 2 0 378.605 3.449 20 0 GGADRP CCOc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)c1OC ZINC000126052946 1415345493 /nfs/dbraw/zinc/34/54/93/1415345493.db2.gz MOAHKABBSBMGOI-UHFFFAOYSA-N 2 0 395.975 3.396 20 0 GGADRP Cc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc(C)c1OC(F)F ZINC000126057231 1415346817 /nfs/dbraw/zinc/34/68/17/1415346817.db2.gz PYIHNFHTHXCCMU-UHFFFAOYSA-N 2 0 390.478 3.341 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[NH+](C)C)cc1 ZINC000126066648 1415349411 /nfs/dbraw/zinc/34/94/11/1415349411.db2.gz AJXCNMXSCCYZKZ-HJNYFJLDSA-N 2 0 384.568 3.256 20 0 GGADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000126164165 1415374610 /nfs/dbraw/zinc/37/46/10/1415374610.db2.gz OKACMNVJCZSLKN-INIZCTEOSA-N 2 0 385.508 3.272 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3)cc2)CC1 ZINC000126352441 1415424307 /nfs/dbraw/zinc/42/43/07/1415424307.db2.gz ZQIUDVOLSZRJLQ-FQEVSTJZSA-N 2 0 394.563 3.331 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000126519773 1415476359 /nfs/dbraw/zinc/47/63/59/1415476359.db2.gz DYRQCRFAOPAASP-UHFFFAOYSA-N 2 0 386.515 3.161 20 0 GGADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000126644789 1415515779 /nfs/dbraw/zinc/51/57/79/1415515779.db2.gz SLQCBSALOCOTMB-SFHVURJKSA-N 2 0 380.536 3.243 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)CCCO2 ZINC000126653964 1415518320 /nfs/dbraw/zinc/51/83/20/1415518320.db2.gz MRFWVXBNCJOPQC-HSZRJFAPSA-N 2 0 395.547 3.446 20 0 GGADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000126686286 1415526520 /nfs/dbraw/zinc/52/65/20/1415526520.db2.gz JZILQKCZPBNQQW-UZKOGDIHSA-N 2 0 384.568 3.165 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126738631 1415543450 /nfs/dbraw/zinc/54/34/50/1415543450.db2.gz BRALGLYOBSQAJM-TZIWHRDSSA-N 2 0 376.589 3.301 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126738863 1415544111 /nfs/dbraw/zinc/54/41/11/1415544111.db2.gz BRALGLYOBSQAJM-CTNGQTDRSA-N 2 0 376.589 3.301 20 0 GGADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000178034624 1428947759 /nfs/dbraw/zinc/94/77/59/1428947759.db2.gz FVLSHXWQUBBSSB-KSZLIROESA-N 2 0 375.513 3.183 20 0 GGADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036980 1428949454 /nfs/dbraw/zinc/94/94/54/1428949454.db2.gz YDUPXLACUVUTEW-QRVBRYPASA-N 2 0 375.557 3.445 20 0 GGADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178037013 1428949552 /nfs/dbraw/zinc/94/95/52/1428949552.db2.gz YDUPXLACUVUTEW-IPMKNSEASA-N 2 0 375.557 3.445 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000126846942 1415583295 /nfs/dbraw/zinc/58/32/95/1415583295.db2.gz ZLMOZHRCCBKGSG-XLIONFOSSA-N 2 0 378.536 3.382 20 0 GGADRP O=C1OCCN1c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000127016684 1415637510 /nfs/dbraw/zinc/63/75/10/1415637510.db2.gz XFZRQYCDXZAKBP-UHFFFAOYSA-N 2 0 379.504 3.440 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000127233814 1415697709 /nfs/dbraw/zinc/69/77/09/1415697709.db2.gz ZZLMUZCNPUWBEJ-GOSISDBHSA-N 2 0 388.575 3.493 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000127289550 1415721456 /nfs/dbraw/zinc/72/14/56/1415721456.db2.gz LLSIBHJFAPJEOQ-GOSISDBHSA-N 2 0 376.564 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000127293880 1415722638 /nfs/dbraw/zinc/72/26/38/1415722638.db2.gz YBBRPPMBBBPRIZ-OXQOHEQNSA-N 2 0 385.531 3.429 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000127295096 1415723311 /nfs/dbraw/zinc/72/33/11/1415723311.db2.gz JAACZZAIXBEHBS-QZTJIDSGSA-N 3 0 376.564 3.349 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000127294294 1415724029 /nfs/dbraw/zinc/72/40/29/1415724029.db2.gz YBBRPPMBBBPRIZ-UZLBHIALSA-N 2 0 385.531 3.429 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178106445 1428983610 /nfs/dbraw/zinc/98/36/10/1428983610.db2.gz NVHYBNNPMVHHCI-OALUTQOASA-N 2 0 398.595 3.317 20 0 GGADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127570987 1415811539 /nfs/dbraw/zinc/81/15/39/1415811539.db2.gz KJARSJTUIVTVCM-WZONZLPQSA-N 2 0 385.527 3.344 20 0 GGADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127570520 1415811570 /nfs/dbraw/zinc/81/15/70/1415811570.db2.gz KJARSJTUIVTVCM-JPYJTQIMSA-N 2 0 385.527 3.344 20 0 GGADRP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000127572701 1415812128 /nfs/dbraw/zinc/81/21/28/1415812128.db2.gz PRFOFBZDVNZBJZ-NFBKMPQASA-N 2 0 383.580 3.274 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000127669717 1415829764 /nfs/dbraw/zinc/82/97/64/1415829764.db2.gz HMIUKQKHZJSVJE-PXNSSMCTSA-N 2 0 378.536 3.096 20 0 GGADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000178169778 1429005567 /nfs/dbraw/zinc/00/55/67/1429005567.db2.gz RTFFDODIETYZEO-MRXNPFEDSA-N 2 0 389.927 3.361 20 0 GGADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127748680 1415843565 /nfs/dbraw/zinc/84/35/65/1415843565.db2.gz CMBGZQKEVWIWOM-YMPZKCBVSA-N 2 0 396.579 3.482 20 0 GGADRP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000127898832 1415872528 /nfs/dbraw/zinc/87/25/28/1415872528.db2.gz UNGPQAPZCYYIGV-UWJYYQICSA-N 2 0 383.511 3.416 20 0 GGADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000127955139 1415882773 /nfs/dbraw/zinc/88/27/73/1415882773.db2.gz MORXDNXYXNGAAI-HOCLYGCPSA-N 2 0 385.524 3.282 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000127987202 1415888513 /nfs/dbraw/zinc/88/85/13/1415888513.db2.gz OHCUUQXDWDLRDC-ZWKOTPCHSA-N 2 0 398.576 3.365 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000128005682 1415892232 /nfs/dbraw/zinc/89/22/32/1415892232.db2.gz MFPBNNPFNIAUPN-WIYYLYMNSA-N 2 0 390.572 3.443 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@@H](C)O1 ZINC000128006090 1415892243 /nfs/dbraw/zinc/89/22/43/1415892243.db2.gz WNPHQMWJXGPWJG-RTBURBONSA-N 2 0 391.519 3.166 20 0 GGADRP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000178200433 1429016640 /nfs/dbraw/zinc/01/66/40/1429016640.db2.gz HJWUDVCAJWBRMV-CYBMUJFWSA-N 2 0 395.425 3.334 20 0 GGADRP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000178201620 1429016705 /nfs/dbraw/zinc/01/67/05/1429016705.db2.gz JRLAKABZCJJFEM-ZDUSSCGKSA-N 2 0 395.425 3.334 20 0 GGADRP CNC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000128105766 1415914320 /nfs/dbraw/zinc/91/43/20/1415914320.db2.gz ZXOGMBVRRZVKEQ-UHFFFAOYSA-N 2 0 394.563 3.047 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128240196 1415946259 /nfs/dbraw/zinc/94/62/59/1415946259.db2.gz KPKZHGZSTILWCP-IBGZPJMESA-N 2 0 389.588 3.239 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000128542828 1416009645 /nfs/dbraw/zinc/00/96/45/1416009645.db2.gz JROSKFXQERAJRJ-HXUWFJFHSA-N 2 0 384.524 3.017 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000128542586 1416009746 /nfs/dbraw/zinc/00/97/46/1416009746.db2.gz JROSKFXQERAJRJ-FQEVSTJZSA-N 2 0 384.524 3.017 20 0 GGADRP Cc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000128771037 1416064144 /nfs/dbraw/zinc/06/41/44/1416064144.db2.gz IOTVZJRUPXSQSD-UHFFFAOYSA-N 2 0 396.579 3.393 20 0 GGADRP C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000128812366 1416075198 /nfs/dbraw/zinc/07/51/98/1416075198.db2.gz TUGWQGCYADJFTE-KRWDZBQOSA-N 2 0 378.476 3.217 20 0 GGADRP Cc1cc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc(C)c1F ZINC000128821309 1416077639 /nfs/dbraw/zinc/07/76/39/1416077639.db2.gz JYJYLIYCHGVZGR-SFHVURJKSA-N 2 0 384.499 3.227 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000129319742 1416191032 /nfs/dbraw/zinc/19/10/32/1416191032.db2.gz LRGOWOMDIVWLKL-LPHOPBHVSA-N 2 0 380.964 3.316 20 0 GGADRP COc1ccc(C)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130194027 1416336996 /nfs/dbraw/zinc/33/69/96/1416336996.db2.gz XGNPGYBJLBBJTJ-UHFFFAOYSA-N 2 0 381.520 3.119 20 0 GGADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130217403 1416341229 /nfs/dbraw/zinc/34/12/29/1416341229.db2.gz QGAXWCWTBBPBEH-DLBZAZTESA-N 2 0 378.586 3.227 20 0 GGADRP C[NH+](C)Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000130393709 1416370210 /nfs/dbraw/zinc/37/02/10/1416370210.db2.gz BIGOUHWVZVOXSO-UHFFFAOYSA-N 2 0 394.563 3.080 20 0 GGADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130499501 1416388807 /nfs/dbraw/zinc/38/88/07/1416388807.db2.gz WVEURYIEUDFGLU-GOSISDBHSA-N 2 0 390.535 3.178 20 0 GGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000130523073 1416393661 /nfs/dbraw/zinc/39/36/61/1416393661.db2.gz SBQAGZWHNPWAMM-NRFANRHFSA-N 2 0 380.536 3.454 20 0 GGADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c2ccccc2n1 ZINC000130652451 1416417855 /nfs/dbraw/zinc/41/78/55/1416417855.db2.gz NOVZKVCXDBSRLS-UHFFFAOYSA-N 2 0 396.579 3.459 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000130677923 1416423347 /nfs/dbraw/zinc/42/33/47/1416423347.db2.gz CFEZBYZGHLINIS-GOSISDBHSA-N 2 0 380.602 3.189 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)c(OCC[NH+](C)C)c1 ZINC000130689665 1416425464 /nfs/dbraw/zinc/42/54/64/1416425464.db2.gz OIXBUUIHHFSJAQ-SFHVURJKSA-N 2 0 384.480 3.016 20 0 GGADRP Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c(OCC[NH+](C)C)c1 ZINC000130689885 1416425779 /nfs/dbraw/zinc/42/57/79/1416425779.db2.gz OIXBUUIHHFSJAQ-GOSISDBHSA-N 2 0 384.480 3.016 20 0 GGADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000130700128 1416428578 /nfs/dbraw/zinc/42/85/78/1416428578.db2.gz OEGAGRKSLQGHMY-UHFFFAOYSA-N 2 0 390.597 3.083 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000130734252 1416437913 /nfs/dbraw/zinc/43/79/13/1416437913.db2.gz SPZQQQZUYPJBIN-QFIPXVFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000178531548 1429098445 /nfs/dbraw/zinc/09/84/45/1429098445.db2.gz LRFOJADEPBNELQ-IBGZPJMESA-N 2 0 387.524 3.444 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000130813177 1416457286 /nfs/dbraw/zinc/45/72/86/1416457286.db2.gz KCXIUXRTBBUSOZ-QFIPXVFZSA-N 2 0 380.536 3.449 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000130813404 1416457769 /nfs/dbraw/zinc/45/77/69/1416457769.db2.gz KCXIUXRTBBUSOZ-JOCHJYFZSA-N 2 0 380.536 3.449 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000130891444 1416476418 /nfs/dbraw/zinc/47/64/18/1416476418.db2.gz OERRPUQWMXCIBJ-HXUWFJFHSA-N 2 0 390.478 3.129 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000130912545 1416479931 /nfs/dbraw/zinc/47/99/31/1416479931.db2.gz PFUIQQWXAOAGPY-UHFFFAOYSA-N 2 0 376.545 3.261 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539237 1429101825 /nfs/dbraw/zinc/10/18/25/1429101825.db2.gz KPPXXVCEEKANDV-DENIHFKCSA-N 2 0 399.583 3.085 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131080750 1416505684 /nfs/dbraw/zinc/50/56/84/1416505684.db2.gz GIEIIAMVVUNXLV-UHFFFAOYSA-N 2 0 383.584 3.287 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000131174433 1416519558 /nfs/dbraw/zinc/51/95/58/1416519558.db2.gz WTWXGNZUOYODKD-LJQANCHMSA-N 2 0 390.597 3.230 20 0 GGADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000131279099 1416534283 /nfs/dbraw/zinc/53/42/83/1416534283.db2.gz WSWUPBXIHRTHNZ-MSOLQXFVSA-N 2 0 381.586 3.388 20 0 GGADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000131288837 1416535398 /nfs/dbraw/zinc/53/53/98/1416535398.db2.gz VPBOINZURSURBG-UHFFFAOYSA-N 2 0 376.467 3.223 20 0 GGADRP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc(Cl)cc1 ZINC000131323183 1416539982 /nfs/dbraw/zinc/53/99/82/1416539982.db2.gz DMNMBEXYIZJMAL-QKLQHJQFSA-N 2 0 391.943 3.467 20 0 GGADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000131383884 1416548817 /nfs/dbraw/zinc/54/88/17/1416548817.db2.gz WIBNRUDMFZAWQW-QUVATAORSA-N 2 0 387.612 3.413 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000131418462 1416554863 /nfs/dbraw/zinc/55/48/63/1416554863.db2.gz QJFSRVPSTDQXHJ-SFHVURJKSA-N 2 0 387.572 3.171 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000131592491 1416581716 /nfs/dbraw/zinc/58/17/16/1416581716.db2.gz CJQOAAGGSFQNMU-MRXNPFEDSA-N 2 0 387.572 3.215 20 0 GGADRP O=C1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C1CCCCC1 ZINC000131649984 1416590579 /nfs/dbraw/zinc/59/05/79/1416590579.db2.gz XESGLAJDLXYFNR-JOCHJYFZSA-N 2 0 385.552 3.184 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000131699403 1416599293 /nfs/dbraw/zinc/59/92/93/1416599293.db2.gz RPWMWIPZXKTYNX-CTNGQTDRSA-N 2 0 398.551 3.406 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000132051526 1416682603 /nfs/dbraw/zinc/68/26/03/1416682603.db2.gz ZKGLBHSHDBVBTK-QGZVFWFLSA-N 2 0 387.572 3.169 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c1 ZINC000132096564 1416694875 /nfs/dbraw/zinc/69/48/75/1416694875.db2.gz KWJUOSLSEPBENG-UHFFFAOYSA-N 2 0 388.515 3.330 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132231624 1416721192 /nfs/dbraw/zinc/72/11/92/1416721192.db2.gz VCVSXMRZZGCROC-UWVAXJGDSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178635697 1429126476 /nfs/dbraw/zinc/12/64/76/1429126476.db2.gz MKTQOJRLUJHTDP-SFHVURJKSA-N 2 0 376.508 3.225 20 0 GGADRP CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C)CC1 ZINC000132496486 1416773054 /nfs/dbraw/zinc/77/30/54/1416773054.db2.gz HBCFQCQZAVRXCX-QFIPXVFZSA-N 2 0 393.019 3.166 20 0 GGADRP COC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000132504711 1416774907 /nfs/dbraw/zinc/77/49/07/1416774907.db2.gz QCDNLIFTCMAHAD-RTBURBONSA-N 2 0 387.490 3.255 20 0 GGADRP C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000132506299 1416774988 /nfs/dbraw/zinc/77/49/88/1416774988.db2.gz WAPPYKSCFQVZSH-RTWAWAEBSA-N 2 0 393.531 3.362 20 0 GGADRP Cc1ccnc(Oc2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2C)c1 ZINC000132517505 1416776686 /nfs/dbraw/zinc/77/66/86/1416776686.db2.gz VIHPIRFKFAEIBO-UHFFFAOYSA-N 2 0 399.539 3.448 20 0 GGADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OCC ZINC000132559816 1416784959 /nfs/dbraw/zinc/78/49/59/1416784959.db2.gz NWAYCMLYVAGYAA-QUCCMNQESA-N 2 0 377.573 3.407 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000132723744 1416808205 /nfs/dbraw/zinc/80/82/05/1416808205.db2.gz XYWFWWHGPNCQBI-CBZJRKILSA-N 2 0 386.561 3.232 20 0 GGADRP CN(c1ccccc1C[NH2+]CCCN1CCCCCC1=O)C1CC[NH+](C)CC1 ZINC000132738009 1416809784 /nfs/dbraw/zinc/80/97/84/1416809784.db2.gz XEZRRVSHJUVXME-UHFFFAOYSA-N 2 0 386.584 3.099 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000132881778 1416826676 /nfs/dbraw/zinc/82/66/76/1416826676.db2.gz FZUDDQWBKFRRJG-RXVVDRJESA-N 2 0 387.572 3.171 20 0 GGADRP Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000132902462 1416829210 /nfs/dbraw/zinc/82/92/10/1416829210.db2.gz CDNJLGDFDQJKNY-LJQANCHMSA-N 2 0 389.588 3.331 20 0 GGADRP Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000132902257 1416829318 /nfs/dbraw/zinc/82/93/18/1416829318.db2.gz CDNJLGDFDQJKNY-IBGZPJMESA-N 2 0 389.588 3.331 20 0 GGADRP CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000132981495 1416838354 /nfs/dbraw/zinc/83/83/54/1416838354.db2.gz NBNKIMZWXFJHOA-UHFFFAOYSA-N 2 0 380.536 3.465 20 0 GGADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000133000379 1416840457 /nfs/dbraw/zinc/84/04/57/1416840457.db2.gz VSJURKMOMHRYKW-LJQANCHMSA-N 2 0 391.987 3.395 20 0 GGADRP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC[N@@H+]1C ZINC000133076838 1416849537 /nfs/dbraw/zinc/84/95/37/1416849537.db2.gz KTPOXKYPUBTGRO-IPELMVKDSA-N 2 0 385.474 3.151 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000133101477 1416851894 /nfs/dbraw/zinc/85/18/94/1416851894.db2.gz OLYJOQIWZQBVFM-YKCBXCCJSA-N 2 0 399.501 3.397 20 0 GGADRP C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000133130330 1416855110 /nfs/dbraw/zinc/85/51/10/1416855110.db2.gz VWCZCJFJAWLYSW-UZLBHIALSA-N 2 0 399.501 3.399 20 0 GGADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133569410 1416906368 /nfs/dbraw/zinc/90/63/68/1416906368.db2.gz KMJPKFXXWKJKMZ-IBGZPJMESA-N 2 0 375.582 3.162 20 0 GGADRP Cc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576944 1416909238 /nfs/dbraw/zinc/90/92/38/1416909238.db2.gz VGHZTRCHFCMOAV-SFHVURJKSA-N 2 0 381.520 3.321 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831646 1416971790 /nfs/dbraw/zinc/97/17/90/1416971790.db2.gz WPOCNBQBNWTUTD-RTBURBONSA-N 2 0 387.572 3.028 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000133863339 1416981633 /nfs/dbraw/zinc/98/16/33/1416981633.db2.gz YKKIXZIVCFCVGK-OTWHNJEPSA-N 2 0 387.572 3.027 20 0 GGADRP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000133880958 1416987223 /nfs/dbraw/zinc/98/72/23/1416987223.db2.gz IBAPTXDBHJHICD-KRWDZBQOSA-N 2 0 387.499 3.155 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000133909107 1416992551 /nfs/dbraw/zinc/99/25/51/1416992551.db2.gz ZKOIXJCUXXMRDI-VXKWHMMOSA-N 2 0 386.584 3.128 20 0 GGADRP C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133998721 1417007784 /nfs/dbraw/zinc/00/77/84/1417007784.db2.gz URNOUGREASSBSL-JTSKRJEESA-N 2 0 386.561 3.499 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000134040278 1417013497 /nfs/dbraw/zinc/01/34/97/1417013497.db2.gz MCHDILFPPYSIKM-QFIPXVFZSA-N 2 0 386.584 3.450 20 0 GGADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134056206 1417015634 /nfs/dbraw/zinc/01/56/34/1417015634.db2.gz XCCPXPKXOKIBPP-UHFFFAOYSA-N 2 0 382.552 3.092 20 0 GGADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134123392 1417025482 /nfs/dbraw/zinc/02/54/82/1417025482.db2.gz WMHODZHKLAAKIV-UHFFFAOYSA-N 2 0 386.515 3.172 20 0 GGADRP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)CC23CCCCC3)C2(CCCCC2)C1 ZINC000178725487 1429152257 /nfs/dbraw/zinc/15/22/57/1429152257.db2.gz SSPYSMRXBVUJTQ-MDZDMXLPSA-N 2 0 388.644 3.443 20 0 GGADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134506341 1417078446 /nfs/dbraw/zinc/07/84/46/1417078446.db2.gz BHRKNKINWGAQJT-LPHOPBHVSA-N 2 0 396.938 3.257 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000178734819 1429156855 /nfs/dbraw/zinc/15/68/55/1429156855.db2.gz VKIZAQFZIFQHRJ-OALUTQOASA-N 2 0 376.545 3.084 20 0 GGADRP Cc1c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)nnn1C1CC[NH2+]CC1 ZINC000178741466 1429158558 /nfs/dbraw/zinc/15/85/58/1429158558.db2.gz RNSGTORNCWIRLO-UHFFFAOYSA-N 2 0 396.539 3.139 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134722061 1417116829 /nfs/dbraw/zinc/11/68/29/1417116829.db2.gz WUPGAIMMGJIYDJ-VSOVRNOCSA-N 2 0 384.568 3.069 20 0 GGADRP Cc1cc(C)c(CCNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134904443 1417142535 /nfs/dbraw/zinc/14/25/35/1417142535.db2.gz GIJYTBQRVWGDMQ-NFBKMPQASA-N 2 0 383.580 3.219 20 0 GGADRP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000134914569 1417144305 /nfs/dbraw/zinc/14/43/05/1417144305.db2.gz ZJBJIUGEIKSXGV-RDJZCZTQSA-N 2 0 376.545 3.407 20 0 GGADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000135131149 1417175879 /nfs/dbraw/zinc/17/58/79/1417175879.db2.gz ZDBCBUWGNCPASJ-IRXDYDNUSA-N 2 0 378.536 3.055 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135259234 1417198705 /nfs/dbraw/zinc/19/87/05/1417198705.db2.gz JMIMXQRHRMIEIW-AZUAARDMSA-N 2 0 393.547 3.062 20 0 GGADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135274340 1417200866 /nfs/dbraw/zinc/20/08/66/1417200866.db2.gz XLOKBXITFPBQSO-GGPKGHCWSA-N 2 0 393.547 3.060 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+](C)C)cc1 ZINC000135338440 1417209388 /nfs/dbraw/zinc/20/93/88/1417209388.db2.gz DSWGKSOHUZBKQY-NRFANRHFSA-N 2 0 386.515 3.298 20 0 GGADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000135339270 1417209503 /nfs/dbraw/zinc/20/95/03/1417209503.db2.gz AFGABUCKMZKQSN-OALUTQOASA-N 2 0 386.584 3.174 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000135339292 1417209677 /nfs/dbraw/zinc/20/96/77/1417209677.db2.gz AFGABUCKMZKQSN-RTBURBONSA-N 2 0 386.584 3.174 20 0 GGADRP C[NH+]1CCN(c2cc(CNCc3ccc(F)cc3Br)ccn2)CC1 ZINC000135892525 1417275830 /nfs/dbraw/zinc/27/58/30/1417275830.db2.gz PMVKTMOJQQXISX-UHFFFAOYSA-N 2 0 393.304 3.025 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136220032 1417301849 /nfs/dbraw/zinc/30/18/49/1417301849.db2.gz YAZIMDJSDZKPFZ-UHFFFAOYSA-N 2 0 379.508 3.114 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000136242798 1417304367 /nfs/dbraw/zinc/30/43/67/1417304367.db2.gz ZXBOWWNMUICKFC-RXVVDRJESA-N 2 0 388.531 3.046 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000136242687 1417304568 /nfs/dbraw/zinc/30/45/68/1417304568.db2.gz ZXBOWWNMUICKFC-WIYYLYMNSA-N 2 0 388.531 3.046 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC[C@@H]21 ZINC000136376197 1417312363 /nfs/dbraw/zinc/31/23/63/1417312363.db2.gz FFDYWEHTGVGFNE-SQNIBIBYSA-N 2 0 376.570 3.011 20 0 GGADRP C[NH+](C)CCOc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccn1 ZINC000136388522 1417313459 /nfs/dbraw/zinc/31/34/59/1417313459.db2.gz CLRCTMFOKKZGGZ-UHFFFAOYSA-N 2 0 382.508 3.260 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000136744771 1417342562 /nfs/dbraw/zinc/34/25/62/1417342562.db2.gz JNQOPVOFHVGCPJ-UHFFFAOYSA-N 2 0 386.540 3.275 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136745230 1417343424 /nfs/dbraw/zinc/34/34/24/1417343424.db2.gz YZHAURPYADVYRF-RBBKRZOGSA-N 2 0 384.568 3.085 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000136810355 1417347278 /nfs/dbraw/zinc/34/72/78/1417347278.db2.gz RPIGETCCQNBPMJ-NZSAHSFTSA-N 2 0 378.586 3.257 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1)C(C)C ZINC000136816129 1417347687 /nfs/dbraw/zinc/34/76/87/1417347687.db2.gz VFJGPVXMRYDLCN-HXUWFJFHSA-N 2 0 387.568 3.148 20 0 GGADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000137055598 1417365560 /nfs/dbraw/zinc/36/55/60/1417365560.db2.gz DSWRKKXFMWWCJM-UHFFFAOYSA-N 2 0 399.457 3.078 20 0 GGADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000139912264 1417480320 /nfs/dbraw/zinc/48/03/20/1417480320.db2.gz OMYLXWNLZPGNIF-SFHVURJKSA-N 2 0 390.597 3.274 20 0 GGADRP C[NH+]1CCC[C@@H]2C[NH+](CCCCCC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000139968924 1417483098 /nfs/dbraw/zinc/48/30/98/1417483098.db2.gz YAFGOAGETMJLIC-YCAMKHIRSA-N 4 0 390.660 3.379 20 0 GGADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000139967923 1417483201 /nfs/dbraw/zinc/48/32/01/1417483201.db2.gz KSINHDBYCPSCOA-UHFFFAOYSA-N 2 0 381.520 3.434 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000141137656 1417527661 /nfs/dbraw/zinc/52/76/61/1417527661.db2.gz KJUMTHKMNDOHMU-UZKOGDIHSA-N 2 0 384.568 3.338 20 0 GGADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C[NH+]1CCCCC1 ZINC000142189741 1417574343 /nfs/dbraw/zinc/57/43/43/1417574343.db2.gz XFNYXTFPLVZGDG-SFHVURJKSA-N 2 0 392.613 3.381 20 0 GGADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCCC1 ZINC000142189093 1417575074 /nfs/dbraw/zinc/57/50/74/1417575074.db2.gz PINPBFCOUREKIP-QGZVFWFLSA-N 2 0 378.586 3.134 20 0 GGADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000142208948 1417575849 /nfs/dbraw/zinc/57/58/49/1417575849.db2.gz HWPXVSQWXXIZKR-UHFFFAOYSA-N 2 0 390.597 3.230 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000178847919 1429194369 /nfs/dbraw/zinc/19/43/69/1429194369.db2.gz HZWMXZSVUWJROW-HXUWFJFHSA-N 2 0 386.584 3.450 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178847900 1429194449 /nfs/dbraw/zinc/19/44/49/1429194449.db2.gz GFQCHJMQTWWARX-GMAHTHKFSA-N 2 0 396.579 3.441 20 0 GGADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000178850939 1429194998 /nfs/dbraw/zinc/19/49/98/1429194998.db2.gz ALEDAURMKTVLSV-BEFAXECRSA-N 2 0 383.458 3.027 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145495964 1417690330 /nfs/dbraw/zinc/69/03/30/1417690330.db2.gz NWCYAJDDWYRHRM-LJQANCHMSA-N 2 0 388.625 3.380 20 0 GGADRP C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000145588894 1417693207 /nfs/dbraw/zinc/69/32/07/1417693207.db2.gz MOZNFDIAPMOSDD-OALUTQOASA-N 2 0 388.625 3.378 20 0 GGADRP C[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000145659745 1417695117 /nfs/dbraw/zinc/69/51/17/1417695117.db2.gz OFOBMNXAYCESAB-IBGZPJMESA-N 2 0 388.625 3.237 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145703116 1417697314 /nfs/dbraw/zinc/69/73/14/1417697314.db2.gz IWALCJUMRMAURU-RTBURBONSA-N 2 0 388.625 3.236 20 0 GGADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4CC[NH2+]CC4)cc3)CC2)c1 ZINC000178876452 1429206534 /nfs/dbraw/zinc/20/65/34/1429206534.db2.gz RCMDRZZPXBNINW-UHFFFAOYSA-N 2 0 392.547 3.255 20 0 GGADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000178876465 1429206733 /nfs/dbraw/zinc/20/67/33/1429206733.db2.gz FXKJRGMBXZNYFZ-IBGZPJMESA-N 2 0 380.536 3.111 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178882987 1429210302 /nfs/dbraw/zinc/21/03/02/1429210302.db2.gz KQCUQLBSQJIHPO-DENIHFKCSA-N 2 0 388.600 3.299 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178882998 1429210501 /nfs/dbraw/zinc/21/05/01/1429210501.db2.gz KQCUQLBSQJIHPO-KNQAVFIVSA-N 2 0 388.600 3.299 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000150768580 1417803474 /nfs/dbraw/zinc/80/34/74/1417803474.db2.gz YIAWGPRFHFCMEZ-KRWDZBQOSA-N 2 0 396.526 3.016 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000150947738 1417841811 /nfs/dbraw/zinc/84/18/11/1417841811.db2.gz TXKVGTTVYQBOKD-SFHVURJKSA-N 2 0 389.588 3.237 20 0 GGADRP Cc1cc([C@@](C)(O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000150985203 1417849486 /nfs/dbraw/zinc/84/94/86/1417849486.db2.gz MFRISPCBRAHKMV-QHCPKHFHSA-N 2 0 385.552 3.424 20 0 GGADRP CSC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCOCC1 ZINC000151006984 1417853817 /nfs/dbraw/zinc/85/38/17/1417853817.db2.gz UZMQSFNMQZAVSG-UHFFFAOYSA-N 2 0 377.598 3.219 20 0 GGADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000151133451 1417879106 /nfs/dbraw/zinc/87/91/06/1417879106.db2.gz NZSJTKFVPKTESY-RBUKOAKNSA-N 2 0 393.597 3.244 20 0 GGADRP CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151424296 1417962054 /nfs/dbraw/zinc/96/20/54/1417962054.db2.gz COOLWBDBEUXYPP-IRLDBZIGSA-N 2 0 384.568 3.167 20 0 GGADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)c(C)c2)CC1 ZINC000151434213 1417967599 /nfs/dbraw/zinc/96/75/99/1417967599.db2.gz QAZMNQIEUSXFND-UHFFFAOYSA-N 2 0 397.567 3.005 20 0 GGADRP Cc1cc(Br)ccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000151441264 1417970600 /nfs/dbraw/zinc/97/06/00/1417970600.db2.gz IMNLZJSDRUFBEY-UHFFFAOYSA-N 2 0 389.341 3.194 20 0 GGADRP C[C@H]([NH2+]C1CCCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000151533426 1418016548 /nfs/dbraw/zinc/01/65/48/1418016548.db2.gz JKRRKJLLSDKCMK-KRWDZBQOSA-N 2 0 381.586 3.290 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000151667106 1418055284 /nfs/dbraw/zinc/05/52/84/1418055284.db2.gz VLZGKGXVUUMCKF-DNVJHFABSA-N 2 0 398.595 3.414 20 0 GGADRP C[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151687023 1418060824 /nfs/dbraw/zinc/06/08/24/1418060824.db2.gz SUKIFMQYJHYGLL-XZOQPEGZSA-N 2 0 398.595 3.414 20 0 GGADRP C[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151686881 1418060892 /nfs/dbraw/zinc/06/08/92/1418060892.db2.gz SUKIFMQYJHYGLL-DHIUTWEWSA-N 2 0 398.595 3.414 20 0 GGADRP C[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151687093 1418061322 /nfs/dbraw/zinc/06/13/22/1418061322.db2.gz SUKIFMQYJHYGLL-GOTSBHOMSA-N 2 0 398.595 3.414 20 0 GGADRP Cc1ccc(-n2cc(C[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151767112 1418082298 /nfs/dbraw/zinc/08/22/98/1418082298.db2.gz NCVZMNZEABKDDS-FQEVSTJZSA-N 2 0 397.611 3.451 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000152097512 1418144705 /nfs/dbraw/zinc/14/47/05/1418144705.db2.gz ASBJPQRNFCQCEB-GMAHTHKFSA-N 2 0 399.579 3.000 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000152178194 1418166121 /nfs/dbraw/zinc/16/61/21/1418166121.db2.gz XPVMQNGWFOTZJA-UHFFFAOYSA-N 2 0 384.568 3.311 20 0 GGADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000152180951 1418166565 /nfs/dbraw/zinc/16/65/65/1418166565.db2.gz DIOJIENXIDGHPM-UHFFFAOYSA-N 2 0 399.583 3.229 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000152212175 1418174040 /nfs/dbraw/zinc/17/40/40/1418174040.db2.gz GWOZEFLZAHASOG-IBGZPJMESA-N 2 0 387.572 3.028 20 0 GGADRP CS[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000179111121 1429265595 /nfs/dbraw/zinc/26/55/95/1429265595.db2.gz GAYRYKYPNIZQET-NRFANRHFSA-N 2 0 389.609 3.293 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccccc1F ZINC000179388345 1429354061 /nfs/dbraw/zinc/35/40/61/1429354061.db2.gz RAOVRWLLLSQORC-FQEVSTJZSA-N 2 0 387.499 3.199 20 0 GGADRP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394197 1429357323 /nfs/dbraw/zinc/35/73/23/1429357323.db2.gz VYKLPHJABKIXOT-QFIPXVFZSA-N 2 0 383.536 3.368 20 0 GGADRP Cc1ccccc1OC[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394187 1429357420 /nfs/dbraw/zinc/35/74/20/1429357420.db2.gz VYKLPHJABKIXOT-JOCHJYFZSA-N 2 0 383.536 3.368 20 0 GGADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccc(F)cc1 ZINC000179396756 1429358381 /nfs/dbraw/zinc/35/83/81/1429358381.db2.gz YYISDOOTRLZLGD-OAQYLSRUSA-N 2 0 387.499 3.199 20 0 GGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468930 1429385770 /nfs/dbraw/zinc/38/57/70/1429385770.db2.gz CYUJYNUHHAGDEF-OAHLLOKOSA-N 2 0 387.915 3.353 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496271 1429394614 /nfs/dbraw/zinc/39/46/14/1429394614.db2.gz PARFZXJGJLWBPO-CVDCTZTESA-N 2 0 395.547 3.469 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179511756 1429403373 /nfs/dbraw/zinc/40/33/73/1429403373.db2.gz YIZWMZHYCODEQG-MRXNPFEDSA-N 2 0 397.523 3.157 20 0 GGADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cnn(Cc2ccccc2)c1 ZINC000179509178 1429401661 /nfs/dbraw/zinc/40/16/61/1429401661.db2.gz RPJDEOGIVFCLPK-GOSISDBHSA-N 2 0 379.508 3.118 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679397 1429503675 /nfs/dbraw/zinc/50/36/75/1429503675.db2.gz LJKJEOZWXGNFNP-NRFANRHFSA-N 2 0 389.540 3.082 20 0 GGADRP COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000179683850 1429505909 /nfs/dbraw/zinc/50/59/09/1429505909.db2.gz DDXDUJLWDZFUAT-UHFFFAOYSA-N 2 0 390.572 3.351 20 0 GGADRP Cc1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000179684793 1429505925 /nfs/dbraw/zinc/50/59/25/1429505925.db2.gz OXTRNACYDRNCOV-UHFFFAOYSA-N 2 0 383.330 3.007 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000152327810 1422073759 /nfs/dbraw/zinc/07/37/59/1422073759.db2.gz MECAZHYZWLKKDK-UHFFFAOYSA-N 2 0 386.515 3.090 20 0 GGADRP CCOC(=O)N1CCC([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000152460875 1422110160 /nfs/dbraw/zinc/11/01/60/1422110160.db2.gz NPOPELCIWDOGPM-GOSISDBHSA-N 2 0 389.540 3.097 20 0 GGADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152464829 1422110727 /nfs/dbraw/zinc/11/07/27/1422110727.db2.gz HYVRSGAJKXTAGW-ZIAGYGMSSA-N 2 0 385.430 3.376 20 0 GGADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179750189 1429537646 /nfs/dbraw/zinc/53/76/46/1429537646.db2.gz WELQHWYIEKRVSF-UHFFFAOYSA-N 2 0 387.572 3.061 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC2)CC1 ZINC000152682870 1422207964 /nfs/dbraw/zinc/20/79/64/1422207964.db2.gz ULBIFNXPOLGGGN-MWXLCCTBSA-N 2 0 376.589 3.157 20 0 GGADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000152773328 1422243934 /nfs/dbraw/zinc/24/39/34/1422243934.db2.gz ZVGWJPSNBNYZGN-CBNMVNINSA-N 2 0 376.589 3.299 20 0 GGADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153263856 1422427632 /nfs/dbraw/zinc/42/76/32/1422427632.db2.gz FDSKCDFVGSMRFW-NRFANRHFSA-N 2 0 380.536 3.399 20 0 GGADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000153565338 1422620720 /nfs/dbraw/zinc/62/07/20/1422620720.db2.gz VRZLCGLRWGOGQA-VQIMIIECSA-N 2 0 396.938 3.209 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000153602806 1422643305 /nfs/dbraw/zinc/64/33/05/1422643305.db2.gz KYAOIQJECAHWIU-NRFANRHFSA-N 2 0 384.524 3.190 20 0 GGADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000153961143 1422817728 /nfs/dbraw/zinc/81/77/28/1422817728.db2.gz DKWBKFLVUBSTEB-IBGZPJMESA-N 2 0 393.959 3.247 20 0 GGADRP Fc1cccnc1N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000153994401 1422822415 /nfs/dbraw/zinc/82/24/15/1422822415.db2.gz RZLXKEIZWKPHIG-LJQANCHMSA-N 2 0 384.499 3.064 20 0 GGADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000154089752 1422839009 /nfs/dbraw/zinc/83/90/09/1422839009.db2.gz BPAPXLZQKJFJCQ-SFHVURJKSA-N 2 0 376.545 3.150 20 0 GGADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154218489 1422857112 /nfs/dbraw/zinc/85/71/12/1422857112.db2.gz DOAGHWFUIRRWJD-IBGZPJMESA-N 2 0 389.588 3.239 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154223689 1422857854 /nfs/dbraw/zinc/85/78/54/1422857854.db2.gz BIMCJZQJAVNIAC-HXUWFJFHSA-N 2 0 383.584 3.476 20 0 GGADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000154539001 1422912681 /nfs/dbraw/zinc/91/26/81/1422912681.db2.gz RLUCZWJEICFSGP-SFHVURJKSA-N 2 0 389.565 3.076 20 0 GGADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000154590738 1422948364 /nfs/dbraw/zinc/94/83/64/1422948364.db2.gz WEIKYZDQXUIEKB-NRFANRHFSA-N 2 0 383.511 3.416 20 0 GGADRP COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000179835965 1429603340 /nfs/dbraw/zinc/60/33/40/1429603340.db2.gz HLWVYEZFGPJFAX-SFHVURJKSA-N 2 0 389.584 3.215 20 0 GGADRP Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000154644474 1422981171 /nfs/dbraw/zinc/98/11/71/1422981171.db2.gz OEPXLAFFCGORBF-UHFFFAOYSA-N 2 0 376.545 3.320 20 0 GGADRP Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000154648842 1422982495 /nfs/dbraw/zinc/98/24/95/1422982495.db2.gz NWAZIFRXGJCCNA-QGZVFWFLSA-N 2 0 390.553 3.421 20 0 GGADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000154709853 1423008921 /nfs/dbraw/zinc/00/89/21/1423008921.db2.gz PXQFBEAKFYKPLA-SFHVURJKSA-N 2 0 387.524 3.188 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000179884271 1429624508 /nfs/dbraw/zinc/62/45/08/1429624508.db2.gz YFUHJZKMZGYSOE-CALCHBBNSA-N 2 0 388.581 3.470 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000155307721 1423310594 /nfs/dbraw/zinc/31/05/94/1423310594.db2.gz LBFSWFXXYGJCDK-UXHICEINSA-N 2 0 376.520 3.088 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 ZINC000155411580 1423352957 /nfs/dbraw/zinc/35/29/57/1423352957.db2.gz RHDWLSVVHNWJPP-SFTDATJTSA-N 2 0 399.535 3.070 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc([S@](C)=O)cc3)CC2)c1 ZINC000155424941 1423357890 /nfs/dbraw/zinc/35/78/90/1423357890.db2.gz BFTHSPNMHHOGRC-MUUNZHRXSA-N 2 0 399.604 3.424 20 0 GGADRP COc1cccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)c1 ZINC000155495580 1423386180 /nfs/dbraw/zinc/38/61/80/1423386180.db2.gz CSPXSVQFMJHJJV-QFIPXVFZSA-N 2 0 381.520 3.324 20 0 GGADRP C[S@@](=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000155540937 1423408967 /nfs/dbraw/zinc/40/89/67/1423408967.db2.gz SJGVBFAEQSJWLP-NDEPHWFRSA-N 2 0 399.604 3.112 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155568768 1423423344 /nfs/dbraw/zinc/42/33/44/1423423344.db2.gz DBNWHGCDERBGOV-PMACEKPBSA-N 2 0 383.584 3.474 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619093 1423449602 /nfs/dbraw/zinc/44/96/02/1423449602.db2.gz CGVUYZOKSYEPQE-UYAOXDASSA-N 2 0 384.568 3.378 20 0 GGADRP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000155626642 1423454957 /nfs/dbraw/zinc/45/49/57/1423454957.db2.gz UNCPJNGMHOEQOZ-SFHVURJKSA-N 2 0 384.568 3.468 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000155686800 1423487239 /nfs/dbraw/zinc/48/72/39/1423487239.db2.gz QLDLGQSGRDUMIJ-QGZVFWFLSA-N 2 0 391.531 3.304 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000155700194 1423493653 /nfs/dbraw/zinc/49/36/53/1423493653.db2.gz FWZWWJUSJFZVJW-DBXWQHBBSA-N 2 0 378.992 3.170 20 0 GGADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000155725518 1423505536 /nfs/dbraw/zinc/50/55/36/1423505536.db2.gz QQAAKGYOJFRMLP-OALUTQOASA-N 2 0 395.547 3.287 20 0 GGADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000155750860 1423516038 /nfs/dbraw/zinc/51/60/38/1423516038.db2.gz RCFYBQYEZXDBCB-KRWDZBQOSA-N 2 0 396.982 3.059 20 0 GGADRP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155793218 1423536915 /nfs/dbraw/zinc/53/69/15/1423536915.db2.gz FTDUKCZZFLUKPU-PGRDOPGGSA-N 2 0 384.568 3.308 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc4ccc(C)cn34)cc2)CC1 ZINC000155864549 1423567267 /nfs/dbraw/zinc/56/72/67/1423567267.db2.gz NEJJDUNNTMQNLI-UHFFFAOYSA-N 2 0 377.536 3.070 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000179943213 1429654402 /nfs/dbraw/zinc/65/44/02/1429654402.db2.gz ABXSNBSAQXAQFR-QGZVFWFLSA-N 2 0 390.549 3.271 20 0 GGADRP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000179948185 1429657586 /nfs/dbraw/zinc/65/75/86/1429657586.db2.gz ATSSSOJMSXQPKB-QGZVFWFLSA-N 2 0 390.549 3.271 20 0 GGADRP Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000156054194 1423653284 /nfs/dbraw/zinc/65/32/84/1423653284.db2.gz YYIAZCGVPKTZME-UHFFFAOYSA-N 2 0 378.442 3.450 20 0 GGADRP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000156262065 1423748277 /nfs/dbraw/zinc/74/82/77/1423748277.db2.gz WUEZINWFDMAZGY-RTWAWAEBSA-N 2 0 378.605 3.403 20 0 GGADRP CC[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000156311489 1423771654 /nfs/dbraw/zinc/77/16/54/1423771654.db2.gz NZJIEYDJJOQPFB-GOTSBHOMSA-N 2 0 398.595 3.483 20 0 GGADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156379264 1423802315 /nfs/dbraw/zinc/80/23/15/1423802315.db2.gz FBNZNZNVNPQDEM-FGZHOGPDSA-N 2 0 384.568 3.483 20 0 GGADRP Cc1ccc2ncc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)n2c1 ZINC000156538777 1423824706 /nfs/dbraw/zinc/82/47/06/1423824706.db2.gz QNSMLPSNUZHPMY-KRWDZBQOSA-N 2 0 381.499 3.384 20 0 GGADRP CCOCc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000179987411 1429676205 /nfs/dbraw/zinc/67/62/05/1429676205.db2.gz XWVGEIZECYMSLN-UHFFFAOYSA-N 2 0 376.541 3.309 20 0 GGADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156791653 1423865777 /nfs/dbraw/zinc/86/57/77/1423865777.db2.gz WOWMRZDZTQQHJO-VXKWHMMOSA-N 2 0 384.568 3.311 20 0 GGADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156797992 1423866662 /nfs/dbraw/zinc/86/66/62/1423866662.db2.gz XBZUQIMNUBBZNQ-LJQANCHMSA-N 2 0 394.629 3.008 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906765 1423883608 /nfs/dbraw/zinc/88/36/08/1423883608.db2.gz LEXPZHGVMGDJJZ-NZQKXSOJSA-N 2 0 393.531 3.170 20 0 GGADRP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156912397 1423884802 /nfs/dbraw/zinc/88/48/02/1423884802.db2.gz QYARVZZTFRQYJO-PXNSSMCTSA-N 2 0 381.520 3.243 20 0 GGADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156929822 1423888302 /nfs/dbraw/zinc/88/83/02/1423888302.db2.gz FQOJYTPZADVCOU-CVDCTZTESA-N 2 0 379.548 3.413 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccccc43)c2)C1 ZINC000156932194 1423888888 /nfs/dbraw/zinc/88/88/88/1423888888.db2.gz ZFZWHEXJTSKSBC-UNMCSNQZSA-N 2 0 393.531 3.387 20 0 GGADRP CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156936104 1423889704 /nfs/dbraw/zinc/88/97/04/1423889704.db2.gz NQPSGAFHRKGXFV-GOTSBHOMSA-N 2 0 379.548 3.495 20 0 GGADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000157068896 1423917259 /nfs/dbraw/zinc/91/72/59/1423917259.db2.gz KGUVXRBTUVCOAH-QGZVFWFLSA-N 2 0 393.959 3.031 20 0 GGADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157289124 1423976289 /nfs/dbraw/zinc/97/62/89/1423976289.db2.gz VFJZHXKYTFVWFX-MOPGFXCFSA-N 2 0 387.572 3.171 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000157403815 1424003969 /nfs/dbraw/zinc/00/39/69/1424003969.db2.gz IHFWJDFLPPKUAE-HXUWFJFHSA-N 2 0 398.551 3.092 20 0 GGADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000157403656 1424004067 /nfs/dbraw/zinc/00/40/67/1424004067.db2.gz IHFWJDFLPPKUAE-FQEVSTJZSA-N 2 0 398.551 3.092 20 0 GGADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000180015472 1429692975 /nfs/dbraw/zinc/69/29/75/1429692975.db2.gz ZAPBXPWBZGDIFG-WIYYLYMNSA-N 2 0 399.645 3.069 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000157706198 1424069547 /nfs/dbraw/zinc/06/95/47/1424069547.db2.gz HTQVOWVWYPXBRJ-MRXNPFEDSA-N 2 0 382.936 3.228 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000157715104 1424073068 /nfs/dbraw/zinc/07/30/68/1424073068.db2.gz FFOLKXOEUMJCIK-MOPGFXCFSA-N 2 0 398.551 3.098 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1N1CCCC1 ZINC000157754761 1424080846 /nfs/dbraw/zinc/08/08/46/1424080846.db2.gz RRIUAIQGWKIQPH-IBGZPJMESA-N 2 0 387.572 3.167 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OC(F)F)c1 ZINC000157896154 1424115244 /nfs/dbraw/zinc/11/52/44/1424115244.db2.gz SPSZRIIVSVOGAK-INIZCTEOSA-N 2 0 384.471 3.168 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccco1 ZINC000157928855 1424122264 /nfs/dbraw/zinc/12/22/64/1424122264.db2.gz GLGNHNWOOLCIET-RTBURBONSA-N 2 0 376.545 3.322 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000158070153 1424156706 /nfs/dbraw/zinc/15/67/06/1424156706.db2.gz OQCGSGGKVLPVJX-KRWDZBQOSA-N 2 0 390.528 3.074 20 0 GGADRP O=C1[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCCN1CC(F)(F)F ZINC000158131003 1424174775 /nfs/dbraw/zinc/17/47/75/1424174775.db2.gz UFDPIBXAGHKROV-SFHVURJKSA-N 2 0 383.458 3.315 20 0 GGADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158142623 1424177745 /nfs/dbraw/zinc/17/77/45/1424177745.db2.gz ICRHJDZWXULDRI-LJQANCHMSA-N 2 0 397.485 3.384 20 0 GGADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158143353 1424177912 /nfs/dbraw/zinc/17/79/12/1424177912.db2.gz NKNTVYUTAUOOGC-YZGWKJHDSA-N 2 0 386.540 3.075 20 0 GGADRP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000158172461 1424186203 /nfs/dbraw/zinc/18/62/03/1424186203.db2.gz GWOTVKLXMWPIEZ-RDJZCZTQSA-N 2 0 383.577 3.300 20 0 GGADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1S(C)(=O)=O ZINC000158179869 1424187342 /nfs/dbraw/zinc/18/73/42/1424187342.db2.gz GHTAFHIQQDMTCX-QGZVFWFLSA-N 2 0 382.570 3.261 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1OC(F)F ZINC000158177794 1424187632 /nfs/dbraw/zinc/18/76/32/1424187632.db2.gz LLZXJPAJDYWKCD-MRXNPFEDSA-N 2 0 398.498 3.476 20 0 GGADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1S(C)(=O)=O ZINC000158179722 1424187807 /nfs/dbraw/zinc/18/78/07/1424187807.db2.gz GHTAFHIQQDMTCX-KRWDZBQOSA-N 2 0 382.570 3.261 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000158194089 1424191792 /nfs/dbraw/zinc/19/17/92/1424191792.db2.gz CQZJTGAUTHKEME-OAQYLSRUSA-N 2 0 389.588 3.411 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000158196686 1424192434 /nfs/dbraw/zinc/19/24/34/1424192434.db2.gz SDGRLIVKJFFPOB-IEBWSBKVSA-N 2 0 383.577 3.255 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000158196826 1424192522 /nfs/dbraw/zinc/19/25/22/1424192522.db2.gz SDGRLIVKJFFPOB-HKUYNNGSSA-N 2 0 383.577 3.255 20 0 GGADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000158205275 1424194605 /nfs/dbraw/zinc/19/46/05/1424194605.db2.gz BIVHCKYWXZEPLJ-SJLPKXTDSA-N 2 0 383.577 3.253 20 0 GGADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000158381530 1424240666 /nfs/dbraw/zinc/24/06/66/1424240666.db2.gz VJUXWYACLPSMDH-UHFFFAOYSA-N 2 0 379.932 3.450 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457902 1424260828 /nfs/dbraw/zinc/26/08/28/1424260828.db2.gz NCBPRUZSBHLQPB-WIYYLYMNSA-N 2 0 387.572 3.027 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457689 1424261234 /nfs/dbraw/zinc/26/12/34/1424261234.db2.gz NCBPRUZSBHLQPB-GHTZIAJQSA-N 2 0 387.572 3.027 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000158474192 1424266707 /nfs/dbraw/zinc/26/67/07/1424266707.db2.gz VBVGXYNCFKIWNY-WOJBJXKFSA-N 2 0 388.556 3.385 20 0 GGADRP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000158689660 1424320500 /nfs/dbraw/zinc/32/05/00/1424320500.db2.gz ZTOTWVKNPGOBIR-HYBUGGRVSA-N 2 0 397.563 3.179 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000158701593 1424322892 /nfs/dbraw/zinc/32/28/92/1424322892.db2.gz XKADQRBAIITABI-UHFFFAOYSA-N 2 0 390.547 3.354 20 0 GGADRP CCCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1 ZINC000158731893 1424329231 /nfs/dbraw/zinc/32/92/31/1424329231.db2.gz PBKFIGKMRVIEKV-UHFFFAOYSA-N 2 0 396.526 3.303 20 0 GGADRP Cc1cccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cc(=O)n12 ZINC000158912756 1424370951 /nfs/dbraw/zinc/37/09/51/1424370951.db2.gz JXVCTWWTEVDNLP-SFHVURJKSA-N 2 0 382.552 3.479 20 0 GGADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC000159156140 1424429989 /nfs/dbraw/zinc/42/99/89/1424429989.db2.gz QLPKPZFGMOHRBH-IBGZPJMESA-N 2 0 384.524 3.092 20 0 GGADRP C[NH+](C)CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000159186475 1424438591 /nfs/dbraw/zinc/43/85/91/1424438591.db2.gz MOCLIIBQZYXSFO-GOSISDBHSA-N 2 0 378.586 3.401 20 0 GGADRP COc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1SC ZINC000159186136 1424438651 /nfs/dbraw/zinc/43/86/51/1424438651.db2.gz ULJOLDBTEBNEIH-INIZCTEOSA-N 2 0 386.565 3.415 20 0 GGADRP COc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1SC ZINC000159186272 1424438719 /nfs/dbraw/zinc/43/87/19/1424438719.db2.gz ULJOLDBTEBNEIH-MRXNPFEDSA-N 2 0 386.565 3.415 20 0 GGADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000159192875 1424439587 /nfs/dbraw/zinc/43/95/87/1424439587.db2.gz HITQAVHTRVGCLV-NRFANRHFSA-N 2 0 380.536 3.454 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000180077719 1429727498 /nfs/dbraw/zinc/72/74/98/1429727498.db2.gz MRKMHBQJBUSSHK-FQEVSTJZSA-N 2 0 377.891 3.054 20 0 GGADRP COc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C(C)C)cc1 ZINC000180086588 1429730563 /nfs/dbraw/zinc/73/05/63/1429730563.db2.gz NYHSXYHXGFCPJW-QFIPXVFZSA-N 2 0 383.536 3.474 20 0 GGADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000159608432 1424517607 /nfs/dbraw/zinc/51/76/07/1424517607.db2.gz FIRUFSVVDSLEEX-OAHLLOKOSA-N 2 0 379.570 3.186 20 0 GGADRP COCC[N@H+](C)CCCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC000159871143 1424546782 /nfs/dbraw/zinc/54/67/82/1424546782.db2.gz LCXNCAXFNKNZPU-JOCHJYFZSA-N 2 0 387.568 3.030 20 0 GGADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000160499656 1424608269 /nfs/dbraw/zinc/60/82/69/1424608269.db2.gz QGPSAAXBFOGXEB-VAMGGRTRSA-N 2 0 396.620 3.170 20 0 GGADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000160506769 1424609331 /nfs/dbraw/zinc/60/93/31/1424609331.db2.gz UOCNSLZNMRXETB-AABGKKOBSA-N 2 0 396.620 3.170 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCOCC2)cc1Cl ZINC000160683625 1424626415 /nfs/dbraw/zinc/62/64/15/1424626415.db2.gz SSYCNOKMBRZQQB-PKOBYXMFSA-N 2 0 395.975 3.064 20 0 GGADRP CC[NH+](CC)C1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161177728 1424664574 /nfs/dbraw/zinc/66/45/74/1424664574.db2.gz QABBIPYBIHWVLE-SFHVURJKSA-N 2 0 387.572 3.123 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000161597086 1424720559 /nfs/dbraw/zinc/72/05/59/1424720559.db2.gz IDQGXVODNRJPFU-NRFANRHFSA-N 2 0 387.568 3.326 20 0 GGADRP CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000161705920 1424746338 /nfs/dbraw/zinc/74/63/38/1424746338.db2.gz RMVJIQACMWYESF-UHFFFAOYSA-N 2 0 393.616 3.096 20 0 GGADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000161733229 1424754464 /nfs/dbraw/zinc/75/44/64/1424754464.db2.gz YEOQYEKYOCEASD-CVDCTZTESA-N 2 0 395.547 3.485 20 0 GGADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000161900214 1424792162 /nfs/dbraw/zinc/79/21/62/1424792162.db2.gz PQBFUTCLMRQOMW-UHFFFAOYSA-N 2 0 397.416 3.426 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162203221 1424826271 /nfs/dbraw/zinc/82/62/71/1424826271.db2.gz NPSKYHXTPIEJGC-LJQANCHMSA-N 2 0 382.552 3.337 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](CCO)c2ccccc2)CC1 ZINC000180142359 1429756393 /nfs/dbraw/zinc/75/63/93/1429756393.db2.gz SCSHREYRCOZECW-LJQANCHMSA-N 2 0 387.955 3.348 20 0 GGADRP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000162230651 1424829311 /nfs/dbraw/zinc/82/93/11/1424829311.db2.gz XQAQLMVXOIUMEG-LJQANCHMSA-N 2 0 382.552 3.337 20 0 GGADRP COc1ccc(C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000162512555 1424860789 /nfs/dbraw/zinc/86/07/89/1424860789.db2.gz CGWFCLPTQFEDPI-XMMPIXPASA-N 2 0 397.563 3.215 20 0 GGADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162531354 1424862885 /nfs/dbraw/zinc/86/28/85/1424862885.db2.gz HUYJLZKHFCPYAJ-OAHLLOKOSA-N 2 0 390.915 3.182 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000162543247 1424864431 /nfs/dbraw/zinc/86/44/31/1424864431.db2.gz LBERKZJJZHDQAV-QGZVFWFLSA-N 2 0 383.492 3.434 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162565683 1424866431 /nfs/dbraw/zinc/86/64/31/1424866431.db2.gz VITXQIGLKXWPOY-HNNXBMFYSA-N 2 0 394.512 3.020 20 0 GGADRP C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000163063302 1424933845 /nfs/dbraw/zinc/93/38/45/1424933845.db2.gz SYNIBFORENZTEE-QFBILLFUSA-N 2 0 381.586 3.146 20 0 GGADRP C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000163063527 1424934527 /nfs/dbraw/zinc/93/45/27/1424934527.db2.gz SYNIBFORENZTEE-LPHOPBHVSA-N 2 0 381.586 3.146 20 0 GGADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000163501724 1425008202 /nfs/dbraw/zinc/00/82/02/1425008202.db2.gz GNXNUHQGJMSNHM-LJQANCHMSA-N 2 0 391.531 3.256 20 0 GGADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163506232 1425008890 /nfs/dbraw/zinc/00/88/90/1425008890.db2.gz LZMWQIUVQKTOAD-GOSISDBHSA-N 2 0 389.584 3.233 20 0 GGADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163502407 1425009472 /nfs/dbraw/zinc/00/94/72/1425009472.db2.gz VHBOFXUWWHRXKR-FQEVSTJZSA-N 2 0 387.568 3.425 20 0 GGADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163515674 1425011042 /nfs/dbraw/zinc/01/10/42/1425011042.db2.gz JOPFGYOAFDQJBN-QGZVFWFLSA-N 2 0 375.557 3.281 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000163517053 1425011179 /nfs/dbraw/zinc/01/11/79/1425011179.db2.gz MTKJYDWYXAFTJZ-ZDUSSCGKSA-N 2 0 385.474 3.381 20 0 GGADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000163529861 1425012983 /nfs/dbraw/zinc/01/29/83/1425012983.db2.gz ATXNNYBALBFQEW-SFHVURJKSA-N 2 0 397.567 3.150 20 0 GGADRP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCC2 ZINC000163533590 1425014053 /nfs/dbraw/zinc/01/40/53/1425014053.db2.gz QBBLTXZIKMPDED-MRXNPFEDSA-N 2 0 378.586 3.045 20 0 GGADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC ZINC000163541426 1425014728 /nfs/dbraw/zinc/01/47/28/1425014728.db2.gz JSFLRBSCHYJBJR-IBGZPJMESA-N 2 0 375.557 3.363 20 0 GGADRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163545447 1425014935 /nfs/dbraw/zinc/01/49/35/1425014935.db2.gz UUEWLGQJUQJZIY-KRWDZBQOSA-N 2 0 375.557 3.363 20 0 GGADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163550944 1425016477 /nfs/dbraw/zinc/01/64/77/1425016477.db2.gz HZFIYRLFGOGEMW-BTYIYWSLSA-N 2 0 375.532 3.275 20 0 GGADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000163585234 1425020678 /nfs/dbraw/zinc/02/06/78/1425020678.db2.gz HNJBFVBVQUBVND-KRWDZBQOSA-N 2 0 381.586 3.467 20 0 GGADRP COc1cccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)c1 ZINC000163639768 1425028054 /nfs/dbraw/zinc/02/80/54/1425028054.db2.gz NEHMLUJTSMFZET-FGZHOGPDSA-N 2 0 381.520 3.429 20 0 GGADRP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671283 1425031759 /nfs/dbraw/zinc/03/17/59/1425031759.db2.gz DFRWSBCLDBRZQZ-GBXCKJPGSA-N 2 0 397.563 3.351 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163685438 1425033940 /nfs/dbraw/zinc/03/39/40/1425033940.db2.gz GODBUPQAMZXAOV-HXUWFJFHSA-N 2 0 397.563 3.310 20 0 GGADRP CCC[NH+]1CCC(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CC1 ZINC000163933245 1425059559 /nfs/dbraw/zinc/05/95/59/1425059559.db2.gz ONBXHCNLLSPANY-UHFFFAOYSA-N 2 0 389.584 3.140 20 0 GGADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934566 1425059619 /nfs/dbraw/zinc/05/96/19/1425059619.db2.gz ORFJMWZVVXQRSC-JOCHJYFZSA-N 2 0 386.540 3.151 20 0 GGADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C)n1 ZINC000163954728 1425061185 /nfs/dbraw/zinc/06/11/85/1425061185.db2.gz HWCPRFYQFXOQCF-QGZVFWFLSA-N 2 0 398.551 3.434 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000163957256 1425062109 /nfs/dbraw/zinc/06/21/09/1425062109.db2.gz XZXMNKVCDZTIAM-GCJKJVERSA-N 2 0 380.536 3.068 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1cccc(OC)c1 ZINC000163969113 1425063789 /nfs/dbraw/zinc/06/37/89/1425063789.db2.gz PQAOGNLHERSWML-FGZHOGPDSA-N 2 0 381.520 3.081 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1cccc(OC)c1 ZINC000163969021 1425063936 /nfs/dbraw/zinc/06/39/36/1425063936.db2.gz PQAOGNLHERSWML-FCHUYYIVSA-N 2 0 381.520 3.081 20 0 GGADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163974945 1425064435 /nfs/dbraw/zinc/06/44/35/1425064435.db2.gz DIVHNYAYQGYVFC-QFIPXVFZSA-N 2 0 398.551 3.077 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CCOCC1 ZINC000163975904 1425064526 /nfs/dbraw/zinc/06/45/26/1425064526.db2.gz FCRPTHDUSAYJEA-GOSISDBHSA-N 2 0 376.541 3.081 20 0 GGADRP C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000164056585 1425072195 /nfs/dbraw/zinc/07/21/95/1425072195.db2.gz COVPQCRYOLHDSA-MAUKXSAKSA-N 2 0 381.561 3.211 20 0 GGADRP C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000164056481 1425072498 /nfs/dbraw/zinc/07/24/98/1425072498.db2.gz COVPQCRYOLHDSA-CRAIPNDOSA-N 2 0 381.561 3.211 20 0 GGADRP C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000164056264 1425072629 /nfs/dbraw/zinc/07/26/29/1425072629.db2.gz COVPQCRYOLHDSA-QAPCUYQASA-N 2 0 381.561 3.211 20 0 GGADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000164438985 1425112126 /nfs/dbraw/zinc/11/21/26/1425112126.db2.gz DEOVUMPNPKLKIT-MRXNPFEDSA-N 2 0 377.529 3.275 20 0 GGADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164500031 1425117787 /nfs/dbraw/zinc/11/77/87/1425117787.db2.gz WHIGNOHYZPGKDU-WMZOPIPTSA-N 2 0 377.529 3.287 20 0 GGADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164499916 1425117967 /nfs/dbraw/zinc/11/79/67/1425117967.db2.gz WHIGNOHYZPGKDU-SJLPKXTDSA-N 2 0 377.529 3.287 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164500138 1425118001 /nfs/dbraw/zinc/11/80/01/1425118001.db2.gz WHIGNOHYZPGKDU-AEFFLSMTSA-N 2 0 377.529 3.287 20 0 GGADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587371 1425186419 /nfs/dbraw/zinc/18/64/19/1425186419.db2.gz FYHOVVDUMSIGBQ-JTDSTZFVSA-N 2 0 398.517 3.276 20 0 GGADRP CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000165596498 1425187574 /nfs/dbraw/zinc/18/75/74/1425187574.db2.gz AXRBGCHZFZXLON-CRAIPNDOSA-N 2 0 385.474 3.362 20 0 GGADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000165600323 1425187593 /nfs/dbraw/zinc/18/75/93/1425187593.db2.gz LJTDPJVNXJYMOG-INIZCTEOSA-N 3 0 398.517 3.277 20 0 GGADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CN1C1CC1 ZINC000165597238 1425187698 /nfs/dbraw/zinc/18/76/98/1425187698.db2.gz SHEVDVRMPAJPNZ-CRAIPNDOSA-N 2 0 396.501 3.172 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000166007486 1425205008 /nfs/dbraw/zinc/20/50/08/1425205008.db2.gz TXJSUFSQABOLCU-KDOFPFPSSA-N 2 0 379.936 3.237 20 0 GGADRP Clc1ccccc1N1CCN(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166317636 1425210977 /nfs/dbraw/zinc/21/09/77/1425210977.db2.gz NYFLIZYQNZQXTQ-RTBURBONSA-N 2 0 376.976 3.069 20 0 GGADRP Clc1cccc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166535881 1425214149 /nfs/dbraw/zinc/21/41/49/1425214149.db2.gz FUHUPEWWFPNSMZ-TZIWHRDSSA-N 2 0 376.976 3.069 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2F)CC1 ZINC000167431123 1425226015 /nfs/dbraw/zinc/22/60/15/1425226015.db2.gz CSTOGQLHLVFSPP-XPGWFJOJSA-N 2 0 388.531 3.215 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000167544318 1425227086 /nfs/dbraw/zinc/22/70/86/1425227086.db2.gz BYJBROYEWCWUPE-NFBKMPQASA-N 2 0 391.559 3.477 20 0 GGADRP CN(C(=O)c1cccn1C1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000167670057 1425229555 /nfs/dbraw/zinc/22/95/55/1425229555.db2.gz ZBPNQKOWFHHYGB-UHFFFAOYSA-N 2 0 380.536 3.149 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000167844125 1425232606 /nfs/dbraw/zinc/23/26/06/1425232606.db2.gz ZJUVCAAGSBTJRK-QFIPXVFZSA-N 2 0 397.950 3.383 20 0 GGADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000168543908 1425238100 /nfs/dbraw/zinc/23/81/00/1425238100.db2.gz HMWGUKXBADSIOH-UHFFFAOYSA-N 2 0 380.492 3.212 20 0 GGADRP C[NH+](C)CCCOc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000168770907 1425239505 /nfs/dbraw/zinc/23/95/05/1425239505.db2.gz OFBJSDIEDVSQEC-UHFFFAOYSA-N 2 0 381.520 3.277 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891881 1425240355 /nfs/dbraw/zinc/24/03/55/1425240355.db2.gz BVOVRUGTCLMANM-OAQYLSRUSA-N 2 0 381.564 3.394 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891787 1425240917 /nfs/dbraw/zinc/24/09/17/1425240917.db2.gz BVOVRUGTCLMANM-NRFANRHFSA-N 2 0 381.564 3.394 20 0 GGADRP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000168953719 1425241106 /nfs/dbraw/zinc/24/11/06/1425241106.db2.gz NGAUQFHOXTYNCW-DNVCBOLYSA-N 2 0 397.485 3.422 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897711 1425241647 /nfs/dbraw/zinc/24/16/47/1425241647.db2.gz IVZNSHYGQYZOCB-LJQANCHMSA-N 2 0 387.593 3.456 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)CC1 ZINC000169206738 1425243368 /nfs/dbraw/zinc/24/33/68/1425243368.db2.gz ZPLHZBKEMWRISM-QHCPKHFHSA-N 2 0 392.547 3.118 20 0 GGADRP c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170739872 1425323950 /nfs/dbraw/zinc/32/39/50/1425323950.db2.gz LDQPEVQVAWSPRE-PSWAGMNNSA-N 2 0 382.596 3.027 20 0 GGADRP c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170739870 1425323964 /nfs/dbraw/zinc/32/39/64/1425323964.db2.gz LDQPEVQVAWSPRE-ZEQRLZLVSA-N 2 0 382.596 3.027 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756288 1425328414 /nfs/dbraw/zinc/32/84/14/1425328414.db2.gz BRPGWDWQFWKDAC-OALUTQOASA-N 2 0 390.597 3.401 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756289 1425329073 /nfs/dbraw/zinc/32/90/73/1425329073.db2.gz BRPGWDWQFWKDAC-RBUKOAKNSA-N 2 0 390.597 3.401 20 0 GGADRP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000170894344 1425383126 /nfs/dbraw/zinc/38/31/26/1425383126.db2.gz HHBPLARWPCZNOS-FQEVSTJZSA-N 2 0 387.572 3.346 20 0 GGADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000170900178 1425386205 /nfs/dbraw/zinc/38/62/05/1425386205.db2.gz GASISSMQYHRBRD-IBGZPJMESA-N 2 0 378.605 3.403 20 0 GGADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000170903123 1425386963 /nfs/dbraw/zinc/38/69/63/1425386963.db2.gz DRGRJXUNCVUQHZ-JOCHJYFZSA-N 2 0 380.536 3.245 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000171064548 1425463508 /nfs/dbraw/zinc/46/35/08/1425463508.db2.gz GAUANLZBHBNODI-IBGZPJMESA-N 2 0 376.545 3.241 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171129763 1425496651 /nfs/dbraw/zinc/49/66/51/1425496651.db2.gz MTJYOZIQVTYKQH-QGZVFWFLSA-N 2 0 387.549 3.139 20 0 GGADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000171153341 1425511947 /nfs/dbraw/zinc/51/19/47/1425511947.db2.gz BLWXULCOQPVEEC-UHFFFAOYSA-N 2 0 394.563 3.338 20 0 GGADRP C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)C[C@@H](C)O1 ZINC000171247598 1425566033 /nfs/dbraw/zinc/56/60/33/1425566033.db2.gz XXSHLJNYOUXPCX-QZTJIDSGSA-N 2 0 388.556 3.101 20 0 GGADRP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cnc21 ZINC000171303928 1425605714 /nfs/dbraw/zinc/60/57/14/1425605714.db2.gz BBMFBOAEBZUQJF-QZTJIDSGSA-N 2 0 385.556 3.333 20 0 GGADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171305541 1425605790 /nfs/dbraw/zinc/60/57/90/1425605790.db2.gz UTMGXPQMCLCOIX-HXUWFJFHSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000171313694 1425612797 /nfs/dbraw/zinc/61/27/97/1425612797.db2.gz XQQAIYNAZFOSEQ-FQEVSTJZSA-N 2 0 386.584 3.272 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1)c1ccccc1 ZINC000171478612 1425699595 /nfs/dbraw/zinc/69/95/95/1425699595.db2.gz VWRREGRRBLYUIW-QFIPXVFZSA-N 2 0 380.536 3.460 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000171564821 1425738622 /nfs/dbraw/zinc/73/86/22/1425738622.db2.gz IFEJTKUODVUTPN-HXUWFJFHSA-N 2 0 386.584 3.113 20 0 GGADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000171612070 1425758595 /nfs/dbraw/zinc/75/85/95/1425758595.db2.gz YSBPIKPGNFZLGF-JOCHJYFZSA-N 2 0 386.584 3.113 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171662294 1425780470 /nfs/dbraw/zinc/78/04/70/1425780470.db2.gz PBPIEVITECNTRL-JOCHJYFZSA-N 2 0 384.568 3.168 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000172190082 1425938941 /nfs/dbraw/zinc/93/89/41/1425938941.db2.gz UTUHMEYGHJQUDQ-KNQAVFIVSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000172190065 1425939194 /nfs/dbraw/zinc/93/91/94/1425939194.db2.gz UTUHMEYGHJQUDQ-SIKLNZKXSA-N 2 0 384.568 3.482 20 0 GGADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000172190071 1425939310 /nfs/dbraw/zinc/93/93/10/1425939310.db2.gz UTUHMEYGHJQUDQ-DENIHFKCSA-N 2 0 384.568 3.482 20 0 GGADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417688 1426034809 /nfs/dbraw/zinc/03/48/09/1426034809.db2.gz WXUBYHTWDAUKKS-UHFFFAOYSA-N 2 0 398.595 3.066 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000172496746 1426059606 /nfs/dbraw/zinc/05/96/06/1426059606.db2.gz IDBAYOKKZOPOOO-JOCHJYFZSA-N 2 0 398.595 3.308 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000172517813 1426068168 /nfs/dbraw/zinc/06/81/68/1426068168.db2.gz MUFZQUHCYOUWOA-HXUWFJFHSA-N 2 0 376.520 3.088 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172537247 1426077433 /nfs/dbraw/zinc/07/74/33/1426077433.db2.gz JNGAQTPXZIQHGV-QHCPKHFHSA-N 2 0 398.595 3.353 20 0 GGADRP C[NH+](C)Cc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000172616433 1426115321 /nfs/dbraw/zinc/11/53/21/1426115321.db2.gz ZFOOVQUPUMBDMW-UHFFFAOYSA-N 2 0 394.563 3.080 20 0 GGADRP COc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000172632002 1426119638 /nfs/dbraw/zinc/11/96/38/1426119638.db2.gz NNAJKMZWPZAFFU-NRFANRHFSA-N 2 0 388.556 3.007 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000172717847 1426157977 /nfs/dbraw/zinc/15/79/77/1426157977.db2.gz ODZDWJIGBGTJTA-UHFFFAOYSA-N 2 0 375.463 3.230 20 0 GGADRP CCc1nc2cc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@H+]3CC)ccc2o1 ZINC000173238575 1426423594 /nfs/dbraw/zinc/42/35/94/1426423594.db2.gz LHCCFKONRGGWTM-QGZVFWFLSA-N 2 0 387.528 3.270 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000173247801 1426428415 /nfs/dbraw/zinc/42/84/15/1426428415.db2.gz KAWFHBNQZQASNK-RDJZCZTQSA-N 2 0 382.499 3.083 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000173247783 1426428480 /nfs/dbraw/zinc/42/84/80/1426428480.db2.gz KAWFHBNQZQASNK-DOTOQJQBSA-N 2 0 382.499 3.083 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000173251712 1426431984 /nfs/dbraw/zinc/43/19/84/1426431984.db2.gz QKVOKFWEVMTRNI-DOTOQJQBSA-N 2 0 382.499 3.083 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000173251727 1426432037 /nfs/dbraw/zinc/43/20/37/1426432037.db2.gz QKVOKFWEVMTRNI-RDJZCZTQSA-N 2 0 382.499 3.083 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000173284198 1426462046 /nfs/dbraw/zinc/46/20/46/1426462046.db2.gz ZBQCRVHYSBHBKZ-UHFFFAOYSA-N 2 0 396.535 3.027 20 0 GGADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000173292017 1426471030 /nfs/dbraw/zinc/47/10/30/1426471030.db2.gz LAKHARDXDHGYTO-UHFFFAOYSA-N 2 0 396.535 3.151 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173324960 1426506521 /nfs/dbraw/zinc/50/65/21/1426506521.db2.gz HTKIWSCKUMGWLX-ROUUACIJSA-N 2 0 381.586 3.242 20 0 GGADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325537 1426507037 /nfs/dbraw/zinc/50/70/37/1426507037.db2.gz ZXDCQZKFANBZLG-SFHVURJKSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173325103 1426507387 /nfs/dbraw/zinc/50/73/87/1426507387.db2.gz IBSBIEDMYHNRCT-MSOLQXFVSA-N 2 0 381.586 3.100 20 0 GGADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000173335291 1426515914 /nfs/dbraw/zinc/51/59/14/1426515914.db2.gz QGLKAVQHKPHRCU-SFHVURJKSA-N 2 0 383.536 3.302 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000173402380 1426586140 /nfs/dbraw/zinc/58/61/40/1426586140.db2.gz FLJQJWAVCJWNCY-QYZOEREBSA-N 2 0 390.597 3.399 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000173415910 1426598614 /nfs/dbraw/zinc/59/86/14/1426598614.db2.gz APEALCAWCLEXEH-MSOLQXFVSA-N 2 0 378.586 3.258 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000173416753 1426599984 /nfs/dbraw/zinc/59/99/84/1426599984.db2.gz JLMMMDIDAMSHSJ-ROUUACIJSA-N 2 0 378.586 3.401 20 0 GGADRP C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173605267 1426778754 /nfs/dbraw/zinc/77/87/54/1426778754.db2.gz LIUXMIMPQUAWFP-DNQXCXABSA-N 4 0 390.660 3.382 20 0 GGADRP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643326 1426807902 /nfs/dbraw/zinc/80/79/02/1426807902.db2.gz BLWQDOYZYAEDTB-SJORKVTESA-N 2 0 388.581 3.449 20 0 GGADRP O=C1[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786352 1426850970 /nfs/dbraw/zinc/85/09/70/1426850970.db2.gz NPLJJBZAFWEAKG-VQIMIIECSA-N 2 0 393.478 3.201 20 0 GGADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173912974 1426889963 /nfs/dbraw/zinc/88/99/63/1426889963.db2.gz SSUFHFFIUKSDSD-SFHVURJKSA-N 2 0 398.555 3.141 20 0 GGADRP Cc1cccc(N2CC[NH+](CCC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000173919044 1426892125 /nfs/dbraw/zinc/89/21/25/1426892125.db2.gz UGJCFCWNNXTKBO-UHFFFAOYSA-N 2 0 380.536 3.207 20 0 GGADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948858 1426904921 /nfs/dbraw/zinc/90/49/21/1426904921.db2.gz QTKDWMKNVFPITB-QFIPXVFZSA-N 2 0 387.568 3.173 20 0 GGADRP CN(C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1CCCc2ccccc21 ZINC000173952949 1426907224 /nfs/dbraw/zinc/90/72/24/1426907224.db2.gz GIOSFQMVQJWRDC-QHCPKHFHSA-N 2 0 399.579 3.099 20 0 GGADRP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c2ccccc2)CC1 ZINC000173953220 1426907251 /nfs/dbraw/zinc/90/72/51/1426907251.db2.gz MHENEJOWKNBVNU-FQEVSTJZSA-N 2 0 398.555 3.039 20 0 GGADRP C[NH+](C)CCn1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000173953549 1426907484 /nfs/dbraw/zinc/90/74/84/1426907484.db2.gz MKOIUNWZJTYYOD-UHFFFAOYSA-N 2 0 398.555 3.142 20 0 GGADRP CCN(C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000173957851 1426909031 /nfs/dbraw/zinc/90/90/31/1426909031.db2.gz VMKRQUJIARCSPW-IBGZPJMESA-N 2 0 379.589 3.133 20 0 GGADRP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000173956747 1426909079 /nfs/dbraw/zinc/90/90/79/1426909079.db2.gz QTMPBMPGBHKLAF-JOCHJYFZSA-N 2 0 385.552 3.067 20 0 GGADRP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962613 1426912036 /nfs/dbraw/zinc/91/20/36/1426912036.db2.gz CRXBYNDPVATCCG-WOJBJXKFSA-N 2 0 387.568 3.138 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000173986032 1426928071 /nfs/dbraw/zinc/92/80/71/1426928071.db2.gz KXOLDHZRQMRGHD-UHFFFAOYSA-N 2 0 396.535 3.072 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174017784 1426945865 /nfs/dbraw/zinc/94/58/65/1426945865.db2.gz FPCLDPUAZNTOII-HSZRJFAPSA-N 2 0 392.547 3.217 20 0 GGADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc21 ZINC000174062171 1426980658 /nfs/dbraw/zinc/98/06/58/1426980658.db2.gz JQCSOYAIWIGCPI-UHFFFAOYSA-N 2 0 398.551 3.177 20 0 GGADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174118268 1427009613 /nfs/dbraw/zinc/00/96/13/1427009613.db2.gz FBIITPZYICRUPZ-QZTJIDSGSA-N 2 0 376.570 3.012 20 0 GGADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000174119202 1427009769 /nfs/dbraw/zinc/00/97/69/1427009769.db2.gz PYEOEXYQJXCAOF-NRFANRHFSA-N 2 0 390.547 3.306 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2cccs2)CC1 ZINC000174152683 1427023359 /nfs/dbraw/zinc/02/33/59/1427023359.db2.gz PTHLFGAQPOHNLS-UHFFFAOYSA-N 2 0 385.577 3.312 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174157559 1427024676 /nfs/dbraw/zinc/02/46/76/1427024676.db2.gz QKGOZJJJFDKKKT-VXKWHMMOSA-N 2 0 386.584 3.067 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174205363 1427049601 /nfs/dbraw/zinc/04/96/01/1427049601.db2.gz ABTGZNQXCJUTBG-JOCHJYFZSA-N 2 0 384.568 3.026 20 0 GGADRP CC(C)[NH+](CCCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000174350436 1427115302 /nfs/dbraw/zinc/11/53/02/1427115302.db2.gz CMXJMRBZPYTNSD-BGYRXZFFSA-N 2 0 396.620 3.026 20 0 GGADRP C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403580 1427141998 /nfs/dbraw/zinc/14/19/98/1427141998.db2.gz QZJURPLUMUGOTI-IRLDBZIGSA-N 2 0 386.511 3.157 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174455371 1427164057 /nfs/dbraw/zinc/16/40/57/1427164057.db2.gz SYIAUBJSGROVKA-LJQANCHMSA-N 2 0 392.613 3.333 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000174607484 1427258415 /nfs/dbraw/zinc/25/84/15/1427258415.db2.gz SSBCSIHUHVBELR-HXUWFJFHSA-N 2 0 387.572 3.085 20 0 GGADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000174635717 1427279179 /nfs/dbraw/zinc/27/91/79/1427279179.db2.gz WNRBLLFUMOENHE-HXUWFJFHSA-N 2 0 399.583 3.215 20 0 GGADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000174792179 1427370146 /nfs/dbraw/zinc/37/01/46/1427370146.db2.gz PURONWFOMLCKRM-FQEVSTJZSA-N 2 0 384.568 3.167 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000174792170 1427370288 /nfs/dbraw/zinc/37/02/88/1427370288.db2.gz PURONWFOMLCKRM-HXUWFJFHSA-N 2 0 384.568 3.167 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000174862490 1427414777 /nfs/dbraw/zinc/41/47/77/1427414777.db2.gz STZCOZPLEAUHOK-LJQANCHMSA-N 2 0 396.645 3.111 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000174938436 1427455137 /nfs/dbraw/zinc/45/51/37/1427455137.db2.gz DBYGIQPPFAXTPJ-FQEVSTJZSA-N 2 0 379.589 3.085 20 0 GGADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000174938455 1427455216 /nfs/dbraw/zinc/45/52/16/1427455216.db2.gz DBYGIQPPFAXTPJ-HXUWFJFHSA-N 2 0 379.589 3.085 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000175011280 1427495992 /nfs/dbraw/zinc/49/59/92/1427495992.db2.gz OXUISJNFOVMLCH-QHCPKHFHSA-N 2 0 394.563 3.412 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175233316 1427615686 /nfs/dbraw/zinc/61/56/86/1427615686.db2.gz CRUWQGRKFBBUSK-NRFANRHFSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175237016 1427618857 /nfs/dbraw/zinc/61/88/57/1427618857.db2.gz MKQNTSVVLDMHNQ-LJQANCHMSA-N 2 0 384.568 3.167 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000175351807 1427698885 /nfs/dbraw/zinc/69/88/85/1427698885.db2.gz YURHHTQBZPFUPK-NRFANRHFSA-N 2 0 386.584 3.270 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000175401176 1427733410 /nfs/dbraw/zinc/73/34/10/1427733410.db2.gz RWCRSFKYVQXNHZ-UHFFFAOYSA-N 2 0 376.545 3.274 20 0 GGADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175418414 1427744302 /nfs/dbraw/zinc/74/43/02/1427744302.db2.gz MJBJQHXUSFQLCI-AVRDEDQJSA-N 2 0 384.568 3.213 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000175477270 1427776562 /nfs/dbraw/zinc/77/65/62/1427776562.db2.gz MSVQDOODICELCK-JOCHJYFZSA-N 2 0 386.584 3.272 20 0 GGADRP C[NH+](C)CCOc1cccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000175512700 1427799019 /nfs/dbraw/zinc/79/90/19/1427799019.db2.gz GWWBGYSRJHJUNO-UHFFFAOYSA-N 2 0 395.503 3.365 20 0 GGADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175607531 1427830075 /nfs/dbraw/zinc/83/00/75/1427830075.db2.gz HSBLHPUNCMDSTF-UHFFFAOYSA-N 2 0 384.568 3.141 20 0 GGADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175692691 1427860342 /nfs/dbraw/zinc/86/03/42/1427860342.db2.gz FBFSUOKMVAGXSP-UHFFFAOYSA-N 2 0 376.589 3.347 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175755626 1427880130 /nfs/dbraw/zinc/88/01/30/1427880130.db2.gz NFMNTMNUSFQNRK-FQEVSTJZSA-N 2 0 386.584 3.413 20 0 GGADRP CCC[N@H+](CC)CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175791789 1427894257 /nfs/dbraw/zinc/89/42/57/1427894257.db2.gz VPKWCVPPHLFESO-UHFFFAOYSA-N 2 0 378.586 3.131 20 0 GGADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000175816043 1427907060 /nfs/dbraw/zinc/90/70/60/1427907060.db2.gz PYPHHLDCFJGSHQ-QHCPKHFHSA-N 2 0 394.563 3.282 20 0 GGADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175971663 1428006048 /nfs/dbraw/zinc/00/60/48/1428006048.db2.gz VFVZZULCFAQKLI-VQTJNVASSA-N 2 0 386.584 3.413 20 0 GGADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176009262 1428025315 /nfs/dbraw/zinc/02/53/15/1428025315.db2.gz XMIBEZNVCZRDRA-UHFFFAOYSA-N 2 0 388.556 3.292 20 0 GGADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176043055 1428045106 /nfs/dbraw/zinc/04/51/06/1428045106.db2.gz WWSHNKYOQSSWNL-ROUUACIJSA-N 2 0 378.586 3.132 20 0 GGADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176043037 1428045449 /nfs/dbraw/zinc/04/54/49/1428045449.db2.gz WWSHNKYOQSSWNL-ZWKOTPCHSA-N 2 0 378.586 3.132 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000176102612 1428084420 /nfs/dbraw/zinc/08/44/20/1428084420.db2.gz WWHABTANAPAOSQ-GOSISDBHSA-N 2 0 378.586 3.086 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000176129072 1428101697 /nfs/dbraw/zinc/10/16/97/1428101697.db2.gz UZJMZEBCIXYLID-ZWKOTPCHSA-N 2 0 378.586 3.086 20 0 GGADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176129297 1428102448 /nfs/dbraw/zinc/10/24/48/1428102448.db2.gz YRJXBVLBYSFEGX-UHFFFAOYSA-N 2 0 398.551 3.265 20 0 GGADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC000180174638 1429780789 /nfs/dbraw/zinc/78/07/89/1429780789.db2.gz GIRDANKQDHKVFH-OAQYLSRUSA-N 2 0 391.918 3.228 20 0 GGADRP COC(=O)COc1c(C)cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000180274995 1429821188 /nfs/dbraw/zinc/82/11/88/1429821188.db2.gz WPRQIVYYLDFSPD-UHFFFAOYSA-N 2 0 397.519 3.256 20 0 GGADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180289508 1429825922 /nfs/dbraw/zinc/82/59/22/1429825922.db2.gz KXXQGCXEIJDGJL-LJQANCHMSA-N 2 0 387.572 3.061 20 0 GGADRP C[N@H+](CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000180291392 1429826560 /nfs/dbraw/zinc/82/65/60/1429826560.db2.gz FHPHHSRJMOBISO-UHFFFAOYSA-N 2 0 395.551 3.119 20 0 GGADRP C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180301033 1429829930 /nfs/dbraw/zinc/82/99/30/1429829930.db2.gz PBOFXCAOTYIFIU-RYRKJORJSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180301016 1429830061 /nfs/dbraw/zinc/83/00/61/1429830061.db2.gz PBOFXCAOTYIFIU-BQFCYCMXSA-N 2 0 378.586 3.303 20 0 GGADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180308480 1429832269 /nfs/dbraw/zinc/83/22/69/1429832269.db2.gz ZJMDPBYOQMQMKE-IBGZPJMESA-N 2 0 387.572 3.109 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180308464 1429832274 /nfs/dbraw/zinc/83/22/74/1429832274.db2.gz ZJMDPBYOQMQMKE-LJQANCHMSA-N 2 0 387.572 3.109 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@H](C)O1 ZINC000180312368 1429833633 /nfs/dbraw/zinc/83/36/33/1429833633.db2.gz ONSWQLHDMRDKHH-AKHDSKFASA-N 2 0 383.577 3.111 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000180330938 1429837495 /nfs/dbraw/zinc/83/74/95/1429837495.db2.gz MGKBRXIEOYNRCV-JOCHJYFZSA-N 2 0 395.551 3.209 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000180330959 1429837629 /nfs/dbraw/zinc/83/76/29/1429837629.db2.gz MGKBRXIEOYNRCV-QFIPXVFZSA-N 2 0 395.551 3.209 20 0 GGADRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000180340271 1429839945 /nfs/dbraw/zinc/83/99/45/1429839945.db2.gz HGFYGKUORCKLLN-JOCHJYFZSA-N 2 0 384.568 3.309 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000180342245 1429840341 /nfs/dbraw/zinc/84/03/41/1429840341.db2.gz MZOZURDUZYGIGX-NRFANRHFSA-N 2 0 387.572 3.108 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000180342263 1429840385 /nfs/dbraw/zinc/84/03/85/1429840385.db2.gz MZOZURDUZYGIGX-OAQYLSRUSA-N 2 0 387.572 3.108 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180356781 1429845011 /nfs/dbraw/zinc/84/50/11/1429845011.db2.gz HOOUHCMJQNPHBC-OAQYLSRUSA-N 2 0 387.572 3.204 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180356799 1429845092 /nfs/dbraw/zinc/84/50/92/1429845092.db2.gz HOOUHCMJQNPHBC-NRFANRHFSA-N 2 0 387.572 3.204 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000180397241 1429856703 /nfs/dbraw/zinc/85/67/03/1429856703.db2.gz VITXFERQTVDMRS-UHFFFAOYSA-N 2 0 387.572 3.061 20 0 GGADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000180424551 1429865829 /nfs/dbraw/zinc/86/58/29/1429865829.db2.gz MKHQYQNQZKLLLO-CTNGQTDRSA-N 2 0 387.572 3.202 20 0 GGADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180690076 1429978666 /nfs/dbraw/zinc/97/86/66/1429978666.db2.gz WUSHXQONOPZNJD-UHFFFAOYSA-N 2 0 378.586 3.082 20 0 GGADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000180708403 1429990860 /nfs/dbraw/zinc/99/08/60/1429990860.db2.gz NFSYDHHQQQYBLI-JOCHJYFZSA-N 2 0 396.535 3.027 20 0 GGADRP O=C(NCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C(F)(F)F ZINC000180723143 1430000741 /nfs/dbraw/zinc/00/07/41/1430000741.db2.gz YSSZNDGMILAXEO-MSOLQXFVSA-N 2 0 383.458 3.042 20 0 GGADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180771119 1430030324 /nfs/dbraw/zinc/03/03/24/1430030324.db2.gz UKXSRCSLBFUXEA-UZLBHIALSA-N 2 0 385.483 3.222 20 0 GGADRP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)no1 ZINC000180785556 1430038470 /nfs/dbraw/zinc/03/84/70/1430038470.db2.gz DSWFKCMDFNSBFD-NQIIRXRSSA-N 2 0 382.508 3.406 20 0 GGADRP Fc1ccc(-n2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cn2)cc1 ZINC000180796678 1430045579 /nfs/dbraw/zinc/04/55/79/1430045579.db2.gz BNZAFBDRABJPOD-UHFFFAOYSA-N 2 0 386.515 3.336 20 0 GGADRP COCCOc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180797378 1430046094 /nfs/dbraw/zinc/04/60/94/1430046094.db2.gz SIWUOBVXXVBOEA-UHFFFAOYSA-N 2 0 376.541 3.036 20 0 GGADRP COc1cc(OC)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(OC)c1 ZINC000180797776 1430046866 /nfs/dbraw/zinc/04/68/66/1430046866.db2.gz GEGUKOCYKDHPDN-UHFFFAOYSA-N 2 0 392.540 3.037 20 0 GGADRP CN(c1ccccc1C[NH2+]C[C@@H]1COC2(CCCCC2)O1)C1CC[NH+](C)CC1 ZINC000180932837 1430122169 /nfs/dbraw/zinc/12/21/69/1430122169.db2.gz WVOAKKGBXGJBSO-OAQYLSRUSA-N 2 0 387.568 3.382 20 0 GGADRP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180974466 1430145381 /nfs/dbraw/zinc/14/53/81/1430145381.db2.gz KIUOJUHGFCGITO-GOSISDBHSA-N 2 0 381.520 3.372 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000180974826 1430146413 /nfs/dbraw/zinc/14/64/13/1430146413.db2.gz IZRZBHZLALFACR-IBGZPJMESA-N 2 0 394.563 3.429 20 0 GGADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976346 1430147781 /nfs/dbraw/zinc/14/77/81/1430147781.db2.gz WGIDEGIIQORJGV-LJQANCHMSA-N 2 0 395.547 3.242 20 0 GGADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC000180977638 1430148311 /nfs/dbraw/zinc/14/83/11/1430148311.db2.gz HHJRFBUSAKALOH-GOSISDBHSA-N 2 0 383.540 3.140 20 0 GGADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180984529 1430152612 /nfs/dbraw/zinc/15/26/12/1430152612.db2.gz NFKUYWGRPKXDHL-FQEVSTJZSA-N 2 0 380.492 3.225 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)CCO2 ZINC000180996317 1430157884 /nfs/dbraw/zinc/15/78/84/1430157884.db2.gz BHQOYAHHJWEFLL-NRFANRHFSA-N 2 0 381.520 3.154 20 0 GGADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996642 1430158094 /nfs/dbraw/zinc/15/80/94/1430158094.db2.gz GQQUNOFCTMLCJC-ROUUACIJSA-N 2 0 383.536 3.268 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1OC(F)F ZINC000180996168 1430158103 /nfs/dbraw/zinc/15/81/03/1430158103.db2.gz RKHTYSUOVYZHIS-HNNXBMFYSA-N 2 0 391.462 3.430 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996580 1430158113 /nfs/dbraw/zinc/15/81/13/1430158113.db2.gz GQQUNOFCTMLCJC-QZTJIDSGSA-N 2 0 383.536 3.268 20 0 GGADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180997007 1430158714 /nfs/dbraw/zinc/15/87/14/1430158714.db2.gz FHKRVCFQNQGEJL-QFIPXVFZSA-N 2 0 381.520 3.154 20 0 GGADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180997218 1430158840 /nfs/dbraw/zinc/15/88/40/1430158840.db2.gz SUTUVYYRBDFCEA-OAHLLOKOSA-N 2 0 389.927 3.491 20 0 GGADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180999281 1430159291 /nfs/dbraw/zinc/15/92/91/1430159291.db2.gz ZMKYXHICVSRUNS-OAQYLSRUSA-N 2 0 381.520 3.290 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000181086395 1430204695 /nfs/dbraw/zinc/20/46/95/1430204695.db2.gz LQMPWHXMEPCGJN-NRFANRHFSA-N 2 0 399.514 3.039 20 0 GGADRP C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000181152111 1430228775 /nfs/dbraw/zinc/22/87/75/1430228775.db2.gz ONFMXRSNNMSFKJ-GOSISDBHSA-N 2 0 397.519 3.093 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412722 1430291748 /nfs/dbraw/zinc/29/17/48/1430291748.db2.gz ROLYHLWVFCOVCQ-NDXORKPFSA-N 2 0 387.524 3.062 20 0 GGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000181413875 1430291976 /nfs/dbraw/zinc/29/19/76/1430291976.db2.gz DTGQQZIFTKUWFZ-RAHWJDHESA-N 2 0 397.563 3.177 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414437 1430292175 /nfs/dbraw/zinc/29/21/75/1430292175.db2.gz VIXWHEDKERUVPB-TZYHBYERSA-N 3 0 389.584 3.046 20 0 GGADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000181413921 1430292198 /nfs/dbraw/zinc/29/21/98/1430292198.db2.gz DTGQQZIFTKUWFZ-QWXMGRHBSA-N 2 0 397.563 3.177 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414402 1430292226 /nfs/dbraw/zinc/29/22/26/1430292226.db2.gz VIXWHEDKERUVPB-NMNUPHIUSA-N 3 0 389.584 3.046 20 0 GGADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)oc21 ZINC000181456590 1430303731 /nfs/dbraw/zinc/30/37/31/1430303731.db2.gz QABKDXGJEGSHOG-MRXNPFEDSA-N 2 0 380.492 3.439 20 0 GGADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)oc21 ZINC000181456566 1430303817 /nfs/dbraw/zinc/30/38/17/1430303817.db2.gz QABKDXGJEGSHOG-INIZCTEOSA-N 2 0 380.492 3.439 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000181507115 1430312137 /nfs/dbraw/zinc/31/21/37/1430312137.db2.gz ORAANXLAQBMZGJ-MSOLQXFVSA-N 2 0 381.520 3.212 20 0 GGADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)oc21 ZINC000181516541 1430313814 /nfs/dbraw/zinc/31/38/14/1430313814.db2.gz OIKIDIXSBZMKMC-MRXNPFEDSA-N 2 0 380.492 3.439 20 0 GGADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1 ZINC000181536940 1430316942 /nfs/dbraw/zinc/31/69/42/1430316942.db2.gz JKLDKRXSNXRFGT-MRXNPFEDSA-N 2 0 385.533 3.230 20 0 GGADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000181577558 1430322932 /nfs/dbraw/zinc/32/29/32/1430322932.db2.gz HXZCRQKDIJNFHV-SFHVURJKSA-N 2 0 381.520 3.132 20 0 GGADRP C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181624722 1430329784 /nfs/dbraw/zinc/32/97/84/1430329784.db2.gz VHHAPXRECZNTPW-TXPKVOOTSA-N 2 0 387.474 3.395 20 0 GGADRP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181627236 1430330412 /nfs/dbraw/zinc/33/04/12/1430330412.db2.gz IEDNIPBCBUKKJL-IAGOWNOFSA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000181629495 1430330905 /nfs/dbraw/zinc/33/09/05/1430330905.db2.gz BISGLTHZITUBBB-IRXDYDNUSA-N 2 0 392.563 3.312 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000181635995 1430332208 /nfs/dbraw/zinc/33/22/08/1430332208.db2.gz LXWYVSOPNJTOQA-AOMKIAJQSA-N 2 0 389.490 3.491 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)CC1 ZINC000181642570 1430333403 /nfs/dbraw/zinc/33/34/03/1430333403.db2.gz WWBMAKZRUPCZRI-GOSISDBHSA-N 2 0 392.563 3.264 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000181643845 1430333677 /nfs/dbraw/zinc/33/36/77/1430333677.db2.gz FHMYZQUUBQUGMK-HXOBKFHXSA-N 2 0 396.510 3.223 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000181675766 1430339743 /nfs/dbraw/zinc/33/97/43/1430339743.db2.gz PYTWQHZOZVWVBQ-KDURUIRLSA-N 2 0 393.616 3.092 20 0 GGADRP C[C@H](CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000181703403 1430344098 /nfs/dbraw/zinc/34/40/98/1430344098.db2.gz ZKSNUTLYUIDPKM-IFMALSPDSA-N 2 0 386.584 3.115 20 0 GGADRP C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181812224 1430365351 /nfs/dbraw/zinc/36/53/51/1430365351.db2.gz HRSRIECMRPJTQX-FPOVZHCZSA-N 2 0 395.547 3.326 20 0 GGADRP C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181812263 1430365537 /nfs/dbraw/zinc/36/55/37/1430365537.db2.gz HRSRIECMRPJTQX-PZJWPPBQSA-N 2 0 395.547 3.326 20 0 GGADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000181907015 1430381371 /nfs/dbraw/zinc/38/13/71/1430381371.db2.gz LDYUZQYOHIQCFR-IBGZPJMESA-N 2 0 388.556 3.357 20 0 GGADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C12CCCCC2 ZINC000181975733 1430390905 /nfs/dbraw/zinc/39/09/05/1430390905.db2.gz OMYIWXMXTPXUGM-SFTDATJTSA-N 2 0 387.568 3.196 20 0 GGADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182031392 1430399203 /nfs/dbraw/zinc/39/92/03/1430399203.db2.gz IVXWAQABVSORIR-RBUKOAKNSA-N 2 0 387.572 3.171 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000182066755 1430404931 /nfs/dbraw/zinc/40/49/31/1430404931.db2.gz TZZMVSZWFSTDTD-KRWDZBQOSA-N 2 0 381.520 3.453 20 0 GGADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2(C[NH+](C)[C@@H]3C[C@H](OCC)C3(C)C)COC2)C1(C)C ZINC000182186643 1430426330 /nfs/dbraw/zinc/42/63/30/1430426330.db2.gz YCWJVJTZZDJGQY-JVSBHGNQSA-N 2 0 396.616 3.274 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)ccc1OC ZINC000182215594 1430431100 /nfs/dbraw/zinc/43/11/00/1430431100.db2.gz NNAGINVXFSBGRC-GOSISDBHSA-N 2 0 377.573 3.298 20 0 GGADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000182255460 1430437930 /nfs/dbraw/zinc/43/79/30/1430437930.db2.gz ZFMKMLBDZIHRQH-YADHBBJMSA-N 2 0 384.568 3.298 20 0 GGADRP COCc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261561 1430439086 /nfs/dbraw/zinc/43/90/86/1430439086.db2.gz SNPOHQJPDSFWNE-VGSWGCGISA-N 2 0 384.520 3.259 20 0 GGADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182263211 1430439350 /nfs/dbraw/zinc/43/93/50/1430439350.db2.gz SEVAGGNIWKBGGE-GCJKJVERSA-N 2 0 384.520 3.129 20 0 GGADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266449 1430439829 /nfs/dbraw/zinc/43/98/29/1430439829.db2.gz CQDCPMVHNKRJOE-NHCUHLMSSA-N 2 0 378.582 3.364 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272552 1430440852 /nfs/dbraw/zinc/44/08/52/1430440852.db2.gz AUYNSLLSKHZKKK-JPYJTQIMSA-N 2 0 393.531 3.231 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272616 1430441030 /nfs/dbraw/zinc/44/10/30/1430441030.db2.gz UFVXPSDFHMNDCV-JPYJTQIMSA-N 2 0 393.531 3.231 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329636 1430449363 /nfs/dbraw/zinc/44/93/63/1430449363.db2.gz RNKXBYHXUOCHRZ-NZSAHSFTSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182331720 1430449703 /nfs/dbraw/zinc/44/97/03/1430449703.db2.gz LRYMWXLQRYFFPF-SFHVURJKSA-N 2 0 386.561 3.472 20 0 GGADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182407119 1430462049 /nfs/dbraw/zinc/46/20/49/1430462049.db2.gz IRVZCTBEJWLUBK-VQTJNVASSA-N 2 0 378.605 3.451 20 0 GGADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182407159 1430462160 /nfs/dbraw/zinc/46/21/60/1430462160.db2.gz IRVZCTBEJWLUBK-PMACEKPBSA-N 2 0 378.605 3.451 20 0 GGADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000182418172 1430464419 /nfs/dbraw/zinc/46/44/19/1430464419.db2.gz HLYSHZZDRCUPKM-UHFFFAOYSA-N 2 0 378.605 3.404 20 0 GGADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182443102 1430468651 /nfs/dbraw/zinc/46/86/51/1430468651.db2.gz RLJIASFWSZFHCM-NHCUHLMSSA-N 2 0 378.582 3.364 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000182528583 1430483941 /nfs/dbraw/zinc/48/39/41/1430483941.db2.gz BJRPSJNXXCDJBL-FSSWDIPSSA-N 2 0 384.568 3.258 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000182531272 1430484538 /nfs/dbraw/zinc/48/45/38/1430484538.db2.gz KEVIEGDNYSIAGQ-UYAOXDASSA-N 2 0 390.597 3.086 20 0 GGADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182630774 1430505867 /nfs/dbraw/zinc/50/58/67/1430505867.db2.gz CJJIAWSQBKJLNQ-QHCPKHFHSA-N 2 0 392.547 3.217 20 0 GGADRP C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000182634754 1430506530 /nfs/dbraw/zinc/50/65/30/1430506530.db2.gz NLIPBBZQRHPIHI-JKSUJKDBSA-N 2 0 379.520 3.348 20 0 GGADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000182634955 1430506565 /nfs/dbraw/zinc/50/65/65/1430506565.db2.gz ZTWGYCJPLGLTCT-IRFCIJBXSA-N 2 0 386.584 3.459 20 0 GGADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000182634735 1430506744 /nfs/dbraw/zinc/50/67/44/1430506744.db2.gz NLIPBBZQRHPIHI-CVEARBPZSA-N 2 0 379.520 3.348 20 0 GGADRP C[C@@H](CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCCCC1 ZINC000182694297 1430519199 /nfs/dbraw/zinc/51/91/99/1430519199.db2.gz BSLATBVMHZURBK-LEWJYISDSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@H](CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000182712811 1430524401 /nfs/dbraw/zinc/52/44/01/1430524401.db2.gz YSCGEGDFXBWAHU-IRLDBZIGSA-N 2 0 386.584 3.414 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1C[NH+]1CCCCC1 ZINC000182776513 1430537941 /nfs/dbraw/zinc/53/79/41/1430537941.db2.gz GBZAODOCQGVHHB-OXJNMPFZSA-N 2 0 383.540 3.247 20 0 GGADRP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182835859 1430550055 /nfs/dbraw/zinc/55/00/55/1430550055.db2.gz TXOQEVWJNNZXGP-RTBURBONSA-N 2 0 376.589 3.299 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1C[NH+]1CCCCC1 ZINC000182855636 1430554387 /nfs/dbraw/zinc/55/43/87/1430554387.db2.gz ZHICILWTXKTICF-HSALFYBXSA-N 2 0 389.584 3.441 20 0 GGADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)ccc1OC ZINC000182856547 1430554702 /nfs/dbraw/zinc/55/47/02/1430554702.db2.gz WCNLFCDQOZWNOM-KRWDZBQOSA-N 2 0 375.557 3.446 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869670 1430557825 /nfs/dbraw/zinc/55/78/25/1430557825.db2.gz GBHLWHCWLAZWHG-TZIWHRDSSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930873 1430574217 /nfs/dbraw/zinc/57/42/17/1430574217.db2.gz HDRURKBZHWHPGZ-MSOLQXFVSA-N 2 0 376.545 3.006 20 0 GGADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930830 1430574444 /nfs/dbraw/zinc/57/44/44/1430574444.db2.gz HDRURKBZHWHPGZ-QZTJIDSGSA-N 2 0 376.545 3.006 20 0 GGADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000182958140 1430580727 /nfs/dbraw/zinc/58/07/27/1430580727.db2.gz LQJGSDXWWLTOHP-UHFFFAOYSA-N 2 0 376.545 3.103 20 0 GGADRP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000182958071 1430580836 /nfs/dbraw/zinc/58/08/36/1430580836.db2.gz BMTCLZMWEJACNC-UHFFFAOYSA-N 2 0 387.959 3.175 20 0 GGADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962024 1430581248 /nfs/dbraw/zinc/58/12/48/1430581248.db2.gz ILFPFHOTYUIIDW-HXUWFJFHSA-N 2 0 387.568 3.455 20 0 GGADRP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2c(c1)COCO2 ZINC000182981970 1430584902 /nfs/dbraw/zinc/58/49/02/1430584902.db2.gz ZPLIMMMTEARMLH-UHFFFAOYSA-N 2 0 378.488 3.017 20 0 GGADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)NC1(c2ccccc2)CCC1 ZINC000182984403 1430585444 /nfs/dbraw/zinc/58/54/44/1430585444.db2.gz WBWLVPMORHRTEC-UHFFFAOYSA-N 2 0 399.579 3.006 20 0 GGADRP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1C ZINC000182989712 1430586491 /nfs/dbraw/zinc/58/64/91/1430586491.db2.gz BYJOHTVOZLVSRY-HXUWFJFHSA-N 2 0 387.568 3.455 20 0 GGADRP COC[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000183078774 1430607245 /nfs/dbraw/zinc/60/72/45/1430607245.db2.gz AKQKKKKLOOZOSP-QFIPXVFZSA-N 2 0 390.474 3.399 20 0 GGADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000183127864 1430622249 /nfs/dbraw/zinc/62/22/49/1430622249.db2.gz NEWKLNRIMJIGQE-JBXUNAHCSA-N 3 0 398.639 3.149 20 0 GGADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1C[NH+]1CCCCC1 ZINC000183133702 1430624186 /nfs/dbraw/zinc/62/41/86/1430624186.db2.gz JUUGNAMTGHRESF-SJORKVTESA-N 2 0 382.570 3.155 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138665 1430626274 /nfs/dbraw/zinc/62/62/74/1430626274.db2.gz FYRTVKQEWXDYRP-CCDWMCETSA-N 3 0 398.639 3.150 20 0 GGADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000183191305 1430643604 /nfs/dbraw/zinc/64/36/04/1430643604.db2.gz NTQOREFCAJXEKV-XYJFISCASA-N 2 0 379.570 3.362 20 0 GGADRP CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183214758 1430649995 /nfs/dbraw/zinc/64/99/95/1430649995.db2.gz PHVDWQUBQHBVFT-QGZVFWFLSA-N 2 0 375.557 3.494 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226468 1430652747 /nfs/dbraw/zinc/65/27/47/1430652747.db2.gz SUVKOIXCISOPSO-DLBZAZTESA-N 2 0 377.529 3.275 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226756 1430653285 /nfs/dbraw/zinc/65/32/85/1430653285.db2.gz XKBKRVZUAPKYFD-SJORKVTESA-N 2 0 375.513 3.044 20 0 GGADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183239762 1430656894 /nfs/dbraw/zinc/65/68/94/1430656894.db2.gz CEJQHSOCTMMHNH-UHFFFAOYSA-N 2 0 382.508 3.179 20 0 GGADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000183257024 1430661718 /nfs/dbraw/zinc/66/17/18/1430661718.db2.gz INFANNXDWMMKGL-IBGZPJMESA-N 2 0 386.561 3.351 20 0 GGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000183368923 1430692121 /nfs/dbraw/zinc/69/21/21/1430692121.db2.gz VCHJQPAJCJLXLX-XMMPIXPASA-N 2 0 397.563 3.099 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000183385875 1430697019 /nfs/dbraw/zinc/69/70/19/1430697019.db2.gz WRFYBGATXYHFOC-AWEZNQCLSA-N 2 0 375.513 3.089 20 0 GGADRP COc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cc1C[NH+]1CCCCC1 ZINC000183394600 1430700327 /nfs/dbraw/zinc/70/03/27/1430700327.db2.gz AQEJQKPAGNLUMY-GOSISDBHSA-N 2 0 375.557 3.494 20 0 GGADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000183396613 1430700824 /nfs/dbraw/zinc/70/08/24/1430700824.db2.gz BVQHXMXFQOWEQB-MRXNPFEDSA-N 2 0 382.570 3.012 20 0 GGADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000183496309 1430727795 /nfs/dbraw/zinc/72/77/95/1430727795.db2.gz XIBOPCWQLNCVRN-QUCCMNQESA-N 2 0 384.524 3.236 20 0 GGADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000183504510 1430730312 /nfs/dbraw/zinc/73/03/12/1430730312.db2.gz VYQXIZNJCCTOCM-CZUORRHYSA-N 2 0 395.569 3.190 20 0 GGADRP Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000183523698 1430734691 /nfs/dbraw/zinc/73/46/91/1430734691.db2.gz IVMJQUKFSSVJTF-JOCHJYFZSA-N 2 0 399.579 3.093 20 0 GGADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000183526646 1430734920 /nfs/dbraw/zinc/73/49/20/1430734920.db2.gz BQIKWWAAUMIJJL-HSZRJFAPSA-N 2 0 397.563 3.099 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000183544686 1430739153 /nfs/dbraw/zinc/73/91/53/1430739153.db2.gz FQTAADRUMDXLSL-MRXNPFEDSA-N 2 0 387.524 3.187 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000183623392 1430756892 /nfs/dbraw/zinc/75/68/92/1430756892.db2.gz VQOWABWEHKAOTM-ROUUACIJSA-N 2 0 389.540 3.148 20 0 GGADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183739745 1430784547 /nfs/dbraw/zinc/78/45/47/1430784547.db2.gz NOJSVOQRMOMESH-QGZVFWFLSA-N 2 0 383.492 3.201 20 0 GGADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183775300 1430791353 /nfs/dbraw/zinc/79/13/53/1430791353.db2.gz LNUNWKKCCHNMLR-HKUYNNGSSA-N 2 0 383.577 3.255 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC000183951833 1430817679 /nfs/dbraw/zinc/81/76/79/1430817679.db2.gz CLIUSPKXASBHML-INIZCTEOSA-N 2 0 377.529 3.133 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-n1nccc1C ZINC000184586773 1430910472 /nfs/dbraw/zinc/91/04/72/1430910472.db2.gz KQYQZZMREVLCBO-IBGZPJMESA-N 2 0 398.555 3.061 20 0 GGADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184599748 1430914700 /nfs/dbraw/zinc/91/47/00/1430914700.db2.gz BJQIMWHODSDLGJ-QFIPXVFZSA-N 2 0 386.584 3.413 20 0 GGADRP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184605827 1430917403 /nfs/dbraw/zinc/91/74/03/1430917403.db2.gz OELCMKDFIQPGFA-QFIPXVFZSA-N 2 0 384.568 3.167 20 0 GGADRP Cc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184650601 1430929799 /nfs/dbraw/zinc/92/97/99/1430929799.db2.gz SMZJZVPKSHPGBN-UHFFFAOYSA-N 2 0 395.551 3.357 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000184752272 1430965863 /nfs/dbraw/zinc/96/58/63/1430965863.db2.gz IRPXVRFCCNUCJJ-NWMVZANLSA-N 2 0 398.526 3.483 20 0 GGADRP CCOc1cc2[nH+]ccc(N[C@H](C)CC[NH+]3CCN(C)CC3)c2cc1OCC ZINC000184826379 1430992088 /nfs/dbraw/zinc/99/20/88/1430992088.db2.gz JBXWHMBUOPCGQP-QGZVFWFLSA-N 2 0 386.540 3.470 20 0 GGADRP C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000184888933 1431013708 /nfs/dbraw/zinc/01/37/08/1431013708.db2.gz KTVBAPNMVAMGCZ-SFHVURJKSA-N 2 0 390.547 3.354 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000185026534 1431044355 /nfs/dbraw/zinc/04/43/55/1431044355.db2.gz XXDGQIACONIPNJ-HKUYNNGSSA-N 2 0 376.545 3.289 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000185026493 1431044511 /nfs/dbraw/zinc/04/45/11/1431044511.db2.gz XXDGQIACONIPNJ-MJGOQNOKSA-N 2 0 376.545 3.289 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000185091063 1431058464 /nfs/dbraw/zinc/05/84/64/1431058464.db2.gz KMJKVWRADPNEOY-UHFFFAOYSA-N 2 0 378.948 3.040 20 0 GGADRP C[NH+](C)CC1(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCCC1 ZINC000185164701 1431075742 /nfs/dbraw/zinc/07/57/42/1431075742.db2.gz WHUHAINPUAMMCK-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185198809 1431082891 /nfs/dbraw/zinc/08/28/91/1431082891.db2.gz KCHDBYXPLCBLME-UHFFFAOYSA-N 2 0 386.584 3.414 20 0 GGADRP C[NH+](C)CC1(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CCCC1 ZINC000185198579 1431083067 /nfs/dbraw/zinc/08/30/67/1431083067.db2.gz UEQAAFRIFQVZHP-UHFFFAOYSA-N 2 0 376.545 3.007 20 0 GGADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185395269 1431135566 /nfs/dbraw/zinc/13/55/66/1431135566.db2.gz BDVFQYMEFWIQDV-QGZVFWFLSA-N 2 0 398.473 3.015 20 0 GGADRP Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000185400466 1431136701 /nfs/dbraw/zinc/13/67/01/1431136701.db2.gz WDXOMUGOLJWYKR-PXNSSMCTSA-N 2 0 381.520 3.249 20 0 GGADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000185647403 1431194415 /nfs/dbraw/zinc/19/44/15/1431194415.db2.gz MKMMOSDNWXZAFY-UDKICSLYSA-N 2 0 396.531 3.312 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185670670 1431201510 /nfs/dbraw/zinc/20/15/10/1431201510.db2.gz GJIBBEVWCVZSII-GIVPXCGWSA-N 2 0 396.597 3.026 20 0 GGADRP C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733378 1431218593 /nfs/dbraw/zinc/21/85/93/1431218593.db2.gz NUMPTASHWXBNDB-ZWOKBUDYSA-N 2 0 380.960 3.460 20 0 GGADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000185870256 1431258010 /nfs/dbraw/zinc/25/80/10/1431258010.db2.gz MYXPBBXSLJIOAA-GOSISDBHSA-N 2 0 387.549 3.058 20 0 GGADRP Cn1c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000185891320 1431265775 /nfs/dbraw/zinc/26/57/75/1431265775.db2.gz PHHKTRDEIPAZNS-UHFFFAOYSA-N 2 0 397.489 3.098 20 0 GGADRP CCOc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1OC(F)F ZINC000185892684 1431265820 /nfs/dbraw/zinc/26/58/20/1431265820.db2.gz IASWPDGBFQNTRF-UHFFFAOYSA-N 2 0 385.499 3.192 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000185892417 1431265860 /nfs/dbraw/zinc/26/58/60/1431265860.db2.gz LXACPNZWFLTMLO-UHFFFAOYSA-N 2 0 375.948 3.031 20 0 GGADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000185895905 1431268140 /nfs/dbraw/zinc/26/81/40/1431268140.db2.gz BJHLTXRMSGBHLZ-UHFFFAOYSA-N 2 0 382.552 3.166 20 0 GGADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186214462 1431354159 /nfs/dbraw/zinc/35/41/59/1431354159.db2.gz SWWUPBAFARGLNH-MRXNPFEDSA-N 2 0 387.549 3.433 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186272176 1431367702 /nfs/dbraw/zinc/36/77/02/1431367702.db2.gz FFWHTCAHOSRKFA-JOCHJYFZSA-N 2 0 386.584 3.413 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186272161 1431367898 /nfs/dbraw/zinc/36/78/98/1431367898.db2.gz FFWHTCAHOSRKFA-QFIPXVFZSA-N 2 0 386.584 3.413 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000186280058 1431370515 /nfs/dbraw/zinc/37/05/15/1431370515.db2.gz XGGOYKBYAJOULO-QFIPXVFZSA-N 2 0 384.568 3.167 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000186280621 1431370744 /nfs/dbraw/zinc/37/07/44/1431370744.db2.gz OBSVCSBBOGINEA-FSSWDIPSSA-N 2 0 384.568 3.023 20 0 GGADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000186579544 1431459618 /nfs/dbraw/zinc/45/96/18/1431459618.db2.gz AHHUBELFMKTOQA-VQTJNVASSA-N 2 0 383.584 3.474 20 0 GGADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000186595411 1431463796 /nfs/dbraw/zinc/46/37/96/1431463796.db2.gz FHNSBXYUZDFVEX-FQEVSTJZSA-N 2 0 397.611 3.345 20 0 GGADRP COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000186774655 1431513198 /nfs/dbraw/zinc/51/31/98/1431513198.db2.gz KYOFFPPRZFELHB-SJORKVTESA-N 2 0 377.529 3.145 20 0 GGADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186888700 1431555826 /nfs/dbraw/zinc/55/58/26/1431555826.db2.gz TWUHXVZPHUBXSM-UHFFFAOYSA-N 2 0 381.520 3.301 20 0 GGADRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000186981655 1431582322 /nfs/dbraw/zinc/58/23/22/1431582322.db2.gz KPRPWXXLWNLNNU-YJBOKZPZSA-N 2 0 398.389 3.386 20 0 GGADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003794 1431586977 /nfs/dbraw/zinc/58/69/77/1431586977.db2.gz PRQDINZTTJBEIR-HUUCEWRRSA-N 2 0 384.362 3.140 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000187004155 1431587148 /nfs/dbraw/zinc/58/71/48/1431587148.db2.gz DIIQLTRNTISGQI-ROUUACIJSA-N 2 0 378.582 3.221 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CCS(=O)(=O)CC1 ZINC000187013762 1431589779 /nfs/dbraw/zinc/58/97/79/1431589779.db2.gz JHVRCFUJTOIEHK-QRVBRYPASA-N 2 0 392.609 3.467 20 0 GGADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000187092471 1431612638 /nfs/dbraw/zinc/61/26/38/1431612638.db2.gz YTSCWLPTRGMKRQ-IEBWSBKVSA-N 2 0 383.577 3.111 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187116833 1431620479 /nfs/dbraw/zinc/62/04/79/1431620479.db2.gz OSXONHTXHJKYOY-SFHVURJKSA-N 2 0 378.582 3.366 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187134402 1431627456 /nfs/dbraw/zinc/62/74/56/1431627456.db2.gz JVJCNJWVLYDXCI-KBXCAEBGSA-N 2 0 398.473 3.092 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159733 1431634567 /nfs/dbraw/zinc/63/45/67/1431634567.db2.gz HWEYDZNZNSIMEV-GOEBONIOSA-N 2 0 398.389 3.387 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCS(=O)(=O)CC1 ZINC000187166920 1431636058 /nfs/dbraw/zinc/63/60/58/1431636058.db2.gz RGBWVGPHDFTDRD-GOSISDBHSA-N 2 0 378.582 3.221 20 0 GGADRP CN1c2ccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cc2CCC1=O ZINC000187198112 1431644438 /nfs/dbraw/zinc/64/44/38/1431644438.db2.gz LZWIFGDBLUODHX-OAQYLSRUSA-N 2 0 377.532 3.250 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187204542 1431646660 /nfs/dbraw/zinc/64/66/60/1431646660.db2.gz RYNAALSBYIQTTO-IBGZPJMESA-N 2 0 382.552 3.120 20 0 GGADRP CN(c1ccccc1C[NH2+]CCc1nn(C)c2ccccc12)C1CC[NH+](C)CC1 ZINC000187385759 1431715633 /nfs/dbraw/zinc/71/56/33/1431715633.db2.gz GFSWPHONGLUZFR-UHFFFAOYSA-N 2 0 391.563 3.436 20 0 GGADRP Cn1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000187388127 1431716445 /nfs/dbraw/zinc/71/64/45/1431716445.db2.gz VCTIMUKTPBZSEQ-UHFFFAOYSA-N 2 0 397.954 3.311 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405681 1431721036 /nfs/dbraw/zinc/72/10/36/1431721036.db2.gz FJSUOGKKXKYRDH-LJQANCHMSA-N 2 0 384.568 3.422 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000187445759 1431732281 /nfs/dbraw/zinc/73/22/81/1431732281.db2.gz XXFDVAPTJJWHSF-JOCHJYFZSA-N 2 0 384.568 3.071 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187449374 1431733861 /nfs/dbraw/zinc/73/38/61/1431733861.db2.gz YVJGDXAORVKWDD-ZWKOTPCHSA-N 2 0 398.473 3.188 20 0 GGADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187473676 1431742488 /nfs/dbraw/zinc/74/24/88/1431742488.db2.gz YSQWFMBCQAKSNH-JOCHJYFZSA-N 2 0 386.584 3.413 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000187476841 1431743340 /nfs/dbraw/zinc/74/33/40/1431743340.db2.gz PCLYHVPACWTUNX-BHIFYINESA-N 2 0 386.584 3.269 20 0 GGADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000187584651 1431773115 /nfs/dbraw/zinc/77/31/15/1431773115.db2.gz YVJFJCVXGVTIRQ-OAQYLSRUSA-N 2 0 386.584 3.459 20 0 GGADRP CCCC[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000187887938 1431824323 /nfs/dbraw/zinc/82/43/23/1431824323.db2.gz HJCIIIAISZHBHX-UHFFFAOYSA-N 2 0 383.536 3.448 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187956661 1431831131 /nfs/dbraw/zinc/83/11/31/1431831131.db2.gz KBZOXEIUEVAGOJ-FXAWDEMLSA-N 2 0 377.598 3.485 20 0 GGADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000188321899 1431873126 /nfs/dbraw/zinc/87/31/26/1431873126.db2.gz QYSBDQGKQGILEN-HXUWFJFHSA-N 2 0 386.584 3.257 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2)CC1 ZINC000188859760 1431999682 /nfs/dbraw/zinc/99/96/82/1431999682.db2.gz BMRZRPCCWVJNPS-HXUWFJFHSA-N 2 0 399.583 3.168 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000188864366 1432000796 /nfs/dbraw/zinc/00/07/96/1432000796.db2.gz IYZVEDARDLFSME-HXUWFJFHSA-N 2 0 379.495 3.120 20 0 GGADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000188864387 1432001024 /nfs/dbraw/zinc/00/10/24/1432001024.db2.gz IYZVEDARDLFSME-FQEVSTJZSA-N 2 0 379.495 3.120 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189004288 1432025490 /nfs/dbraw/zinc/02/54/90/1432025490.db2.gz OPIFPHSJTMQZTJ-LMDPOFIKSA-N 2 0 383.536 3.448 20 0 GGADRP CC1CC[NH+](CCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189007385 1432025724 /nfs/dbraw/zinc/02/57/24/1432025724.db2.gz CFGDDPWUJALEKZ-UHFFFAOYSA-N 2 0 383.536 3.305 20 0 GGADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000189057535 1432036324 /nfs/dbraw/zinc/03/63/24/1432036324.db2.gz FNJGUKBOHPRPOB-OKILXGFUSA-N 2 0 388.421 3.022 20 0 GGADRP C[C@H]1C[NH+](CC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000189057557 1432036492 /nfs/dbraw/zinc/03/64/92/1432036492.db2.gz FNJGUKBOHPRPOB-KBPBESRZSA-N 2 0 388.421 3.022 20 0 GGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2=O)cc1 ZINC000189082355 1432041741 /nfs/dbraw/zinc/04/17/41/1432041741.db2.gz VDHJRXIPNZWDNK-WMZHIEFXSA-N 2 0 395.547 3.387 20 0 GGADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100105 1432045208 /nfs/dbraw/zinc/04/52/08/1432045208.db2.gz SEOUAZKUKGAGJA-AUSIDOKSSA-N 2 0 395.547 3.387 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189150674 1432052759 /nfs/dbraw/zinc/05/27/59/1432052759.db2.gz OENNIVARYYXGAS-VIQWUECVSA-N 2 0 383.536 3.304 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189150654 1432053018 /nfs/dbraw/zinc/05/30/18/1432053018.db2.gz OENNIVARYYXGAS-LMDPOFIKSA-N 2 0 383.536 3.304 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000189929757 1432277886 /nfs/dbraw/zinc/27/78/86/1432277886.db2.gz GMYKWASNMXZMDE-IBGZPJMESA-N 2 0 396.620 3.028 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000189998200 1432301712 /nfs/dbraw/zinc/30/17/12/1432301712.db2.gz SKXVMCUTQCSJMB-APWZRJJASA-N 2 0 388.508 3.446 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190071898 1432314346 /nfs/dbraw/zinc/31/43/46/1432314346.db2.gz CKFHPULDSZDPJH-QFBILLFUSA-N 2 0 398.954 3.455 20 0 GGADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000190224946 1432344630 /nfs/dbraw/zinc/34/46/30/1432344630.db2.gz WDTWVKBQVTVPAZ-LJQANCHMSA-N 2 0 387.572 3.124 20 0 GGADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1c[nH]c2ccccc12 ZINC000190480106 1432389679 /nfs/dbraw/zinc/38/96/79/1432389679.db2.gz YXCBVXRYOFJQPR-QFIPXVFZSA-N 2 0 378.520 3.409 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn(C(C)(C)C)nn3)CC2)c1 ZINC000190732449 1432460715 /nfs/dbraw/zinc/46/07/15/1432460715.db2.gz XYNGKYMGHMCYNI-UHFFFAOYSA-N 2 0 384.572 3.034 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190834519 1432500315 /nfs/dbraw/zinc/50/03/15/1432500315.db2.gz NXMLLQSRFPVIBV-FQEVSTJZSA-N 2 0 398.555 3.061 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000190853472 1432508345 /nfs/dbraw/zinc/50/83/45/1432508345.db2.gz IWYLDUDOGZFSFS-UHFFFAOYSA-N 2 0 378.442 3.450 20 0 GGADRP COCCN(C)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000190871841 1432515036 /nfs/dbraw/zinc/51/50/36/1432515036.db2.gz LBYUZTUEFRIBJJ-UHFFFAOYSA-N 2 0 382.552 3.166 20 0 GGADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190937893 1432533272 /nfs/dbraw/zinc/53/32/72/1432533272.db2.gz ANLUVJNZCVZYRT-OAQYLSRUSA-N 2 0 393.616 3.428 20 0 GGADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000190968081 1432539827 /nfs/dbraw/zinc/53/98/27/1432539827.db2.gz CPNVYTMWRXYILY-UHFFFAOYSA-N 2 0 382.552 3.173 20 0 GGADRP CCS(=O)(=O)CCCCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000191100015 1432568063 /nfs/dbraw/zinc/56/80/63/1432568063.db2.gz SNXHJMNRRCIZHG-PMSBKCLSSA-N 2 0 380.598 3.338 20 0 GGADRP CCN(CCC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000191339297 1432636580 /nfs/dbraw/zinc/63/65/80/1432636580.db2.gz XPECVPSQFKWCQC-UHFFFAOYSA-N 2 0 378.586 3.083 20 0 GGADRP COc1ccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000191390680 1432648991 /nfs/dbraw/zinc/64/89/91/1432648991.db2.gz LAWVWWPSUSSFJG-OAQYLSRUSA-N 2 0 375.557 3.257 20 0 GGADRP COc1ccccc1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H]1CCCO1 ZINC000191436547 1432661602 /nfs/dbraw/zinc/66/16/02/1432661602.db2.gz GSHUWBLZENYFSU-QFIPXVFZSA-N 2 0 389.584 3.092 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000191480390 1432669491 /nfs/dbraw/zinc/66/94/91/1432669491.db2.gz GLBVVVDQVXIMFN-IBGZPJMESA-N 2 0 394.554 3.060 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCS2 ZINC000191492597 1432672014 /nfs/dbraw/zinc/67/20/14/1432672014.db2.gz SBPYZVFIRIHYFX-LJQANCHMSA-N 2 0 384.549 3.169 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCS2 ZINC000191508453 1432675078 /nfs/dbraw/zinc/67/50/78/1432675078.db2.gz NISOYJBDOSKUMP-HXUWFJFHSA-N 2 0 399.560 3.313 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCS2 ZINC000191508467 1432675312 /nfs/dbraw/zinc/67/53/12/1432675312.db2.gz NISOYJBDOSKUMP-FQEVSTJZSA-N 2 0 399.560 3.313 20 0 GGADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H](O)c1ccc(F)cc1 ZINC000191510641 1432675796 /nfs/dbraw/zinc/67/57/96/1432675796.db2.gz MNVOHBKRXFIKAE-JOCHJYFZSA-N 2 0 379.564 3.233 20 0 GGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCN(c2ccccn2)CC1 ZINC000191519595 1432677691 /nfs/dbraw/zinc/67/76/91/1432677691.db2.gz JRBDVTNNQQTAKT-UHFFFAOYSA-N 2 0 387.616 3.036 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000191532749 1432679263 /nfs/dbraw/zinc/67/92/63/1432679263.db2.gz LKNMTUYHQCSFGL-FQEVSTJZSA-N 2 0 399.560 3.313 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561814 1432683118 /nfs/dbraw/zinc/68/31/18/1432683118.db2.gz FBYGYJXUZMREGB-GBESFXJTSA-N 2 0 399.560 3.363 20 0 GGADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192155051 1432809014 /nfs/dbraw/zinc/80/90/14/1432809014.db2.gz BQLILKXXYYRMJP-SJLPKXTDSA-N 2 0 389.515 3.104 20 0 GGADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000192232422 1432820373 /nfs/dbraw/zinc/82/03/73/1432820373.db2.gz VWCHSXOCSAJOQX-GGAORHGYSA-N 2 0 399.579 3.048 20 0 GGADRP O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000192615353 1432866436 /nfs/dbraw/zinc/86/64/36/1432866436.db2.gz ZMEBMVPOGFRLPT-UHFFFAOYSA-N 2 0 392.975 3.480 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1OC ZINC000192682467 1432874974 /nfs/dbraw/zinc/87/49/74/1432874974.db2.gz WMRGEZOUBVNLRB-MRXNPFEDSA-N 2 0 394.585 3.297 20 0 GGADRP COc1ccc(C(=O)C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192717225 1432879265 /nfs/dbraw/zinc/87/92/65/1432879265.db2.gz FZPICUCLTYHCTO-UHFFFAOYSA-N 2 0 387.568 3.006 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000192734486 1432881982 /nfs/dbraw/zinc/88/19/82/1432881982.db2.gz XGOBNAPHKBSVEN-IBGZPJMESA-N 2 0 386.565 3.446 20 0 GGADRP CCN1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCCC3)c2C1 ZINC000192737063 1432882377 /nfs/dbraw/zinc/88/23/77/1432882377.db2.gz YAPQOOUQNMZFCZ-UHFFFAOYSA-N 2 0 380.536 3.219 20 0 GGADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1O ZINC000192750337 1432884368 /nfs/dbraw/zinc/88/43/68/1432884368.db2.gz SMHMEAYWDZFYNH-UHFFFAOYSA-N 2 0 398.389 3.393 20 0 GGADRP CN(CC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000192779942 1432889617 /nfs/dbraw/zinc/88/96/17/1432889617.db2.gz UUGYYEVASKHFKQ-UHFFFAOYSA-N 2 0 375.557 3.100 20 0 GGADRP COc1ccccc1COC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192783482 1432890301 /nfs/dbraw/zinc/89/03/01/1432890301.db2.gz OIUHNAGRQCYVIP-UHFFFAOYSA-N 2 0 389.584 3.092 20 0 GGADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848520 1432898611 /nfs/dbraw/zinc/89/86/11/1432898611.db2.gz SDZVIQXPFAZPKT-VQTJNVASSA-N 2 0 383.939 3.315 20 0 GGADRP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000192934194 1432909953 /nfs/dbraw/zinc/90/99/53/1432909953.db2.gz XHYZKKGLHIFQPF-NRFANRHFSA-N 2 0 396.531 3.467 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000192958340 1432913081 /nfs/dbraw/zinc/91/30/81/1432913081.db2.gz PBDDZYAPJSDNGT-QHCPKHFHSA-N 2 0 394.563 3.296 20 0 GGADRP O=C(NCCC[NH2+]C1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193053786 1432928859 /nfs/dbraw/zinc/92/88/59/1432928859.db2.gz FKFVFKPZPVCKEV-UHFFFAOYSA-N 2 0 386.584 3.305 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1cccs1 ZINC000193106855 1432937033 /nfs/dbraw/zinc/93/70/33/1432937033.db2.gz JZOQMDAQESQSRK-SFHVURJKSA-N 2 0 390.553 3.250 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000193127625 1432940564 /nfs/dbraw/zinc/94/05/64/1432940564.db2.gz RQSLDKYLCKFJJU-GOSISDBHSA-N 2 0 378.586 3.139 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000193127644 1432940649 /nfs/dbraw/zinc/94/06/49/1432940649.db2.gz RQSLDKYLCKFJJU-SFHVURJKSA-N 2 0 378.586 3.139 20 0 GGADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193311762 1432977456 /nfs/dbraw/zinc/97/74/56/1432977456.db2.gz MSSZJVIEBKZSJS-QHCPKHFHSA-N 2 0 380.532 3.301 20 0 GGADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193311747 1432977487 /nfs/dbraw/zinc/97/74/87/1432977487.db2.gz MSSZJVIEBKZSJS-HSZRJFAPSA-N 2 0 380.532 3.301 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193336622 1432981766 /nfs/dbraw/zinc/98/17/66/1432981766.db2.gz LQEYWDICFKEMTK-NOTZXAQLSA-N 2 0 389.543 3.470 20 0 GGADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193720220 1433046783 /nfs/dbraw/zinc/04/67/83/1433046783.db2.gz FDKZMFSZRMYZEL-UHFFFAOYSA-N 2 0 387.572 3.213 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000193803086 1433063003 /nfs/dbraw/zinc/06/30/03/1433063003.db2.gz KHCMSUMYDUWTHC-PKTZIBPZSA-N 2 0 377.532 3.289 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000193832285 1433068517 /nfs/dbraw/zinc/06/85/17/1433068517.db2.gz DLWSLRAADYDCOW-UHFFFAOYSA-N 2 0 390.547 3.352 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193831466 1433068674 /nfs/dbraw/zinc/06/86/74/1433068674.db2.gz GMSAHOSMCHXXAE-UHFFFAOYSA-N 2 0 378.536 3.162 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000193929673 1433086716 /nfs/dbraw/zinc/08/67/16/1433086716.db2.gz ZVJWHHCVGOHNSD-SIKLNZKXSA-N 2 0 398.526 3.250 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OC ZINC000193982188 1433095818 /nfs/dbraw/zinc/09/58/18/1433095818.db2.gz VHXLVIBZVPQUDK-STZQEDGTSA-N 2 0 388.552 3.463 20 0 GGADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000194051273 1433107620 /nfs/dbraw/zinc/10/76/20/1433107620.db2.gz DHSPDFRJOVLUIP-XMMPIXPASA-N 2 0 391.559 3.474 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000194069735 1433111373 /nfs/dbraw/zinc/11/13/73/1433111373.db2.gz YFPLXTASMAJJRD-DENIHFKCSA-N 2 0 398.526 3.250 20 0 GGADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194188682 1433134732 /nfs/dbraw/zinc/13/47/32/1433134732.db2.gz YVFJDMBCBJUGBL-JOCHJYFZSA-N 2 0 386.584 3.464 20 0 GGADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000194225628 1433142869 /nfs/dbraw/zinc/14/28/69/1433142869.db2.gz CJSDJNZHQBVDAY-NRFANRHFSA-N 2 0 398.526 3.079 20 0 GGADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000194251597 1433149008 /nfs/dbraw/zinc/14/90/08/1433149008.db2.gz GYJYUNAKGJUOGQ-HXUWFJFHSA-N 2 0 375.944 3.468 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000194333648 1433162973 /nfs/dbraw/zinc/16/29/73/1433162973.db2.gz GNLPORJBUSCBIR-NRFANRHFSA-N 2 0 385.552 3.213 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000194333636 1433163012 /nfs/dbraw/zinc/16/30/12/1433163012.db2.gz GNLPORJBUSCBIR-OAQYLSRUSA-N 2 0 385.552 3.213 20 0 GGADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000194402417 1433172625 /nfs/dbraw/zinc/17/26/25/1433172625.db2.gz FADAQOYFEVXQIJ-MRXNPFEDSA-N 2 0 382.936 3.228 20 0 GGADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)CC(C)C ZINC000194408613 1433173583 /nfs/dbraw/zinc/17/35/83/1433173583.db2.gz UFIAPNDVNQRVIG-OAQYLSRUSA-N 2 0 389.588 3.102 20 0 GGADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000194416013 1433174738 /nfs/dbraw/zinc/17/47/38/1433174738.db2.gz NREOVSOPTYOARR-OAQYLSRUSA-N 2 0 398.551 3.183 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000194420571 1433175181 /nfs/dbraw/zinc/17/51/81/1433175181.db2.gz KWAVBVKLFWNHGL-OAQYLSRUSA-N 2 0 384.568 3.168 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194439955 1433178417 /nfs/dbraw/zinc/17/84/17/1433178417.db2.gz GRKVQUGKBSMZJP-HSZRJFAPSA-N 2 0 394.563 3.282 20 0 GGADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194439941 1433178423 /nfs/dbraw/zinc/17/84/23/1433178423.db2.gz GRKVQUGKBSMZJP-QHCPKHFHSA-N 2 0 394.563 3.282 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000194445453 1433179255 /nfs/dbraw/zinc/17/92/55/1433179255.db2.gz DBDIABDUGJVEPT-OAQYLSRUSA-N 2 0 384.568 3.168 20 0 GGADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000194449009 1433179869 /nfs/dbraw/zinc/17/98/69/1433179869.db2.gz IINXCDVZRAPBAX-FGZHOGPDSA-N 2 0 384.568 3.168 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000194447878 1433179881 /nfs/dbraw/zinc/17/98/81/1433179881.db2.gz HQCKYHKWGKADQV-QZNHQXDQSA-N 2 0 396.579 3.167 20 0 GGADRP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194643328 1433210193 /nfs/dbraw/zinc/21/01/93/1433210193.db2.gz NNBQXYCIGOXOSM-HSZRJFAPSA-N 2 0 377.532 3.388 20 0 GGADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000194685869 1433215447 /nfs/dbraw/zinc/21/54/47/1433215447.db2.gz KXJBBMOPNXXFMU-JOCHJYFZSA-N 2 0 384.568 3.306 20 0 GGADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000194685888 1433215519 /nfs/dbraw/zinc/21/55/19/1433215519.db2.gz KXJBBMOPNXXFMU-QFIPXVFZSA-N 2 0 384.568 3.306 20 0 GGADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000194767680 1433228058 /nfs/dbraw/zinc/22/80/58/1433228058.db2.gz ZSRNQGZUOCXWNJ-GGAORHGYSA-N 2 0 381.564 3.374 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000194774265 1433229115 /nfs/dbraw/zinc/22/91/15/1433229115.db2.gz IHMYPNIWOQSIRW-UHFFFAOYSA-N 2 0 375.557 3.400 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194809012 1433237260 /nfs/dbraw/zinc/23/72/60/1433237260.db2.gz YUCPKZJIVOCOOG-NRFANRHFSA-N 2 0 385.552 3.080 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000194870064 1433253266 /nfs/dbraw/zinc/25/32/66/1433253266.db2.gz CYNNZAFJOSIFMX-SFHVURJKSA-N 2 0 383.458 3.299 20 0 GGADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000194879962 1433255228 /nfs/dbraw/zinc/25/52/28/1433255228.db2.gz AHEPABAYZFJRLU-OAQYLSRUSA-N 2 0 381.520 3.154 20 0 GGADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000194925816 1433265875 /nfs/dbraw/zinc/26/58/75/1433265875.db2.gz PZQAFBRNOATMAH-GOSISDBHSA-N 2 0 375.532 3.417 20 0 GGADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000195139443 1433298267 /nfs/dbraw/zinc/29/82/67/1433298267.db2.gz OLHNVRSHSGWOSB-UHFFFAOYSA-N 2 0 377.532 3.220 20 0 GGADRP COc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[NH+]2CCCCC2)cc1 ZINC000195297702 1433316424 /nfs/dbraw/zinc/31/64/24/1433316424.db2.gz HTBNISKZUWNWRB-QFIPXVFZSA-N 2 0 385.552 3.213 20 0 GGADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195382933 1433324546 /nfs/dbraw/zinc/32/45/46/1433324546.db2.gz OLTIJMXFDCTPIC-UHFFFAOYSA-N 2 0 392.975 3.288 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383424 1433324650 /nfs/dbraw/zinc/32/46/50/1433324650.db2.gz XRYKWJAJEPEAQV-UHFFFAOYSA-N 2 0 396.526 3.301 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cc1)C(C)C ZINC000195459363 1433332425 /nfs/dbraw/zinc/33/24/25/1433332425.db2.gz MMHQDQCWONYOEU-NRFANRHFSA-N 2 0 375.557 3.004 20 0 GGADRP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000195601121 1433341217 /nfs/dbraw/zinc/34/12/17/1433341217.db2.gz HQHPVCWDKQOLTK-FQEVSTJZSA-N 2 0 378.536 3.382 20 0 GGADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000195606503 1433341259 /nfs/dbraw/zinc/34/12/59/1433341259.db2.gz XTPDQFGAZYSQLL-HSZRJFAPSA-N 2 0 392.547 3.009 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)cc1 ZINC000195663611 1433343861 /nfs/dbraw/zinc/34/38/61/1433343861.db2.gz MYTFZZKUPYXZMA-VXKWHMMOSA-N 2 0 387.568 3.459 20 0 GGADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000236655557 1433375298 /nfs/dbraw/zinc/37/52/98/1433375298.db2.gz QWEFDQQGBHOASK-UHFFFAOYSA-N 2 0 381.948 3.065 20 0 GGADRP c1ncn(-c2ccc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)cc2)n1 ZINC000236655100 1433375351 /nfs/dbraw/zinc/37/53/51/1433375351.db2.gz OTZCZNSJUGZHNO-UHFFFAOYSA-N 2 0 377.492 3.032 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000236698208 1433376160 /nfs/dbraw/zinc/37/61/60/1433376160.db2.gz GSHVDHWXHYHCTB-UHFFFAOYSA-N 2 0 381.520 3.103 20 0 GGADRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000236698163 1433376213 /nfs/dbraw/zinc/37/62/13/1433376213.db2.gz SZLOIOJTIMSNEA-UHFFFAOYSA-N 2 0 395.547 3.145 20 0 GGADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)N1CC[NH+](C)CC1 ZINC000236710924 1433376718 /nfs/dbraw/zinc/37/67/18/1433376718.db2.gz VOOPOLYZIVJPGJ-VQTJNVASSA-N 2 0 394.401 3.168 20 0 GGADRP CC(C)[C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[NH+]1CCCCC1 ZINC000236807281 1433379340 /nfs/dbraw/zinc/37/93/40/1433379340.db2.gz TVQGMYUBCOQWIC-HXUWFJFHSA-N 2 0 387.524 3.044 20 0 GGADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236838675 1433380627 /nfs/dbraw/zinc/38/06/27/1433380627.db2.gz SAQYLMRMRYFLHX-UHFFFAOYSA-N 2 0 395.595 3.342 20 0 GGADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(C)nc4sc(C)cn34)cc2)CC1 ZINC000236844375 1433380698 /nfs/dbraw/zinc/38/06/98/1433380698.db2.gz SOJGWTRFAOYUOJ-UHFFFAOYSA-N 2 0 397.592 3.440 20 0 GGADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236875493 1433381744 /nfs/dbraw/zinc/38/17/44/1433381744.db2.gz ZIMJGGHIQASHKX-UHFFFAOYSA-N 2 0 381.524 3.287 20 0 GGADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236883078 1433382015 /nfs/dbraw/zinc/38/20/15/1433382015.db2.gz RAFHSLOFSITQHV-AWEZNQCLSA-N 2 0 375.891 3.305 20 0 GGADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236899206 1433382673 /nfs/dbraw/zinc/38/26/73/1433382673.db2.gz FNXUHDGXEYLXFA-AYHJJNSGSA-N 2 0 383.540 3.237 20 0 GGADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000236906502 1433382914 /nfs/dbraw/zinc/38/29/14/1433382914.db2.gz UCWSXFZCRXHJBJ-UHFFFAOYSA-N 2 0 379.548 3.466 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237084163 1433388449 /nfs/dbraw/zinc/38/84/49/1433388449.db2.gz WMBGDJPPKMJJDC-UHFFFAOYSA-N 2 0 389.547 3.266 20 0 GGADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237157743 1433390909 /nfs/dbraw/zinc/39/09/09/1433390909.db2.gz KKCSKQIGSUZYIY-UHFFFAOYSA-N 2 0 375.891 3.305 20 0 GGADRP COc1ccccc1[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000237197858 1433392323 /nfs/dbraw/zinc/39/23/23/1433392323.db2.gz PLDBWRLXVSVNLX-SMLSOGCJSA-N 2 0 385.552 3.259 20 0 GGADRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237204662 1433392491 /nfs/dbraw/zinc/39/24/91/1433392491.db2.gz PENQVEMICMOKHQ-UHFFFAOYSA-N 2 0 388.943 3.041 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237257533 1433394439 /nfs/dbraw/zinc/39/44/39/1433394439.db2.gz IIDZNIQLJFKQJV-RXVVDRJESA-N 2 0 387.568 3.364 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000237256709 1433394557 /nfs/dbraw/zinc/39/45/57/1433394557.db2.gz KUQFZYGHXYBQDY-SFTDATJTSA-N 2 0 381.520 3.429 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237287826 1433396145 /nfs/dbraw/zinc/39/61/45/1433396145.db2.gz DSYKEBPSEPRCFV-WZONZLPQSA-N 2 0 395.547 3.360 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCC2)cc1 ZINC000237325519 1433397508 /nfs/dbraw/zinc/39/75/08/1433397508.db2.gz CBOSOVJSRYRNEP-BULFRSBZSA-N 2 0 381.520 3.284 20 0 GGADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000237337244 1433397963 /nfs/dbraw/zinc/39/79/63/1433397963.db2.gz AMGOYBVZIGJABV-UHFFFAOYSA-N 2 0 397.563 3.486 20 0 GGADRP C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC[NH2+]CC1 ZINC000237400459 1433400724 /nfs/dbraw/zinc/40/07/24/1433400724.db2.gz ABQOZQVBESAMRU-INIZCTEOSA-N 2 0 377.960 3.446 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000237412326 1433401613 /nfs/dbraw/zinc/40/16/13/1433401613.db2.gz HDAGCQBPSFKLGQ-RBUKOAKNSA-N 2 0 387.568 3.028 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237417317 1433401985 /nfs/dbraw/zinc/40/19/85/1433401985.db2.gz IBELCPYIUSPFGF-DNVFCKCGSA-N 2 0 395.547 3.392 20 0 GGADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000237417787 1433402189 /nfs/dbraw/zinc/40/21/89/1433402189.db2.gz KJBAEGLJOQAVNY-YHBROIRLSA-N 2 0 387.568 3.210 20 0 GGADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000237479943 1433405519 /nfs/dbraw/zinc/40/55/19/1433405519.db2.gz FEWQFABQGXNARI-LEOXJPRUSA-N 2 0 377.532 3.212 20 0 GGADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000237490302 1433405840 /nfs/dbraw/zinc/40/58/40/1433405840.db2.gz MAQGMVSYUSUOGM-JMUQELJHSA-N 2 0 377.532 3.385 20 0 GGADRP C[C@@H](CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000237559155 1433409600 /nfs/dbraw/zinc/40/96/00/1433409600.db2.gz HOIJKOGXNUFWPD-FQEVSTJZSA-N 2 0 379.548 3.335 20 0 GGADRP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cc12 ZINC000237579856 1433410607 /nfs/dbraw/zinc/41/06/07/1433410607.db2.gz CIHITMWGSBWZDO-IAGOWNOFSA-N 2 0 393.535 3.176 20 0 GGADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237592828 1433411354 /nfs/dbraw/zinc/41/13/54/1433411354.db2.gz QEMKEAVNWHPNBW-OAQYLSRUSA-N 2 0 381.545 3.197 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000237631145 1433413576 /nfs/dbraw/zinc/41/35/76/1433413576.db2.gz KJBAEGLJOQAVNY-OSZJIOELSA-N 2 0 387.568 3.210 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC[C@H]([NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237630432 1433413778 /nfs/dbraw/zinc/41/37/78/1433413778.db2.gz IBELCPYIUSPFGF-YYDVJCTNSA-N 2 0 395.547 3.392 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)C[C@H](C)O1 ZINC000237781161 1433423821 /nfs/dbraw/zinc/42/38/21/1433423821.db2.gz ZLFPLHVIZLVZBE-HDICACEKSA-N 2 0 382.504 3.357 20 0 GGADRP [NH3+][C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000237862855 1433429875 /nfs/dbraw/zinc/42/98/75/1433429875.db2.gz MLQZIYVPYCPIEL-OAQYLSRUSA-N 2 0 380.492 3.140 20 0 GGADRP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000237872733 1433430379 /nfs/dbraw/zinc/43/03/79/1433430379.db2.gz DCSJESLGTHGDPA-RBUKOAKNSA-N 2 0 391.437 3.486 20 0 GGADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000237878338 1433431139 /nfs/dbraw/zinc/43/11/39/1433431139.db2.gz VIHBRBHOTXCNFS-GOSISDBHSA-N 2 0 375.944 3.058 20 0 GGADRP O=C(N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237904634 1433433346 /nfs/dbraw/zinc/43/33/46/1433433346.db2.gz WAIIKFJJHMSHFG-OAQYLSRUSA-N 2 0 383.580 3.422 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)C1 ZINC000237922509 1433434733 /nfs/dbraw/zinc/43/47/33/1433434733.db2.gz DLRJMEXXDQGKCG-HXUWFJFHSA-N 2 0 376.504 3.155 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)C1 ZINC000237922552 1433434739 /nfs/dbraw/zinc/43/47/39/1433434739.db2.gz GKAMDYRAFNHIBU-OAQYLSRUSA-N 2 0 376.504 3.155 20 0 GGADRP Cn1cncc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237926402 1433435135 /nfs/dbraw/zinc/43/51/35/1433435135.db2.gz HFLMFJZUUWOXHD-UHFFFAOYSA-N 2 0 395.473 3.131 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)C1 ZINC000237939418 1433435913 /nfs/dbraw/zinc/43/59/13/1433435913.db2.gz GKAMDYRAFNHIBU-NRFANRHFSA-N 2 0 376.504 3.155 20 0 GGADRP [NH3+][C@H](CCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000237944405 1433436180 /nfs/dbraw/zinc/43/61/80/1433436180.db2.gz ONFPQJDOIWSOFF-PKOBYXMFSA-N 2 0 381.476 3.014 20 0 GGADRP O=C(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)N1CCCc2ccccc21 ZINC000237947474 1433436615 /nfs/dbraw/zinc/43/66/15/1433436615.db2.gz ZVQABAGKAMYWEL-UHFFFAOYSA-N 2 0 393.531 3.230 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237958694 1433437082 /nfs/dbraw/zinc/43/70/82/1433437082.db2.gz XGVYGHJPPUUEOV-UXHICEINSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@@H](CCC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000237958633 1433437171 /nfs/dbraw/zinc/43/71/71/1433437171.db2.gz KLMWKZACQYLCHT-FQEVSTJZSA-N 2 0 381.476 3.014 20 0 GGADRP [NH3+][C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000238016176 1433439606 /nfs/dbraw/zinc/43/96/06/1433439606.db2.gz OEKQPZIVZZAXLI-ICSRJNTNSA-N 2 0 391.437 3.257 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238055824 1433441169 /nfs/dbraw/zinc/44/11/69/1433441169.db2.gz XYOKJPHDZDHYQY-QHCPKHFHSA-N 2 0 377.532 3.393 20 0 GGADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000238082889 1433442543 /nfs/dbraw/zinc/44/25/43/1433442543.db2.gz MFLSKRIYFCVLKD-DEOSSOPVSA-N 2 0 393.575 3.408 20 0 GGADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000245201415 1433454761 /nfs/dbraw/zinc/45/47/61/1433454761.db2.gz IWRQDYHMZQEHMP-CEXWTWQISA-N 2 0 387.568 3.285 20 0 GGADRP CC[N@H+](C)C[C@H]1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432477 1433466552 /nfs/dbraw/zinc/46/65/52/1433466552.db2.gz BHPFOSRPDGAKIT-LSDHHAIUSA-N 2 0 387.597 3.214 20 0 GGADRP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2CN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245450678 1433470052 /nfs/dbraw/zinc/47/00/52/1433470052.db2.gz OVYMLUOFWOXPCW-VXKWHMMOSA-N 2 0 386.628 3.234 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245455439 1433471524 /nfs/dbraw/zinc/47/15/24/1433471524.db2.gz IBSBIEDMYHNRCT-QZTJIDSGSA-N 2 0 381.586 3.100 20 0 GGADRP COc1cccc(CNC(=O)[C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000245457853 1433471924 /nfs/dbraw/zinc/47/19/24/1433471924.db2.gz UOINFBCMCXFHHF-SIKLNZKXSA-N 2 0 395.547 3.154 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245461003 1433472328 /nfs/dbraw/zinc/47/23/28/1433472328.db2.gz MQZBDORQPDUTDS-GUDVDZBRSA-N 2 0 395.613 3.346 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245461002 1433472400 /nfs/dbraw/zinc/47/24/00/1433472400.db2.gz MQZBDORQPDUTDS-CEXWTWQISA-N 2 0 395.613 3.346 20 0 GGADRP CC[NH+]1CCN([C@H]2CCN([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000245495565 1433477247 /nfs/dbraw/zinc/47/72/47/1433477247.db2.gz PSVDFLSTRJTVJU-QAPCUYQASA-N 2 0 389.931 3.163 20 0 GGADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000245547934 1433483759 /nfs/dbraw/zinc/48/37/59/1433483759.db2.gz FQGHVZHYYVYGKS-YTFSRNRJSA-N 2 0 383.580 3.444 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000245552670 1433484050 /nfs/dbraw/zinc/48/40/50/1433484050.db2.gz QOWZBZNXQLLMIG-KGEPEWOVSA-N 2 0 395.588 3.396 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000245587914 1433488339 /nfs/dbraw/zinc/48/83/39/1433488339.db2.gz APEALCAWCLEXEH-QZTJIDSGSA-N 2 0 378.586 3.258 20 0 GGADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245644869 1433494989 /nfs/dbraw/zinc/49/49/89/1433494989.db2.gz AZKLBUCFSAIZEZ-ATZDWAIDSA-N 2 0 381.923 3.463 20 0 GGADRP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245721801 1433505847 /nfs/dbraw/zinc/50/58/47/1433505847.db2.gz UVBIXZFDCQENJX-SVFBPWRDSA-N 2 0 384.524 3.050 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245732678 1433507396 /nfs/dbraw/zinc/50/73/96/1433507396.db2.gz UDIITGUTTGWWAY-MDZRGWNJSA-N 2 0 396.938 3.208 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245732671 1433507431 /nfs/dbraw/zinc/50/74/31/1433507431.db2.gz UDIITGUTTGWWAY-FRQCXROJSA-N 2 0 396.938 3.208 20 0 GGADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245732669 1433507595 /nfs/dbraw/zinc/50/75/95/1433507595.db2.gz UDIITGUTTGWWAY-FCEWJHQRSA-N 2 0 396.938 3.208 20 0 GGADRP COc1ccc([C@@H](CO)[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000245731670 1433507627 /nfs/dbraw/zinc/50/76/27/1433507627.db2.gz JVVUHOVUJUQKNX-XMMPIXPASA-N 2 0 397.563 3.391 20 0 GGADRP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000245840046 1433525097 /nfs/dbraw/zinc/52/50/97/1433525097.db2.gz DGFCJBQHFRQQIW-IFMALSPDSA-N 2 0 384.568 3.167 20 0 GGADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[NH+]2CCCC2)cc1 ZINC000245883731 1433533918 /nfs/dbraw/zinc/53/39/18/1433533918.db2.gz BJRPSJNXXCDJBL-BDTNDASRSA-N 2 0 384.568 3.258 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245896461 1433536553 /nfs/dbraw/zinc/53/65/53/1433536553.db2.gz DBMGERDWVRDHNH-ZSYWTGECSA-N 2 0 383.577 3.159 20 0 GGADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000245934456 1433546791 /nfs/dbraw/zinc/54/67/91/1433546791.db2.gz IUVAVILXLFFPFL-QWFCFKBJSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245945982 1433548822 /nfs/dbraw/zinc/54/88/22/1433548822.db2.gz NVEFXRXRTFUFDA-QRVBRYPASA-N 2 0 387.572 3.027 20 0 GGADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@@H](C)O1 ZINC000245975012 1433552519 /nfs/dbraw/zinc/55/25/19/1433552519.db2.gz ONSWQLHDMRDKHH-NCXUSEDFSA-N 2 0 383.577 3.111 20 0 GGADRP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)n2)cc1 ZINC000245984937 1433553360 /nfs/dbraw/zinc/55/33/60/1433553360.db2.gz WCMPYUVFRGTTGA-CVEARBPZSA-N 2 0 381.480 3.494 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246045200 1433561222 /nfs/dbraw/zinc/56/12/22/1433561222.db2.gz XOAMDMSSESIUKL-NSHGMRRFSA-N 2 0 395.588 3.255 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1N(C)C ZINC000246093547 1433567661 /nfs/dbraw/zinc/56/76/61/1433567661.db2.gz IUSGZDIQJOFJTQ-WIYYLYMNSA-N 2 0 394.563 3.301 20 0 GGADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000246148684 1433574916 /nfs/dbraw/zinc/57/49/16/1433574916.db2.gz KAWFHBNQZQASNK-WBVHZDCISA-N 2 0 382.499 3.083 20 0 GGADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000246182680 1433579005 /nfs/dbraw/zinc/57/90/05/1433579005.db2.gz HJPSXTBIHDFVHK-OXJNMPFZSA-N 2 0 392.975 3.286 20 0 GGADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246218833 1433583090 /nfs/dbraw/zinc/58/30/90/1433583090.db2.gz GNUPHQLZHJVNTE-BWAGFHJFSA-N 2 0 382.552 3.078 20 0 GGADRP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000246234590 1433584905 /nfs/dbraw/zinc/58/49/05/1433584905.db2.gz ICRQSLNIWHNTGA-AYBZRNKSSA-N 2 0 397.485 3.422 20 0 GGADRP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246294864 1433591069 /nfs/dbraw/zinc/59/10/69/1433591069.db2.gz CQGDZTPDFOGFBP-BULFRSBZSA-N 2 0 376.541 3.130 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246316697 1433593917 /nfs/dbraw/zinc/59/39/17/1433593917.db2.gz NUZOLTJLQHXJII-RTBURBONSA-N 2 0 376.545 3.180 20 0 GGADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000246320492 1433594505 /nfs/dbraw/zinc/59/45/05/1433594505.db2.gz GVJSKQOQIYWALT-VQTJNVASSA-N 2 0 378.605 3.403 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246323792 1433594870 /nfs/dbraw/zinc/59/48/70/1433594870.db2.gz HFCYWTSWALHWAU-PWRODBHTSA-N 2 0 378.605 3.403 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000246324771 1433595201 /nfs/dbraw/zinc/59/52/01/1433595201.db2.gz NFKOUIQCZAEYKK-WOIUINJBSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000246327230 1433595574 /nfs/dbraw/zinc/59/55/74/1433595574.db2.gz HPQYKVVMDPSWCF-MOPGFXCFSA-N 2 0 386.540 3.311 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246340314 1433597480 /nfs/dbraw/zinc/59/74/80/1433597480.db2.gz HXFDJXJRQFATKN-PABCKOPISA-N 2 0 398.595 3.413 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246364050 1433601055 /nfs/dbraw/zinc/60/10/55/1433601055.db2.gz KNEUPJHIHQLRQB-ZJOUEHCJSA-N 2 0 386.584 3.126 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246372415 1433602311 /nfs/dbraw/zinc/60/23/11/1433602311.db2.gz HRGQRJRNNBWUMG-YLJYHZDGSA-N 2 0 378.536 3.096 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246393121 1433605761 /nfs/dbraw/zinc/60/57/61/1433605761.db2.gz CLQPLYGOMNDZOB-HJNYFJLDSA-N 2 0 386.584 3.413 20 0 GGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246398606 1433606942 /nfs/dbraw/zinc/60/69/42/1433606942.db2.gz JXSCVAJKBJFJQT-XJUOHMSHSA-N 2 0 381.564 3.374 20 0 GGADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246398595 1433607024 /nfs/dbraw/zinc/60/70/24/1433607024.db2.gz JXSCVAJKBJFJQT-QZNHQXDQSA-N 2 0 381.564 3.374 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246400289 1433607421 /nfs/dbraw/zinc/60/74/21/1433607421.db2.gz PXXJQCUFDSKHGW-SVFBPWRDSA-N 2 0 376.589 3.157 20 0 GGADRP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246402954 1433607562 /nfs/dbraw/zinc/60/75/62/1433607562.db2.gz LWLNBCJXNNEANW-BBTUJRGHSA-N 2 0 375.557 3.363 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246403791 1433608039 /nfs/dbraw/zinc/60/80/39/1433608039.db2.gz LMZNQBXFSGYLTO-NJDAHSKKSA-N 2 0 378.605 3.260 20 0 GGADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000246420901 1433609896 /nfs/dbraw/zinc/60/98/96/1433609896.db2.gz SDLBTVBRLIURFW-VAMGGRTRSA-N 2 0 387.568 3.075 20 0 GGADRP Cc1ccc(CN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433028 1433612121 /nfs/dbraw/zinc/61/21/21/1433612121.db2.gz CSEVMELWRZTZSF-NZQKXSOJSA-N 2 0 381.564 3.435 20 0 GGADRP c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246441757 1433613655 /nfs/dbraw/zinc/61/36/55/1433613655.db2.gz DGAGIQABMHPXAM-UNMCSNQZSA-N 2 0 394.567 3.459 20 0 GGADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246463990 1433616524 /nfs/dbraw/zinc/61/65/24/1433616524.db2.gz PLOXKBGGDZDHIP-UNMCSNQZSA-N 2 0 384.568 3.297 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246513386 1433623814 /nfs/dbraw/zinc/62/38/14/1433623814.db2.gz UFJIKSGWEUCPGP-SVFBPWRDSA-N 2 0 376.589 3.013 20 0 GGADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246531563 1433626212 /nfs/dbraw/zinc/62/62/12/1433626212.db2.gz VIXWHEDKERUVPB-OFAXGOBFSA-N 3 0 389.584 3.046 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246542317 1433627887 /nfs/dbraw/zinc/62/78/87/1433627887.db2.gz WNKWDMDQQGUSND-VQTJNVASSA-N 2 0 390.572 3.474 20 0 GGADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246542582 1433628651 /nfs/dbraw/zinc/62/86/51/1433628651.db2.gz JYCPHTHWAFMFGY-NAMDQGSHSA-N 2 0 384.564 3.390 20 0 GGADRP CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246546065 1433628836 /nfs/dbraw/zinc/62/88/36/1433628836.db2.gz KEDPHPVZERCBKK-WIYYLYMNSA-N 2 0 389.609 3.373 20 0 GGADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246572781 1433633366 /nfs/dbraw/zinc/63/33/66/1433633366.db2.gz STNZSXQEGHTJMS-BAGYTPMASA-N 2 0 384.568 3.167 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000246579689 1433634448 /nfs/dbraw/zinc/63/44/48/1433634448.db2.gz ZSEVEIKWXIPEFS-RBBKRZOGSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000246639237 1433643614 /nfs/dbraw/zinc/64/36/14/1433643614.db2.gz YBRQWPFDPFOMPD-AFULGHPHSA-N 2 0 384.568 3.067 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC[C@@H]21 ZINC000246710679 1433653690 /nfs/dbraw/zinc/65/36/90/1433653690.db2.gz FFDYWEHTGVGFNE-FGTMMUONSA-N 2 0 376.570 3.011 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246719528 1433655026 /nfs/dbraw/zinc/65/50/26/1433655026.db2.gz UZEYEZJZCSSYAY-YOUFYPILSA-N 2 0 376.589 3.013 20 0 GGADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246747194 1433659397 /nfs/dbraw/zinc/65/93/97/1433659397.db2.gz AXWDNDBBCYFFGM-CMKODMSKSA-N 2 0 388.556 3.244 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246757466 1433661374 /nfs/dbraw/zinc/66/13/74/1433661374.db2.gz XWKUUIDGOHPDMG-IOMROCGXSA-N 2 0 388.531 3.087 20 0 GGADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000246803240 1433669704 /nfs/dbraw/zinc/66/97/04/1433669704.db2.gz MYCJKPSOONNQGZ-GCJKJVERSA-N 2 0 380.536 3.416 20 0 GGADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000246803250 1433669833 /nfs/dbraw/zinc/66/98/33/1433669833.db2.gz MYCJKPSOONNQGZ-XMSQKQJNSA-N 2 0 380.536 3.416 20 0 GGADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246872704 1433680893 /nfs/dbraw/zinc/68/08/93/1433680893.db2.gz DARYLRMTUZYZGI-QXAKKESOSA-N 2 0 381.586 3.241 20 0 GGADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH+](Cc4cccs4)C3)CC[C@H]21 ZINC000246894979 1433684059 /nfs/dbraw/zinc/68/40/59/1433684059.db2.gz MDJNCUSCWVZLBW-NLWGTHIKSA-N 2 0 390.597 3.086 20 0 GGADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000246910026 1433686515 /nfs/dbraw/zinc/68/65/15/1433686515.db2.gz FVLSHXWQUBBSSB-FGTMMUONSA-N 2 0 375.513 3.183 20 0 GGADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000246910056 1433686541 /nfs/dbraw/zinc/68/65/41/1433686541.db2.gz FVLSHXWQUBBSSB-KZNAEPCWSA-N 2 0 375.513 3.183 20 0 GGADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 ZINC000247210449 1433691478 /nfs/dbraw/zinc/69/14/78/1433691478.db2.gz WXBQYRNEVNYWCF-MSOLQXFVSA-N 2 0 381.586 3.100 20 0 GGADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000247227993 1433692908 /nfs/dbraw/zinc/69/29/08/1433692908.db2.gz YBIOCPUUIMHXOY-ZZLYJBIYSA-N 2 0 399.604 3.453 20 0 GGADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236349 1433694563 /nfs/dbraw/zinc/69/45/63/1433694563.db2.gz YUDHCMFHWKPOFC-UYAOXDASSA-N 2 0 382.552 3.165 20 0 GGADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000247260025 1433697455 /nfs/dbraw/zinc/69/74/55/1433697455.db2.gz RPIGETCCQNBPMJ-YTQUADARSA-N 2 0 378.586 3.257 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000247261915 1433697964 /nfs/dbraw/zinc/69/79/64/1433697964.db2.gz XDFKEFGJDTUSDQ-VAMGGRTRSA-N 2 0 386.584 3.306 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247261905 1433698184 /nfs/dbraw/zinc/69/81/84/1433698184.db2.gz XDFKEFGJDTUSDQ-HSALFYBXSA-N 2 0 386.584 3.306 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000247271978 1433698517 /nfs/dbraw/zinc/69/85/17/1433698517.db2.gz RGZAAEOFNNGMJX-FXAWDEMLSA-N 2 0 376.545 3.007 20 0 GGADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247292507 1433701175 /nfs/dbraw/zinc/70/11/75/1433701175.db2.gz UNAPDHMOCNOJBK-IFMALSPDSA-N 2 0 386.584 3.413 20 0 GGADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000247328384 1433707043 /nfs/dbraw/zinc/70/70/43/1433707043.db2.gz MFWNNXADTDSKAD-RBBKRZOGSA-N 2 0 386.584 3.443 20 0 GGADRP C[NH+]1CCC[C@H]2C[NH+](CCCCCC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000247348771 1433711023 /nfs/dbraw/zinc/71/10/23/1433711023.db2.gz YAFGOAGETMJLIC-NVPYSNMXSA-N 4 0 390.660 3.379 20 0 GGADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247496575 1433730063 /nfs/dbraw/zinc/73/00/63/1433730063.db2.gz WTRGGQBTJAJDIX-FGZHOGPDSA-N 2 0 386.584 3.414 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000247519388 1433732426 /nfs/dbraw/zinc/73/24/26/1433732426.db2.gz ZYZSIBKXAHZHKZ-NQIIRXRSSA-N 2 0 395.551 3.080 20 0 GGADRP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)cc1 ZINC000247516357 1433732618 /nfs/dbraw/zinc/73/26/18/1433732618.db2.gz WIFRYPABMYXVDI-TUACAJSNSA-N 2 0 382.548 3.345 20 0 GGADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000247523706 1433732915 /nfs/dbraw/zinc/73/29/15/1433732915.db2.gz ZHBRPRWXHFPQSG-IFMALSPDSA-N 2 0 386.584 3.270 20 0 GGADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000247525813 1433733412 /nfs/dbraw/zinc/73/34/12/1433733412.db2.gz ZKOIXJCUXXMRDI-FCHUYYIVSA-N 2 0 386.584 3.128 20 0 GGADRP C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247645316 1433742632 /nfs/dbraw/zinc/74/26/32/1433742632.db2.gz WAPPYKSCFQVZSH-NHCUHLMSSA-N 2 0 393.531 3.362 20 0 GGADRP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C[NH+]1CCCC1 ZINC000247883444 1433755091 /nfs/dbraw/zinc/75/50/91/1433755091.db2.gz CGVKUTLCZZJFJX-VQTJNVASSA-N 2 0 378.605 3.404 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247891890 1433755430 /nfs/dbraw/zinc/75/54/30/1433755430.db2.gz FODIKUCJCJSHEE-UYAOXDASSA-N 2 0 376.589 3.157 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000247929064 1433757108 /nfs/dbraw/zinc/75/71/08/1433757108.db2.gz BWBZWDGXLVGXRQ-VSKRKVRLSA-N 2 0 384.568 3.024 20 0 GGADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(Cl)cc1 ZINC000247968037 1433759888 /nfs/dbraw/zinc/75/98/88/1433759888.db2.gz HAJXSZQTXPGALU-KXBFYZLASA-N 2 0 391.947 3.117 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4C3)c2)C1 ZINC000247974830 1433760401 /nfs/dbraw/zinc/76/04/01/1433760401.db2.gz HSCVGEZPDFUTKZ-PKTZIBPZSA-N 2 0 377.532 3.031 20 0 GGADRP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247979694 1433761234 /nfs/dbraw/zinc/76/12/34/1433761234.db2.gz MDYSGKCQKUTEOS-CEXWTWQISA-N 2 0 377.573 3.165 20 0 GGADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010063 1433763009 /nfs/dbraw/zinc/76/30/09/1433763009.db2.gz LEXPZHGVMGDJJZ-NFBKMPQASA-N 2 0 393.531 3.170 20 0 GGADRP C[C@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[N@@H+]1C1CC1 ZINC000248035655 1433764998 /nfs/dbraw/zinc/76/49/98/1433764998.db2.gz RLRFSHKJOPMZBW-HBFSDRIKSA-N 2 0 376.589 3.298 20 0 GGADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CC[C@@H]21 ZINC000248070129 1433767286 /nfs/dbraw/zinc/76/72/86/1433767286.db2.gz MNRQHQKEMLIPTP-ICSRJNTNSA-N 2 0 375.532 3.369 20 0 GGADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248065400 1433767400 /nfs/dbraw/zinc/76/74/00/1433767400.db2.gz ZJPFYOWEFPCILA-UGKGYDQZSA-N 2 0 393.616 3.283 20 0 GGADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248134545 1433772551 /nfs/dbraw/zinc/77/25/51/1433772551.db2.gz OWUPRJLWGSVILJ-QNWVGRARSA-N 2 0 396.579 3.167 20 0 GGADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137791 1433773227 /nfs/dbraw/zinc/77/32/27/1433773227.db2.gz PFYBIDBZJXSQDT-FYYLOGMGSA-N 2 0 377.532 3.469 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000248175071 1433777917 /nfs/dbraw/zinc/77/79/17/1433777917.db2.gz VLZGKGXVUUMCKF-ZLNRFVROSA-N 2 0 398.595 3.414 20 0 GGADRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000248179724 1433778125 /nfs/dbraw/zinc/77/81/25/1433778125.db2.gz XTEZLAOGMPMVBA-NHCUHLMSSA-N 2 0 375.557 3.459 20 0 GGADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)cc2)CC1 ZINC000248331796 1433786509 /nfs/dbraw/zinc/78/65/09/1433786509.db2.gz FBMNFEZSMKMBIX-IBGZPJMESA-N 2 0 384.568 3.422 20 0 GGADRP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390695 1433793859 /nfs/dbraw/zinc/79/38/59/1433793859.db2.gz BRESNHLXKXOMQT-DJPFJPOOSA-N 2 0 390.547 3.381 20 0 GGADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000248392129 1433793948 /nfs/dbraw/zinc/79/39/48/1433793948.db2.gz VQOWABWEHKAOTM-MSOLQXFVSA-N 2 0 389.540 3.148 20 0 GGADRP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396082 1433795310 /nfs/dbraw/zinc/79/53/10/1433795310.db2.gz GVTVUHWCONFDNA-ZJOUEHCJSA-N 2 0 376.589 3.299 20 0 GGADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248397555 1433796184 /nfs/dbraw/zinc/79/61/84/1433796184.db2.gz IAAHUWHAGNLQBV-VAMGGRTRSA-N 2 0 378.605 3.451 20 0 GGADRP OCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408324 1433800123 /nfs/dbraw/zinc/80/01/23/1433800123.db2.gz VKBXVYYEZYCPIP-XPWALMASSA-N 2 0 380.532 3.448 20 0 GGADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409065 1433800152 /nfs/dbraw/zinc/80/01/52/1433800152.db2.gz WHOLOVCTEIMLEQ-IEIRFRATSA-N 2 0 395.522 3.446 20 0 GGADRP OCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408326 1433800212 /nfs/dbraw/zinc/80/02/12/1433800212.db2.gz VKBXVYYEZYCPIP-YTFSRNRJSA-N 2 0 380.532 3.448 20 0 GGADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000248410731 1433800449 /nfs/dbraw/zinc/80/04/49/1433800449.db2.gz HKUTYWOWULCPFN-LXCVFVNYSA-N 3 0 385.596 3.376 20 0 GGADRP CO[C@]1(C)C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC000248417682 1433801065 /nfs/dbraw/zinc/80/10/65/1433801065.db2.gz JSMLUQMHMHVNHK-YHDSQAASSA-N 2 0 396.616 3.274 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430239 1433802010 /nfs/dbraw/zinc/80/20/10/1433802010.db2.gz BNJZKCNXLAWCRQ-LAUBAEHRSA-N 2 0 382.504 3.265 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000248430383 1433802055 /nfs/dbraw/zinc/80/20/55/1433802055.db2.gz BRWLWVHTOQOPDS-SJQPRBQBSA-N 2 0 386.561 3.232 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434746 1433802458 /nfs/dbraw/zinc/80/24/58/1433802458.db2.gz FABYBWMPPPVITK-AUSIDOKSSA-N 3 0 397.563 3.044 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457832 1433804215 /nfs/dbraw/zinc/80/42/15/1433804215.db2.gz UFVXPSDFHMNDCV-WZONZLPQSA-N 2 0 393.531 3.231 20 0 GGADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248456665 1433804281 /nfs/dbraw/zinc/80/42/81/1433804281.db2.gz SKJFNDSGNOFIDQ-SBUREZEXSA-N 2 0 381.520 3.453 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457830 1433804327 /nfs/dbraw/zinc/80/43/27/1433804327.db2.gz UFVXPSDFHMNDCV-FDDCHVKYSA-N 2 0 393.531 3.231 20 0 GGADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc2ccccc2n1C ZINC000248462746 1433804921 /nfs/dbraw/zinc/80/49/21/1433804921.db2.gz YMAJKVLTQUTUBB-XLIONFOSSA-N 2 0 378.520 3.381 20 0 GGADRP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248471015 1433805242 /nfs/dbraw/zinc/80/52/42/1433805242.db2.gz VMQMKTVBIYIECV-VDZJLULYSA-N 2 0 398.469 3.394 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248487896 1433805653 /nfs/dbraw/zinc/80/56/53/1433805653.db2.gz GJIBBEVWCVZSII-HLAWJBBLSA-N 2 0 396.597 3.026 20 0 GGADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248487898 1433805666 /nfs/dbraw/zinc/80/56/66/1433805666.db2.gz GJIBBEVWCVZSII-HMXCVIKNSA-N 2 0 396.597 3.026 20 0 GGADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000248549405 1433807835 /nfs/dbraw/zinc/80/78/35/1433807835.db2.gz FYDFOTOHFTWOOG-IRFCIJBXSA-N 2 0 384.568 3.257 20 0 GGADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248568691 1433808851 /nfs/dbraw/zinc/80/88/51/1433808851.db2.gz LNUBQHIOKIPYPD-CMKODMSKSA-N 2 0 376.541 3.068 20 0 GGADRP Cc1cccc(OCCNC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248595490 1433810188 /nfs/dbraw/zinc/81/01/88/1433810188.db2.gz SQLBZNULBPBDNJ-UFYCRDLUSA-N 2 0 387.568 3.121 20 0 GGADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248690633 1433815554 /nfs/dbraw/zinc/81/55/54/1433815554.db2.gz AULGVFAICONKBE-AQNXPRMDSA-N 2 0 397.604 3.359 20 0 GGADRP C[C@@H]1C[C@H](N[C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000248727703 1433818150 /nfs/dbraw/zinc/81/81/50/1433818150.db2.gz LKSDCMGEQHNVEI-MAODMQOUSA-N 2 0 385.939 3.379 20 0 GGADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000248734424 1433818476 /nfs/dbraw/zinc/81/84/76/1433818476.db2.gz PLONXNJIZJWFJR-ZVZYQTTQSA-N 2 0 383.458 3.126 20 0 GGADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248737558 1433818727 /nfs/dbraw/zinc/81/87/27/1433818727.db2.gz LFOYFOSPHLWISN-IFMALSPDSA-N 2 0 386.584 3.320 20 0 GGADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248750036 1433819971 /nfs/dbraw/zinc/81/99/71/1433819971.db2.gz OKDKZKJFRLAZDV-FCHUYYIVSA-N 2 0 384.568 3.168 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770477 1433821595 /nfs/dbraw/zinc/82/15/95/1433821595.db2.gz XZHFBWIJJYYLOB-QYZOEREBSA-N 2 0 383.577 3.111 20 0 GGADRP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1C(F)(F)F ZINC000248773568 1433821750 /nfs/dbraw/zinc/82/17/50/1433821750.db2.gz YKSNBGJCLBUYRV-ULQDDVLXSA-N 2 0 381.442 3.023 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248788240 1433822703 /nfs/dbraw/zinc/82/27/03/1433822703.db2.gz CYTLLUSBFLXWBC-GMKZXUHWSA-N 2 0 389.543 3.185 20 0 GGADRP COCCN(C)c1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000248819930 1433823908 /nfs/dbraw/zinc/82/39/08/1433823908.db2.gz FLOIQZLXHSTADZ-JOCHJYFZSA-N 2 0 382.552 3.118 20 0 GGADRP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1F ZINC000248879972 1433827352 /nfs/dbraw/zinc/82/73/52/1433827352.db2.gz NXIGZQYCPWFJRS-ORYQWCPZSA-N 2 0 378.532 3.370 20 0 GGADRP O=C1c2ccccc2CCN1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884410 1433827647 /nfs/dbraw/zinc/82/76/47/1433827647.db2.gz LQEYWDICFKEMTK-NUNAXRQHSA-N 2 0 389.543 3.470 20 0 GGADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000248896598 1433828476 /nfs/dbraw/zinc/82/84/76/1433828476.db2.gz VKMHNCGGWSUGEH-DYESRHJHSA-N 2 0 386.511 3.369 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248945948 1433830146 /nfs/dbraw/zinc/83/01/46/1433830146.db2.gz DLAKMBDRHVTVPS-XQTRSNPVSA-N 2 0 383.492 3.374 20 0 GGADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249013740 1433832168 /nfs/dbraw/zinc/83/21/68/1433832168.db2.gz PCLYHVPACWTUNX-FDFHNCONSA-N 2 0 386.584 3.269 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278072 1433840135 /nfs/dbraw/zinc/84/01/35/1433840135.db2.gz LSFVLWSROATTSI-PMACEKPBSA-N 2 0 396.620 3.028 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278076 1433840182 /nfs/dbraw/zinc/84/01/82/1433840182.db2.gz LSFVLWSROATTSI-VQTJNVASSA-N 2 0 396.620 3.028 20 0 GGADRP COc1ccccc1[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000249284032 1433840428 /nfs/dbraw/zinc/84/04/28/1433840428.db2.gz HPDUNJFCNPXWHT-SFTDATJTSA-N 2 0 381.520 3.251 20 0 GGADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287379 1433840541 /nfs/dbraw/zinc/84/05/41/1433840541.db2.gz OQJHEZMUAMZWSG-NHCUHLMSSA-N 2 0 377.573 3.364 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420349 1433843431 /nfs/dbraw/zinc/84/34/31/1433843431.db2.gz HLANWLZFZTXJSI-FFZOFVMBSA-N 2 0 393.959 3.172 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000249437354 1433843918 /nfs/dbraw/zinc/84/39/18/1433843918.db2.gz SKXVMCUTQCSJMB-QFBILLFUSA-N 2 0 388.508 3.446 20 0 GGADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000249746547 1433850856 /nfs/dbraw/zinc/85/08/56/1433850856.db2.gz MWYCOEUZXJHUOX-DENIHFKCSA-N 2 0 386.584 3.450 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CCS(=O)(=O)CC1 ZINC000250067444 1433854150 /nfs/dbraw/zinc/85/41/50/1433854150.db2.gz NQJMXZRYXZIVTN-ZWKOTPCHSA-N 2 0 378.582 3.364 20 0 GGADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250286167 1433855669 /nfs/dbraw/zinc/85/56/69/1433855669.db2.gz KZJOGOLZKWKSDQ-FGZHOGPDSA-N 2 0 390.568 3.017 20 0 GGADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000250479954 1433856281 /nfs/dbraw/zinc/85/62/81/1433856281.db2.gz BREFJFJZYVWGHK-ZWKOTPCHSA-N 2 0 378.586 3.305 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000252651976 1433863794 /nfs/dbraw/zinc/86/37/94/1433863794.db2.gz WTYCWUTVORDHEO-DXIQSLLYSA-N 2 0 386.584 3.400 20 0 GGADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000252651977 1433863888 /nfs/dbraw/zinc/86/38/88/1433863888.db2.gz WTYCWUTVORDHEO-KNKQGSTJSA-N 2 0 386.584 3.400 20 0 GGADRP COc1ccc([C@H](NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692406 1433864229 /nfs/dbraw/zinc/86/42/29/1433864229.db2.gz BHHANLJUAWWODG-WNOPAQSVSA-N 2 0 399.579 3.457 20 0 GGADRP C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000253620071 1433870721 /nfs/dbraw/zinc/87/07/21/1433870721.db2.gz WXBUZTRPUSQWSW-BRWVUGGUSA-N 2 0 384.524 3.218 20 0 GGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000255504854 1433883830 /nfs/dbraw/zinc/88/38/30/1433883830.db2.gz AQZSZWMHTZMWCK-VWPQPMDRSA-N 2 0 388.600 3.217 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000255770485 1433889526 /nfs/dbraw/zinc/88/95/26/1433889526.db2.gz JUSCBGLZEUGMNO-RTBURBONSA-N 2 0 376.545 3.370 20 0 GGADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261850969 1433907215 /nfs/dbraw/zinc/90/72/15/1433907215.db2.gz VJRCCOIQOOUKDY-XPWALMASSA-N 2 0 377.532 3.415 20 0 GGADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261868300 1433908368 /nfs/dbraw/zinc/90/83/68/1433908368.db2.gz XAMZWVAACLSSGZ-MJGOQNOKSA-N 2 0 377.488 3.309 20 0 GGADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000261868289 1433908415 /nfs/dbraw/zinc/90/84/15/1433908415.db2.gz WZZRKEMSCJEXQQ-WBVHZDCISA-N 2 0 375.875 3.482 20 0 GGADRP CCOc1c(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261960177 1433916240 /nfs/dbraw/zinc/91/62/40/1433916240.db2.gz HDKYVQLDDVTBDD-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261981100 1433919307 /nfs/dbraw/zinc/91/93/07/1433919307.db2.gz RIRWOMXKOBDWFA-CRAIPNDOSA-N 2 0 383.458 3.094 20 0 GGADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000261996065 1433920772 /nfs/dbraw/zinc/92/07/72/1433920772.db2.gz NUOTYGMSKWGCLF-UHFFFAOYSA-N 2 0 386.309 3.238 20 0 GGADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000262023893 1433922606 /nfs/dbraw/zinc/92/26/06/1433922606.db2.gz YVPZFNNVNCKPNS-KRWDZBQOSA-N 2 0 385.430 3.012 20 0 GGADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1Oc1cccnc1 ZINC000262043245 1433924120 /nfs/dbraw/zinc/92/41/20/1433924120.db2.gz PJPFURHKKWPUPP-LJQANCHMSA-N 2 0 382.508 3.002 20 0 GGADRP O=C(Nc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1)c1ccccc1Cl ZINC000262068735 1433925648 /nfs/dbraw/zinc/92/56/48/1433925648.db2.gz BTVSKCLWXVKJQV-IBGZPJMESA-N 2 0 398.938 3.072 20 0 GGADRP c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262074358 1433926137 /nfs/dbraw/zinc/92/61/37/1433926137.db2.gz CWCDUFCFJKACBL-HXUWFJFHSA-N 2 0 393.560 3.080 20 0 GGADRP Clc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262102387 1433926923 /nfs/dbraw/zinc/92/69/23/1433926923.db2.gz IWXQHHMRAARAAA-FQEVSTJZSA-N 2 0 385.939 3.399 20 0 GGADRP CCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(Br)c1OC ZINC000262112432 1433927668 /nfs/dbraw/zinc/92/76/68/1433927668.db2.gz WOXWBFZSAOUTCA-UHFFFAOYSA-N 2 0 383.330 3.432 20 0 GGADRP Cn1ccnc1COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000262164329 1433929108 /nfs/dbraw/zinc/92/91/08/1433929108.db2.gz HFKDGUJHVPVLCN-IRLDBZIGSA-N 2 0 376.504 3.173 20 0 GGADRP CC(C)c1oc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000262223936 1433931446 /nfs/dbraw/zinc/93/14/46/1433931446.db2.gz UTGJOCNJDJBCGB-IBGZPJMESA-N 2 0 396.535 3.424 20 0 GGADRP C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@@H]1c1cccs1 ZINC000262278902 1433933437 /nfs/dbraw/zinc/93/34/37/1433933437.db2.gz LKVKYBCCTMAVKH-UADOYNRMSA-N 2 0 375.582 3.401 20 0 GGADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262309754 1433934258 /nfs/dbraw/zinc/93/42/58/1433934258.db2.gz AGMJPLQYKBITIK-HZPDHXFCSA-N 2 0 386.565 3.052 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262320642 1433934979 /nfs/dbraw/zinc/93/49/79/1433934979.db2.gz FFTNTYPRSPJFHT-HURAVPBCSA-N 2 0 383.580 3.413 20 0 GGADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000262331597 1433935397 /nfs/dbraw/zinc/93/53/97/1433935397.db2.gz GTEOAQROYDJOHW-JOCHJYFZSA-N 2 0 381.520 3.024 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262340769 1433935587 /nfs/dbraw/zinc/93/55/87/1433935587.db2.gz STKFXJQTNWKXGT-ZVXXOIICSA-N 2 0 379.495 3.009 20 0 GGADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262400891 1433937830 /nfs/dbraw/zinc/93/78/30/1433937830.db2.gz ZSERRSUECMTRLY-HLVUACMISA-N 2 0 379.495 3.009 20 0 GGADRP C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000262438604 1433939213 /nfs/dbraw/zinc/93/92/13/1433939213.db2.gz UQSYHTNFHOHQLE-KNQAVFIVSA-N 2 0 380.536 3.073 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC[NH3+])Cc3ccccc3)cc2)CC1 ZINC000262447588 1433939711 /nfs/dbraw/zinc/93/97/11/1433939711.db2.gz JBNOCPQPHCLRQM-UHFFFAOYSA-N 2 0 394.563 3.208 20 0 GGADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC3(C[NH3+])CCCCC3)cc2)C[C@H](C)O1 ZINC000262609852 1433946122 /nfs/dbraw/zinc/94/61/22/1433946122.db2.gz ANNGVRZUNDTHDN-KDURUIRLSA-N 2 0 387.568 3.211 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000262651700 1433947730 /nfs/dbraw/zinc/94/77/30/1433947730.db2.gz RLNPRQAZTLGLIH-AGHHOFFYSA-N 2 0 381.520 3.284 20 0 GGADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000262652770 1433948226 /nfs/dbraw/zinc/94/82/26/1433948226.db2.gz YPFYULLFKARISZ-WDYCEAGBSA-N 2 0 383.458 3.027 20 0 GGADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000262677114 1433949232 /nfs/dbraw/zinc/94/92/32/1433949232.db2.gz TZCDUIYCGCKEIY-LAUBAEHRSA-N 2 0 396.535 3.033 20 0 GGADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262697282 1433950506 /nfs/dbraw/zinc/95/05/06/1433950506.db2.gz XXYWVJDPOXBZSS-KDURUIRLSA-N 2 0 379.589 3.024 20 0 GGADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000262705739 1433951156 /nfs/dbraw/zinc/95/11/56/1433951156.db2.gz LXLQMADGAFKYDX-XMMPIXPASA-N 2 0 394.563 3.460 20 0 GGADRP C[C@@H]([NH2+]C1(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCCC1)c1ccccc1 ZINC000262740927 1433953335 /nfs/dbraw/zinc/95/33/35/1433953335.db2.gz JGZGCLZRBQZKMD-QUCCMNQESA-N 2 0 395.551 3.201 20 0 GGADRP CC1CC[NH+]([C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747927 1433953619 /nfs/dbraw/zinc/95/36/19/1433953619.db2.gz KBEBYAVHQYFFGW-IFMALSPDSA-N 2 0 395.551 3.011 20 0 GGADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262767075 1433954884 /nfs/dbraw/zinc/95/48/84/1433954884.db2.gz LZEWNVNKMGEXOX-NRFANRHFSA-N 2 0 397.567 3.360 20 0 GGADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771796 1433955148 /nfs/dbraw/zinc/95/51/48/1433955148.db2.gz IABDAYXGHQHQKD-REWPJTCUSA-N 2 0 387.568 3.067 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1(C)C ZINC000262778825 1433955486 /nfs/dbraw/zinc/95/54/86/1433955486.db2.gz KEAGKFZBSZWHKH-OPYAIIAOSA-N 2 0 395.975 3.372 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1(C)C ZINC000262778827 1433955556 /nfs/dbraw/zinc/95/55/56/1433955556.db2.gz KEAGKFZBSZWHKH-UEXGIBASSA-N 2 0 395.975 3.372 20 0 GGADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262783951 1433955798 /nfs/dbraw/zinc/95/57/98/1433955798.db2.gz NQYMEUQAQCPKSQ-OAQYLSRUSA-N 2 0 395.551 3.114 20 0 GGADRP C[C@@]([NH3+])(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000262788341 1433956272 /nfs/dbraw/zinc/95/62/72/1433956272.db2.gz NJEAPMRPAJPOLO-DEOSSOPVSA-N 2 0 395.547 3.048 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262803857 1433957443 /nfs/dbraw/zinc/95/74/43/1433957443.db2.gz SAPYRPDGOSMYBM-CDXJDZJCSA-N 2 0 393.597 3.170 20 0 GGADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)C1(C)C ZINC000262815913 1433958023 /nfs/dbraw/zinc/95/80/23/1433958023.db2.gz WMWWJSYRRYWBRH-GHTZIAJQSA-N 2 0 391.581 3.015 20 0 GGADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812397 1433958083 /nfs/dbraw/zinc/95/80/83/1433958083.db2.gz VMFWESLMBLARIF-GWJPWWOOSA-N 2 0 387.568 3.299 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818698 1433958632 /nfs/dbraw/zinc/95/86/32/1433958632.db2.gz XNWDYUHYYWOLLE-XTQVGHSUSA-N 2 0 387.568 3.210 20 0 GGADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1(C)C ZINC000262825264 1433959507 /nfs/dbraw/zinc/95/95/07/1433959507.db2.gz ZLPJZHKYJARSQC-TXTKFYIRSA-N 2 0 387.568 3.108 20 0 GGADRP COc1ccc([C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000262824406 1433959519 /nfs/dbraw/zinc/95/95/19/1433959519.db2.gz XUISOPUKVAAANS-JTHBVZDNSA-N 2 0 381.520 3.213 20 0 GGADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262831930 1433959869 /nfs/dbraw/zinc/95/98/69/1433959869.db2.gz SCBKLYBLSUWIIS-HXUWFJFHSA-N 2 0 381.524 3.436 20 0 GGADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262856012 1433961771 /nfs/dbraw/zinc/96/17/71/1433961771.db2.gz VXFJWIVMTDOCHR-NRFANRHFSA-N 2 0 395.551 3.114 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)ccc1OC ZINC000262904788 1433965718 /nfs/dbraw/zinc/96/57/18/1433965718.db2.gz QASDCHPEXUAYBX-QFIPXVFZSA-N 2 0 385.508 3.228 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000263183224 1433992942 /nfs/dbraw/zinc/99/29/42/1433992942.db2.gz GZHGRKQGZPQODD-SIKLNZKXSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263197046 1433993754 /nfs/dbraw/zinc/99/37/54/1433993754.db2.gz INMAVMJMUQZGFQ-SCTDSRPQSA-N 2 0 383.458 3.304 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263197044 1433993976 /nfs/dbraw/zinc/99/39/76/1433993976.db2.gz INMAVMJMUQZGFQ-LNLFQRSKSA-N 2 0 383.458 3.304 20 0 GGADRP COc1ccccc1[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[NH+]1CCCC1 ZINC000263230993 1433997154 /nfs/dbraw/zinc/99/71/54/1433997154.db2.gz ICQDUDMMNPJBTL-WUIRAFKNSA-N 2 0 385.552 3.102 20 0 GGADRP C[C@H]1CCCN(Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276745 1434000143 /nfs/dbraw/zinc/00/01/43/1434000143.db2.gz YSXKXCYLVAQIKT-MQWKBWCOSA-N 2 0 376.570 3.467 20 0 GGADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1OC ZINC000263299176 1434000963 /nfs/dbraw/zinc/00/09/63/1434000963.db2.gz WVOQODWDBUNNBX-UWJYYQICSA-N 2 0 377.529 3.262 20 0 GGADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000263299065 1434000985 /nfs/dbraw/zinc/00/09/85/1434000985.db2.gz WUNDJBDFNODQTE-UGKGYDQZSA-N 2 0 386.540 3.347 20 0 GGADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000263307474 1434001329 /nfs/dbraw/zinc/00/13/29/1434001329.db2.gz YBKIFUHUSJKTJC-SIKLNZKXSA-N 2 0 386.540 3.347 20 0 GGADRP c1cncc(COc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)c1 ZINC000263909087 1434047923 /nfs/dbraw/zinc/04/79/23/1434047923.db2.gz JQEUUVPCMMEUBB-UHFFFAOYSA-N 2 0 381.520 3.205 20 0 GGADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264144838 1434075582 /nfs/dbraw/zinc/07/55/82/1434075582.db2.gz GUAKJBKBDAHYGE-UHFFFAOYSA-N 2 0 378.520 3.072 20 0 GGADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000264849909 1434159387 /nfs/dbraw/zinc/15/93/87/1434159387.db2.gz BVMYIRPFNACYOZ-UHFFFAOYSA-N 2 0 384.524 3.220 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000265253587 1434208035 /nfs/dbraw/zinc/20/80/35/1434208035.db2.gz KSZXVJTYPLRYEY-UGKGYDQZSA-N 2 0 387.568 3.149 20 0 GGADRP CCCOc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1OC ZINC000265619434 1434250957 /nfs/dbraw/zinc/25/09/57/1434250957.db2.gz POXFCMCMSRBUDW-UHFFFAOYSA-N 2 0 399.535 3.065 20 0 GGADRP C[NH+](C)C/C=C/C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000265641059 1434252555 /nfs/dbraw/zinc/25/25/55/1434252555.db2.gz LZKINCYXFYZXTR-VMPITWQZSA-N 2 0 383.458 3.246 20 0 GGADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000265821454 1434268374 /nfs/dbraw/zinc/26/83/74/1434268374.db2.gz AYSZGOYOAJSJKN-UHFFFAOYSA-N 2 0 397.350 3.093 20 0 GGADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266009495 1434295950 /nfs/dbraw/zinc/29/59/50/1434295950.db2.gz LORKQGQBSYTFKI-FQEVSTJZSA-N 2 0 399.579 3.048 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000266302994 1434318123 /nfs/dbraw/zinc/31/81/23/1434318123.db2.gz KTOWLCJOMQDEIM-IBGZPJMESA-N 2 0 375.557 3.211 20 0 GGADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000266302997 1434318145 /nfs/dbraw/zinc/31/81/45/1434318145.db2.gz KTOWLCJOMQDEIM-LJQANCHMSA-N 2 0 375.557 3.211 20 0 GGADRP C[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000266813375 1434377944 /nfs/dbraw/zinc/37/79/44/1434377944.db2.gz IYBGNFWIGXQWGJ-UHFFFAOYSA-N 2 0 383.458 3.082 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267221934 1434414986 /nfs/dbraw/zinc/41/49/86/1434414986.db2.gz JFZBOLZBHVPJFF-RDPSFJRHSA-N 2 0 390.531 3.483 20 0 GGADRP C[NH+](C)CCCOC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000267263693 1434417797 /nfs/dbraw/zinc/41/77/97/1434417797.db2.gz OONKELZWFKUSRY-UHFFFAOYSA-N 2 0 387.524 3.067 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267325205 1434423073 /nfs/dbraw/zinc/42/30/73/1434423073.db2.gz DYQVKHSDNHDAIO-UGKGYDQZSA-N 2 0 386.584 3.413 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000267359331 1434425540 /nfs/dbraw/zinc/42/55/40/1434425540.db2.gz IZQNSTCFNCKSEZ-HJNYFJLDSA-N 2 0 384.568 3.024 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000267359328 1434425550 /nfs/dbraw/zinc/42/55/50/1434425550.db2.gz IZQNSTCFNCKSEZ-FCEUIQTBSA-N 2 0 384.568 3.024 20 0 GGADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000268066973 1434492436 /nfs/dbraw/zinc/49/24/36/1434492436.db2.gz BFBVHGFFLWKEGZ-UHFFFAOYSA-N 2 0 383.561 3.473 20 0 GGADRP CN(C)C(=O)c1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000268368209 1434516126 /nfs/dbraw/zinc/51/61/26/1434516126.db2.gz RCKNUCJDZQLNCN-UHFFFAOYSA-N 2 0 394.563 3.209 20 0 GGADRP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268746560 1434552597 /nfs/dbraw/zinc/55/25/97/1434552597.db2.gz HZXFNTKHFUUMPL-KKSFZXQISA-N 2 0 388.508 3.028 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268758557 1434553737 /nfs/dbraw/zinc/55/37/37/1434553737.db2.gz MJHRBUQKZIBNIN-IIBYNOLFSA-N 2 0 388.508 3.028 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000268767157 1434554648 /nfs/dbraw/zinc/55/46/48/1434554648.db2.gz OAKZBXNQXOYXPL-RXVVDRJESA-N 2 0 389.588 3.139 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268770512 1434555163 /nfs/dbraw/zinc/55/51/63/1434555163.db2.gz LNPWVLJEJQUFQB-IBGZPJMESA-N 2 0 383.536 3.314 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc(OCC[NH+](C)C)c1 ZINC000268771340 1434555381 /nfs/dbraw/zinc/55/53/81/1434555381.db2.gz PYAFAZJHILPTSP-SFHVURJKSA-N 2 0 379.508 3.118 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268789784 1434557733 /nfs/dbraw/zinc/55/77/33/1434557733.db2.gz CQEZHDDGOWUJQK-LJQANCHMSA-N 2 0 389.588 3.285 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268789783 1434557755 /nfs/dbraw/zinc/55/77/55/1434557755.db2.gz CQEZHDDGOWUJQK-IBGZPJMESA-N 2 0 389.588 3.285 20 0 GGADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000268815681 1434560473 /nfs/dbraw/zinc/56/04/73/1434560473.db2.gz FLRNAOBPJQMWCT-FQEVSTJZSA-N 2 0 399.535 3.236 20 0 GGADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000268815522 1434560615 /nfs/dbraw/zinc/56/06/15/1434560615.db2.gz FJHBJLJONLFYGS-QFIPXVFZSA-N 2 0 381.520 3.154 20 0 GGADRP C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268870698 1434566382 /nfs/dbraw/zinc/56/63/82/1434566382.db2.gz HJCAMHUBNCKODC-SFHVURJKSA-N 2 0 383.536 3.222 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000268901633 1434569129 /nfs/dbraw/zinc/56/91/29/1434569129.db2.gz LHYDZEQPRUQNBC-JQVVWYNYSA-N 2 0 378.557 3.499 20 0 GGADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000268901627 1434569153 /nfs/dbraw/zinc/56/91/53/1434569153.db2.gz LHYDZEQPRUQNBC-DXIQSLLYSA-N 2 0 378.557 3.499 20 0 GGADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000268907606 1434569894 /nfs/dbraw/zinc/56/98/94/1434569894.db2.gz SHAXHDNRGPBBEB-SFHVURJKSA-N 2 0 379.508 3.101 20 0 GGADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000268907604 1434570006 /nfs/dbraw/zinc/57/00/06/1434570006.db2.gz SHAXHDNRGPBBEB-GOSISDBHSA-N 2 0 379.508 3.101 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000268911086 1434570261 /nfs/dbraw/zinc/57/02/61/1434570261.db2.gz NAVKNKQMONZMCJ-KSFYIVLOSA-N 2 0 388.508 3.028 20 0 GGADRP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268960704 1434575848 /nfs/dbraw/zinc/57/58/48/1434575848.db2.gz XNFBBUNRYCFPIY-AOMKIAJQSA-N 2 0 388.508 3.028 20 0 GGADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(O)CC[NH+](C)CC3)s2)cc1 ZINC000268963825 1434576287 /nfs/dbraw/zinc/57/62/87/1434576287.db2.gz GGWXXTPJEPFDOT-AWEZNQCLSA-N 2 0 375.538 3.234 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000268972104 1434577009 /nfs/dbraw/zinc/57/70/09/1434577009.db2.gz ZPZOLTBBNIZDQF-XLIONFOSSA-N 2 0 376.545 3.104 20 0 GGADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCC3)cc1 ZINC000268998968 1434579929 /nfs/dbraw/zinc/57/99/29/1434579929.db2.gz OIZSGESWJQSEEV-QGZVFWFLSA-N 2 0 387.549 3.242 20 0 GGADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269057778 1434586393 /nfs/dbraw/zinc/58/63/93/1434586393.db2.gz XEXRFHYLDDOZNX-HNNXBMFYSA-N 2 0 375.513 3.027 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000269059282 1434586422 /nfs/dbraw/zinc/58/64/22/1434586422.db2.gz SZTXBOLXHJPHDA-MRXNPFEDSA-N 2 0 375.513 3.373 20 0 GGADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000269127943 1434595362 /nfs/dbraw/zinc/59/53/62/1434595362.db2.gz YVBJNPRGDKRVRY-CABCVRRESA-N 2 0 389.462 3.369 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269169418 1434600902 /nfs/dbraw/zinc/60/09/02/1434600902.db2.gz RBPHSFGDLITPND-VXKWHMMOSA-N 2 0 387.568 3.026 20 0 GGADRP Cc1nccn1CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000269196777 1434605502 /nfs/dbraw/zinc/60/55/02/1434605502.db2.gz GRCRQHDLZQXUID-VQTJNVASSA-N 2 0 378.480 3.006 20 0 GGADRP [NH3+]CCCCCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000269257530 1434614560 /nfs/dbraw/zinc/61/45/60/1434614560.db2.gz KPVYBEAMJKRFNL-UHFFFAOYSA-N 2 0 381.948 3.209 20 0 GGADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000269260056 1434614972 /nfs/dbraw/zinc/61/49/72/1434614972.db2.gz MCYIMHDESVQZQF-HTAPYJJXSA-N 2 0 399.510 3.121 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000269398795 1434638420 /nfs/dbraw/zinc/63/84/20/1434638420.db2.gz YQVKEWXMBUHPLA-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)nc2)C1 ZINC000269468393 1434650297 /nfs/dbraw/zinc/65/02/97/1434650297.db2.gz YAGOREAZQSJHSU-NRFANRHFSA-N 2 0 393.535 3.070 20 0 GGADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000269482150 1434652138 /nfs/dbraw/zinc/65/21/38/1434652138.db2.gz GESFITAMOROOIS-ZYSHUDEJSA-N 2 0 376.570 3.009 20 0 GGADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000269621384 1434664295 /nfs/dbraw/zinc/66/42/95/1434664295.db2.gz DVBIBCIUUIIVAF-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000269677213 1434668559 /nfs/dbraw/zinc/66/85/59/1434668559.db2.gz CYQUAWUUHVHNDD-JENIJYKNSA-N 2 0 381.520 3.058 20 0 GGADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000269677220 1434668665 /nfs/dbraw/zinc/66/86/65/1434668665.db2.gz CYQUAWUUHVHNDD-ZIFCJYIRSA-N 2 0 381.520 3.058 20 0 GGADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000270047593 1434696541 /nfs/dbraw/zinc/69/65/41/1434696541.db2.gz DMMGYGIWFIIZJO-JOCHJYFZSA-N 2 0 384.568 3.156 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270218320 1434714066 /nfs/dbraw/zinc/71/40/66/1434714066.db2.gz MILVXRMHOKWMJA-OIBXWCBGSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270218342 1434714135 /nfs/dbraw/zinc/71/41/35/1434714135.db2.gz MILVXRMHOKWMJA-WTIAFYNJSA-N 2 0 398.595 3.270 20 0 GGADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000270246441 1434716280 /nfs/dbraw/zinc/71/62/80/1434716280.db2.gz PWOVBONSOKNCRI-PTUXOGIPSA-N 2 0 398.595 3.413 20 0 GGADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000270271233 1434718512 /nfs/dbraw/zinc/71/85/12/1434718512.db2.gz TZGWTPIFSLOPPV-QFIPXVFZSA-N 2 0 398.595 3.021 20 0 GGADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccccc2OCc2cccnc2)ccn1 ZINC000270707980 1434764879 /nfs/dbraw/zinc/76/48/79/1434764879.db2.gz KKOZPIFXWIALPH-UHFFFAOYSA-N 2 0 392.503 3.286 20 0 GGADRP CC(C)OC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270909524 1434787097 /nfs/dbraw/zinc/78/70/97/1434787097.db2.gz NTHPLXMRJURGOV-UHFFFAOYSA-N 2 0 387.568 3.242 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000270994879 1434793994 /nfs/dbraw/zinc/79/39/94/1434793994.db2.gz YJRSYLCWOIRRGU-UHFFFAOYSA-N 2 0 392.975 3.159 20 0 GGADRP COCCCOc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271190903 1434807263 /nfs/dbraw/zinc/80/72/63/1434807263.db2.gz FWNISFOPLVORIR-UHFFFAOYSA-N 2 0 389.584 3.092 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)CC1 ZINC000271199610 1434807692 /nfs/dbraw/zinc/80/76/92/1434807692.db2.gz IOHFARAZZIADRL-UHFFFAOYSA-N 2 0 388.575 3.416 20 0 GGADRP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)[NH+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217730 1434808837 /nfs/dbraw/zinc/80/88/37/1434808837.db2.gz JEFXBRUQUOUFRN-CDJZJNNCSA-N 2 0 384.572 3.324 20 0 GGADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000271232169 1434809709 /nfs/dbraw/zinc/80/97/09/1434809709.db2.gz UWYKLQJUCCGVFE-UHFFFAOYSA-N 2 0 395.595 3.480 20 0 GGADRP CC(C[NH+]1CC[C@H](C)[C@H](n2ccnc2)C1)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271288627 1434813393 /nfs/dbraw/zinc/81/33/93/1434813393.db2.gz MDPNOPJLMFCCMR-FNAHDJPLSA-N 2 0 384.572 3.182 20 0 GGADRP C[C@@H](C[NH+]1CC[C@H](C)[C@H](n2ccnc2)C1)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271288634 1434813412 /nfs/dbraw/zinc/81/34/12/1434813412.db2.gz MDPNOPJLMFCCMR-QGJCJDORSA-N 2 0 384.572 3.182 20 0 GGADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000271314811 1434815380 /nfs/dbraw/zinc/81/53/80/1434815380.db2.gz JJXICJIJUSWKMX-OAHLLOKOSA-N 2 0 377.554 3.432 20 0 GGADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000271314809 1434815459 /nfs/dbraw/zinc/81/54/59/1434815459.db2.gz JJXICJIJUSWKMX-HNNXBMFYSA-N 2 0 377.554 3.432 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000271473049 1434827638 /nfs/dbraw/zinc/82/76/38/1434827638.db2.gz JGZHYKDICOIMFM-GOSISDBHSA-N 2 0 391.519 3.015 20 0 GGADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000271483756 1434828651 /nfs/dbraw/zinc/82/86/51/1434828651.db2.gz KTCZCQHARSKARC-FQEVSTJZSA-N 2 0 399.535 3.236 20 0 GGADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000271508070 1434830454 /nfs/dbraw/zinc/83/04/54/1434830454.db2.gz MVQMPYHSTQUEQL-QGZVFWFLSA-N 2 0 399.539 3.403 20 0 GGADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000271683203 1434843997 /nfs/dbraw/zinc/84/39/97/1434843997.db2.gz CUGGTFLWNDUTHS-UHFFFAOYSA-N 2 0 393.531 3.491 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271729236 1434846698 /nfs/dbraw/zinc/84/66/98/1434846698.db2.gz BWDHCDQHACVUSE-INIZCTEOSA-N 2 0 375.538 3.027 20 0 GGADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271753481 1434848081 /nfs/dbraw/zinc/84/80/81/1434848081.db2.gz RXCCNEONMNDYDP-IPJUCJBFSA-N 2 0 379.570 3.028 20 0 GGADRP COC(=O)c1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000271773349 1434849499 /nfs/dbraw/zinc/84/94/99/1434849499.db2.gz CAGNYEHMPQULLJ-UHFFFAOYSA-N 2 0 386.492 3.227 20 0 GGADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(CCCC(=O)OC)CC1 ZINC000271844901 1434854323 /nfs/dbraw/zinc/85/43/23/1434854323.db2.gz UNWWWMUCPHUQJQ-UHFFFAOYSA-N 2 0 375.557 3.036 20 0 GGADRP CC[NH+]1CCC(Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000271964304 1434862161 /nfs/dbraw/zinc/86/21/61/1434862161.db2.gz DVZXRDZZIFMKJH-UHFFFAOYSA-N 2 0 393.579 3.343 20 0 GGADRP C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272208000 1434878115 /nfs/dbraw/zinc/87/81/15/1434878115.db2.gz PRRMXHIEDQYANJ-WIYYLYMNSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272207997 1434878181 /nfs/dbraw/zinc/87/81/81/1434878181.db2.gz PRRMXHIEDQYANJ-RXVVDRJESA-N 2 0 384.568 3.071 20 0 GGADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000272242678 1434881069 /nfs/dbraw/zinc/88/10/69/1434881069.db2.gz AVXPNHCTSGBZMS-IBGZPJMESA-N 2 0 376.447 3.424 20 0 GGADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272277159 1434883591 /nfs/dbraw/zinc/88/35/91/1434883591.db2.gz FBFGRKNXFGFLGI-ILWGZMRPSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272305636 1434885993 /nfs/dbraw/zinc/88/59/93/1434885993.db2.gz JTFAGWACWDNWID-KSEOMHKRSA-N 2 0 384.568 3.167 20 0 GGADRP COc1c(O)cccc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000272332605 1434887793 /nfs/dbraw/zinc/88/77/93/1434887793.db2.gz WVMCOPNOTJSPLF-QFIPXVFZSA-N 2 0 384.520 3.278 20 0 GGADRP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)ncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272351948 1434889600 /nfs/dbraw/zinc/88/96/00/1434889600.db2.gz YETOJTVCDFYTJV-TYPHKJRUSA-N 2 0 395.551 3.008 20 0 GGADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272449714 1434897165 /nfs/dbraw/zinc/89/71/65/1434897165.db2.gz PLOGFYPPXJBGNS-GHTZIAJQSA-N 2 0 386.540 3.109 20 0 GGADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272468111 1434898285 /nfs/dbraw/zinc/89/82/85/1434898285.db2.gz HYGUMRCJLBXPML-BDKRGJGYSA-N 2 0 384.568 3.023 20 0 GGADRP C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272470381 1434898494 /nfs/dbraw/zinc/89/84/94/1434898494.db2.gz IFPXLWIKYIOWKK-KSEOMHKRSA-N 2 0 384.568 3.024 20 0 GGADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H]2C1 ZINC000272472535 1434898738 /nfs/dbraw/zinc/89/87/38/1434898738.db2.gz QKWHTNRMAPFDQS-XLIONFOSSA-N 2 0 390.959 3.040 20 0 GGADRP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272553216 1434907384 /nfs/dbraw/zinc/90/73/84/1434907384.db2.gz SWTQIEULIJWCBK-ZWCUEREDSA-N 2 0 384.520 3.237 20 0 GGADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272569593 1434908889 /nfs/dbraw/zinc/90/88/89/1434908889.db2.gz SWJJUWZIMRMVHY-TZIWHRDSSA-N 2 0 386.584 3.413 20 0 GGADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000272575894 1434909778 /nfs/dbraw/zinc/90/97/78/1434909778.db2.gz PQLHKXVBXOWKJA-ZDUSSCGKSA-N 2 0 390.496 3.074 20 0 GGADRP C[C@H](NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1=CC[NH+](C)CC1 ZINC000272650656 1434919497 /nfs/dbraw/zinc/91/94/97/1434919497.db2.gz AOULGMCKRWWWAB-IBGZPJMESA-N 2 0 384.568 3.190 20 0 GGADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272659474 1434920582 /nfs/dbraw/zinc/92/05/82/1434920582.db2.gz MPKDFGIKIDMJAL-UGKGYDQZSA-N 2 0 392.547 3.186 20 0 GGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272711619 1434925177 /nfs/dbraw/zinc/92/51/77/1434925177.db2.gz BKACLGMSDYPASL-UWVAXJGDSA-N 2 0 391.556 3.035 20 0 GGADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272711613 1434925180 /nfs/dbraw/zinc/92/51/80/1434925180.db2.gz BKACLGMSDYPASL-FUHIMQAGSA-N 2 0 391.556 3.035 20 0 GGADRP CCNC(=O)COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272762068 1434929076 /nfs/dbraw/zinc/92/90/76/1434929076.db2.gz LTRDNKFNUNGJGV-DENIHFKCSA-N 2 0 395.547 3.202 20 0 GGADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000272775023 1434930147 /nfs/dbraw/zinc/93/01/47/1434930147.db2.gz NKFHEKVHMQEVPU-NRFANRHFSA-N 2 0 397.494 3.217 20 0 GGADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000272775024 1434930155 /nfs/dbraw/zinc/93/01/55/1434930155.db2.gz NKFHEKVHMQEVPU-OAQYLSRUSA-N 2 0 397.494 3.217 20 0 GGADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000272794027 1434931497 /nfs/dbraw/zinc/93/14/97/1434931497.db2.gz YAEIIKGCTRRMOR-JPYJTQIMSA-N 2 0 376.504 3.290 20 0 GGADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000272822300 1434933913 /nfs/dbraw/zinc/93/39/13/1434933913.db2.gz NIIFECLSNOXPIQ-QHCPKHFHSA-N 2 0 395.547 3.025 20 0 GGADRP C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875634 1434938005 /nfs/dbraw/zinc/93/80/05/1434938005.db2.gz WWZPBDASHHZFQZ-TZIWHRDSSA-N 2 0 381.568 3.437 20 0 GGADRP C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875624 1434938070 /nfs/dbraw/zinc/93/80/70/1434938070.db2.gz WWZPBDASHHZFQZ-PZJWPPBQSA-N 2 0 381.568 3.437 20 0 GGADRP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273407907 1434986798 /nfs/dbraw/zinc/98/67/98/1434986798.db2.gz IDTKAEWLYQCSPD-CNNODRBYSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273418951 1434987632 /nfs/dbraw/zinc/98/76/32/1434987632.db2.gz KKWRSAUCMWYLLG-WOIUINJBSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000273418953 1434987644 /nfs/dbraw/zinc/98/76/44/1434987644.db2.gz KKWRSAUCMWYLLG-XQBPLPMBSA-N 2 0 386.584 3.269 20 0 GGADRP CS[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1[NH+]1CCCC1 ZINC000273532602 1434994925 /nfs/dbraw/zinc/99/49/25/1434994925.db2.gz RKVLNNOBRVNBFG-IEBWSBKVSA-N 2 0 387.549 3.146 20 0 GGADRP CS[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1[NH+]1CCCC1 ZINC000273532603 1434994998 /nfs/dbraw/zinc/99/49/98/1434994998.db2.gz RKVLNNOBRVNBFG-MJGOQNOKSA-N 2 0 387.549 3.146 20 0 GGADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000274118797 1435045122 /nfs/dbraw/zinc/04/51/22/1435045122.db2.gz MQMYSLRNMCVCNV-LJQANCHMSA-N 2 0 389.588 3.370 20 0 GGADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)CC1 ZINC000274375142 1435066201 /nfs/dbraw/zinc/06/62/01/1435066201.db2.gz LLZZIUPDDURWDS-UHFFFAOYSA-N 2 0 387.568 3.322 20 0 GGADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000274425729 1435070180 /nfs/dbraw/zinc/07/01/80/1435070180.db2.gz PHRPGJNXOIMZMO-FQEVSTJZSA-N 2 0 386.540 3.231 20 0 GGADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000274776980 1435091624 /nfs/dbraw/zinc/09/16/24/1435091624.db2.gz DXVXFALXHCWKMX-HXUWFJFHSA-N 2 0 399.583 3.024 20 0 GGADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274820767 1435095382 /nfs/dbraw/zinc/09/53/82/1435095382.db2.gz BOLZZOUFCNIXAK-IFMALSPDSA-N 3 0 384.612 3.045 20 0 GGADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274820778 1435095495 /nfs/dbraw/zinc/09/54/95/1435095495.db2.gz BOLZZOUFCNIXAK-UNMCSNQZSA-N 3 0 384.612 3.045 20 0 GGADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000274872520 1435099670 /nfs/dbraw/zinc/09/96/70/1435099670.db2.gz FXUYMQCAJHIJRE-GHTZIAJQSA-N 2 0 384.520 3.067 20 0 GGADRP C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274872579 1435100084 /nfs/dbraw/zinc/10/00/84/1435100084.db2.gz GAQFUJFSMGCHGW-XMSQKQJNSA-N 2 0 386.561 3.231 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274892442 1435101513 /nfs/dbraw/zinc/10/15/13/1435101513.db2.gz JPHSBFPRKKCBMV-UGKGYDQZSA-N 2 0 395.547 3.154 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274892433 1435101616 /nfs/dbraw/zinc/10/16/16/1435101616.db2.gz JPHSBFPRKKCBMV-DENIHFKCSA-N 2 0 395.547 3.154 20 0 GGADRP C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274903689 1435102450 /nfs/dbraw/zinc/10/24/50/1435102450.db2.gz LSBYODIMVDCEFO-GCJKJVERSA-N 2 0 386.561 3.231 20 0 GGADRP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927832 1435104012 /nfs/dbraw/zinc/10/40/12/1435104012.db2.gz QFMRSGQCVFQHMV-WCAVRKLYSA-N 2 0 384.520 3.237 20 0 GGADRP C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274955856 1435105698 /nfs/dbraw/zinc/10/56/98/1435105698.db2.gz VXKQDWMWWMVGRQ-AUSIDOKSSA-N 2 0 379.548 3.431 20 0 GGADRP C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274955859 1435105801 /nfs/dbraw/zinc/10/58/01/1435105801.db2.gz VXKQDWMWWMVGRQ-CVDCTZTESA-N 2 0 379.548 3.431 20 0 GGADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000275761628 1435166685 /nfs/dbraw/zinc/16/66/85/1435166685.db2.gz CLUNDSUKXULTLV-UHFFFAOYSA-N 2 0 395.547 3.247 20 0 GGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000275886039 1435177177 /nfs/dbraw/zinc/17/71/77/1435177177.db2.gz QBGOWTAGJRQNBV-JOCHJYFZSA-N 2 0 393.535 3.448 20 0 GGADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000275914624 1435179400 /nfs/dbraw/zinc/17/94/00/1435179400.db2.gz UWVJZWWLKYRPPL-NRFANRHFSA-N 2 0 382.483 3.411 20 0 GGADRP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CC2)n[nH]1 ZINC000275928005 1435180330 /nfs/dbraw/zinc/18/03/30/1435180330.db2.gz QZZGRNXGGRNHJN-BAGYTPMASA-N 2 0 379.552 3.187 20 0 GGADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000275933137 1435180647 /nfs/dbraw/zinc/18/06/47/1435180647.db2.gz XQWQPYUTDLEWSN-HSZRJFAPSA-N 2 0 393.535 3.448 20 0 GGADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276110582 1435191540 /nfs/dbraw/zinc/19/15/40/1435191540.db2.gz CZGXDEOEVPAUAL-RXVVDRJESA-N 2 0 386.584 3.243 20 0 GGADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000276110575 1435191560 /nfs/dbraw/zinc/19/15/60/1435191560.db2.gz CZGXDEOEVPAUAL-NQIIRXRSSA-N 2 0 386.584 3.243 20 0 GGADRP CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000276112164 1435191824 /nfs/dbraw/zinc/19/18/24/1435191824.db2.gz AYETUWBVQSZUEO-OAHLLOKOSA-N 2 0 391.537 3.154 20 0 GGADRP C[NH+](C)CCc1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000276307629 1435203870 /nfs/dbraw/zinc/20/38/70/1435203870.db2.gz SCGFVKUIQUZMHL-UHFFFAOYSA-N 2 0 398.551 3.190 20 0 GGADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276530854 1435215849 /nfs/dbraw/zinc/21/58/49/1435215849.db2.gz CRZCIAANPJZTRJ-OAQYLSRUSA-N 2 0 391.559 3.359 20 0 GGADRP COCCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000276658645 1435223185 /nfs/dbraw/zinc/22/31/85/1435223185.db2.gz VPQGOWGAYKPNEF-SIKLNZKXSA-N 2 0 382.552 3.164 20 0 GGADRP COCCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000276658646 1435223250 /nfs/dbraw/zinc/22/32/50/1435223250.db2.gz VPQGOWGAYKPNEF-UGKGYDQZSA-N 2 0 382.552 3.164 20 0 GGADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000276737765 1435228965 /nfs/dbraw/zinc/22/89/65/1435228965.db2.gz AKWNZCPJFIKJIR-YLJYHZDGSA-N 2 0 381.524 3.434 20 0 GGADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000276919676 1435243114 /nfs/dbraw/zinc/24/31/14/1435243114.db2.gz QPCQAOYLNRUVCZ-MRXNPFEDSA-N 2 0 377.529 3.133 20 0 GGADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000277024918 1435253303 /nfs/dbraw/zinc/25/33/03/1435253303.db2.gz JNPRMUYLRXLBGS-HXUWFJFHSA-N 2 0 381.524 3.088 20 0 GGADRP COc1cc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)cc1Cl ZINC000277036056 1435254841 /nfs/dbraw/zinc/25/48/41/1435254841.db2.gz BMRTXGODVROUNO-AWEZNQCLSA-N 2 0 383.920 3.102 20 0 GGADRP COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)[C@@H](C)[C@H](C)[NH3+])CC2 ZINC000277111754 1435263143 /nfs/dbraw/zinc/26/31/43/1435263143.db2.gz VOEIVRAJZKPRTA-HOTGVXAUSA-N 2 0 397.519 3.184 20 0 GGADRP C[NH+](C)CCn1ncc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1-c1ccccc1 ZINC000277556986 1435312598 /nfs/dbraw/zinc/31/25/98/1435312598.db2.gz WUAAARUKKNDVQP-UHFFFAOYSA-N 2 0 391.519 3.426 20 0 GGADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000277694956 1435322467 /nfs/dbraw/zinc/32/24/67/1435322467.db2.gz HAYNKSWUYPXUSD-UHFFFAOYSA-N 2 0 398.473 3.079 20 0 GGADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2F)CC1 ZINC000278155117 1435364958 /nfs/dbraw/zinc/36/49/58/1435364958.db2.gz ANNDEMSOSXYHPT-JOCHJYFZSA-N 2 0 384.499 3.169 20 0 GGADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)CC1 ZINC000278343257 1435381830 /nfs/dbraw/zinc/38/18/30/1435381830.db2.gz XVCLFQSOXOEBOB-HSZRJFAPSA-N 2 0 380.536 3.277 20 0 GGADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)cc1)C(C)C ZINC000278859896 1435432299 /nfs/dbraw/zinc/43/22/99/1435432299.db2.gz MYGMJONVXIZHBM-IBGZPJMESA-N 2 0 387.568 3.242 20 0 GGADRP CN(C)[C@H](CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccco1 ZINC000279255912 1435477912 /nfs/dbraw/zinc/47/79/12/1435477912.db2.gz PZRPTAAICZBJJB-GOSISDBHSA-N 2 0 385.512 3.004 20 0 GGADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000279552221 1435512377 /nfs/dbraw/zinc/51/23/77/1435512377.db2.gz BGIOVZAQABPQBA-MSOLQXFVSA-N 2 0 398.551 3.132 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000279552225 1435512431 /nfs/dbraw/zinc/51/24/31/1435512431.db2.gz BGIOVZAQABPQBA-QZTJIDSGSA-N 2 0 398.551 3.132 20 0 GGADRP CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000279691388 1435530575 /nfs/dbraw/zinc/53/05/75/1435530575.db2.gz HZJDPUYKCUDDAW-UHFFFAOYSA-N 2 0 379.495 3.390 20 0 GGADRP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000279856026 1435552766 /nfs/dbraw/zinc/55/27/66/1435552766.db2.gz BEJQEKUFAYIHCU-UHFFFAOYSA-N 2 0 384.568 3.278 20 0 GGADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279862193 1435554186 /nfs/dbraw/zinc/55/41/86/1435554186.db2.gz MPNYQNKEGAYMQG-MDASCCDHSA-N 2 0 379.907 3.215 20 0 GGADRP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000279882204 1435557200 /nfs/dbraw/zinc/55/72/00/1435557200.db2.gz KGTHQYMQPYJXJB-UHFFFAOYSA-N 2 0 390.531 3.427 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000279907310 1435561275 /nfs/dbraw/zinc/56/12/75/1435561275.db2.gz LPLKNVOKYAYWTA-RTBURBONSA-N 2 0 377.573 3.203 20 0 GGADRP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000279961707 1435570025 /nfs/dbraw/zinc/57/00/25/1435570025.db2.gz CIDRXHOIBVXLHC-UNMCSNQZSA-N 2 0 396.531 3.438 20 0 GGADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000279997043 1435574075 /nfs/dbraw/zinc/57/40/75/1435574075.db2.gz RNZKRYOTYAMBGE-QWFCFKBJSA-N 2 0 377.573 3.057 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)[C@@H](C)C1 ZINC000280125743 1435596491 /nfs/dbraw/zinc/59/64/91/1435596491.db2.gz AIJVZKBYGCBMMO-QFBILLFUSA-N 2 0 391.947 3.147 20 0 GGADRP CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000280510825 1435671633 /nfs/dbraw/zinc/67/16/33/1435671633.db2.gz NNWGUUQBMZMQCT-WMZHIEFXSA-N 2 0 387.568 3.047 20 0 GGADRP CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000280510827 1435671747 /nfs/dbraw/zinc/67/17/47/1435671747.db2.gz NNWGUUQBMZMQCT-XXBNENTESA-N 2 0 387.568 3.047 20 0 GGADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccnn1-c1ccccc1 ZINC000281110638 1435775860 /nfs/dbraw/zinc/77/58/60/1435775860.db2.gz CICCLBFFKFIMBT-SFHVURJKSA-N 2 0 391.519 3.015 20 0 GGADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000281258877 1435801159 /nfs/dbraw/zinc/80/11/59/1435801159.db2.gz OJIHORDPVKHZBI-SFTDATJTSA-N 2 0 379.552 3.353 20 0 GGADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000281258871 1435801218 /nfs/dbraw/zinc/80/12/18/1435801218.db2.gz OJIHORDPVKHZBI-RTWAWAEBSA-N 2 0 379.552 3.353 20 0 GGADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000281611020 1435815506 /nfs/dbraw/zinc/81/55/06/1435815506.db2.gz BFFJHSUGVAMFHP-HKUYNNGSSA-N 2 0 383.458 3.028 20 0 GGADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccnn1-c1ccccc1 ZINC000281634692 1435816620 /nfs/dbraw/zinc/81/66/20/1435816620.db2.gz OPRZIBLJPXXTGM-SFHVURJKSA-N 2 0 391.519 3.015 20 0 GGADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccnn1-c1ccccc1 ZINC000281725892 1435819636 /nfs/dbraw/zinc/81/96/36/1435819636.db2.gz USEISJPSYXGIAS-PGRDOPGGSA-N 2 0 376.504 3.290 20 0 GGADRP COCCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1 ZINC000281960337 1435828683 /nfs/dbraw/zinc/82/86/83/1435828683.db2.gz MXVAJSKZFLOFTA-NRFANRHFSA-N 2 0 386.515 3.230 20 0 GGADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)[C@@H](C)C1 ZINC000282208004 1435838380 /nfs/dbraw/zinc/83/83/80/1435838380.db2.gz IUZYQEGHDVDYPC-QFBILLFUSA-N 2 0 376.570 3.375 20 0 GGADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)s2)cn1 ZINC000282329804 1435843358 /nfs/dbraw/zinc/84/33/58/1435843358.db2.gz UWKUNMQTDVOAKW-UHFFFAOYSA-N 2 0 395.576 3.186 20 0 GGADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282353524 1435844120 /nfs/dbraw/zinc/84/41/20/1435844120.db2.gz LWGGXMJACHCKCN-NRFANRHFSA-N 2 0 387.568 3.103 20 0 GGADRP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411994 1435846260 /nfs/dbraw/zinc/84/62/60/1435846260.db2.gz GALFJZPBXDDOBN-JRFVFWCSSA-N 2 0 389.543 3.213 20 0 GGADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(C(F)F)CC3)c2)C1 ZINC000282436701 1435847161 /nfs/dbraw/zinc/84/71/61/1435847161.db2.gz UHSVVDIRTDLTBQ-JLAWEPINSA-N 2 0 379.495 3.297 20 0 GGADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(C(F)F)CC3)c2)C1 ZINC000282436703 1435847210 /nfs/dbraw/zinc/84/72/10/1435847210.db2.gz UHSVVDIRTDLTBQ-XBMUEBEBSA-N 2 0 379.495 3.297 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000282668511 1435855723 /nfs/dbraw/zinc/85/57/23/1435855723.db2.gz GTWPNJIBLSFGQE-CTNGQTDRSA-N 2 0 384.568 3.071 20 0 GGADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000282668532 1435855768 /nfs/dbraw/zinc/85/57/68/1435855768.db2.gz GTWPNJIBLSFGQE-PZJWPPBQSA-N 2 0 384.568 3.071 20 0 GGADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1=CC[NH+](C)CC1 ZINC000282703441 1435856991 /nfs/dbraw/zinc/85/69/91/1435856991.db2.gz JMGXBFCCQFVFIH-NQIIRXRSSA-N 2 0 384.568 3.237 20 0 GGADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1=CC[NH+](C)CC1 ZINC000282703457 1435857054 /nfs/dbraw/zinc/85/70/54/1435857054.db2.gz JMGXBFCCQFVFIH-WIYYLYMNSA-N 2 0 384.568 3.237 20 0 GGADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282837360 1435862382 /nfs/dbraw/zinc/86/23/82/1435862382.db2.gz STUOQJBKRSRQTJ-OAQYLSRUSA-N 2 0 386.584 3.270 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000282998235 1435869616 /nfs/dbraw/zinc/86/96/16/1435869616.db2.gz QWYVNRFNBRMGNW-GIVPXCGWSA-N 2 0 386.584 3.269 20 0 GGADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000282998246 1435869623 /nfs/dbraw/zinc/86/96/23/1435869623.db2.gz QWYVNRFNBRMGNW-HLAWJBBLSA-N 2 0 386.584 3.269 20 0 GGADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c2ccccc21 ZINC000283482689 1435891908 /nfs/dbraw/zinc/89/19/08/1435891908.db2.gz XGFDGYXUUSOMLV-STZQEDGTSA-N 2 0 387.568 3.031 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccccc3N3CCOCC3)cc2)CC1 ZINC000283887241 1435945434 /nfs/dbraw/zinc/94/54/34/1435945434.db2.gz HIRGUELEWWGKQW-UHFFFAOYSA-N 2 0 395.547 3.286 20 0 GGADRP Cc1nn2c(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)c(C)nc2s1 ZINC000283932976 1435955607 /nfs/dbraw/zinc/95/56/07/1435955607.db2.gz JIOBXVBFSXWTDU-UHFFFAOYSA-N 2 0 385.537 3.170 20 0 GGADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000284146877 1435999023 /nfs/dbraw/zinc/99/90/23/1435999023.db2.gz OZRFMGXDCATHKI-LJQANCHMSA-N 2 0 385.556 3.063 20 0 GGADRP COCCOc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284160970 1436000710 /nfs/dbraw/zinc/00/07/10/1436000710.db2.gz WISSINLDYMDOAQ-UHFFFAOYSA-N 2 0 384.520 3.475 20 0 GGADRP CCN1CC[NH+](CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284275063 1436009015 /nfs/dbraw/zinc/00/90/15/1436009015.db2.gz XBDYHIFCPRUSEN-UHFFFAOYSA-N 3 0 386.628 3.437 20 0 GGADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000284351947 1436015446 /nfs/dbraw/zinc/01/54/46/1436015446.db2.gz MHUPDCSUBKPDCC-UHFFFAOYSA-N 2 0 380.536 3.313 20 0 GGADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284480716 1436024950 /nfs/dbraw/zinc/02/49/50/1436024950.db2.gz WINYNSBZWKJLHT-IBGZPJMESA-N 2 0 387.568 3.430 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2)CC1 ZINC001164413284 718881452 /nfs/dbraw/zinc/88/14/52/718881452.db2.gz GMTANTNRFZWHDB-KRWDZBQOSA-N 3 0 398.473 3.208 20 0 GGADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164615431 719037671 /nfs/dbraw/zinc/03/76/71/719037671.db2.gz MPEBEBSUBYFLTP-UHFFFAOYSA-N 2 0 382.886 3.092 20 0 GGADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(C5CC[NH2+]CC5)n4)[C@@H]3C2)cc1 ZINC001164628797 719089067 /nfs/dbraw/zinc/08/90/67/719089067.db2.gz OIPOAXXVQQFWJO-IFMALSPDSA-N 2 0 377.536 3.044 20 0 GGADRP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626713 719092336 /nfs/dbraw/zinc/09/23/36/719092336.db2.gz IOKXGACRBQYETL-IRLDBZIGSA-N 2 0 391.563 3.110 20 0 GGADRP c1csc(C[N@@H+]2CCOC3(CCN(c4cc(-n5ccnc5)cc[nH+]4)CC3)C2)c1 ZINC001164707717 719900110 /nfs/dbraw/zinc/90/01/10/719900110.db2.gz WBYKPPPIJZZPMZ-UHFFFAOYSA-N 2 0 395.532 3.200 20 0 GGADRP C[NH+](C)Cc1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164707482 719901795 /nfs/dbraw/zinc/90/17/95/719901795.db2.gz RALHSVVBFQFKJB-UHFFFAOYSA-N 2 0 386.565 3.076 20 0 GGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1 ZINC001164736052 720532352 /nfs/dbraw/zinc/53/23/52/720532352.db2.gz UVYYNHPNKORRDZ-ICSRJNTNSA-N 2 0 382.556 3.023 20 0 GGADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164842456 720571874 /nfs/dbraw/zinc/57/18/74/720571874.db2.gz XMZSLXHNGPXTIF-HJNYFJLDSA-N 2 0 394.567 3.256 20 0 GGADRP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc2[nH]ccc21 ZINC001164841283 720588177 /nfs/dbraw/zinc/58/81/77/720588177.db2.gz RUKQFHGEMVMUAD-LVCYWYKZSA-N 2 0 378.524 3.446 20 0 GGADRP C[NH+](C)Cc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840956 720720690 /nfs/dbraw/zinc/72/06/90/720720690.db2.gz SXSFIBYPYRJMJY-QFIPXVFZSA-N 2 0 394.563 3.403 20 0 GGADRP Cc1cc(N2CCCC2)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164858333 720917807 /nfs/dbraw/zinc/91/78/07/720917807.db2.gz MQHSGLUEVKCZPT-QGZVFWFLSA-N 2 0 383.544 3.003 20 0 GGADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C[NH+]1CCCC1)[C@@H]2C ZINC001164864804 721018292 /nfs/dbraw/zinc/01/82/92/721018292.db2.gz ZOIPPXGECIEQIE-GOSISDBHSA-N 2 0 382.556 3.295 20 0 GGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4[nH]ccc4c[nH+]3)C2)C1 ZINC001164776709 721337358 /nfs/dbraw/zinc/33/73/58/721337358.db2.gz HXUQMOIVYJRJEJ-JOCHJYFZSA-N 2 0 395.507 3.287 20 0 GGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c2)CC1 ZINC001164883208 721359408 /nfs/dbraw/zinc/35/94/08/721359408.db2.gz OEEMSHQGUKXAPZ-MOPGFXCFSA-N 2 0 398.532 3.000 20 0 GGADRP C[NH+](C)Cc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796959 721502035 /nfs/dbraw/zinc/50/20/35/721502035.db2.gz ZYUUNSBQTYXVDD-UHFFFAOYSA-N 2 0 379.552 3.419 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@@H+]3C2)c1 ZINC001164906775 721545138 /nfs/dbraw/zinc/54/51/38/721545138.db2.gz LHOVFLXVXYIMRQ-PZJWPPBQSA-N 2 0 382.483 3.163 20 0 GGADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164904827 721552792 /nfs/dbraw/zinc/55/27/92/721552792.db2.gz FZJKEXCNBJTOMI-IFMALSPDSA-N 2 0 396.510 3.158 20 0 GGADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164904834 721552848 /nfs/dbraw/zinc/55/28/48/721552848.db2.gz FZJKEXCNBJTOMI-UNMCSNQZSA-N 2 0 396.510 3.158 20 0 GGADRP C[N@H+](Cc1ccc(N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908721 721557594 /nfs/dbraw/zinc/55/75/94/721557594.db2.gz RTIWCLSPQQSVHJ-UNMCSNQZSA-N 2 0 396.510 3.157 20 0 GGADRP Cc1[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc2[nH]ccc21 ZINC001164805380 721572242 /nfs/dbraw/zinc/57/22/42/721572242.db2.gz NDKGDDVXSYNOCU-URVUXULASA-N 2 0 377.492 3.135 20 0 GGADRP CN(C)c1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164903722 721586194 /nfs/dbraw/zinc/58/61/94/721586194.db2.gz BXKJVNWNZBGWMH-FQEVSTJZSA-N 2 0 387.478 3.280 20 0 GGADRP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020428 721797905 /nfs/dbraw/zinc/79/79/05/721797905.db2.gz FRPKDGPQBVYFMU-TYPHKJRUSA-N 2 0 394.567 3.373 20 0 GGADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(N(C)C)[nH+]2)CC1 ZINC001165023385 721838427 /nfs/dbraw/zinc/83/84/27/721838427.db2.gz WGCVUYTWPMKASF-UHFFFAOYSA-N 2 0 384.524 3.266 20 0 GGADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[NH+](C[C@@H]4CCCO4)CC3)c12 ZINC001165038665 721911899 /nfs/dbraw/zinc/91/18/99/721911899.db2.gz NKAOGUAEMJXUAT-FQEVSTJZSA-N 2 0 376.504 3.386 20 0 GGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N(C)C)cc[nH+]4)CC3)C2)cc1 ZINC001164939374 721925847 /nfs/dbraw/zinc/92/58/47/721925847.db2.gz KPEBYZDCDZQZBO-UHFFFAOYSA-N 2 0 380.536 3.327 20 0 GGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164968091 722077507 /nfs/dbraw/zinc/07/75/07/722077507.db2.gz QCAOAUMQXGRQKI-BDTNDASRSA-N 2 0 384.568 3.318 20 0 GGADRP