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+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001422400873 890589040 /nfs/dbraw/zinc/58/90/40/890589040.db2.gz PSZACIDSZALDSO-UWVGGRQHSA-N 1 3 272.349 -2.120 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001422400873 890589048 /nfs/dbraw/zinc/58/90/48/890589048.db2.gz PSZACIDSZALDSO-UWVGGRQHSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+](C)CCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001424429979 890733481 /nfs/dbraw/zinc/73/34/81/890733481.db2.gz WDXXUULDUZIJBS-UHFFFAOYSA-N 1 3 286.376 -1.322 20 0 CAADHO COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CNCCO1 ZINC001327595768 884909303 /nfs/dbraw/zinc/90/93/03/884909303.db2.gz DWIULCAIRVVSAG-WDEREUQCSA-N 1 3 257.334 -1.188 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(F)CC[NH2+]C2)n1 ZINC001328454106 884987679 /nfs/dbraw/zinc/98/76/79/884987679.db2.gz CVNYOSUWUCADDB-LLVKDONJSA-N 1 3 269.280 -1.041 20 0 CAADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Cn1ccnn1 ZINC001329223833 885078371 /nfs/dbraw/zinc/07/83/71/885078371.db2.gz WLUAWJUQAOVFSZ-NWDGAFQWSA-N 1 3 269.349 -1.315 20 0 CAADHO [NH3+]CC1(NC(=O)C[C@H]2CNCCO2)CCOCC1 ZINC001331724962 885320397 /nfs/dbraw/zinc/32/03/97/885320397.db2.gz JSHYDUVYBWHCTG-JTQLQIEISA-N 1 3 257.334 -1.011 20 0 CAADHO c1c(CN2CC[NH2+]CC2)nnn1C[C@@H]1CNCCO1 ZINC001331857655 885359368 /nfs/dbraw/zinc/35/93/68/885359368.db2.gz MMUDSUSKHJEWGZ-LBPRGKRZSA-N 1 3 266.349 -1.328 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)N(C)C ZINC001332575992 885423305 /nfs/dbraw/zinc/42/33/05/885423305.db2.gz WAQSXZWYPMKOQE-QWRGUYRKSA-N 1 3 261.366 -1.272 20 0 CAADHO CN1CC[C@@](O)(C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001336000072 885643422 /nfs/dbraw/zinc/64/34/22/885643422.db2.gz JKBQWWPTJQVGDP-UONOGXRCSA-N 1 3 286.420 -1.749 20 0 CAADHO NCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001339306656 885767548 /nfs/dbraw/zinc/76/75/48/885767548.db2.gz QKRHWICEUIINGX-HLTSFMKQSA-N 1 3 254.290 -1.661 20 0 CAADHO CN1CCN(CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114766 885792383 /nfs/dbraw/zinc/79/23/83/885792383.db2.gz WSUZEFYPAFHHDY-OCCSQVGLSA-N 1 3 284.404 -1.147 20 0 CAADHO [NH3+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC001341116437 885826186 /nfs/dbraw/zinc/82/61/86/885826186.db2.gz PEAILAXWGGOJQU-PWSUYJOCSA-N 1 3 257.334 -1.323 20 0 CAADHO CN(C)CC(=O)NC[C@@H](C[NH3+])NC(=O)CN(C)C ZINC001342179172 885877563 /nfs/dbraw/zinc/87/75/63/885877563.db2.gz MCOYLPKCZNSMBR-SECBINFHSA-N 1 3 259.354 -2.331 20 0 CAADHO CCN1CCN([C@@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001343453538 885917644 /nfs/dbraw/zinc/91/76/44/885917644.db2.gz OZOONLPWDJOADR-LBPRGKRZSA-N 1 3 271.409 -1.323 20 0 CAADHO [NH3+]C1(CNC(=O)C[C@@H]2CNCCO2)CCOCC1 ZINC001352850089 886250294 /nfs/dbraw/zinc/25/02/94/886250294.db2.gz VHJXIPMWLHHEPY-SNVBAGLBSA-N 1 3 257.334 -1.011 20 0 CAADHO C[NH2+]C[C@H](C)CNS(=O)(=O)N1CCNCC1 ZINC001354183274 886300860 /nfs/dbraw/zinc/30/08/60/886300860.db2.gz BCDKVXNVRCIYFQ-VIFPVBQESA-N 1 3 250.368 -1.419 20 0 CAADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCN(C)CCOC ZINC001357391674 886403641 /nfs/dbraw/zinc/40/36/41/886403641.db2.gz KZTAOFUVCFWJHU-GHMZBOCLSA-N 1 3 261.366 -1.103 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001369490849 887576577 /nfs/dbraw/zinc/57/65/77/887576577.db2.gz QNWVSLXIDGEAQR-LLVKDONJSA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001369476185 887579512 /nfs/dbraw/zinc/57/95/12/887579512.db2.gz ZILOPAZLYPCVPR-GMTAPVOTSA-N 1 3 286.376 -1.779 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001374619519 887816105 /nfs/dbraw/zinc/81/61/05/887816105.db2.gz YIUGYUZIQYNCDU-MNOVXSKESA-N 1 3 273.377 -1.082 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001376100081 887902886 /nfs/dbraw/zinc/90/28/86/887902886.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 1 3 271.361 -1.517 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001376100081 887902892 /nfs/dbraw/zinc/90/28/92/887902892.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 1 3 271.361 -1.517 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001376100060 887903143 /nfs/dbraw/zinc/90/31/43/887903143.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 1 3 271.361 -1.517 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001376100060 887903147 /nfs/dbraw/zinc/90/31/47/887903147.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 1 3 271.361 -1.517 20 0 CAADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001377599023 888006037 /nfs/dbraw/zinc/00/60/37/888006037.db2.gz PEQSUIPFNPFBJA-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO CN(CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371969 888687364 /nfs/dbraw/zinc/68/73/64/888687364.db2.gz GHQRXLLWVDQYSG-SNVBAGLBSA-N 1 3 272.349 -1.977 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001401572714 889161231 /nfs/dbraw/zinc/16/12/31/889161231.db2.gz PUKPTNBGIDTXTG-DCAQKATOSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001401572714 889161235 /nfs/dbraw/zinc/16/12/35/889161235.db2.gz PUKPTNBGIDTXTG-DCAQKATOSA-N 1 3 286.376 -1.731 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406214413 889486114 /nfs/dbraw/zinc/48/61/14/889486114.db2.gz LFLLCOBBCKXWBN-OUAUKWLOSA-N 1 3 286.376 -1.861 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406214413 889486126 /nfs/dbraw/zinc/48/61/26/889486126.db2.gz LFLLCOBBCKXWBN-OUAUKWLOSA-N 1 3 286.376 -1.861 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301191 889509476 /nfs/dbraw/zinc/50/94/76/889509476.db2.gz KTSAWXRAIAJWTD-NSHDSACASA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001411090400 889731993 /nfs/dbraw/zinc/73/19/93/889731993.db2.gz CLOYDGZMEVJMGC-MWLCHTKSSA-N 1 3 270.333 -1.258 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411154022 889736411 /nfs/dbraw/zinc/73/64/11/889736411.db2.gz YYGOZHNKNCEDFZ-QWRGUYRKSA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411154022 889736417 /nfs/dbraw/zinc/73/64/17/889736417.db2.gz YYGOZHNKNCEDFZ-QWRGUYRKSA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411154013 889739620 /nfs/dbraw/zinc/73/96/20/889739620.db2.gz YYGOZHNKNCEDFZ-GHMZBOCLSA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411154013 889739622 /nfs/dbraw/zinc/73/96/22/889739622.db2.gz YYGOZHNKNCEDFZ-GHMZBOCLSA-N 1 3 286.376 -1.907 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420193049 890410623 /nfs/dbraw/zinc/41/06/23/890410623.db2.gz IFCCHGNFPOAUJH-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420193049 890410616 /nfs/dbraw/zinc/41/06/16/890410616.db2.gz IFCCHGNFPOAUJH-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001420215385 890419082 /nfs/dbraw/zinc/41/90/82/890419082.db2.gz ORISDOCPVLNYJF-WDEREUQCSA-N 1 3 288.392 -1.472 20 0 CAADHO CN(C)C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923612647 883997607 /nfs/dbraw/zinc/99/76/07/883997607.db2.gz RIWDXUVQURYYAA-NSHDSACASA-N 1 3 292.405 -1.601 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127639360 884058358 /nfs/dbraw/zinc/05/83/58/884058358.db2.gz YJABYWYLNWYYKB-GMTAPVOTSA-N 1 3 296.371 -1.162 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127639360 884058371 /nfs/dbraw/zinc/05/83/71/884058371.db2.gz YJABYWYLNWYYKB-GMTAPVOTSA-N 1 3 296.371 -1.162 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653016 884058814 /nfs/dbraw/zinc/05/88/14/884058814.db2.gz JIJPGBJIQOJJDT-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653016 884058827 /nfs/dbraw/zinc/05/88/27/884058827.db2.gz JIJPGBJIQOJJDT-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127639361 884059610 /nfs/dbraw/zinc/05/96/10/884059610.db2.gz YJABYWYLNWYYKB-MXWKQRLJSA-N 1 3 296.371 -1.162 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127639361 884059628 /nfs/dbraw/zinc/05/96/28/884059628.db2.gz YJABYWYLNWYYKB-MXWKQRLJSA-N 1 3 296.371 -1.162 20 0 CAADHO C[NH+](C)C[C@@]1(O)CCN(c2nc(N)nc(N)n2)C1 ZINC001307189394 884120049 /nfs/dbraw/zinc/12/00/49/884120049.db2.gz FMDXQIAIQCDNGP-JTQLQIEISA-N 1 3 253.310 -1.461 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662112 884237026 /nfs/dbraw/zinc/23/70/26/884237026.db2.gz UPJBOPVNNBYMII-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662112 884237040 /nfs/dbraw/zinc/23/70/40/884237040.db2.gz UPJBOPVNNBYMII-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320920181 884454022 /nfs/dbraw/zinc/45/40/22/884454022.db2.gz BLXLUNRHNVQOKG-SNVBAGLBSA-N 1 3 256.350 -1.139 20 0 CAADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320920181 884454041 /nfs/dbraw/zinc/45/40/41/884454041.db2.gz BLXLUNRHNVQOKG-SNVBAGLBSA-N 1 3 256.350 -1.139 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001325127249 884708276 /nfs/dbraw/zinc/70/82/76/884708276.db2.gz UKAHMBNQALCBDG-LBPRGKRZSA-N 1 3 259.350 -1.517 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001325127247 884710220 /nfs/dbraw/zinc/71/02/20/884710220.db2.gz UKAHMBNQALCBDG-GFCCVEGCSA-N 1 3 259.350 -1.517 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC001326298850 884781110 /nfs/dbraw/zinc/78/11/10/884781110.db2.gz WONTVQGSDYOALC-ONGXEEELSA-N 1 3 256.350 -1.107 20 0 CAADHO C[C@@H](CNC(=O)COCC[NH3+])CN1CCN(C)CC1 ZINC001326026420 884759518 /nfs/dbraw/zinc/75/95/18/884759518.db2.gz CMYIBQGFRACLSM-LBPRGKRZSA-N 1 3 272.393 -1.039 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C[NH3+])C1 ZINC001326298849 884779543 /nfs/dbraw/zinc/77/95/43/884779543.db2.gz WONTVQGSDYOALC-KOLCDFICSA-N 1 3 256.350 -1.107 20 0 CAADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001326807676 884836260 /nfs/dbraw/zinc/83/62/60/884836260.db2.gz SHROOCWTCGDXQT-GRYCIOLGSA-N 1 3 298.387 -1.453 20 0 CAADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326923786 884847477 /nfs/dbraw/zinc/84/74/77/884847477.db2.gz QIRBONOEABUNTD-QWRGUYRKSA-N 1 3 257.334 -1.140 20 0 CAADHO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CNCCO1 ZINC001327018828 884853456 /nfs/dbraw/zinc/85/34/56/884853456.db2.gz UIMRYGHZFCFJBY-BXKDBHETSA-N 1 3 268.317 -1.351 20 0 CAADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001327599802 884908350 /nfs/dbraw/zinc/90/83/50/884908350.db2.gz WCSHHRPOAVDUNS-UWVGGRQHSA-N 1 3 255.318 -1.449 20 0 CAADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001327599799 884909602 /nfs/dbraw/zinc/90/96/02/884909602.db2.gz WCSHHRPOAVDUNS-NXEZZACHSA-N 1 3 255.318 -1.449 20 0 CAADHO OC[C@@H]1C[C@@H](O)CN1C/C=C/C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001328380412 884978032 /nfs/dbraw/zinc/97/80/32/884978032.db2.gz DCPZRKBGCBJMEF-ZWODLEOPSA-N 1 3 286.372 -1.602 20 0 CAADHO OC[C@@H]1C[C@@H](O)CN1C/C=C/C[N@H+]1C[C@H](O)C[C@H]1CO ZINC001328380412 884978051 /nfs/dbraw/zinc/97/80/51/884978051.db2.gz DCPZRKBGCBJMEF-ZWODLEOPSA-N 1 3 286.372 -1.602 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1C[C@H]1C[NH2+]CCO1 ZINC001328437778 884986558 /nfs/dbraw/zinc/98/65/58/884986558.db2.gz SDVXSMZSTMWPMS-MNOVXSKESA-N 1 3 257.334 -1.188 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1C[C@H]1C[NH2+]CCO1 ZINC001328437764 884988748 /nfs/dbraw/zinc/98/87/48/884988748.db2.gz SDVXSMZSTMWPMS-GHMZBOCLSA-N 1 3 257.334 -1.188 20 0 CAADHO CN(C)C(=O)[C@@H]1CN(CCN2CC[NH2+]CC2)CCN1 ZINC001328493818 884995613 /nfs/dbraw/zinc/99/56/13/884995613.db2.gz YJKIFAWHSDTXJL-LBPRGKRZSA-N 1 3 269.393 -1.746 20 0 CAADHO O[C@H](C[NH2+]C[C@H](O)Cn1ccnn1)CN1CCCC1 ZINC001329223832 885076484 /nfs/dbraw/zinc/07/64/84/885076484.db2.gz WLUAWJUQAOVFSZ-NEPJUHHUSA-N 1 3 269.349 -1.315 20 0 CAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001330214967 885182140 /nfs/dbraw/zinc/18/21/40/885182140.db2.gz OBOHUEQHLHXIKP-OUAUKWLOSA-N 1 3 268.361 -1.046 20 0 CAADHO C([C@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330584884 885205610 /nfs/dbraw/zinc/20/56/10/885205610.db2.gz PJCKSXVRGYVEFG-QWHCGFSZSA-N 1 3 254.378 -1.046 20 0 CAADHO C([C@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330584881 885206599 /nfs/dbraw/zinc/20/65/99/885206599.db2.gz PJCKSXVRGYVEFG-CHWSQXEVSA-N 1 3 254.378 -1.046 20 0 CAADHO O=C(CN1CCNCC[NH2+]CC1)N1CCNCC1 ZINC001332335252 885400400 /nfs/dbraw/zinc/40/04/00/885400400.db2.gz ROQGAKRTSWSMPQ-UHFFFAOYSA-N 1 3 255.366 -2.087 20 0 CAADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566307 885421367 /nfs/dbraw/zinc/42/13/67/885421367.db2.gz NROVOGVCMYEKNN-VXGBXAGGSA-N 1 3 273.377 -1.271 20 0 CAADHO C[NH2+][C@H](C)CCNS(=O)(=O)N1CCNCC1 ZINC001332814647 885439544 /nfs/dbraw/zinc/43/95/44/885439544.db2.gz AVMAMLKOGAISGU-SECBINFHSA-N 1 3 250.368 -1.276 20 0 CAADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001333532128 885488162 /nfs/dbraw/zinc/48/81/62/885488162.db2.gz KSVRXFJTPMVASZ-LBPRGKRZSA-N 1 3 298.387 -1.309 20 0 CAADHO COCC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001333631381 885497158 /nfs/dbraw/zinc/49/71/58/885497158.db2.gz RUVRZIICGGVDOD-NSHDSACASA-N 1 3 258.366 -1.238 20 0 CAADHO C[NH2+]C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC001334337931 885534582 /nfs/dbraw/zinc/53/45/82/885534582.db2.gz OALDYLZMTRIXJP-JTQLQIEISA-N 1 3 262.379 -1.322 20 0 CAADHO CN(C)S(=O)(=O)NCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC001335431454 885621366 /nfs/dbraw/zinc/62/13/66/885621366.db2.gz MNJSXPZUZBUBIS-NSHDSACASA-N 1 3 294.421 -1.573 20 0 CAADHO CN1CC[C@](O)(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001336000071 885643356 /nfs/dbraw/zinc/64/33/56/885643356.db2.gz JKBQWWPTJQVGDP-KGLIPLIRSA-N 1 3 286.420 -1.749 20 0 CAADHO COC(=O)[C@H]1CN(CCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001336095830 885645648 /nfs/dbraw/zinc/64/56/48/885645648.db2.gz OJOZWCUUGPJNLZ-UWVGGRQHSA-N 1 3 274.317 -1.144 20 0 CAADHO NCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001339306742 885766406 /nfs/dbraw/zinc/76/64/06/885766406.db2.gz QKRHWICEUIINGX-YIZRAAEISA-N 1 3 254.290 -1.661 20 0 CAADHO O=C(NC[C@H]1CNCCO1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340471451 885802684 /nfs/dbraw/zinc/80/26/84/885802684.db2.gz KZNABJGLFHACAO-WZRBSPASSA-N 1 3 269.345 -1.283 20 0 CAADHO COC[C@@]1(C(=O)NCC2(O)C[NH2+]C2)CCCCN1 ZINC001340596873 885807064 /nfs/dbraw/zinc/80/70/64/885807064.db2.gz UTXUNFJJWUVTBT-GFCCVEGCSA-N 1 3 257.334 -1.404 20 0 CAADHO [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001341098397 885826754 /nfs/dbraw/zinc/82/67/54/885826754.db2.gz SWAFKGNWJZHJIF-GHMZBOCLSA-N 1 3 284.360 -1.712 20 0 CAADHO CN(C)CC(=O)NCC[NH2+]CCNC(=O)CN(C)C ZINC001341636481 885851412 /nfs/dbraw/zinc/85/14/12/885851412.db2.gz RBTJVIJXGWSZMK-UHFFFAOYSA-N 1 3 273.381 -2.068 20 0 CAADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC001341942350 885863953 /nfs/dbraw/zinc/86/39/53/885863953.db2.gz HCTXDCIPHOVPJP-CMPLNLGQSA-N 1 3 257.334 -1.404 20 0 CAADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC001341942583 885864990 /nfs/dbraw/zinc/86/49/90/885864990.db2.gz HCTXDCIPHOVPJP-JQWIXIFHSA-N 1 3 257.334 -1.404 20 0 CAADHO CN1CCNC[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC001342301878 885880687 /nfs/dbraw/zinc/88/06/87/885880687.db2.gz OAIVZUHDOOELTI-JTQLQIEISA-N 1 3 256.350 -1.486 20 0 CAADHO COC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CNCCO1 ZINC001342622132 885894950 /nfs/dbraw/zinc/89/49/50/885894950.db2.gz LUFWLHGWHGUVLD-CYBMUJFWSA-N 1 3 286.376 -1.987 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@H]1[NH2+]CC12CCOCC2 ZINC001343099818 885905572 /nfs/dbraw/zinc/90/55/72/885905572.db2.gz PYLHDMONXYVWPJ-WDEREUQCSA-N 1 3 269.345 -1.140 20 0 CAADHO COC1CCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001343438641 885914112 /nfs/dbraw/zinc/91/41/12/885914112.db2.gz HLUGORYYKCUEJK-UHFFFAOYSA-N 1 3 258.366 -1.238 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343506477 885916785 /nfs/dbraw/zinc/91/67/85/885916785.db2.gz FHBCQNUUOHGPSP-QWHCGFSZSA-N 1 3 281.404 -1.604 20 0 CAADHO C[NH2+]C[C@@H](O)CN(C)C(=O)CNC[C@@H]1CCCO1 ZINC001344385861 885939657 /nfs/dbraw/zinc/93/96/57/885939657.db2.gz BPDLJQQDFCUVSJ-MNOVXSKESA-N 1 3 259.350 -1.206 20 0 CAADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCCO1 ZINC001345897066 885972877 /nfs/dbraw/zinc/97/28/77/885972877.db2.gz SGDPFKCLDYVCNC-WDEREUQCSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CNCCO2)CCCO1 ZINC001345897064 885974810 /nfs/dbraw/zinc/97/48/10/885974810.db2.gz SGDPFKCLDYVCNC-MNOVXSKESA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC001347062200 886023920 /nfs/dbraw/zinc/02/39/20/886023920.db2.gz YSINIWLYSQBBSA-ZETCQYMHSA-N 1 3 266.305 -1.198 20 0 CAADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC001349386979 886126346 /nfs/dbraw/zinc/12/63/46/886126346.db2.gz ZJWAXCZMLOCFLA-SECBINFHSA-N 1 3 254.334 -1.209 20 0 CAADHO CO[C@@H](CN)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001349816676 886150432 /nfs/dbraw/zinc/15/04/32/886150432.db2.gz QMFJOFISQHRCKH-QWRGUYRKSA-N 1 3 256.350 -1.534 20 0 CAADHO C[NH2+]CCOCCN(C)CC(=O)N1CCNCC1 ZINC001351680325 886223193 /nfs/dbraw/zinc/22/31/93/886223193.db2.gz VDXUPZOTOJTZGY-UHFFFAOYSA-N 1 3 258.366 -1.414 20 0 CAADHO C[NH2+]C[C@@H](C)CNS(=O)(=O)N1CCNCC1 ZINC001354183249 886301182 /nfs/dbraw/zinc/30/11/82/886301182.db2.gz BCDKVXNVRCIYFQ-SECBINFHSA-N 1 3 250.368 -1.419 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356371427 886362856 /nfs/dbraw/zinc/36/28/56/886362856.db2.gz UGKXTWQNUPWCDF-BSJXLVFVSA-N 1 3 268.361 -1.238 20 0 CAADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCN(C)CCOC ZINC001357391676 886403900 /nfs/dbraw/zinc/40/39/00/886403900.db2.gz KZTAOFUVCFWJHU-QWRGUYRKSA-N 1 3 261.366 -1.103 20 0 CAADHO O=C(CN1CCC(CO)CC1)N1CCNCC[NH2+]CC1 ZINC001358223437 886420263 /nfs/dbraw/zinc/42/02/63/886420263.db2.gz JDDIYZMJQPZVRJ-UHFFFAOYSA-N 1 3 284.404 -1.288 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367587117 887402885 /nfs/dbraw/zinc/40/28/85/887402885.db2.gz KAPDKTLCFRQUAR-PWSUYJOCSA-N 1 3 288.392 -1.615 20 0 CAADHO C[C@@H](NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611358 887409820 /nfs/dbraw/zinc/40/98/20/887409820.db2.gz WHOHARAMUMSQCG-MNOVXSKESA-N 1 3 298.387 -1.445 20 0 CAADHO C[C@H](NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611360 887409900 /nfs/dbraw/zinc/40/99/00/887409900.db2.gz WHOHARAMUMSQCG-WDEREUQCSA-N 1 3 298.387 -1.445 20 0 CAADHO CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624530 887413388 /nfs/dbraw/zinc/41/33/88/887413388.db2.gz RALVKZXKMNRRRU-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001367631633 887416479 /nfs/dbraw/zinc/41/64/79/887416479.db2.gz QKYAGOWPLJMINN-LLVKDONJSA-N 1 3 286.376 -1.586 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367755889 887430027 /nfs/dbraw/zinc/43/00/27/887430027.db2.gz ZNCQSEIUUFWWCN-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001367756208 887430944 /nfs/dbraw/zinc/43/09/44/887430944.db2.gz BWHRBGMWABZVCI-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001368106544 887452464 /nfs/dbraw/zinc/45/24/64/887452464.db2.gz ICKFGCZOIVYFPN-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001368503296 887491352 /nfs/dbraw/zinc/49/13/52/887491352.db2.gz GCYZLMKCCCQDOR-LBPRGKRZSA-N 1 3 298.387 -1.370 20 0 CAADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679047 887498279 /nfs/dbraw/zinc/49/82/79/887498279.db2.gz OHNYDXGEZBATPR-NSHDSACASA-N 1 3 298.387 -1.491 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)C1 ZINC001368782070 887499764 /nfs/dbraw/zinc/49/97/64/887499764.db2.gz ZOETVPXTSZOAGA-GFCCVEGCSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)C1 ZINC001368782070 887499751 /nfs/dbraw/zinc/49/97/51/887499751.db2.gz ZOETVPXTSZOAGA-GFCCVEGCSA-N 1 3 285.388 -1.127 20 0 CAADHO C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391526 887566214 /nfs/dbraw/zinc/56/62/14/887566214.db2.gz MHDAHTRXHQBWMV-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369390265 887566746 /nfs/dbraw/zinc/56/67/46/887566746.db2.gz ZZGLRBFEDNXCLR-VXGBXAGGSA-N 1 3 291.367 -1.009 20 0 CAADHO C[C@H](NC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482933 887578392 /nfs/dbraw/zinc/57/83/92/887578392.db2.gz KNZIEBKULRAKEZ-QWRGUYRKSA-N 1 3 298.387 -1.635 20 0 CAADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482926 887579133 /nfs/dbraw/zinc/57/91/33/887579133.db2.gz KNZIEBKULRAKEZ-GHMZBOCLSA-N 1 3 298.387 -1.635 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001369490852 887579326 /nfs/dbraw/zinc/57/93/26/887579326.db2.gz QNWVSLXIDGEAQR-NSHDSACASA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001369476185 887579502 /nfs/dbraw/zinc/57/95/02/887579502.db2.gz ZILOPAZLYPCVPR-GMTAPVOTSA-N 1 3 286.376 -1.779 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001370408913 887605867 /nfs/dbraw/zinc/60/58/67/887605867.db2.gz PNROHNFLBDHSQH-UWVGGRQHSA-N 1 3 297.359 -1.677 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001370408913 887605872 /nfs/dbraw/zinc/60/58/72/887605872.db2.gz PNROHNFLBDHSQH-UWVGGRQHSA-N 1 3 297.359 -1.677 20 0 CAADHO NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001370409601 887607840 /nfs/dbraw/zinc/60/78/40/887607840.db2.gz VVTOCIIZFWEKGB-JTQLQIEISA-N 1 3 297.359 -1.532 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371533269 887668962 /nfs/dbraw/zinc/66/89/62/887668962.db2.gz WLCNZYNLKSFVBN-VIFPVBQESA-N 1 3 285.348 -1.677 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001374619511 887816902 /nfs/dbraw/zinc/81/69/02/887816902.db2.gz YIUGYUZIQYNCDU-GHMZBOCLSA-N 1 3 273.377 -1.082 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374621085 887817362 /nfs/dbraw/zinc/81/73/62/887817362.db2.gz ARDLKMDIAAUCIH-NSHDSACASA-N 1 3 298.387 -1.573 20 0 CAADHO Cn1cc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374642415 887821022 /nfs/dbraw/zinc/82/10/22/887821022.db2.gz NQNRZDOGQZFBIN-GFCCVEGCSA-N 1 3 283.376 -1.062 20 0 CAADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+](C)C ZINC001374645939 887822926 /nfs/dbraw/zinc/82/29/26/887822926.db2.gz KQGTWQPSWOERPL-MWLCHTKSSA-N 1 3 274.365 -1.875 20 0 CAADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+](C)C ZINC001374645938 887823252 /nfs/dbraw/zinc/82/32/52/887823252.db2.gz KQGTWQPSWOERPL-GXSJLCMTSA-N 1 3 274.365 -1.875 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001374650592 887824227 /nfs/dbraw/zinc/82/42/27/887824227.db2.gz FIDJMJJOWJAQFG-GHMZBOCLSA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001374650606 887825108 /nfs/dbraw/zinc/82/51/08/887825108.db2.gz FIDJMJJOWJAQFG-WDEREUQCSA-N 1 3 286.376 -1.859 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001374961910 887854949 /nfs/dbraw/zinc/85/49/49/887854949.db2.gz NKANZSWPMNKXOA-VIFPVBQESA-N 1 3 297.359 -1.629 20 0 CAADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001374930096 887855657 /nfs/dbraw/zinc/85/56/57/887855657.db2.gz HKWSRFQLHORBST-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001374930098 887856790 /nfs/dbraw/zinc/85/67/90/887856790.db2.gz HKWSRFQLHORBST-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001376100074 887902811 /nfs/dbraw/zinc/90/28/11/887902811.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 1 3 271.361 -1.517 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001376100074 887902816 /nfs/dbraw/zinc/90/28/16/887902816.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 1 3 271.361 -1.517 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001376843411 887964442 /nfs/dbraw/zinc/96/44/42/887964442.db2.gz MPGQCFQHYSFQOS-NEPJUHHUSA-N 1 3 298.387 -1.356 20 0 CAADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377259923 887987161 /nfs/dbraw/zinc/98/71/61/887987161.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 1 3 273.377 -1.007 20 0 CAADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377259923 887987168 /nfs/dbraw/zinc/98/71/68/887987168.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 1 3 273.377 -1.007 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001379238429 888112542 /nfs/dbraw/zinc/11/25/42/888112542.db2.gz KZPLBYMKXDHXPW-SNVBAGLBSA-N 1 3 274.365 -1.907 20 0 CAADHO CN1CC[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239174 888110778 /nfs/dbraw/zinc/11/07/78/888110778.db2.gz GJGZAKZXKUGQKM-QWRGUYRKSA-N 1 3 286.376 -1.765 20 0 CAADHO CN1CC[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239179 888112490 /nfs/dbraw/zinc/11/24/90/888112490.db2.gz GJGZAKZXKUGQKM-WDEREUQCSA-N 1 3 286.376 -1.765 20 0 CAADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001379259106 888114395 /nfs/dbraw/zinc/11/43/95/888114395.db2.gz OAIPWCZTAILTNT-VHSXEESVSA-N 1 3 274.365 -1.861 20 0 CAADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001379259104 888114672 /nfs/dbraw/zinc/11/46/72/888114672.db2.gz OAIPWCZTAILTNT-UWVGGRQHSA-N 1 3 274.365 -1.861 20 0 CAADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413659 888140339 /nfs/dbraw/zinc/14/03/39/888140339.db2.gz QDTSDCWWNHZJSF-NWDGAFQWSA-N 1 3 273.377 -1.080 20 0 CAADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413663 888140455 /nfs/dbraw/zinc/14/04/55/888140455.db2.gz QDTSDCWWNHZJSF-VXGBXAGGSA-N 1 3 273.377 -1.080 20 0 CAADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409755 888140544 /nfs/dbraw/zinc/14/05/44/888140544.db2.gz XFYGRVIEFLBZJM-RYUDHWBXSA-N 1 3 273.377 -1.082 20 0 CAADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409751 888140777 /nfs/dbraw/zinc/14/07/77/888140777.db2.gz XFYGRVIEFLBZJM-NWDGAFQWSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001379412893 888140782 /nfs/dbraw/zinc/14/07/82/888140782.db2.gz QOQCKIOKILLPBZ-MNOVXSKESA-N 1 3 273.377 -1.082 20 0 CAADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380921914 888234851 /nfs/dbraw/zinc/23/48/51/888234851.db2.gz WGEJJBCEJJGCCA-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCn2cncn2)C1 ZINC001382274204 888323300 /nfs/dbraw/zinc/32/33/00/888323300.db2.gz NZCDIMVKETWADV-RYUDHWBXSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCn2cncn2)C1 ZINC001382274204 888323309 /nfs/dbraw/zinc/32/33/09/888323309.db2.gz NZCDIMVKETWADV-RYUDHWBXSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCn2cncn2)C1 ZINC001382274207 888324087 /nfs/dbraw/zinc/32/40/87/888324087.db2.gz NZCDIMVKETWADV-VXGBXAGGSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCn2cncn2)C1 ZINC001382274207 888324100 /nfs/dbraw/zinc/32/41/00/888324100.db2.gz NZCDIMVKETWADV-VXGBXAGGSA-N 1 3 296.375 -1.704 20 0 CAADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501181 888584614 /nfs/dbraw/zinc/58/46/14/888584614.db2.gz ALGNNFIYIJCEFX-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501181 888584618 /nfs/dbraw/zinc/58/46/18/888584618.db2.gz ALGNNFIYIJCEFX-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+](C)C ZINC001392421068 888701871 /nfs/dbraw/zinc/70/18/71/888701871.db2.gz KQGTWQPSWOERPL-ONGXEEELSA-N 1 3 274.365 -1.875 20 0 CAADHO CCNC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392426153 888705696 /nfs/dbraw/zinc/70/56/96/888705696.db2.gz RAQBFMHSHKDXJU-NSHDSACASA-N 1 3 298.387 -1.715 20 0 CAADHO CCNC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392426150 888706202 /nfs/dbraw/zinc/70/62/02/888706202.db2.gz RAQBFMHSHKDXJU-LLVKDONJSA-N 1 3 298.387 -1.715 20 0 CAADHO O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422404 888707124 /nfs/dbraw/zinc/70/71/24/888707124.db2.gz KHTHKQPNBJLYBZ-WDEREUQCSA-N 1 3 296.371 -1.963 20 0 CAADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)N(C)C ZINC001393284900 888771828 /nfs/dbraw/zinc/77/18/28/888771828.db2.gz ONSNNKMJYXAYKL-AAEUAGOBSA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N(C)C ZINC001393284900 888771842 /nfs/dbraw/zinc/77/18/42/888771842.db2.gz ONSNNKMJYXAYKL-AAEUAGOBSA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N(C)C ZINC001393284906 888772435 /nfs/dbraw/zinc/77/24/35/888772435.db2.gz ONSNNKMJYXAYKL-WCQYABFASA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N(C)C ZINC001393284906 888772449 /nfs/dbraw/zinc/77/24/49/888772449.db2.gz ONSNNKMJYXAYKL-WCQYABFASA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748332 888886825 /nfs/dbraw/zinc/88/68/25/888886825.db2.gz SHKBNNNEVVEDSM-JTQLQIEISA-N 1 3 286.376 -1.778 20 0 CAADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001394742563 888887689 /nfs/dbraw/zinc/88/76/89/888887689.db2.gz LEGZUMMJXMSGAI-NXEZZACHSA-N 1 3 274.365 -1.779 20 0 CAADHO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CN(C)C1CCC1 ZINC001394743505 888887763 /nfs/dbraw/zinc/88/77/63/888887763.db2.gz RWCBZMDPQPPJRJ-LLVKDONJSA-N 1 3 286.376 -1.635 20 0 CAADHO C[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762703 888893855 /nfs/dbraw/zinc/89/38/55/888893855.db2.gz QJLJXKIEZITAFU-UWVGGRQHSA-N 1 3 274.365 -1.779 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001401204017 889132590 /nfs/dbraw/zinc/13/25/90/889132590.db2.gz QGKIWLAWQNJFDZ-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401568171 889159879 /nfs/dbraw/zinc/15/98/79/889159879.db2.gz ZXJQEEJCAONSLZ-VHSXEESVSA-N 1 3 272.349 -2.107 20 0 CAADHO C[C@H](NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567117 889160902 /nfs/dbraw/zinc/16/09/02/889160902.db2.gz KHEVDIMRTULPSX-VHSXEESVSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@H](NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567110 889162247 /nfs/dbraw/zinc/16/22/47/889162247.db2.gz KHEVDIMRTULPSX-UWVGGRQHSA-N 1 3 286.376 -1.731 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403848330 889374434 /nfs/dbraw/zinc/37/44/34/889374434.db2.gz VUFCURHKVQVXRF-VXGBXAGGSA-N 1 3 298.387 -1.778 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403848313 889375130 /nfs/dbraw/zinc/37/51/30/889375130.db2.gz VUFCURHKVQVXRF-NEPJUHHUSA-N 1 3 298.387 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403874973 889378683 /nfs/dbraw/zinc/37/86/83/889378683.db2.gz HZPVVWMWSHOBCJ-ZJUUUORDSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403874973 889378694 /nfs/dbraw/zinc/37/86/94/889378694.db2.gz HZPVVWMWSHOBCJ-ZJUUUORDSA-N 1 3 272.349 -2.168 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406214403 889485805 /nfs/dbraw/zinc/48/58/05/889485805.db2.gz LFLLCOBBCKXWBN-GMTAPVOTSA-N 1 3 286.376 -1.861 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406214403 889485814 /nfs/dbraw/zinc/48/58/14/889485814.db2.gz LFLLCOBBCKXWBN-GMTAPVOTSA-N 1 3 286.376 -1.861 20 0 CAADHO CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246400 889495232 /nfs/dbraw/zinc/49/52/32/889495232.db2.gz PHIFGPXYBKQLRD-RYUDHWBXSA-N 1 3 298.387 -1.574 20 0 CAADHO CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246423 889496230 /nfs/dbraw/zinc/49/62/30/889496230.db2.gz PHIFGPXYBKQLRD-VXGBXAGGSA-N 1 3 298.387 -1.574 20 0 CAADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406254278 889499691 /nfs/dbraw/zinc/49/96/91/889499691.db2.gz XEWHXHOODCZQJF-QWRGUYRKSA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406253203 889499592 /nfs/dbraw/zinc/49/95/92/889499592.db2.gz XEWHXHOODCZQJF-MNOVXSKESA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406253203 889499599 /nfs/dbraw/zinc/49/95/99/889499599.db2.gz XEWHXHOODCZQJF-MNOVXSKESA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406254278 889499680 /nfs/dbraw/zinc/49/96/80/889499680.db2.gz XEWHXHOODCZQJF-QWRGUYRKSA-N 1 3 286.376 -1.587 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001406261892 889501007 /nfs/dbraw/zinc/50/10/07/889501007.db2.gz AOKLFSZXRXSMBF-SECBINFHSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001406262656 889502291 /nfs/dbraw/zinc/50/22/91/889502291.db2.gz XCQTUZYUBNEJHN-VXGBXAGGSA-N 1 3 298.387 -1.717 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001406262647 889503659 /nfs/dbraw/zinc/50/36/59/889503659.db2.gz XCQTUZYUBNEJHN-RYUDHWBXSA-N 1 3 298.387 -1.717 20 0 CAADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001406275516 889507285 /nfs/dbraw/zinc/50/72/85/889507285.db2.gz CGDVUQVGHCGSCZ-QWHCGFSZSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001406275516 889507292 /nfs/dbraw/zinc/50/72/92/889507292.db2.gz CGDVUQVGHCGSCZ-QWHCGFSZSA-N 1 3 295.387 -1.062 20 0 CAADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001406548070 889528877 /nfs/dbraw/zinc/52/88/77/889528877.db2.gz XACPDSYBDJLYML-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO O=C(NC[C@]1(O)CCN(CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373909 889564197 /nfs/dbraw/zinc/56/41/97/889564197.db2.gz QCDJAQQNIHYXCY-CQSZACIVSA-N 1 3 283.372 -1.373 20 0 CAADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410646817 889695420 /nfs/dbraw/zinc/69/54/20/889695420.db2.gz DEHFTWRPICUBSO-WDEREUQCSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844097 889720866 /nfs/dbraw/zinc/72/08/66/889720866.db2.gz CYZKHMMERGWWGE-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069123 889730652 /nfs/dbraw/zinc/73/06/52/889730652.db2.gz CNEFBBGIAHWSCG-GHMZBOCLSA-N 1 3 286.376 -1.765 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411154026 889739480 /nfs/dbraw/zinc/73/94/80/889739480.db2.gz YYGOZHNKNCEDFZ-WDEREUQCSA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411154026 889739492 /nfs/dbraw/zinc/73/94/92/889739492.db2.gz YYGOZHNKNCEDFZ-WDEREUQCSA-N 1 3 286.376 -1.907 20 0 CAADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417641716 890149754 /nfs/dbraw/zinc/14/97/54/890149754.db2.gz IACIYHXJCXPCRA-SNVBAGLBSA-N 1 3 295.343 -1.689 20 0 CAADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417641716 890149764 /nfs/dbraw/zinc/14/97/64/890149764.db2.gz IACIYHXJCXPCRA-SNVBAGLBSA-N 1 3 295.343 -1.689 20 0 CAADHO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001417641657 890150122 /nfs/dbraw/zinc/15/01/22/890150122.db2.gz GHRRTMMUZQYZHF-NSHDSACASA-N 1 3 299.375 -2.399 20 0 CAADHO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001417641657 890150130 /nfs/dbraw/zinc/15/01/30/890150130.db2.gz GHRRTMMUZQYZHF-NSHDSACASA-N 1 3 299.375 -2.399 20 0 CAADHO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001417641695 890150614 /nfs/dbraw/zinc/15/06/14/890150614.db2.gz HJDFZXIMWALKGZ-VIFPVBQESA-N 1 3 295.347 -2.261 20 0 CAADHO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001417641695 890150620 /nfs/dbraw/zinc/15/06/20/890150620.db2.gz HJDFZXIMWALKGZ-VIFPVBQESA-N 1 3 295.347 -2.261 20 0 CAADHO C[C@H](CNC(=O)Cn1nnc(N)n1)N1CC[NH+](C)CC1 ZINC001417636729 890150740 /nfs/dbraw/zinc/15/07/40/890150740.db2.gz RSQYBBLKELQSLM-SECBINFHSA-N 1 3 282.352 -1.993 20 0 CAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC001417647809 890150828 /nfs/dbraw/zinc/15/08/28/890150828.db2.gz XQZFQAOYECAUIU-VHSXEESVSA-N 1 3 272.349 -1.184 20 0 CAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC001417647809 890150832 /nfs/dbraw/zinc/15/08/32/890150832.db2.gz XQZFQAOYECAUIU-VHSXEESVSA-N 1 3 272.349 -1.184 20 0 CAADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418111459 890190625 /nfs/dbraw/zinc/19/06/25/890190625.db2.gz ATCAFHCZSQGWSS-AOOOYVTPSA-N 1 3 299.375 -1.242 20 0 CAADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(N)=O ZINC001418818538 890264291 /nfs/dbraw/zinc/26/42/91/890264291.db2.gz VHPSNZULCPDVSV-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419919112 890361668 /nfs/dbraw/zinc/36/16/68/890361668.db2.gz IASJNSQRZXTOIN-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419919112 890361677 /nfs/dbraw/zinc/36/16/77/890361677.db2.gz IASJNSQRZXTOIN-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419919105 890365507 /nfs/dbraw/zinc/36/55/07/890365507.db2.gz IASJNSQRZXTOIN-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419919105 890365520 /nfs/dbraw/zinc/36/55/20/890365520.db2.gz IASJNSQRZXTOIN-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001420137735 890398876 /nfs/dbraw/zinc/39/88/76/890398876.db2.gz KIKFPYSQWJXBAF-GXSJLCMTSA-N 1 3 286.376 -1.589 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420193040 890412064 /nfs/dbraw/zinc/41/20/64/890412064.db2.gz IFCCHGNFPOAUJH-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420193040 890412069 /nfs/dbraw/zinc/41/20/69/890412069.db2.gz IFCCHGNFPOAUJH-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001420215372 890417056 /nfs/dbraw/zinc/41/70/56/890417056.db2.gz ORISDOCPVLNYJF-GHMZBOCLSA-N 1 3 288.392 -1.472 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420336155 890430320 /nfs/dbraw/zinc/43/03/20/890430320.db2.gz ZNCQSEIUUFWWCN-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421184491 890491832 /nfs/dbraw/zinc/49/18/32/890491832.db2.gz COFLHCHGJWJNFD-CHWSQXEVSA-N 1 3 285.388 -1.007 20 0 CAADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421184491 890491842 /nfs/dbraw/zinc/49/18/42/890491842.db2.gz COFLHCHGJWJNFD-CHWSQXEVSA-N 1 3 285.388 -1.007 20 0 CAADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422319523 890577316 /nfs/dbraw/zinc/57/73/16/890577316.db2.gz LACYHIBNIFZZPC-QWRGUYRKSA-N 1 3 286.376 -1.587 20 0 CAADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422319523 890577306 /nfs/dbraw/zinc/57/73/06/890577306.db2.gz LACYHIBNIFZZPC-QWRGUYRKSA-N 1 3 286.376 -1.587 20 0 CAADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422319515 890578389 /nfs/dbraw/zinc/57/83/89/890578389.db2.gz LACYHIBNIFZZPC-MNOVXSKESA-N 1 3 286.376 -1.587 20 0 CAADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422319515 890578396 /nfs/dbraw/zinc/57/83/96/890578396.db2.gz LACYHIBNIFZZPC-MNOVXSKESA-N 1 3 286.376 -1.587 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422393782 890586553 /nfs/dbraw/zinc/58/65/53/890586553.db2.gz DUXRSCCPORZYRU-LLVKDONJSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001422400876 890589007 /nfs/dbraw/zinc/58/90/07/890589007.db2.gz PSZACIDSZALDSO-VHSXEESVSA-N 1 3 272.349 -2.120 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001422400876 890589015 /nfs/dbraw/zinc/58/90/15/890589015.db2.gz PSZACIDSZALDSO-VHSXEESVSA-N 1 3 272.349 -2.120 20 0 CAADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422616218 890603017 /nfs/dbraw/zinc/60/30/17/890603017.db2.gz MGKKEGTXFRXITQ-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422616218 890603022 /nfs/dbraw/zinc/60/30/22/890603022.db2.gz MGKKEGTXFRXITQ-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422616222 890604463 /nfs/dbraw/zinc/60/44/63/890604463.db2.gz MGKKEGTXFRXITQ-ZJUUUORDSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422616222 890604470 /nfs/dbraw/zinc/60/44/70/890604470.db2.gz MGKKEGTXFRXITQ-ZJUUUORDSA-N 1 3 299.375 -1.512 20 0 CAADHO O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768412 890693479 /nfs/dbraw/zinc/69/34/79/890693479.db2.gz TYMXWNLUCMLZDF-DZGCQCFKSA-N 1 3 297.399 -1.127 20 0 CAADHO CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425772755 890817613 /nfs/dbraw/zinc/81/76/13/890817613.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001436928288 891159727 /nfs/dbraw/zinc/15/97/27/891159727.db2.gz XLSHZFKRCFUEFP-MGCOHNPYSA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(N)=O ZINC001437196923 891167596 /nfs/dbraw/zinc/16/75/96/891167596.db2.gz FYXBVJBTASRZFW-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)NC(N)=O ZINC001437200141 891169380 /nfs/dbraw/zinc/16/93/80/891169380.db2.gz WLUKZRNHGXGFTR-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001437233894 891171590 /nfs/dbraw/zinc/17/15/90/891171590.db2.gz GXXLDUMWNFJIOT-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001438997794 891260431 /nfs/dbraw/zinc/26/04/31/891260431.db2.gz IDRPKWVKHYNKNR-WDEREUQCSA-N 1 3 288.392 -1.519 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439006441 891262842 /nfs/dbraw/zinc/26/28/42/891262842.db2.gz ZUJVCHBHZGWOEI-SNVBAGLBSA-N 1 3 284.360 -1.833 20 0 CAADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001439165185 891289896 /nfs/dbraw/zinc/28/98/96/891289896.db2.gz BWHRBGMWABZVCI-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001439215978 891292311 /nfs/dbraw/zinc/29/23/11/891292311.db2.gz TUTJECDIDZERHG-VIFPVBQESA-N 1 3 299.375 -1.240 20 0 CAADHO C[NH+](C)CCC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440210680 891361181 /nfs/dbraw/zinc/36/11/81/891361181.db2.gz XQBIQNYNBDARLI-LLVKDONJSA-N 1 3 286.376 -1.763 20 0 CAADHO C[C@@H](NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001440204865 891361402 /nfs/dbraw/zinc/36/14/02/891361402.db2.gz JNHGXHDAYQFYKO-LLVKDONJSA-N 1 3 298.387 -1.634 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001440378734 891368614 /nfs/dbraw/zinc/36/86/14/891368614.db2.gz VAHPJYFJRAPBIW-VXGBXAGGSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001440378734 891368631 /nfs/dbraw/zinc/36/86/31/891368631.db2.gz VAHPJYFJRAPBIW-VXGBXAGGSA-N 1 3 298.387 -1.370 20 0 CAADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001441949740 891466284 /nfs/dbraw/zinc/46/62/84/891466284.db2.gz ZLQIXPUZCCEYLZ-SECBINFHSA-N 1 3 287.364 -1.512 20 0 CAADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942485 891466417 /nfs/dbraw/zinc/46/64/17/891466417.db2.gz CJUROZJICNZOMF-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001442036494 891475493 /nfs/dbraw/zinc/47/54/93/891475493.db2.gz HXAOIRZWPJNBKV-SNVBAGLBSA-N 1 3 284.360 -2.024 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445176677 891613055 /nfs/dbraw/zinc/61/30/55/891613055.db2.gz GSNSJGAUBBGXKL-WDEREUQCSA-N 1 3 284.360 -2.120 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445176661 891613109 /nfs/dbraw/zinc/61/31/09/891613109.db2.gz GSNSJGAUBBGXKL-QWRGUYRKSA-N 1 3 284.360 -2.120 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001445181559 891613822 /nfs/dbraw/zinc/61/38/22/891613822.db2.gz KMQMNMXNFXFHIV-OUAUKWLOSA-N 1 3 286.376 -1.731 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001445181559 891613825 /nfs/dbraw/zinc/61/38/25/891613825.db2.gz KMQMNMXNFXFHIV-OUAUKWLOSA-N 1 3 286.376 -1.731 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001445225001 891620617 /nfs/dbraw/zinc/62/06/17/891620617.db2.gz LWQLKSNZKLJYEO-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001446770740 891690941 /nfs/dbraw/zinc/69/09/41/891690941.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 1 3 285.388 -1.128 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001446770740 891690950 /nfs/dbraw/zinc/69/09/50/891690950.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 1 3 285.388 -1.128 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446811574 891693258 /nfs/dbraw/zinc/69/32/58/891693258.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 1 3 273.377 -1.127 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446811574 891693264 /nfs/dbraw/zinc/69/32/64/891693264.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 1 3 273.377 -1.127 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449144399 891834585 /nfs/dbraw/zinc/83/45/85/891834585.db2.gz HEJCIKVAYYQYCS-LLVKDONJSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166357 891838167 /nfs/dbraw/zinc/83/81/67/891838167.db2.gz WCWMZJUKUBBQBJ-MNOVXSKESA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166357 891838172 /nfs/dbraw/zinc/83/81/72/891838172.db2.gz WCWMZJUKUBBQBJ-MNOVXSKESA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163360 891838384 /nfs/dbraw/zinc/83/83/84/891838384.db2.gz UNHZZTSHSDRMSW-MNOVXSKESA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166358 891838753 /nfs/dbraw/zinc/83/87/53/891838753.db2.gz WCWMZJUKUBBQBJ-QWRGUYRKSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166358 891838761 /nfs/dbraw/zinc/83/87/61/891838761.db2.gz WCWMZJUKUBBQBJ-QWRGUYRKSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166359 891839434 /nfs/dbraw/zinc/83/94/34/891839434.db2.gz WCWMZJUKUBBQBJ-WDEREUQCSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166359 891839450 /nfs/dbraw/zinc/83/94/50/891839450.db2.gz WCWMZJUKUBBQBJ-WDEREUQCSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449249323 891843751 /nfs/dbraw/zinc/84/37/51/891843751.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 1 3 273.377 -1.319 20 0 CAADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449249323 891843771 /nfs/dbraw/zinc/84/37/71/891843771.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 1 3 273.377 -1.319 20 0 CAADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480116246 892500416 /nfs/dbraw/zinc/50/04/16/892500416.db2.gz QAEGXHDPIQLNHE-JTQLQIEISA-N 1 3 256.350 -1.125 20 0 CAADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NCC(N)=O ZINC001480463784 892522861 /nfs/dbraw/zinc/52/28/61/892522861.db2.gz ZATGFXXVAWMWCR-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001482737491 892679760 /nfs/dbraw/zinc/67/97/60/892679760.db2.gz NTNCEWPJMZAWDT-ZYHUDNBSSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767482 892694414 /nfs/dbraw/zinc/69/44/14/892694414.db2.gz NNAUXWQSHDOCJA-UWVGGRQHSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001482768577 892694546 /nfs/dbraw/zinc/69/45/46/892694546.db2.gz ZFFDJZRWGMHTQZ-SNVBAGLBSA-N 1 3 272.349 -2.120 20 0 CAADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767479 892695819 /nfs/dbraw/zinc/69/58/19/892695819.db2.gz NNAUXWQSHDOCJA-NXEZZACHSA-N 1 3 272.349 -2.120 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482767514 892695967 /nfs/dbraw/zinc/69/59/67/892695967.db2.gz RXMKFJDBNXRRPC-NSHDSACASA-N 1 3 286.376 -1.859 20 0 CAADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001482785869 892700576 /nfs/dbraw/zinc/70/05/76/892700576.db2.gz NMCCWGFGQURZLD-RKDXNWHRSA-N 1 3 260.338 -2.121 20 0 CAADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001482785865 892700933 /nfs/dbraw/zinc/70/09/33/892700933.db2.gz NMCCWGFGQURZLD-DTWKUNHWSA-N 1 3 260.338 -2.121 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482791142 892704788 /nfs/dbraw/zinc/70/47/88/892704788.db2.gz QEDNKTPPSUMHGG-VHSXEESVSA-N 1 3 272.349 -2.249 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482791142 892704792 /nfs/dbraw/zinc/70/47/92/892704792.db2.gz QEDNKTPPSUMHGG-VHSXEESVSA-N 1 3 272.349 -2.249 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266418 892751159 /nfs/dbraw/zinc/75/11/59/892751159.db2.gz LNHMGCZUZQUMIT-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298532 893038822 /nfs/dbraw/zinc/03/88/22/893038822.db2.gz QSRUTTSLFZXQNF-GHMZBOCLSA-N 1 3 288.392 -1.519 20 0 CAADHO CNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643450 893303668 /nfs/dbraw/zinc/30/36/68/893303668.db2.gz ZUYRYSAETWXXAM-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491673856 893309208 /nfs/dbraw/zinc/30/92/08/893309208.db2.gz PNYVRTVAZNSBDP-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491673856 893309223 /nfs/dbraw/zinc/30/92/23/893309223.db2.gz PNYVRTVAZNSBDP-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCN1C ZINC001493499039 893399370 /nfs/dbraw/zinc/39/93/70/893399370.db2.gz GGHOULRSJSIMDG-MNOVXSKESA-N 1 3 296.371 -1.066 20 0 CAADHO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCN1C ZINC001493499043 893401161 /nfs/dbraw/zinc/40/11/61/893401161.db2.gz GGHOULRSJSIMDG-WDEREUQCSA-N 1 3 296.371 -1.066 20 0 CAADHO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCCN1C ZINC001493600997 893408847 /nfs/dbraw/zinc/40/88/47/893408847.db2.gz UFZBUTZQEOEQCT-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229459 893514147 /nfs/dbraw/zinc/51/41/47/893514147.db2.gz IEGWRTPXXVOSMU-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496229459 893514165 /nfs/dbraw/zinc/51/41/65/893514165.db2.gz IEGWRTPXXVOSMU-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001496995495 893577702 /nfs/dbraw/zinc/57/77/02/893577702.db2.gz JQJXXHXEJNJRTH-JTQLQIEISA-N 1 3 286.376 -1.717 20 0 CAADHO C[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048157 893591139 /nfs/dbraw/zinc/59/11/39/893591139.db2.gz PZNKXYMTMATGPT-WDEREUQCSA-N 1 3 288.392 -1.519 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497091013 893602238 /nfs/dbraw/zinc/60/22/38/893602238.db2.gz CXCOZJIHBFCIRB-WDEREUQCSA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497091013 893602243 /nfs/dbraw/zinc/60/22/43/893602243.db2.gz CXCOZJIHBFCIRB-WDEREUQCSA-N 1 3 286.376 -1.859 20 0 CAADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001497113681 893605170 /nfs/dbraw/zinc/60/51/70/893605170.db2.gz LMBATSLMZVLCJQ-GHMZBOCLSA-N 1 3 296.375 -1.368 20 0 CAADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001497113681 893605177 /nfs/dbraw/zinc/60/51/77/893605177.db2.gz LMBATSLMZVLCJQ-GHMZBOCLSA-N 1 3 296.375 -1.368 20 0 CAADHO CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092327 893605606 /nfs/dbraw/zinc/60/56/06/893605606.db2.gz QLYIWMWZUQXOEI-WDEREUQCSA-N 1 3 298.387 -1.717 20 0 CAADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001497113683 893605974 /nfs/dbraw/zinc/60/59/74/893605974.db2.gz LMBATSLMZVLCJQ-QWRGUYRKSA-N 1 3 296.375 -1.368 20 0 CAADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001497113683 893605983 /nfs/dbraw/zinc/60/59/83/893605983.db2.gz LMBATSLMZVLCJQ-QWRGUYRKSA-N 1 3 296.375 -1.368 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001497828119 893638890 /nfs/dbraw/zinc/63/88/90/893638890.db2.gz TUTJECDIDZERHG-SECBINFHSA-N 1 3 299.375 -1.240 20 0 CAADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497984121 893644605 /nfs/dbraw/zinc/64/46/05/893644605.db2.gz UXVJOZMULIZGFC-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497984121 893644609 /nfs/dbraw/zinc/64/46/09/893644609.db2.gz UXVJOZMULIZGFC-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497984119 893645986 /nfs/dbraw/zinc/64/59/86/893645986.db2.gz UXVJOZMULIZGFC-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497984119 893645995 /nfs/dbraw/zinc/64/59/95/893645995.db2.gz UXVJOZMULIZGFC-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001498860602 893694050 /nfs/dbraw/zinc/69/40/50/893694050.db2.gz AKYUKXCSFWRJHH-WDEREUQCSA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001498860602 893694055 /nfs/dbraw/zinc/69/40/55/893694055.db2.gz AKYUKXCSFWRJHH-WDEREUQCSA-N 1 3 268.361 -1.092 20 0 CAADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500754132 893751415 /nfs/dbraw/zinc/75/14/15/893751415.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 1 3 273.377 -1.127 20 0 CAADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500754132 893751427 /nfs/dbraw/zinc/75/14/27/893751427.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 1 3 273.377 -1.127 20 0 CAADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500754131 893752503 /nfs/dbraw/zinc/75/25/03/893752503.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 1 3 273.377 -1.127 20 0 CAADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500754131 893752512 /nfs/dbraw/zinc/75/25/12/893752512.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 1 3 273.377 -1.127 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500751738 893753333 /nfs/dbraw/zinc/75/33/33/893753333.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500751738 893753343 /nfs/dbraw/zinc/75/33/43/893753343.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001501511239 893813818 /nfs/dbraw/zinc/81/38/18/893813818.db2.gz HLHGDQYBZFELJT-NEPJUHHUSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001501511239 893813839 /nfs/dbraw/zinc/81/38/39/893813839.db2.gz HLHGDQYBZFELJT-NEPJUHHUSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001501511240 893814381 /nfs/dbraw/zinc/81/43/81/893814381.db2.gz HLHGDQYBZFELJT-NWDGAFQWSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001501511240 893814396 /nfs/dbraw/zinc/81/43/96/893814396.db2.gz HLHGDQYBZFELJT-NWDGAFQWSA-N 1 3 298.387 -1.763 20 0 CAADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001502092099 893841940 /nfs/dbraw/zinc/84/19/40/893841940.db2.gz ICYHPRYBAFLSML-VXGBXAGGSA-N 1 3 298.387 -1.499 20 0 CAADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092099 893841959 /nfs/dbraw/zinc/84/19/59/893841959.db2.gz ICYHPRYBAFLSML-VXGBXAGGSA-N 1 3 298.387 -1.499 20 0 CAADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505685119 893891333 /nfs/dbraw/zinc/89/13/33/893891333.db2.gz FBEUMANYGRELOL-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](NCC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846809 893945716 /nfs/dbraw/zinc/94/57/16/893945716.db2.gz ZXGZJAJTBZNHJW-WDEREUQCSA-N 1 3 286.376 -1.371 20 0 CAADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001507154471 893963141 /nfs/dbraw/zinc/96/31/41/893963141.db2.gz NZZBCSMTOBELRY-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)N(C)C ZINC001507541087 894066973 /nfs/dbraw/zinc/06/69/73/894066973.db2.gz HZHYAOJRUPCORZ-NEPJUHHUSA-N 1 3 275.393 -1.026 20 0 CAADHO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001508172159 894086192 /nfs/dbraw/zinc/08/61/92/894086192.db2.gz CUXHQSPRYANOOR-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001521971039 894214102 /nfs/dbraw/zinc/21/41/02/894214102.db2.gz CLLNXPYHXJSDRI-JQWIXIFHSA-N 1 3 269.345 -1.262 20 0 CAADHO O=C(NC[C@H]1CNCCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548562439 894485717 /nfs/dbraw/zinc/48/57/17/894485717.db2.gz OTPUYZJMMRPVJM-ZWNOBZJWSA-N 1 3 282.344 -1.011 20 0 CAADHO CCO[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001548566565 894486544 /nfs/dbraw/zinc/48/65/44/894486544.db2.gz XBVIBFYJSOSRNV-GRYCIOLGSA-N 1 3 270.377 -1.288 20 0 CAADHO CCO[C@@H]1CN(C(=O)[C@H]2CNCCN2C)C[C@H]1C[NH3+] ZINC001548566567 894487300 /nfs/dbraw/zinc/48/73/00/894487300.db2.gz XBVIBFYJSOSRNV-IJLUTSLNSA-N 1 3 270.377 -1.288 20 0 CAADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573693 894488701 /nfs/dbraw/zinc/48/87/01/894488701.db2.gz VATPNTXYCZSKIT-KEPMVKOISA-N 1 3 271.361 -1.032 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574600 894489191 /nfs/dbraw/zinc/48/91/91/894489191.db2.gz NHDSKETVHBEGPX-RYUDHWBXSA-N 1 3 271.361 -1.062 20 0 CAADHO CCO[C@H]1C[C@](N)(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573694 894489338 /nfs/dbraw/zinc/48/93/38/894489338.db2.gz VATPNTXYCZSKIT-QYTUQVAYSA-N 1 3 271.361 -1.032 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548573095 894489587 /nfs/dbraw/zinc/48/95/87/894489587.db2.gz VJSLRJBFEHVYRU-AXFHLTTASA-N 1 3 284.360 -2.155 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044510 894507074 /nfs/dbraw/zinc/50/70/74/894507074.db2.gz SGNNUUSSSMLWDR-CHWSQXEVSA-N 1 3 282.388 -1.129 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044512 894507261 /nfs/dbraw/zinc/50/72/61/894507261.db2.gz SGNNUUSSSMLWDR-QWHCGFSZSA-N 1 3 282.388 -1.129 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549176896 894510222 /nfs/dbraw/zinc/51/02/22/894510222.db2.gz ZVXDOYLTNAERTL-AVGNSLFASA-N 1 3 298.387 -1.175 20 0 CAADHO NCC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729027 894521417 /nfs/dbraw/zinc/52/14/17/894521417.db2.gz XDRWYLFLFQBJPC-JOYOIKCWSA-N 1 3 254.334 -1.292 20 0 CAADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095110 894529067 /nfs/dbraw/zinc/52/90/67/894529067.db2.gz GHROINLZKNFKMG-JQWIXIFHSA-N 1 3 294.359 -1.254 20 0 CAADHO CO[C@H](CN)C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001550188576 894531381 /nfs/dbraw/zinc/53/13/81/894531381.db2.gz YTHINROHNSIKGL-GARJFASQSA-N 1 3 267.333 -1.353 20 0 CAADHO CO[C@H](CN)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001550188586 894532934 /nfs/dbraw/zinc/53/29/34/894532934.db2.gz YTHINROHNSIKGL-HBNTYKKESA-N 1 3 267.333 -1.353 20 0 CAADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCNC[C@H](O)C1 ZINC001550736341 894537726 /nfs/dbraw/zinc/53/77/26/894537726.db2.gz RDZMTYWSVLDMGC-WDEREUQCSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552091447 894543061 /nfs/dbraw/zinc/54/30/61/894543061.db2.gz YODTUYHLDZPQLF-UWVGGRQHSA-N 1 3 280.332 -1.469 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC001552212976 894550329 /nfs/dbraw/zinc/55/03/29/894550329.db2.gz MZSYMIHMUYKEJO-ICUOPCATSA-N 1 3 294.355 -2.007 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)n1 ZINC001552218834 894551615 /nfs/dbraw/zinc/55/16/15/894551615.db2.gz YCEDBMOSTFPUDA-ISVAXAHUSA-N 1 3 293.327 -1.507 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC001552217086 894551850 /nfs/dbraw/zinc/55/18/50/894551850.db2.gz ZXWKTWPMKKMKBS-MRVPVSSYSA-N 1 3 281.316 -1.507 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203865 894552245 /nfs/dbraw/zinc/55/22/45/894552245.db2.gz IOEFEFPTEZLJTM-JBLDHEPKSA-N 1 3 255.318 -1.673 20 0 CAADHO CN1CC[C@]2(C(=O)N3CCNCC3)C[NH2+]C[C@@H]2C1 ZINC001553348693 894561336 /nfs/dbraw/zinc/56/13/36/894561336.db2.gz LNDBAAULEKXZHX-YPMHNXCESA-N 1 3 252.362 -1.041 20 0 CAADHO CN1CC[C@@]2(C(=O)N3CCNCC3)C[NH2+]C[C@H]2C1 ZINC001553348691 894561982 /nfs/dbraw/zinc/56/19/82/894561982.db2.gz LNDBAAULEKXZHX-WCQYABFASA-N 1 3 252.362 -1.041 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553408011 894564267 /nfs/dbraw/zinc/56/42/67/894564267.db2.gz IWYJEQWUXDVFKJ-NAKRPEOUSA-N 1 3 255.318 -1.390 20 0 CAADHO CN(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1O ZINC001553416845 894564741 /nfs/dbraw/zinc/56/47/41/894564741.db2.gz CNNWVNVDSJTDHG-SVNGYHJRSA-N 1 3 269.345 -1.361 20 0 CAADHO C[C@H](CNC(=O)[C@H]1CNCCO1)C[NH+]1CCN(C)CC1 ZINC000431012286 230312119 /nfs/dbraw/zinc/31/21/19/230312119.db2.gz ABFJCIIYIHKION-CHWSQXEVSA-N 1 3 284.404 -1.026 20 0 CAADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCOC)CCN(C)C ZINC000423263825 529972044 /nfs/dbraw/zinc/97/20/44/529972044.db2.gz PBXHGLMMYAWPPU-UHFFFAOYSA-N 1 3 288.392 -1.299 20 0 CAADHO CC[NH+](CC)CCCNC(=O)C(=O)NC1CNC1 ZINC000574385863 335015086 /nfs/dbraw/zinc/01/50/86/335015086.db2.gz FSAPMXYMJYPOGV-UHFFFAOYSA-N 1 3 256.350 -1.078 20 0 CAADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000584052379 372813624 /nfs/dbraw/zinc/81/36/24/372813624.db2.gz HFWKCDSOVOQAPJ-WDEREUQCSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000584052376 372815281 /nfs/dbraw/zinc/81/52/81/372815281.db2.gz HFWKCDSOVOQAPJ-GHMZBOCLSA-N 1 3 257.334 -1.059 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642786002 372843449 /nfs/dbraw/zinc/84/34/49/372843449.db2.gz WMTKAKORMHBAHG-SNVBAGLBSA-N 1 3 266.345 -1.325 20 0 CAADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CNC1 ZINC000557250827 372850615 /nfs/dbraw/zinc/85/06/15/372850615.db2.gz GVWRQQOVQPQIER-SECBINFHSA-N 1 3 256.350 -1.079 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574414421 335018063 /nfs/dbraw/zinc/01/80/63/335018063.db2.gz RIOYHDZNIDMRTB-AEJSXWLSSA-N 1 3 254.334 -1.260 20 0 CAADHO C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237079031 372908580 /nfs/dbraw/zinc/90/85/80/372908580.db2.gz NJMKQAFPIYKERU-SNVBAGLBSA-N 1 3 256.350 -1.268 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000237155474 372913098 /nfs/dbraw/zinc/91/30/98/372913098.db2.gz OAHQASMJJORHFZ-JTQLQIEISA-N 1 3 256.350 -1.139 20 0 CAADHO C[NH2+]CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237198722 372913233 /nfs/dbraw/zinc/91/32/33/372913233.db2.gz HKIQMBJWAZOTRU-UHFFFAOYSA-N 1 3 268.361 -1.028 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000642909305 372920117 /nfs/dbraw/zinc/92/01/17/372920117.db2.gz KHPMIEZPTKCAHX-LLVKDONJSA-N 1 3 287.408 -1.598 20 0 CAADHO CN(CCN1CCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642925059 372925427 /nfs/dbraw/zinc/92/54/27/372925427.db2.gz PSQINGOGOZRTAR-UHFFFAOYSA-N 1 3 254.334 -1.371 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000562825472 372953027 /nfs/dbraw/zinc/95/30/27/372953027.db2.gz NMEWHOIKTYZEDP-MNOVXSKESA-N 1 3 266.345 -1.183 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000562825472 372953031 /nfs/dbraw/zinc/95/30/31/372953031.db2.gz NMEWHOIKTYZEDP-MNOVXSKESA-N 1 3 266.345 -1.183 20 0 CAADHO COC[C@@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000643801268 372936360 /nfs/dbraw/zinc/93/63/60/372936360.db2.gz VHRGKIHEBVWGNQ-ZYHUDNBSSA-N 1 3 257.334 -1.140 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000562825473 372951568 /nfs/dbraw/zinc/95/15/68/372951568.db2.gz NMEWHOIKTYZEDP-QWRGUYRKSA-N 1 3 266.345 -1.183 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000562825473 372951573 /nfs/dbraw/zinc/95/15/73/372951573.db2.gz NMEWHOIKTYZEDP-QWRGUYRKSA-N 1 3 266.345 -1.183 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452192 372961248 /nfs/dbraw/zinc/96/12/48/372961248.db2.gz WIXDWUNGMCGLCT-ONGXEEELSA-N 1 3 282.344 -1.865 20 0 CAADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000580054941 373010937 /nfs/dbraw/zinc/01/09/37/373010937.db2.gz PLDGQZIPLKPMRD-RYUDHWBXSA-N 1 3 299.419 -1.456 20 0 CAADHO CN1CCN(C(=O)COC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000570396101 372993927 /nfs/dbraw/zinc/99/39/27/372993927.db2.gz XDOWBRDRKHPXID-LLVKDONJSA-N 1 3 270.377 -1.144 20 0 CAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000580054942 373011132 /nfs/dbraw/zinc/01/11/32/373011132.db2.gz PLDGQZIPLKPMRD-VXGBXAGGSA-N 1 3 299.419 -1.456 20 0 CAADHO [NH3+][C@H]1C[C@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643893 373000082 /nfs/dbraw/zinc/00/00/82/373000082.db2.gz BUSRCIAJDAQCSW-RYUDHWBXSA-N 1 3 295.387 -1.948 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)CCOC2CNC2)CCCO1 ZINC000570842138 373004473 /nfs/dbraw/zinc/00/44/73/373004473.db2.gz SCJGTRWWEHCELU-JTQLQIEISA-N 1 3 257.334 -1.059 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CCN2C1=O ZINC000569744230 372982437 /nfs/dbraw/zinc/98/24/37/372982437.db2.gz HZDONRBTOMLEOO-QCLAVDOMSA-N 1 3 252.318 -1.506 20 0 CAADHO CN1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000162513717 373010677 /nfs/dbraw/zinc/01/06/77/373010677.db2.gz XZZGRYDYKUBQJT-WDEREUQCSA-N 1 3 256.350 -1.534 20 0 CAADHO Nc1nc(N)nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000624024772 373037735 /nfs/dbraw/zinc/03/77/35/373037735.db2.gz YDHYLCIZWZRORB-VIFPVBQESA-N 1 3 279.348 -1.145 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878056 373106428 /nfs/dbraw/zinc/10/64/28/373106428.db2.gz BVNAGWROYRORMI-WDEREUQCSA-N 1 3 266.345 -1.101 20 0 CAADHO CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594879376 373106489 /nfs/dbraw/zinc/10/64/89/373106489.db2.gz NIDPJJUIJTZYNA-BBBLOLIVSA-N 1 3 254.334 -1.245 20 0 CAADHO CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594879378 373106784 /nfs/dbraw/zinc/10/67/84/373106784.db2.gz NIDPJJUIJTZYNA-UTLUCORTSA-N 1 3 254.334 -1.245 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878381 373106873 /nfs/dbraw/zinc/10/68/73/373106873.db2.gz HBHHFPNPAFQUKG-YTWAJWBKSA-N 1 3 266.345 -1.116 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594874021 373106919 /nfs/dbraw/zinc/10/69/19/373106919.db2.gz ZRWDJYNHOSXIOS-KXUCPTDWSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCN2C1=O ZINC000594879629 373107126 /nfs/dbraw/zinc/10/71/26/373107126.db2.gz CKHDWDPXZIMQLB-QGKZMRNZSA-N 1 3 264.329 -1.493 20 0 CAADHO CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594873928 373107154 /nfs/dbraw/zinc/10/71/54/373107154.db2.gz TXAMFIMJDKHVOE-BDAKNGLRSA-N 1 3 254.334 -1.116 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879336 373107581 /nfs/dbraw/zinc/10/75/81/373107581.db2.gz MZSYMIHMUYKEJO-RMIALFOJSA-N 1 3 294.355 -2.007 20 0 CAADHO CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594873931 373107780 /nfs/dbraw/zinc/10/77/80/373107780.db2.gz TXAMFIMJDKHVOE-RKDXNWHRSA-N 1 3 254.334 -1.116 20 0 CAADHO COC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000594878322 373107855 /nfs/dbraw/zinc/10/78/55/373107855.db2.gz ZLCHWPBVFXJBCN-SUNKGSAMSA-N 1 3 296.371 -1.475 20 0 CAADHO CC1(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[NH2+]C1 ZINC000594879705 373107920 /nfs/dbraw/zinc/10/79/20/373107920.db2.gz KKSSHPYHDMAXIW-ZJUUUORDSA-N 1 3 282.344 -1.865 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879333 373107970 /nfs/dbraw/zinc/10/79/70/373107970.db2.gz MZSYMIHMUYKEJO-MIJXAVMKSA-N 1 3 294.355 -2.007 20 0 CAADHO CC1(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[NH2+]C1 ZINC000594879702 373108092 /nfs/dbraw/zinc/10/80/92/373108092.db2.gz KKSSHPYHDMAXIW-NXEZZACHSA-N 1 3 282.344 -1.865 20 0 CAADHO CC1(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[NH2+]C1 ZINC000594879704 373108154 /nfs/dbraw/zinc/10/81/54/373108154.db2.gz KKSSHPYHDMAXIW-VHSXEESVSA-N 1 3 282.344 -1.865 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273192 373110069 /nfs/dbraw/zinc/11/00/69/373110069.db2.gz KGZYASBGQOQBNL-DUEVMTECSA-N 1 3 293.371 -1.308 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267456 373110217 /nfs/dbraw/zinc/11/02/17/373110217.db2.gz LHXRKBVPHUEMGC-MNOVXSKESA-N 1 3 281.360 -1.308 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268458 373110262 /nfs/dbraw/zinc/11/02/62/373110262.db2.gz UORKJPIIOAMXPQ-GMTAPVOTSA-N 1 3 281.360 -1.308 20 0 CAADHO C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595274578 373111127 /nfs/dbraw/zinc/11/11/27/373111127.db2.gz TZTHOLKSYFYTIU-KXUCPTDWSA-N 1 3 269.349 -1.452 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595276244 373111450 /nfs/dbraw/zinc/11/14/50/373111450.db2.gz WJGNOQBAHHKUQM-LPEHRKFASA-N 1 3 269.349 -1.452 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902689 373122650 /nfs/dbraw/zinc/12/26/50/373122650.db2.gz GCZXHRMSAHTVJO-IJLUTSLNSA-N 1 3 280.372 -1.249 20 0 CAADHO CN1CCN(C(=O)CCOC2CNC2)[C@@H](C[NH3+])C1 ZINC000563101759 373219770 /nfs/dbraw/zinc/21/97/70/373219770.db2.gz NNNSHUVMGAVGNJ-JTQLQIEISA-N 1 3 256.350 -1.534 20 0 CAADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCNC(=O)C1 ZINC000563150041 373223917 /nfs/dbraw/zinc/22/39/17/373223917.db2.gz UXZGLTGVRUZFKD-TXEJJXNPSA-N 1 3 280.372 -1.124 20 0 CAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000599941104 373187426 /nfs/dbraw/zinc/18/74/26/373187426.db2.gz WTRFVQZCPCBBPZ-LNFKQOIKSA-N 1 3 281.360 -1.310 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000602526867 373204036 /nfs/dbraw/zinc/20/40/36/373204036.db2.gz PXIULIJZPCUWGX-ZHPDPMBESA-N 1 3 296.371 -1.476 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C(N)C(F)(F)F ZINC000571402327 373305173 /nfs/dbraw/zinc/30/51/73/373305173.db2.gz KSYVKIHHLDPRKB-RQJHMYQMSA-N 1 3 254.256 -1.104 20 0 CAADHO CN1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000637864056 373356584 /nfs/dbraw/zinc/35/65/84/373356584.db2.gz KXHJACLDKMMDTL-NSHDSACASA-N 1 3 255.366 -2.007 20 0 CAADHO O=C(CN1CCNCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638239339 373403035 /nfs/dbraw/zinc/40/30/35/373403035.db2.gz BEBKCYCVFDLEBU-ZDUSSCGKSA-N 1 3 281.404 -1.602 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CNCCO2)C1 ZINC000638337957 373415454 /nfs/dbraw/zinc/41/54/54/373415454.db2.gz NTXRLMYAKGLCNH-UMNHJUIQSA-N 1 3 257.334 -1.142 20 0 CAADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638436847 373422780 /nfs/dbraw/zinc/42/27/80/373422780.db2.gz GCALXSVWYIMIJD-PWSUYJOCSA-N 1 3 269.345 -1.046 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638436846 373423432 /nfs/dbraw/zinc/42/34/32/373423432.db2.gz GCALXSVWYIMIJD-JQWIXIFHSA-N 1 3 269.345 -1.046 20 0 CAADHO COCCN1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638101412 373383749 /nfs/dbraw/zinc/38/37/49/373383749.db2.gz PNYFKYKLPZKMQB-GFCCVEGCSA-N 1 3 270.377 -1.272 20 0 CAADHO COCCN1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638101413 373384662 /nfs/dbraw/zinc/38/46/62/373384662.db2.gz PNYFKYKLPZKMQB-LBPRGKRZSA-N 1 3 270.377 -1.272 20 0 CAADHO COCCCN(C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638121001 373387860 /nfs/dbraw/zinc/38/78/60/373387860.db2.gz BQPHEQFRIDLNAQ-UHFFFAOYSA-N 1 3 272.393 -1.024 20 0 CAADHO C[C@H](CNC(=O)CN1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000638137196 373388617 /nfs/dbraw/zinc/38/86/17/373388617.db2.gz GUJCEAYCQKUCGB-CQSZACIVSA-N 1 3 297.447 -1.109 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000638592796 373442291 /nfs/dbraw/zinc/44/22/91/373442291.db2.gz QIXIWYDIBNDQMB-LBPRGKRZSA-N 1 3 288.392 -1.220 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000638914506 373482161 /nfs/dbraw/zinc/48/21/61/373482161.db2.gz SRPXCPMVUAICMN-WOPDTQHZSA-N 1 3 280.372 -1.031 20 0 CAADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)C ZINC000351557317 373577231 /nfs/dbraw/zinc/57/72/31/373577231.db2.gz QASFEHCFBLBASW-NXEZZACHSA-N 1 3 256.350 -1.079 20 0 CAADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N(C)C ZINC000351557321 373577530 /nfs/dbraw/zinc/57/75/30/373577530.db2.gz QASFEHCFBLBASW-VHSXEESVSA-N 1 3 256.350 -1.079 20 0 CAADHO COCCN1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351559400 373578024 /nfs/dbraw/zinc/57/80/24/373578024.db2.gz JBXUDYBDDDCVIM-NEPJUHHUSA-N 1 3 298.387 -1.309 20 0 CAADHO COCCN1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559403 373578143 /nfs/dbraw/zinc/57/81/43/373578143.db2.gz JBXUDYBDDDCVIM-VXGBXAGGSA-N 1 3 298.387 -1.309 20 0 CAADHO COC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000583274126 373640856 /nfs/dbraw/zinc/64/08/56/373640856.db2.gz OBXYVOGZZISXDJ-GYSYKLTISA-N 1 3 296.371 -1.617 20 0 CAADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CNC1 ZINC000584711926 373649699 /nfs/dbraw/zinc/64/96/99/373649699.db2.gz MMUNLVUNUZHXQY-SECBINFHSA-N 1 3 256.350 -1.079 20 0 CAADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CNC1 ZINC000584711926 373649708 /nfs/dbraw/zinc/64/97/08/373649708.db2.gz MMUNLVUNUZHXQY-SECBINFHSA-N 1 3 256.350 -1.079 20 0 CAADHO C[C@@H](C[NH3+])C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584719400 373649855 /nfs/dbraw/zinc/64/98/55/373649855.db2.gz SWIDROMHGJYFOK-ZETCQYMHSA-N 1 3 253.310 -1.252 20 0 CAADHO CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583884047 373650371 /nfs/dbraw/zinc/65/03/71/373650371.db2.gz UCAWQCJSMQXASU-BDAKNGLRSA-N 1 3 269.349 -1.323 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C ZINC000633116073 373656382 /nfs/dbraw/zinc/65/63/82/373656382.db2.gz OQTQUPXXDGKYSD-ZJUUUORDSA-N 1 3 256.350 -1.046 20 0 CAADHO C[N@H+](CCCO)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623975075 373611161 /nfs/dbraw/zinc/61/11/61/373611161.db2.gz YFDYKQWPALIXCW-UHFFFAOYSA-N 1 3 281.364 -1.020 20 0 CAADHO C[N@@H+](CCCO)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623975075 373611170 /nfs/dbraw/zinc/61/11/70/373611170.db2.gz YFDYKQWPALIXCW-UHFFFAOYSA-N 1 3 281.364 -1.020 20 0 CAADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C ZINC000633116071 373656503 /nfs/dbraw/zinc/65/65/03/373656503.db2.gz OQTQUPXXDGKYSD-UWVGGRQHSA-N 1 3 256.350 -1.046 20 0 CAADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN)CCO ZINC000419521825 373671932 /nfs/dbraw/zinc/67/19/32/373671932.db2.gz KVLNEJGOEGGLTO-LLVKDONJSA-N 1 3 288.392 -1.388 20 0 CAADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN)CCO ZINC000419521825 373671940 /nfs/dbraw/zinc/67/19/40/373671940.db2.gz KVLNEJGOEGGLTO-LLVKDONJSA-N 1 3 288.392 -1.388 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420000650 373674550 /nfs/dbraw/zinc/67/45/50/373674550.db2.gz UHEYTBITFRVUKV-LLVKDONJSA-N 1 3 288.392 -1.124 20 0 CAADHO O=C1CNC(=O)N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629560186 373777281 /nfs/dbraw/zinc/77/72/81/373777281.db2.gz JIMLHDMGMSQDCR-LLVKDONJSA-N 1 3 284.360 -1.025 20 0 CAADHO C[NH2+]CCOCCN(C)CCCS(N)(=O)=O ZINC000641824650 373815095 /nfs/dbraw/zinc/81/50/95/373815095.db2.gz WIAHBWMNQUKFCM-UHFFFAOYSA-N 1 3 253.368 -1.167 20 0 CAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000629818533 373787772 /nfs/dbraw/zinc/78/77/72/373787772.db2.gz BSHXUNLEJOLWHA-NWDGAFQWSA-N 1 3 298.387 -1.417 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000629813858 373788922 /nfs/dbraw/zinc/78/89/22/373788922.db2.gz MVZHPYJJCKQIGM-WDEREUQCSA-N 1 3 268.361 -1.044 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000627102277 373841349 /nfs/dbraw/zinc/84/13/49/373841349.db2.gz JPBWLPIIJNHNDM-NSHDSACASA-N 1 3 274.365 -1.148 20 0 CAADHO CN1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](CN)C1 ZINC000627148401 373842914 /nfs/dbraw/zinc/84/29/14/373842914.db2.gz WLDDOZCPONUJDB-NSHDSACASA-N 1 3 285.392 -1.221 20 0 CAADHO CN1CCN(C(=O)NCCOCCC[NH3+])[C@@H](CN)C1 ZINC000627219437 373853253 /nfs/dbraw/zinc/85/32/53/373853253.db2.gz WQHPYZGYKXHKPB-NSHDSACASA-N 1 3 273.381 -1.364 20 0 CAADHO CN1CC[C@](O)(CNC(=O)NCCOCCC[NH3+])C1 ZINC000627216649 373853714 /nfs/dbraw/zinc/85/37/14/373853714.db2.gz TYCPTHVJUWZWOQ-LBPRGKRZSA-N 1 3 274.365 -1.282 20 0 CAADHO [NH3+]CCCOCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627219159 373854332 /nfs/dbraw/zinc/85/43/32/373854332.db2.gz QVOZGGYYEAJZTF-NWDGAFQWSA-N 1 3 286.376 -1.188 20 0 CAADHO COCCNCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566206570 373943142 /nfs/dbraw/zinc/94/31/42/373943142.db2.gz PZHYDTOGBGQNRL-SNVBAGLBSA-N 1 3 272.349 -1.793 20 0 CAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000566171436 373944347 /nfs/dbraw/zinc/94/43/47/373944347.db2.gz GPNQJPLOMROZPB-GFCCVEGCSA-N 1 3 291.355 -1.100 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@H]1C ZINC000567049687 373952935 /nfs/dbraw/zinc/95/29/35/373952935.db2.gz HFUZEWINJOTHPV-KOLCDFICSA-N 1 3 256.350 -1.094 20 0 CAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000567470290 373956813 /nfs/dbraw/zinc/95/68/13/373956813.db2.gz ZASIHXAADYOFBD-BDAKNGLRSA-N 1 3 290.314 -1.032 20 0 CAADHO O=C1CNCCN1[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000568089188 373965094 /nfs/dbraw/zinc/96/50/94/373965094.db2.gz KNDSYYOIEREONB-CQSZACIVSA-N 1 3 295.431 -1.212 20 0 CAADHO CO[C@H](CN)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581038 373958088 /nfs/dbraw/zinc/95/80/88/373958088.db2.gz OAVIHOQGILZSNI-BDAKNGLRSA-N 1 3 298.309 -1.088 20 0 CAADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567873673 373962032 /nfs/dbraw/zinc/96/20/32/373962032.db2.gz LCBUWOTUDXACEW-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ncn(C)c1=O ZINC000540976814 373905797 /nfs/dbraw/zinc/90/57/97/373905797.db2.gz RDUJBWAQVXEKSN-UHFFFAOYSA-N 1 3 298.391 -1.466 20 0 CAADHO COCCN(C)CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000567754549 373962595 /nfs/dbraw/zinc/96/25/95/373962595.db2.gz BBZSSLKWWQQNCT-UHFFFAOYSA-N 1 3 288.392 -1.122 20 0 CAADHO CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000565361750 373935651 /nfs/dbraw/zinc/93/56/51/373935651.db2.gz BGUAAIHQCIESDY-NWDGAFQWSA-N 1 3 297.403 -1.654 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006823 373998039 /nfs/dbraw/zinc/99/80/39/373998039.db2.gz SJPRHYZABBIWJH-MNOVXSKESA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006825 373998643 /nfs/dbraw/zinc/99/86/43/373998643.db2.gz SJPRHYZABBIWJH-WDEREUQCSA-N 1 3 266.345 -1.244 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579474826 374000228 /nfs/dbraw/zinc/00/02/28/374000228.db2.gz PSRYQLZWPWIEQU-PWSUYJOCSA-N 1 3 285.392 -1.813 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496263 374000703 /nfs/dbraw/zinc/00/07/03/374000703.db2.gz BFMFYJPCOKPPMY-DCAQKATOSA-N 1 3 266.345 -1.101 20 0 CAADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N(C)C1CC1 ZINC000579573039 374003450 /nfs/dbraw/zinc/00/34/50/374003450.db2.gz GBVAFXGHJLPYOR-QMMMGPOBSA-N 1 3 254.334 -1.327 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580844327 374007360 /nfs/dbraw/zinc/00/73/60/374007360.db2.gz MDBTVPOSGGKNOF-NSHDSACASA-N 1 3 286.376 -1.451 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287620 373970650 /nfs/dbraw/zinc/97/06/50/373970650.db2.gz DYWZEKPSBDCCIC-QUARPLMYSA-N 1 3 279.344 -1.842 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000568620359 373971737 /nfs/dbraw/zinc/97/17/37/373971737.db2.gz YTGFEOKARUWISX-NWDGAFQWSA-N 1 3 270.377 -1.225 20 0 CAADHO COCCNCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569240264 373974888 /nfs/dbraw/zinc/97/48/88/373974888.db2.gz MCBMOSFDPLFMMR-LBPRGKRZSA-N 1 3 270.377 -1.272 20 0 CAADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnn(C)n1 ZINC000573183698 373979310 /nfs/dbraw/zinc/97/93/10/373979310.db2.gz JJFSDYGETVOJNL-UHFFFAOYSA-N 1 3 298.395 -1.155 20 0 CAADHO CN[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573338111 373979763 /nfs/dbraw/zinc/97/97/63/373979763.db2.gz DCQNBRJGQGCQFJ-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO Nc1nc(NCCN2CCC(O)CC2)nc(N)[nH+]1 ZINC000624260238 374109896 /nfs/dbraw/zinc/10/98/96/374109896.db2.gz HMMHSWCGVWXRNB-UHFFFAOYSA-N 1 3 253.310 -2.013 20 0 CAADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)nc(N)n1 ZINC000624331276 374111070 /nfs/dbraw/zinc/11/10/70/374111070.db2.gz UUIQNCBJESSWIB-ZETCQYMHSA-N 1 3 280.336 -1.747 20 0 CAADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627389435 374118803 /nfs/dbraw/zinc/11/88/03/374118803.db2.gz DTXUBXIICLURIB-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)CCN(C)C ZINC000627463327 374126268 /nfs/dbraw/zinc/12/62/68/374126268.db2.gz UKCYVQAEXVGNMV-UHFFFAOYSA-N 1 3 274.365 -1.641 20 0 CAADHO CN1CCN(C)[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623963047 374098995 /nfs/dbraw/zinc/09/89/95/374098995.db2.gz WVDPFLXCJOUCTL-ZETCQYMHSA-N 1 3 252.326 -2.224 20 0 CAADHO CN1CCN(C)[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623963046 374099393 /nfs/dbraw/zinc/09/93/93/374099393.db2.gz WVDPFLXCJOUCTL-SSDOTTSWSA-N 1 3 252.326 -2.224 20 0 CAADHO COC1CC[NH+](CCNc2nc(N)nc(N)n2)CC1 ZINC000624025301 374101221 /nfs/dbraw/zinc/10/12/21/374101221.db2.gz VSZDKJNECPJTSF-UHFFFAOYSA-N 1 3 267.337 -1.359 20 0 CAADHO C[NH+](C)C1CCN(CCNc2nc(N)nc(N)n2)CC1 ZINC000624022248 374102137 /nfs/dbraw/zinc/10/21/37/374102137.db2.gz HZOCEUJFIJFGSZ-UHFFFAOYSA-N 1 3 280.380 -1.443 20 0 CAADHO Nc1nc(N)nc(NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC000624248874 374108725 /nfs/dbraw/zinc/10/87/25/374108725.db2.gz HNSLAVFOKIPZGT-MRVPVSSYSA-N 1 3 267.337 -1.623 20 0 CAADHO Nc1nc(N)nc(NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC000624248874 374108731 /nfs/dbraw/zinc/10/87/31/374108731.db2.gz HNSLAVFOKIPZGT-MRVPVSSYSA-N 1 3 267.337 -1.623 20 0 CAADHO C[N@@H+]1CCN(CCNc2nc(N)nc(N)n2)CC1(C)C ZINC000624184896 374108965 /nfs/dbraw/zinc/10/89/65/374108965.db2.gz ZVXMMURFCVXBPK-UHFFFAOYSA-N 1 3 280.380 -1.443 20 0 CAADHO C[N@H+]1CCN(CCNc2nc(N)nc(N)n2)CC1(C)C ZINC000624184896 374108967 /nfs/dbraw/zinc/10/89/67/374108967.db2.gz ZVXMMURFCVXBPK-UHFFFAOYSA-N 1 3 280.380 -1.443 20 0 CAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000627501679 374135359 /nfs/dbraw/zinc/13/53/59/374135359.db2.gz UELIUSBMGUKVTR-VHSXEESVSA-N 1 3 256.350 -1.127 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078383 374182589 /nfs/dbraw/zinc/18/25/89/374182589.db2.gz KOSBIQNTGJUQNB-UWVGGRQHSA-N 1 3 254.334 -1.421 20 0 CAADHO O=S(=O)(C[C@H]1CNCCO1)N1CCC[NH2+]CC1 ZINC000631901249 374151146 /nfs/dbraw/zinc/15/11/46/374151146.db2.gz WHENEBPINUFKBL-SNVBAGLBSA-N 1 3 263.363 -1.400 20 0 CAADHO CN(C)CCCS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000631901820 374151844 /nfs/dbraw/zinc/15/18/44/374151844.db2.gz PGJNNSYVLOTEKQ-UHFFFAOYSA-N 1 3 278.422 -1.237 20 0 CAADHO CN(C)CCCS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000631907627 374154097 /nfs/dbraw/zinc/15/40/97/374154097.db2.gz OUVLHDBLIUXYEK-NSHDSACASA-N 1 3 278.422 -1.157 20 0 CAADHO CN(C)CCCS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000631929282 374154342 /nfs/dbraw/zinc/15/43/42/374154342.db2.gz AXASYMNYIGGMPV-JTQLQIEISA-N 1 3 265.379 -1.073 20 0 CAADHO COC1(C(=O)N2CCN(C)C[C@@H]2CN)CC[NH2+]CC1 ZINC000634286789 374198179 /nfs/dbraw/zinc/19/81/79/374198179.db2.gz GJSNMXHPWSCHLY-NSHDSACASA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000357243135 252147524 /nfs/dbraw/zinc/14/75/24/252147524.db2.gz QMHQUVWWCKWWIO-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO COCCCN(C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357934180 252153128 /nfs/dbraw/zinc/15/31/28/252153128.db2.gz ZYOJQCOTIPHPEU-WDEREUQCSA-N 1 3 259.350 -1.206 20 0 CAADHO COCCCN(C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357934178 252153640 /nfs/dbraw/zinc/15/36/40/252153640.db2.gz ZYOJQCOTIPHPEU-MNOVXSKESA-N 1 3 259.350 -1.206 20 0 CAADHO COCCN(C)CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357928968 252154150 /nfs/dbraw/zinc/15/41/50/252154150.db2.gz MUBNJWZGSFTBMF-GHMZBOCLSA-N 1 3 259.350 -1.206 20 0 CAADHO COCCCN(C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357934179 252154191 /nfs/dbraw/zinc/15/41/91/252154191.db2.gz ZYOJQCOTIPHPEU-QWRGUYRKSA-N 1 3 259.350 -1.206 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358512770 252154836 /nfs/dbraw/zinc/15/48/36/252154836.db2.gz IBCGIFNYBVOAEH-RYUDHWBXSA-N 1 3 298.387 -1.417 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358512773 252155004 /nfs/dbraw/zinc/15/50/04/252155004.db2.gz IBCGIFNYBVOAEH-VXGBXAGGSA-N 1 3 298.387 -1.417 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360280182 252167300 /nfs/dbraw/zinc/16/73/00/252167300.db2.gz SLWSLFZMSWHLEE-UHFFFAOYSA-N 1 3 288.392 -1.299 20 0 CAADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(CCN)CCO ZINC000418946385 252247667 /nfs/dbraw/zinc/24/76/67/252247667.db2.gz OPCZORIVHYHZRN-LLVKDONJSA-N 1 3 288.392 -1.388 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)CCN2C1=O ZINC000515171625 252252547 /nfs/dbraw/zinc/25/25/47/252252547.db2.gz SOEDSSVLIRDXBE-MXWKQRLJSA-N 1 3 266.345 -1.116 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]([NH3+])C3CCC3)CCN2C1=O ZINC000515171622 252252600 /nfs/dbraw/zinc/25/26/00/252252600.db2.gz SOEDSSVLIRDXBE-AXFHLTTASA-N 1 3 266.345 -1.116 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)CCN2C1=O ZINC000515171624 252253165 /nfs/dbraw/zinc/25/31/65/252253165.db2.gz SOEDSSVLIRDXBE-HBNTYKKESA-N 1 3 266.345 -1.116 20 0 CAADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262545016 285026971 /nfs/dbraw/zinc/02/69/71/285026971.db2.gz RUGFGXBCMJDHLA-UTUOFQBUSA-N 1 3 271.361 -1.064 20 0 CAADHO NC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224090 782009427 /nfs/dbraw/zinc/00/94/27/782009427.db2.gz RNGLKAWSEVYMPH-UHFFFAOYSA-N 1 3 299.375 -1.237 20 0 CAADHO N[C@@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000648140341 409322585 /nfs/dbraw/zinc/32/25/85/409322585.db2.gz PGGBAEIQFHBLAV-KLBPJQLPSA-N 1 3 266.345 -1.340 20 0 CAADHO COCCN(C)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662384713 409323350 /nfs/dbraw/zinc/32/33/50/409323350.db2.gz USTXHUKYKKCPBB-UHFFFAOYSA-N 1 3 284.364 -1.065 20 0 CAADHO CC1(OCC(=O)NC[C@@H]2C[NH2+]CCCO2)CNC1 ZINC000648148192 409323596 /nfs/dbraw/zinc/32/35/96/409323596.db2.gz QFSSIEGNODJCQY-JTQLQIEISA-N 1 3 257.334 -1.140 20 0 CAADHO CC1(OCC(=O)NC[C@H]2C[NH2+]CCCO2)CNC1 ZINC000648148193 409323988 /nfs/dbraw/zinc/32/39/88/409323988.db2.gz QFSSIEGNODJCQY-SNVBAGLBSA-N 1 3 257.334 -1.140 20 0 CAADHO [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CCC2(CNC2)O1 ZINC000662285887 409324261 /nfs/dbraw/zinc/32/42/61/409324261.db2.gz LCGZEJVSCLJDTD-QWRGUYRKSA-N 1 3 259.350 -1.879 20 0 CAADHO COCCNCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646905130 409326733 /nfs/dbraw/zinc/32/67/33/409326733.db2.gz GYQQEKZDPQOYRE-LLVKDONJSA-N 1 3 286.376 -1.403 20 0 CAADHO COCCNCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646905131 409327326 /nfs/dbraw/zinc/32/73/26/409327326.db2.gz GYQQEKZDPQOYRE-NSHDSACASA-N 1 3 286.376 -1.403 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000647640633 409357127 /nfs/dbraw/zinc/35/71/27/409357127.db2.gz VNNYUCQRBTVLTB-ONGXEEELSA-N 1 3 256.350 -1.046 20 0 CAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000647057937 409330719 /nfs/dbraw/zinc/33/07/19/409330719.db2.gz CIZYSZYJYCDBGL-GUBZILKMSA-N 1 3 272.324 -1.329 20 0 CAADHO COCCN(C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114885 409332100 /nfs/dbraw/zinc/33/21/00/409332100.db2.gz ZTTMZEMHFXZXCE-AAEUAGOBSA-N 1 3 271.361 -1.083 20 0 CAADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332539 /nfs/dbraw/zinc/33/25/39/409332539.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 1 3 294.399 -1.346 20 0 CAADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332545 /nfs/dbraw/zinc/33/25/45/409332545.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 1 3 294.399 -1.346 20 0 CAADHO CN(C)CC[NH+]1CCC(CNC(=O)C2(O)CNC2)CC1 ZINC000662692947 409332666 /nfs/dbraw/zinc/33/26/66/409332666.db2.gz HIYVTSXPFAZCRQ-UHFFFAOYSA-N 1 3 284.404 -1.290 20 0 CAADHO C[NH+](C)CCN1CCC(CNC(=O)C2(O)CNC2)CC1 ZINC000662692947 409332668 /nfs/dbraw/zinc/33/26/68/409332668.db2.gz HIYVTSXPFAZCRQ-UHFFFAOYSA-N 1 3 284.404 -1.290 20 0 CAADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333373 /nfs/dbraw/zinc/33/33/73/409333373.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 1 3 294.399 -1.346 20 0 CAADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333378 /nfs/dbraw/zinc/33/33/78/409333378.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 1 3 294.399 -1.346 20 0 CAADHO N[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662750256 409335905 /nfs/dbraw/zinc/33/59/05/409335905.db2.gz SYEBXNKDBLUIPB-OPRDCNLKSA-N 1 3 272.324 -1.248 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901224 409338185 /nfs/dbraw/zinc/33/81/85/409338185.db2.gz UPVPLHMCWWIRDT-ZDUSSCGKSA-N 1 3 296.415 -1.052 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901224 409338191 /nfs/dbraw/zinc/33/81/91/409338191.db2.gz UPVPLHMCWWIRDT-ZDUSSCGKSA-N 1 3 296.415 -1.052 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901224 409338196 /nfs/dbraw/zinc/33/81/96/409338196.db2.gz UPVPLHMCWWIRDT-ZDUSSCGKSA-N 1 3 296.415 -1.052 20 0 CAADHO COCCN(C)CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358702480 409345540 /nfs/dbraw/zinc/34/55/40/409345540.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 1 3 288.392 -1.070 20 0 CAADHO COCCN(C)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358702480 409345545 /nfs/dbraw/zinc/34/55/45/409345545.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 1 3 288.392 -1.070 20 0 CAADHO CN(CCN1CC[NH2+]CC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000647493270 409347981 /nfs/dbraw/zinc/34/79/81/409347981.db2.gz YKWJBMHUQUMPDG-UHFFFAOYSA-N 1 3 295.387 -1.579 20 0 CAADHO COCC[NH2+]CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000648106145 409458905 /nfs/dbraw/zinc/45/89/05/409458905.db2.gz DUFPHRHBFASZMA-NSHDSACASA-N 1 3 274.365 -1.562 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH2+]C1CC1 ZINC000647755403 409403441 /nfs/dbraw/zinc/40/34/41/409403441.db2.gz HKYRMWNYCVEBLF-NSHDSACASA-N 1 3 256.350 -1.046 20 0 CAADHO COCCNCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770141 409406257 /nfs/dbraw/zinc/40/62/57/409406257.db2.gz ZCVDYSNUXVRMOW-UHFFFAOYSA-N 1 3 258.366 -1.414 20 0 CAADHO COCCN(C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351527340 409450855 /nfs/dbraw/zinc/45/08/55/409450855.db2.gz ZSISMAMOXJOUIA-NSHDSACASA-N 1 3 286.376 -1.451 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738126 409473662 /nfs/dbraw/zinc/47/36/62/409473662.db2.gz AGGABRZXPDWZNY-NEPJUHHUSA-N 1 3 298.387 -1.227 20 0 CAADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514950454 409478874 /nfs/dbraw/zinc/47/88/74/409478874.db2.gz GATOFPYBKFCAHG-XKNYDFJKSA-N 1 3 269.349 -1.325 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000659359120 409485565 /nfs/dbraw/zinc/48/55/65/409485565.db2.gz WTWDRGOUXBUNSI-SNVBAGLBSA-N 1 3 256.350 -1.173 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[NH3+] ZINC000659508371 409557378 /nfs/dbraw/zinc/55/73/78/409557378.db2.gz UNXAJNBZLOQFHV-UHFFFAOYSA-N 1 3 259.354 -1.394 20 0 CAADHO N[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[C@H]1F ZINC000659507413 409557789 /nfs/dbraw/zinc/55/77/89/409557789.db2.gz KHRHTNVRNLLVRN-GHMZBOCLSA-N 1 3 273.356 -1.028 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000659708582 409566502 /nfs/dbraw/zinc/56/65/02/409566502.db2.gz WVAKVOSYFPYGBN-JTQLQIEISA-N 1 3 274.365 -1.595 20 0 CAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000646842326 409497929 /nfs/dbraw/zinc/49/79/29/409497929.db2.gz ANNLIJKUWXMBHD-MWLCHTKSSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000646842324 409497997 /nfs/dbraw/zinc/49/79/97/409497997.db2.gz ANNLIJKUWXMBHD-KOLCDFICSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000646842328 409498147 /nfs/dbraw/zinc/49/81/47/409498147.db2.gz ANNLIJKUWXMBHD-ONGXEEELSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](C)C ZINC000573459816 409509191 /nfs/dbraw/zinc/50/91/91/409509191.db2.gz ORLFOULTWGSWNP-HBNTYKKESA-N 1 3 283.376 -1.110 20 0 CAADHO C[C@@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](C)C ZINC000573459812 409509212 /nfs/dbraw/zinc/50/92/12/409509212.db2.gz ORLFOULTWGSWNP-DCAQKATOSA-N 1 3 283.376 -1.110 20 0 CAADHO CN1C[C@H](N[C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455285 409509302 /nfs/dbraw/zinc/50/93/02/409509302.db2.gz GVXMERVLQHCECB-MNOVXSKESA-N 1 3 296.371 -1.114 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970899 409521726 /nfs/dbraw/zinc/52/17/26/409521726.db2.gz ZVXDOYLTNAERTL-XQQFMLRXSA-N 1 3 298.387 -1.175 20 0 CAADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968546 409521943 /nfs/dbraw/zinc/52/19/43/409521943.db2.gz WAOWQWWSALLVFB-RNWYCLNJSA-N 1 3 266.345 -1.335 20 0 CAADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000656023074 409527285 /nfs/dbraw/zinc/52/72/85/409527285.db2.gz UKDSSCALNPJOEG-WAAGHKOSSA-N 1 3 254.334 -1.469 20 0 CAADHO CC[NH+](CC)CC[C@@H](CO)Nc1nc(N)nc(N)n1 ZINC000624178883 409546023 /nfs/dbraw/zinc/54/60/23/409546023.db2.gz DINAARCNBMGGLE-QMMMGPOBSA-N 1 3 269.353 -1.377 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664728002 409632555 /nfs/dbraw/zinc/63/25/55/409632555.db2.gz VRRCHJMKPXLUDJ-NSHDSACASA-N 1 3 284.360 -1.713 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000659754589 409573984 /nfs/dbraw/zinc/57/39/84/409573984.db2.gz VQRJUDCOYXBUDH-NSHDSACASA-N 1 3 288.392 -1.253 20 0 CAADHO [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CCC2(CNC2)O1 ZINC000662285885 409585373 /nfs/dbraw/zinc/58/53/73/409585373.db2.gz LCGZEJVSCLJDTD-GHMZBOCLSA-N 1 3 259.350 -1.879 20 0 CAADHO [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CCC2(CNC2)O1 ZINC000662285886 409586567 /nfs/dbraw/zinc/58/65/67/409586567.db2.gz LCGZEJVSCLJDTD-MNOVXSKESA-N 1 3 259.350 -1.879 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)COCC[NH3+] ZINC000662659374 409601633 /nfs/dbraw/zinc/60/16/33/409601633.db2.gz LBECUACMSKWJEQ-UHFFFAOYSA-N 1 3 274.365 -1.560 20 0 CAADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659189 409601714 /nfs/dbraw/zinc/60/17/14/409601714.db2.gz JDJXGPXHOHXUGK-NSHDSACASA-N 1 3 288.392 -1.171 20 0 CAADHO CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)CN ZINC000662632093 409602805 /nfs/dbraw/zinc/60/28/05/409602805.db2.gz LYBZWQGOYZLPIP-UHFFFAOYSA-N 1 3 273.381 -1.939 20 0 CAADHO C[C@@H](CNC(=O)C1(O)CNC1)C[NH+]1CCN(C)CC1 ZINC000662758368 409606717 /nfs/dbraw/zinc/60/67/17/409606717.db2.gz QYEQHLBJMWRYGG-NSHDSACASA-N 1 3 270.377 -1.680 20 0 CAADHO CN(C)CCn1ccc(NC(=O)COCC[NH3+])n1 ZINC000646428447 409648181 /nfs/dbraw/zinc/64/81/81/409648181.db2.gz OHCZPDWWAONYKD-UHFFFAOYSA-N 1 3 255.322 -0.642 20 0 CAADHO CN(C)CCNC(=O)CC(O)CC(=O)NCC[NH+](C)C ZINC000350871364 227151927 /nfs/dbraw/zinc/15/19/27/227151927.db2.gz QBKHLOXDJFMFOG-UHFFFAOYSA-N 1 3 288.392 -1.517 20 0 CAADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418194 230254558 /nfs/dbraw/zinc/25/45/58/230254558.db2.gz XZBAFFZMWUBRAF-JTQLQIEISA-N 1 3 256.350 -1.091 20 0 CAADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418197 230255264 /nfs/dbraw/zinc/25/52/64/230255264.db2.gz XZBAFFZMWUBRAF-SNVBAGLBSA-N 1 3 256.350 -1.091 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420060027 230259561 /nfs/dbraw/zinc/25/95/61/230259561.db2.gz PYULRIZFRPPYCH-UHFFFAOYSA-N 1 3 288.392 -1.124 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423258532 230269489 /nfs/dbraw/zinc/26/94/89/230269489.db2.gz BSLZCPQPPGHOQW-NSHDSACASA-N 1 3 286.376 -1.417 20 0 CAADHO O[C@@H]1CN(CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710249 230336745 /nfs/dbraw/zinc/33/67/45/230336745.db2.gz USGZRCGDMMGZDG-ZDEQEGDKSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1C[N@H+](CCCCCN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710249 230336751 /nfs/dbraw/zinc/33/67/51/230336751.db2.gz USGZRCGDMMGZDG-ZDEQEGDKSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1C[N@@H+](CCCCCN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710249 230336757 /nfs/dbraw/zinc/33/67/57/230336757.db2.gz USGZRCGDMMGZDG-ZDEQEGDKSA-N 1 3 274.361 -1.769 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398777 260398399 /nfs/dbraw/zinc/39/83/99/260398399.db2.gz ZRWDJYNHOSXIOS-AEJSXWLSSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398783 260398735 /nfs/dbraw/zinc/39/87/35/260398735.db2.gz ZRWDJYNHOSXIOS-IVZWLZJFSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398782 260398822 /nfs/dbraw/zinc/39/88/22/260398822.db2.gz ZRWDJYNHOSXIOS-BBBLOLIVSA-N 1 3 252.318 -1.491 20 0 CAADHO CN(C)C1(CNC(=O)C(=O)NC2C[NH2+]C2)CCC1 ZINC000517019988 269088690 /nfs/dbraw/zinc/08/86/90/269088690.db2.gz JYNRTHFKALKUOS-UHFFFAOYSA-N 1 3 254.334 -1.325 20 0 CAADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN(C)C)C[C@H](C)O1 ZINC000517741918 269088785 /nfs/dbraw/zinc/08/87/85/269088785.db2.gz IVTUDXCQHBEUNQ-RFQIPJPRSA-N 1 3 289.420 -1.031 20 0 CAADHO C[C@@H]1CN(C[C@H](O)CNC[C@H](O)C[NH+](C)C)C[C@H](C)O1 ZINC000517741918 269088786 /nfs/dbraw/zinc/08/87/86/269088786.db2.gz IVTUDXCQHBEUNQ-RFQIPJPRSA-N 1 3 289.420 -1.031 20 0 CAADHO CC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[NH2+]C1 ZINC000517588053 269088831 /nfs/dbraw/zinc/08/88/31/269088831.db2.gz HBJLDPSNKAEBJD-BDAKNGLRSA-N 1 3 252.318 -1.634 20 0 CAADHO CC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[NH2+]C1 ZINC000517588055 269088960 /nfs/dbraw/zinc/08/89/60/269088960.db2.gz HBJLDPSNKAEBJD-IUCAKERBSA-N 1 3 252.318 -1.634 20 0 CAADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C)C[C@@H](C)O1 ZINC000517741914 269089054 /nfs/dbraw/zinc/08/90/54/269089054.db2.gz IVTUDXCQHBEUNQ-AAVRWANBSA-N 1 3 289.420 -1.031 20 0 CAADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)C[NH+](C)C)C[C@@H](C)O1 ZINC000517741914 269089055 /nfs/dbraw/zinc/08/90/55/269089055.db2.gz IVTUDXCQHBEUNQ-AAVRWANBSA-N 1 3 289.420 -1.031 20 0 CAADHO CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000521464359 269089340 /nfs/dbraw/zinc/08/93/40/269089340.db2.gz SWOZVCBMRCWUMX-VHSXEESVSA-N 1 3 269.349 -1.451 20 0 CAADHO CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000521464360 269089370 /nfs/dbraw/zinc/08/93/70/269089370.db2.gz SWOZVCBMRCWUMX-ZJUUUORDSA-N 1 3 269.349 -1.451 20 0 CAADHO CO[C@H](C[NH3+])CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000519820959 269089649 /nfs/dbraw/zinc/08/96/49/269089649.db2.gz CPMHRJPEBYOBIZ-QMMMGPOBSA-N 1 3 283.336 -1.483 20 0 CAADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000521070709 269089681 /nfs/dbraw/zinc/08/96/81/269089681.db2.gz DTXUBXIICLURIB-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CN(C)[C@]1(CNC(=O)C(=O)NC2C[NH2+]C2)CCSC1 ZINC000575236991 335086818 /nfs/dbraw/zinc/08/68/18/335086818.db2.gz SMGORBJHNHISSP-LBPRGKRZSA-N 1 3 286.401 -1.372 20 0 CAADHO CCN(C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538005 276068945 /nfs/dbraw/zinc/06/89/45/276068945.db2.gz QHFUBMZMOFIITE-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CNCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430892147 277020688 /nfs/dbraw/zinc/02/06/88/277020688.db2.gz BEILOMMLZYINEU-SNVBAGLBSA-N 1 3 256.350 -1.091 20 0 CAADHO CNCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430892147 277020689 /nfs/dbraw/zinc/02/06/89/277020689.db2.gz BEILOMMLZYINEU-SNVBAGLBSA-N 1 3 256.350 -1.091 20 0 CAADHO CCN(CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419509187 279190177 /nfs/dbraw/zinc/19/01/77/279190177.db2.gz DMERUFPAVPWTAX-GFCCVEGCSA-N 1 3 298.387 -1.227 20 0 CAADHO NC(=O)NC(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436056991 295226683 /nfs/dbraw/zinc/22/66/83/295226683.db2.gz XBSJKAGCIMJYOC-SNVBAGLBSA-N 1 3 299.375 -1.109 20 0 CAADHO NC(=O)NC(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436056983 303372768 /nfs/dbraw/zinc/37/27/68/303372768.db2.gz XBSJKAGCIMJYOC-JTQLQIEISA-N 1 3 299.375 -1.109 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)NCC3CC[NH2+]CC3)CCN2C1=O ZINC000563451758 328066290 /nfs/dbraw/zinc/06/62/90/328066290.db2.gz NMMRHBYMJZSJNK-RYUDHWBXSA-N 1 3 295.387 -1.061 20 0 CAADHO C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563452522 328067040 /nfs/dbraw/zinc/06/70/40/328067040.db2.gz XMBNLOVWAMYCBT-NXEZZACHSA-N 1 3 269.349 -1.451 20 0 CAADHO C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563452523 328067107 /nfs/dbraw/zinc/06/71/07/328067107.db2.gz XMBNLOVWAMYCBT-UWVGGRQHSA-N 1 3 269.349 -1.451 20 0 CAADHO CC[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563452562 328067306 /nfs/dbraw/zinc/06/73/06/328067306.db2.gz XUMUIJAJZZYAMK-MNOVXSKESA-N 1 3 283.376 -1.061 20 0 CAADHO CC[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563452565 328067380 /nfs/dbraw/zinc/06/73/80/328067380.db2.gz XUMUIJAJZZYAMK-WDEREUQCSA-N 1 3 283.376 -1.061 20 0 CAADHO COCCN(C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000571279281 328096837 /nfs/dbraw/zinc/09/68/37/328096837.db2.gz DEDRTLGABJSKIV-UHFFFAOYSA-N 1 3 284.364 -1.065 20 0 CAADHO CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571583110 328135344 /nfs/dbraw/zinc/13/53/44/328135344.db2.gz XMXSWDQCDWSECQ-QWRGUYRKSA-N 1 3 283.376 -1.061 20 0 CAADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571658424 328315032 /nfs/dbraw/zinc/31/50/32/328315032.db2.gz HRAJHDYBCGJQEO-NAKRPEOUSA-N 1 3 266.345 -1.245 20 0 CAADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571658426 328315312 /nfs/dbraw/zinc/31/53/12/328315312.db2.gz HRAJHDYBCGJQEO-XWLWVQCSSA-N 1 3 266.345 -1.245 20 0 CAADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COC1CNC1 ZINC000569339209 327096806 /nfs/dbraw/zinc/09/68/06/327096806.db2.gz URMJJQXHDQCCAH-LLVKDONJSA-N 1 3 298.387 -1.179 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569356534 327162274 /nfs/dbraw/zinc/16/22/74/327162274.db2.gz FFXDQJRKVYMPRS-YTWAJWBKSA-N 1 3 266.345 -1.388 20 0 CAADHO NC(C(=O)NCCN1CC[NH2+]CC1)C(F)(F)F ZINC000569454459 327179629 /nfs/dbraw/zinc/17/96/29/327179629.db2.gz JLIURFGULWMMSA-ZETCQYMHSA-N 1 3 254.256 -1.103 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583382295 327336075 /nfs/dbraw/zinc/33/60/75/327336075.db2.gz UAQBKFFLKHSSPS-JQWIXIFHSA-N 1 3 285.392 -1.894 20 0 CAADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865759 327352228 /nfs/dbraw/zinc/35/22/28/327352228.db2.gz OKWHBSJOROOYQD-LDYMZIIASA-N 1 3 266.345 -1.327 20 0 CAADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865757 327352245 /nfs/dbraw/zinc/35/22/45/327352245.db2.gz OKWHBSJOROOYQD-KCJUWKMLSA-N 1 3 266.345 -1.327 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)CC3(C[NH3+])CC3)CCN2C1=O ZINC000566495202 327399016 /nfs/dbraw/zinc/39/90/16/327399016.db2.gz DJNWXWRQDZIGFP-ZJUUUORDSA-N 1 3 266.345 -1.114 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495874 327399426 /nfs/dbraw/zinc/39/94/26/327399426.db2.gz LNNYDEDSUYKFCI-GARJFASQSA-N 1 3 298.412 -1.148 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000566573043 327413413 /nfs/dbraw/zinc/41/34/13/327413413.db2.gz VYMXBXYCCPGPCY-BREBYQMCSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CCN2C1=O ZINC000569744235 327544600 /nfs/dbraw/zinc/54/46/00/327544600.db2.gz HZDONRBTOMLEOO-UTINFBMNSA-N 1 3 252.318 -1.506 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CCN2C1=O ZINC000569744232 327544606 /nfs/dbraw/zinc/54/46/06/327544606.db2.gz HZDONRBTOMLEOO-RGOKHQFPSA-N 1 3 252.318 -1.506 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000569843673 327551633 /nfs/dbraw/zinc/55/16/33/327551633.db2.gz LIVCYVSPHIFSIP-QWRGUYRKSA-N 1 3 256.350 -1.615 20 0 CAADHO C[NH2+][C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000570332165 327583260 /nfs/dbraw/zinc/58/32/60/327583260.db2.gz JCXXDXREOSKCOC-ONGXEEELSA-N 1 3 256.350 -1.094 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563976006 328842411 /nfs/dbraw/zinc/84/24/11/328842411.db2.gz BOBAKHUCEAPKEK-JTQLQIEISA-N 1 3 272.349 -1.841 20 0 CAADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)CN1CCCC1 ZINC000583694099 329004497 /nfs/dbraw/zinc/00/44/97/329004497.db2.gz WOIUQVUOBPMESD-KBPBESRZSA-N 1 3 287.404 -1.274 20 0 CAADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)CN1CCOCC1 ZINC000583694101 329004556 /nfs/dbraw/zinc/00/45/56/329004556.db2.gz WOIUQVUOBPMESD-UONOGXRCSA-N 1 3 287.404 -1.274 20 0 CAADHO COC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000583274127 329419126 /nfs/dbraw/zinc/41/91/26/329419126.db2.gz OBXYVOGZZISXDJ-MJVIPROJSA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764568 329475976 /nfs/dbraw/zinc/47/59/76/329475976.db2.gz MGIVGOIZXYNELI-LPEHRKFASA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764566 329476183 /nfs/dbraw/zinc/47/61/83/329476183.db2.gz MGIVGOIZXYNELI-GUBZILKMSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583824302 329481746 /nfs/dbraw/zinc/48/17/46/329481746.db2.gz ZRWDJYNHOSXIOS-UTLUCORTSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[NH2+]C[C@@H]3CCCO3)CCN2C1=O ZINC000575763590 335113367 /nfs/dbraw/zinc/11/33/67/335113367.db2.gz WPBWWIUHKSVPOJ-GRYCIOLGSA-N 1 3 296.371 -1.475 20 0 CAADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000576094113 335152408 /nfs/dbraw/zinc/15/24/08/335152408.db2.gz QWCVUZDTJXIIAZ-UHFFFAOYSA-N 1 3 287.408 -1.726 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576174001 335165255 /nfs/dbraw/zinc/16/52/55/335165255.db2.gz PBUKCBPYVCCUDX-AXFHLTTASA-N 1 3 283.376 -1.110 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576174002 335165290 /nfs/dbraw/zinc/16/52/90/335165290.db2.gz PBUKCBPYVCCUDX-DCAQKATOSA-N 1 3 283.376 -1.110 20 0 CAADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310517 334051765 /nfs/dbraw/zinc/05/17/65/334051765.db2.gz CEUXPMHPGATPQZ-JTQLQIEISA-N 1 3 254.334 -1.325 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576219285 335172111 /nfs/dbraw/zinc/17/21/11/335172111.db2.gz MZMVGHXODYKDDA-LLVKDONJSA-N 1 3 285.392 -1.892 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349370 334154324 /nfs/dbraw/zinc/15/43/24/334154324.db2.gz LBOLRFDULWOQTF-NXEZZACHSA-N 1 3 252.318 -1.491 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000564740576 334518676 /nfs/dbraw/zinc/51/86/76/334518676.db2.gz XBNVSWDQHLMCIR-LBPRGKRZSA-N 1 3 299.419 -1.584 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565251431 334548029 /nfs/dbraw/zinc/54/80/29/334548029.db2.gz VXPPNMWHOUDIDB-WYUUTHIRSA-N 1 3 295.387 -1.062 20 0 CAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000566171438 334631343 /nfs/dbraw/zinc/63/13/43/334631343.db2.gz GPNQJPLOMROZPB-LBPRGKRZSA-N 1 3 291.355 -1.100 20 0 CAADHO CC1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)C[NH2+]C1 ZINC000566201009 334635442 /nfs/dbraw/zinc/63/54/42/334635442.db2.gz QALDCUIYTQUWGQ-UHFFFAOYSA-N 1 3 265.321 -1.238 20 0 CAADHO COC[C@]1(C(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000566909884 334669015 /nfs/dbraw/zinc/66/90/15/334669015.db2.gz QDWKPMHFLADAEC-PWSUYJOCSA-N 1 3 257.334 -1.283 20 0 CAADHO COC[C@]1(C(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000566909883 334669078 /nfs/dbraw/zinc/66/90/78/334669078.db2.gz QDWKPMHFLADAEC-JQWIXIFHSA-N 1 3 257.334 -1.283 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000568620361 334832782 /nfs/dbraw/zinc/83/27/82/334832782.db2.gz YTGFEOKARUWISX-RYUDHWBXSA-N 1 3 270.377 -1.225 20 0 CAADHO O=C(COC1CNC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000568878208 334844647 /nfs/dbraw/zinc/84/46/47/334844647.db2.gz PBKZDSKZFVMTIQ-NSHDSACASA-N 1 3 268.361 -1.519 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000576598478 335225023 /nfs/dbraw/zinc/22/50/23/335225023.db2.gz NVQMTIJDNLTKMW-GBIKHYSHSA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000577628188 335382076 /nfs/dbraw/zinc/38/20/76/335382076.db2.gz UEEVRUMNNMPDBB-GARJFASQSA-N 1 3 266.345 -1.244 20 0 CAADHO O=C(CCOC1CNC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000578191961 335551272 /nfs/dbraw/zinc/55/12/72/335551272.db2.gz UDRAPROJTLBSRY-NSHDSACASA-N 1 3 257.334 -1.140 20 0 CAADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578454445 335637335 /nfs/dbraw/zinc/63/73/35/335637335.db2.gz ZHHONNRISCOPTN-HBNTYKKESA-N 1 3 283.376 -1.205 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496265 335774645 /nfs/dbraw/zinc/77/46/45/335774645.db2.gz BFMFYJPCOKPPMY-VWYCJHECSA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496262 335774658 /nfs/dbraw/zinc/77/46/58/335774658.db2.gz BFMFYJPCOKPPMY-AXFHLTTASA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322008 336048959 /nfs/dbraw/zinc/04/89/59/336048959.db2.gz GOAPEPQRZJRSDL-NXEZZACHSA-N 1 3 281.360 -1.179 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322010 336048978 /nfs/dbraw/zinc/04/89/78/336048978.db2.gz GOAPEPQRZJRSDL-VHSXEESVSA-N 1 3 281.360 -1.179 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381621 336066082 /nfs/dbraw/zinc/06/60/82/336066082.db2.gz PNYCJXONHWPSIF-MXWKQRLJSA-N 1 3 281.360 -1.308 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581605878 336110939 /nfs/dbraw/zinc/11/09/39/336110939.db2.gz FAZHEPDREVDASZ-OLZOCXBDSA-N 1 3 282.388 -1.129 20 0 CAADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581895857 336162409 /nfs/dbraw/zinc/16/24/09/336162409.db2.gz RIOYHDZNIDMRTB-IVZWLZJFSA-N 1 3 254.334 -1.260 20 0 CAADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201334911 782104641 /nfs/dbraw/zinc/10/46/41/782104641.db2.gz LDWNSHCDMPJBIO-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201334905 782105674 /nfs/dbraw/zinc/10/56/74/782105674.db2.gz LDWNSHCDMPJBIO-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923634059 782122343 /nfs/dbraw/zinc/12/23/43/782122343.db2.gz NEXDXLZDAALZKT-SECBINFHSA-N 1 3 264.351 -2.204 20 0 CAADHO CC1([NH3+])CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923634481 782123144 /nfs/dbraw/zinc/12/31/44/782123144.db2.gz OKCDEIMGWJQSQZ-UHFFFAOYSA-N 1 3 262.379 -1.050 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]12 ZINC000923635616 782122768 /nfs/dbraw/zinc/12/27/68/782122768.db2.gz OIOBDEKXJQETDW-GMTAPVOTSA-N 1 3 274.390 -1.195 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CNCCO1)C[NH+]1CCN(C)CC1 ZINC000431012289 534013135 /nfs/dbraw/zinc/01/31/35/534013135.db2.gz ABFJCIIYIHKION-STQMWFEESA-N 1 3 284.404 -1.026 20 0 CAADHO C[C@@H](CNC(=O)[C@H]1CNCCO1)C[NH+]1CCN(C)CC1 ZINC000431012288 534025118 /nfs/dbraw/zinc/02/51/18/534025118.db2.gz ABFJCIIYIHKION-QWHCGFSZSA-N 1 3 284.404 -1.026 20 0 CAADHO C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237066581 522008753 /nfs/dbraw/zinc/00/87/53/522008753.db2.gz NJMKQAFPIYKERU-JTQLQIEISA-N 1 3 256.350 -1.268 20 0 CAADHO CC1(OCC(=O)N2CCCO[C@@H](C[NH3+])C2)CNC1 ZINC000648177619 545505974 /nfs/dbraw/zinc/50/59/74/545505974.db2.gz JZQSSWOCYZBPCO-JTQLQIEISA-N 1 3 257.334 -1.059 20 0 CAADHO CC(C(=O)N(C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000135227147 545509828 /nfs/dbraw/zinc/50/98/28/545509828.db2.gz UISIRHYPQQHWSO-JTQLQIEISA-N 1 3 277.390 -1.217 20 0 CAADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540761 /nfs/dbraw/zinc/54/07/61/545540761.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 1 3 268.361 -1.011 20 0 CAADHO C[N@H+]1CCC[C@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540765 /nfs/dbraw/zinc/54/07/65/545540765.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 1 3 268.361 -1.011 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000648110778 545540881 /nfs/dbraw/zinc/54/08/81/545540881.db2.gz NVHYGPRHUCFYFN-QWRGUYRKSA-N 1 3 284.360 -1.488 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843813 545541089 /nfs/dbraw/zinc/54/10/89/545541089.db2.gz GYORPHAOXAXZDT-VWYCJHECSA-N 1 3 268.361 -1.011 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843813 545541091 /nfs/dbraw/zinc/54/10/91/545541091.db2.gz GYORPHAOXAXZDT-VWYCJHECSA-N 1 3 268.361 -1.011 20 0 CAADHO [NH3+]CCOCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000645929058 545552475 /nfs/dbraw/zinc/55/24/75/545552475.db2.gz JJGUXHHQUXVORL-UHFFFAOYSA-N 1 3 298.387 -1.272 20 0 CAADHO OCCN(CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000649411779 545562983 /nfs/dbraw/zinc/56/29/83/545562983.db2.gz BATOHDWPNSDDGE-UHFFFAOYSA-N 1 3 286.420 -1.482 20 0 CAADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735254 545579386 /nfs/dbraw/zinc/57/93/86/545579386.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 1 3 282.388 -1.395 20 0 CAADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735254 545579392 /nfs/dbraw/zinc/57/93/92/545579392.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 1 3 282.388 -1.395 20 0 CAADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735254 545579396 /nfs/dbraw/zinc/57/93/96/545579396.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 1 3 282.388 -1.395 20 0 CAADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735228 545580045 /nfs/dbraw/zinc/58/00/45/545580045.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 1 3 282.388 -1.395 20 0 CAADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735228 545580047 /nfs/dbraw/zinc/58/00/47/545580047.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 1 3 282.388 -1.395 20 0 CAADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C3(O)CNC3)C2)CC1 ZINC000662735228 545580049 /nfs/dbraw/zinc/58/00/49/545580049.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 1 3 282.388 -1.395 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901218 545580149 /nfs/dbraw/zinc/58/01/49/545580149.db2.gz UPVPLHMCWWIRDT-CYBMUJFWSA-N 1 3 296.415 -1.052 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901218 545580152 /nfs/dbraw/zinc/58/01/52/545580152.db2.gz UPVPLHMCWWIRDT-CYBMUJFWSA-N 1 3 296.415 -1.052 20 0 CAADHO CN(C(=O)C1(O)CNC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901218 545580155 /nfs/dbraw/zinc/58/01/55/545580155.db2.gz UPVPLHMCWWIRDT-CYBMUJFWSA-N 1 3 296.415 -1.052 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662922900 545580996 /nfs/dbraw/zinc/58/09/96/545580996.db2.gz NMLMVXPDJLQVOK-QDYJBQRPSA-N 1 3 268.361 -1.046 20 0 CAADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275445987 782171118 /nfs/dbraw/zinc/17/11/18/782171118.db2.gz UXVJOZMULIZGFC-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275445987 782171126 /nfs/dbraw/zinc/17/11/26/782171126.db2.gz UXVJOZMULIZGFC-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275445990 782171457 /nfs/dbraw/zinc/17/14/57/782171457.db2.gz UXVJOZMULIZGFC-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275445990 782171463 /nfs/dbraw/zinc/17/14/63/782171463.db2.gz UXVJOZMULIZGFC-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000642801231 582109787 /nfs/dbraw/zinc/10/97/87/582109787.db2.gz JWPCAUZRPUYYOF-GFCCVEGCSA-N 1 3 299.419 -1.454 20 0 CAADHO COCCN(C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126315462 582110219 /nfs/dbraw/zinc/11/02/19/582110219.db2.gz UGGUNPOCRIXKME-LBPRGKRZSA-N 1 3 288.392 -1.220 20 0 CAADHO CN1CCC(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC000895435324 582115350 /nfs/dbraw/zinc/11/53/50/582115350.db2.gz ZQTAEDGLFZVSGK-PHIMTYICSA-N 1 3 268.361 -1.153 20 0 CAADHO CN1CCC(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC000895435324 582115351 /nfs/dbraw/zinc/11/53/51/582115351.db2.gz ZQTAEDGLFZVSGK-PHIMTYICSA-N 1 3 268.361 -1.153 20 0 CAADHO O=C(NC[C@H]1C[NH2+]CCO1)c1[nH]nc2c1CNCC2 ZINC000842511869 582212915 /nfs/dbraw/zinc/21/29/15/582212915.db2.gz ZPHJIWBYVAPFDY-MRVPVSSYSA-N 1 3 265.317 -1.226 20 0 CAADHO CCNCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843325432 582213824 /nfs/dbraw/zinc/21/38/24/582213824.db2.gz NVOONBXSQDVOOW-JTQLQIEISA-N 1 3 256.350 -1.091 20 0 CAADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000843497160 582214982 /nfs/dbraw/zinc/21/49/82/582214982.db2.gz FTBGFOZANAJDPE-GHMZBOCLSA-N 1 3 257.334 -1.140 20 0 CAADHO CN1CC[C@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019237 582227358 /nfs/dbraw/zinc/22/73/58/582227358.db2.gz VJJLXYBEJZIURK-AWEZNQCLSA-N 1 3 299.419 -1.111 20 0 CAADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851685014 582229144 /nfs/dbraw/zinc/22/91/44/582229144.db2.gz OMSUAPGYZFWCNG-VXGBXAGGSA-N 1 3 298.387 -1.227 20 0 CAADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686000 582229190 /nfs/dbraw/zinc/22/91/90/582229190.db2.gz YIPVSKUINVKVRN-SRVKXCTJSA-N 1 3 296.371 -1.556 20 0 CAADHO NC[C@H]1CC(C(=O)NCCCN2CC[NH2+]CC2)=NO1 ZINC000852789672 582230597 /nfs/dbraw/zinc/23/05/97/582230597.db2.gz KRSVOBYENCYTMB-SNVBAGLBSA-N 1 3 269.349 -1.499 20 0 CAADHO CN1CCN(C(=O)C2=NO[C@H](CN)C2)[C@H](C[NH3+])C1 ZINC000852800027 582230620 /nfs/dbraw/zinc/23/06/20/582230620.db2.gz YLOWLKZWJKVIDD-BDAKNGLRSA-N 1 3 255.322 -1.809 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852800943 582230751 /nfs/dbraw/zinc/23/07/51/582230751.db2.gz UVKDTHXHHXPXMB-QXFUBDJGSA-N 1 3 256.306 -1.335 20 0 CAADHO CN1CCN(C(=O)C2=NO[C@H](CN)C2)[C@@H](C[NH3+])C1 ZINC000852800035 582230772 /nfs/dbraw/zinc/23/07/72/582230772.db2.gz YLOWLKZWJKVIDD-IUCAKERBSA-N 1 3 255.322 -1.809 20 0 CAADHO CN1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@@H](C[NH3+])C1 ZINC000852800033 582230797 /nfs/dbraw/zinc/23/07/97/582230797.db2.gz YLOWLKZWJKVIDD-DTWKUNHWSA-N 1 3 255.322 -1.809 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852800945 582230817 /nfs/dbraw/zinc/23/08/17/582230817.db2.gz UVKDTHXHHXPXMB-XKSSXDPKSA-N 1 3 256.306 -1.335 20 0 CAADHO CN1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@H](C[NH3+])C1 ZINC000852800038 582230824 /nfs/dbraw/zinc/23/08/24/582230824.db2.gz YLOWLKZWJKVIDD-RKDXNWHRSA-N 1 3 255.322 -1.809 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852800940 582230910 /nfs/dbraw/zinc/23/09/10/582230910.db2.gz UVKDTHXHHXPXMB-NRPADANISA-N 1 3 256.306 -1.335 20 0 CAADHO COCCN(C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863464 582231632 /nfs/dbraw/zinc/23/16/32/582231632.db2.gz GDRYNLGGVSUIGH-VIFPVBQESA-N 1 3 258.322 -1.216 20 0 CAADHO COC[C@@]1(CNC(=O)C2=NO[C@@H](CN)C2)CCC[NH2+]1 ZINC000852879401 582231795 /nfs/dbraw/zinc/23/17/95/582231795.db2.gz DUGQJHMNCCPTJV-SKDRFNHKSA-N 1 3 270.333 -1.025 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881614 582231799 /nfs/dbraw/zinc/23/17/99/582231799.db2.gz YMTORSFXQSMKRF-QWRGUYRKSA-N 1 3 281.360 -1.404 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852908024 582232530 /nfs/dbraw/zinc/23/25/30/582232530.db2.gz REFMLJWXTFITBX-SNVBAGLBSA-N 1 3 299.375 -1.432 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861755036 582244874 /nfs/dbraw/zinc/24/48/74/582244874.db2.gz LYWJHIUHNPYFHA-NEPJUHHUSA-N 1 3 298.387 -1.227 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863754938 582249770 /nfs/dbraw/zinc/24/97/70/582249770.db2.gz JVLPNGKHXJTHHH-LLVKDONJSA-N 1 3 288.392 -1.171 20 0 CAADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701653 582253829 /nfs/dbraw/zinc/25/38/29/582253829.db2.gz LVDNPESECWVCTP-SBMIAAHKSA-N 1 3 255.318 -1.497 20 0 CAADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701653 582253830 /nfs/dbraw/zinc/25/38/30/582253830.db2.gz LVDNPESECWVCTP-SBMIAAHKSA-N 1 3 255.318 -1.497 20 0 CAADHO CN(C)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502591 582262454 /nfs/dbraw/zinc/26/24/54/582262454.db2.gz FKHNIIBIPUTPKZ-NSHDSACASA-N 1 3 257.382 -1.713 20 0 CAADHO COCCN1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756584 582263096 /nfs/dbraw/zinc/26/30/96/582263096.db2.gz VQGGCBVXELCIOA-QWRGUYRKSA-N 1 3 258.366 -1.288 20 0 CAADHO C[NH+]1CCC(NC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000878844764 582266822 /nfs/dbraw/zinc/26/68/22/582266822.db2.gz HCCBNARVAQTAFC-UONOGXRCSA-N 1 3 296.415 -1.052 20 0 CAADHO CO[C@@H](CN)C(=O)NCCN(C)CCC[NH+](C)C ZINC000884401732 582274838 /nfs/dbraw/zinc/27/48/38/582274838.db2.gz ZOZVCUFRHJMZRM-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN)CC[C@H]21 ZINC000884673410 582275755 /nfs/dbraw/zinc/27/57/55/582275755.db2.gz WFSQRFLCVZLXIW-NXEZZACHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN)CC[C@H]21 ZINC000884673410 582275756 /nfs/dbraw/zinc/27/57/56/582275756.db2.gz WFSQRFLCVZLXIW-NXEZZACHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCOCCN(C)C ZINC000884662462 582275764 /nfs/dbraw/zinc/27/57/64/582275764.db2.gz QHYXMPVZMKKMJY-WDEREUQCSA-N 1 3 286.376 -1.371 20 0 CAADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCOCCN(C)C ZINC000884662461 582275769 /nfs/dbraw/zinc/27/57/69/582275769.db2.gz QHYXMPVZMKKMJY-QWRGUYRKSA-N 1 3 286.376 -1.371 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884662712 582275783 /nfs/dbraw/zinc/27/57/83/582275783.db2.gz WYSCIGLVCQFCNF-UHFFFAOYSA-N 1 3 288.392 -1.076 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884662135 582275837 /nfs/dbraw/zinc/27/58/37/582275837.db2.gz IVKWEVNFHSXAPA-QWRGUYRKSA-N 1 3 284.360 -1.747 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCOCCN(C)C ZINC000884662460 582275860 /nfs/dbraw/zinc/27/58/60/582275860.db2.gz QHYXMPVZMKKMJY-MNOVXSKESA-N 1 3 286.376 -1.371 20 0 CAADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000884693200 582276218 /nfs/dbraw/zinc/27/62/18/582276218.db2.gz QADVWOOBMMWUMR-ONGXEEELSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000884693200 582276219 /nfs/dbraw/zinc/27/62/19/582276219.db2.gz QADVWOOBMMWUMR-ONGXEEELSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000884693198 582276236 /nfs/dbraw/zinc/27/62/36/582276236.db2.gz QADVWOOBMMWUMR-KOLCDFICSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@@H]21 ZINC000884693198 582276237 /nfs/dbraw/zinc/27/62/37/582276237.db2.gz QADVWOOBMMWUMR-KOLCDFICSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000884693199 582276246 /nfs/dbraw/zinc/27/62/46/582276246.db2.gz QADVWOOBMMWUMR-MWLCHTKSSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000884693199 582276247 /nfs/dbraw/zinc/27/62/47/582276247.db2.gz QADVWOOBMMWUMR-MWLCHTKSSA-N 1 3 266.345 -1.373 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926292964 656029144 /nfs/dbraw/zinc/02/91/44/656029144.db2.gz IJQSIDPBZCTOQC-ZDUSSCGKSA-N 1 3 286.376 -1.681 20 0 CAADHO [NH3+]C1CCC(NS(=O)(=O)N2CCNCC2)CC1 ZINC000051694945 656033873 /nfs/dbraw/zinc/03/38/73/656033873.db2.gz KOCYLSKMVAVDJF-UHFFFAOYSA-N 1 3 262.379 -1.004 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019772994 656068553 /nfs/dbraw/zinc/06/85/53/656068553.db2.gz ZBISBSSVBYUPKD-ZJUUUORDSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019772994 656068555 /nfs/dbraw/zinc/06/85/55/656068555.db2.gz ZBISBSSVBYUPKD-ZJUUUORDSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145925 656071986 /nfs/dbraw/zinc/07/19/86/656071986.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 1 3 292.383 -1.127 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145925 656071989 /nfs/dbraw/zinc/07/19/89/656071989.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 1 3 292.383 -1.127 20 0 CAADHO CN1CC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563785 656127768 /nfs/dbraw/zinc/12/77/68/656127768.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 1 3 298.387 -1.356 20 0 CAADHO CN1CC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928563785 656127770 /nfs/dbraw/zinc/12/77/70/656127770.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 1 3 298.387 -1.356 20 0 CAADHO CN1CC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563785 656127774 /nfs/dbraw/zinc/12/77/74/656127774.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 1 3 298.387 -1.356 20 0 CAADHO CN1CC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928563785 656127776 /nfs/dbraw/zinc/12/77/76/656127776.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 1 3 298.387 -1.356 20 0 CAADHO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)N1CCNCC1 ZINC000903584624 656185410 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MUUXXGZIPISPKI-ZDUSSCGKSA-N 1 3 284.404 -1.337 20 0 CAADHO CN(C)CC(=O)NC1(C)CN(C(=O)C[NH+](C)C)C1 ZINC000913837853 656340499 /nfs/dbraw/zinc/34/04/99/656340499.db2.gz RLYKJHRZACBFHX-UHFFFAOYSA-N 1 3 256.350 -1.173 20 0 CAADHO CN(C)CC(=O)N1CC(C)(NC(=O)C[NH+](C)C)C1 ZINC000913837853 656340498 /nfs/dbraw/zinc/34/04/98/656340498.db2.gz RLYKJHRZACBFHX-UHFFFAOYSA-N 1 3 256.350 -1.173 20 0 CAADHO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923564659 656807149 /nfs/dbraw/zinc/80/71/49/656807149.db2.gz AZVLGPXCKIJIFP-JTQLQIEISA-N 1 3 262.379 -1.050 20 0 CAADHO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCNCC1 ZINC000923635942 656811695 /nfs/dbraw/zinc/81/16/95/656811695.db2.gz JXTPQNMTRVBPCO-IUCAKERBSA-N 1 3 266.342 -1.493 20 0 CAADHO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923650946 656812222 /nfs/dbraw/zinc/81/22/22/656812222.db2.gz SCKFKCITZYGDHO-RKDXNWHRSA-N 1 3 250.368 -1.148 20 0 CAADHO [NH3+][C@@H]1CC[C@H](CN2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000923548890 656806169 /nfs/dbraw/zinc/80/61/69/656806169.db2.gz BLGJRRMGIOQIAY-HBNTYKKESA-N 1 3 274.390 -1.052 20 0 CAADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000923487785 656806315 /nfs/dbraw/zinc/80/63/15/656806315.db2.gz NUPAXSUFMZCLGE-JTQLQIEISA-N 1 3 254.334 -1.385 20 0 CAADHO O=S1(=O)NC[C@H]2CN(CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549207 656806494 /nfs/dbraw/zinc/80/64/94/656806494.db2.gz GHBRPDRTOUKBQU-QWRGUYRKSA-N 1 3 274.390 -1.180 20 0 CAADHO C[NH2+]C[C@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000923574086 656806793 /nfs/dbraw/zinc/80/67/93/656806793.db2.gz QZCKJAFAPHIVOX-SNVBAGLBSA-N 1 3 262.379 -1.180 20 0 CAADHO CC(C)[C@H]([NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923572660 656806822 /nfs/dbraw/zinc/80/68/22/656806822.db2.gz KOKYKHNGLRLTRL-SECBINFHSA-N 1 3 250.368 -1.291 20 0 CAADHO O=S(=O)(NCC[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC000923568578 656806957 /nfs/dbraw/zinc/80/69/57/656806957.db2.gz GAVLBLCTNLIQOL-SNVBAGLBSA-N 1 3 262.379 -1.274 20 0 CAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000923568163 656806978 /nfs/dbraw/zinc/80/69/78/656806978.db2.gz FNUAUSOYEQDNFK-NXEZZACHSA-N 1 3 262.379 -1.195 20 0 CAADHO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923576413 656806983 /nfs/dbraw/zinc/80/69/83/656806983.db2.gz IKGHSYWBLCFGEK-ZJUUUORDSA-N 1 3 278.378 -1.816 20 0 CAADHO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923571202 656807003 /nfs/dbraw/zinc/80/70/03/656807003.db2.gz AMNGMOONBWXCHZ-ZJUUUORDSA-N 1 3 262.379 -1.147 20 0 CAADHO [NH3+]CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923562429 656807121 /nfs/dbraw/zinc/80/71/21/656807121.db2.gz IZWNLFUXVMMNMQ-UHFFFAOYSA-N 1 3 262.379 -1.193 20 0 CAADHO O=S(=O)(NCC1CC[NH2+]CC1)N1CCNCC1 ZINC000923563897 656807212 /nfs/dbraw/zinc/80/72/12/656807212.db2.gz ZJDBNJLOBHXATL-UHFFFAOYSA-N 1 3 262.379 -1.274 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923576411 656807225 /nfs/dbraw/zinc/80/72/25/656807225.db2.gz IKGHSYWBLCFGEK-UWVGGRQHSA-N 1 3 278.378 -1.816 20 0 CAADHO [NH3+]CC1(NS(=O)(=O)N2CCNCC2)CCCC1 ZINC000923568569 656807256 /nfs/dbraw/zinc/80/72/56/656807256.db2.gz HWHZRFQTJVPEPN-UHFFFAOYSA-N 1 3 262.379 -1.003 20 0 CAADHO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923571197 656807269 /nfs/dbraw/zinc/80/72/69/656807269.db2.gz AMNGMOONBWXCHZ-NXEZZACHSA-N 1 3 262.379 -1.147 20 0 CAADHO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)N1CCNCC1 ZINC000923566447 656807447 /nfs/dbraw/zinc/80/74/47/656807447.db2.gz NLCSNRWUBICQNZ-JTQLQIEISA-N 1 3 262.379 -1.132 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923576412 656807454 /nfs/dbraw/zinc/80/74/54/656807454.db2.gz IKGHSYWBLCFGEK-VHSXEESVSA-N 1 3 278.378 -1.816 20 0 CAADHO O=S(=O)(N[C@H]1CCCC[NH2+]C1)N1CCNCC1 ZINC000923640195 656811401 /nfs/dbraw/zinc/81/14/01/656811401.db2.gz DENHQQXOMVMJMN-JTQLQIEISA-N 1 3 262.379 -1.132 20 0 CAADHO C[C@H]1C[C@@H](NS(=O)(=O)N2CCNCC2)CC[NH2+]1 ZINC000923635840 656811468 /nfs/dbraw/zinc/81/14/68/656811468.db2.gz IFZVQGMXAIOVSJ-UWVGGRQHSA-N 1 3 262.379 -1.134 20 0 CAADHO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639341 656811481 /nfs/dbraw/zinc/81/14/81/656811481.db2.gz LGYIOPPQTNMBJK-VHSXEESVSA-N 1 3 262.379 -1.134 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639048 656811499 /nfs/dbraw/zinc/81/14/99/656811499.db2.gz WIAQRBJOBBWQOU-ZJUUUORDSA-N 1 3 262.379 -1.276 20 0 CAADHO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639045 656811640 /nfs/dbraw/zinc/81/16/40/656811640.db2.gz WIAQRBJOBBWQOU-UWVGGRQHSA-N 1 3 262.379 -1.276 20 0 CAADHO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923635737 656811746 /nfs/dbraw/zinc/81/17/46/656811746.db2.gz PKBQPPHWXWPIGX-VHSXEESVSA-N 1 3 262.379 -1.004 20 0 CAADHO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)N1CCNCC1 ZINC000923640231 656811841 /nfs/dbraw/zinc/81/18/41/656811841.db2.gz JBEGQFMQDXBKKX-JTQLQIEISA-N 1 3 262.379 -1.195 20 0 CAADHO C[C@H]1C[C@H](NS(=O)(=O)N2CCNCC2)CC[NH2+]1 ZINC000923635842 656811849 /nfs/dbraw/zinc/81/18/49/656811849.db2.gz IFZVQGMXAIOVSJ-VHSXEESVSA-N 1 3 262.379 -1.134 20 0 CAADHO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)N1CCNCC1 ZINC000923641476 656811921 /nfs/dbraw/zinc/81/19/21/656811921.db2.gz UUHZXXFQRDPYCK-SNVBAGLBSA-N 1 3 274.390 -1.132 20 0 CAADHO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923635739 656811981 /nfs/dbraw/zinc/81/19/81/656811981.db2.gz PKBQPPHWXWPIGX-ZJUUUORDSA-N 1 3 262.379 -1.004 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639043 656812030 /nfs/dbraw/zinc/81/20/30/656812030.db2.gz WIAQRBJOBBWQOU-NXEZZACHSA-N 1 3 262.379 -1.276 20 0 CAADHO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923650945 656812389 /nfs/dbraw/zinc/81/23/89/656812389.db2.gz SCKFKCITZYGDHO-IUCAKERBSA-N 1 3 250.368 -1.148 20 0 CAADHO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923643933 656812539 /nfs/dbraw/zinc/81/25/39/656812539.db2.gz FAXVKACJBNYXLY-NXEZZACHSA-N 1 3 262.379 -1.147 20 0 CAADHO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923651982 656812588 /nfs/dbraw/zinc/81/25/88/656812588.db2.gz JZPAXQBBWUUQDH-UWVGGRQHSA-N 1 3 262.379 -1.052 20 0 CAADHO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923650943 656812612 /nfs/dbraw/zinc/81/26/12/656812612.db2.gz SCKFKCITZYGDHO-BDAKNGLRSA-N 1 3 250.368 -1.148 20 0 CAADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1CNC1 ZINC000923646320 656812703 /nfs/dbraw/zinc/81/27/03/656812703.db2.gz VLMBYHCBSDTZDJ-YUMQZZPRSA-N 1 3 251.327 -1.080 20 0 CAADHO CO[C@H]1CN(S(=O)(=O)C2CNC2)[C@](C)(C[NH3+])C1 ZINC000923661716 656813009 /nfs/dbraw/zinc/81/30/09/656813009.db2.gz IUZVPSVSSDYILI-SCZZXKLOSA-N 1 3 263.363 -1.274 20 0 CAADHO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923656906 656813024 /nfs/dbraw/zinc/81/30/24/656813024.db2.gz VYSSOZQKZYZGBB-SECBINFHSA-N 1 3 262.379 -1.134 20 0 CAADHO CO[C@H]1CN(S(=O)(=O)N2CCNCC2)[C@@](C)(C[NH3+])C1 ZINC000923661269 656813140 /nfs/dbraw/zinc/81/31/40/656813140.db2.gz CTNODHAZCSFDCI-GHMZBOCLSA-N 1 3 292.405 -1.426 20 0 CAADHO N[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000923658672 656813147 /nfs/dbraw/zinc/81/31/47/656813147.db2.gz HQPVIYFFECCZKH-RKDXNWHRSA-N 1 3 266.342 -1.493 20 0 CAADHO CO[C@H]1CN(S(=O)(=O)C2CNC2)[C@@](C)(C[NH3+])C1 ZINC000923661715 656813156 /nfs/dbraw/zinc/81/31/56/656813156.db2.gz IUZVPSVSSDYILI-PSASIEDQSA-N 1 3 263.363 -1.274 20 0 CAADHO C[C@H]1CC[C@H](NS(=O)(=O)N2CCNCC2)C[NH2+]1 ZINC000923661650 656813265 /nfs/dbraw/zinc/81/32/65/656813265.db2.gz HIMMTPGPZHMCPS-UWVGGRQHSA-N 1 3 262.379 -1.134 20 0 CAADHO CO[C@@H]1CN(S(=O)(=O)C2CNC2)[C@](C)(C[NH3+])C1 ZINC000923661718 656813308 /nfs/dbraw/zinc/81/33/08/656813308.db2.gz IUZVPSVSSDYILI-WPRPVWTQSA-N 1 3 263.363 -1.274 20 0 CAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923667049 656813475 /nfs/dbraw/zinc/81/34/75/656813475.db2.gz RGJKCGJXYYYRSC-UWVGGRQHSA-N 1 3 262.379 -1.337 20 0 CAADHO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923659628 656813514 /nfs/dbraw/zinc/81/35/14/656813514.db2.gz OOEOFGUSCOWIMG-MNOVXSKESA-N 1 3 274.390 -1.050 20 0 CAADHO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CCNCC1 ZINC000923674599 656814023 /nfs/dbraw/zinc/81/40/23/656814023.db2.gz RRCWXBGOGRLPIP-SNVBAGLBSA-N 1 3 262.379 -1.180 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)N1CCNCC1 ZINC000923672035 656814323 /nfs/dbraw/zinc/81/43/23/656814323.db2.gz ADKJQMNERKLEKI-ZJUUUORDSA-N 1 3 262.379 -1.419 20 0 CAADHO CCO[C@@H](CNS(=O)(=O)N1CCNCC1)C[NH+](C)C ZINC000923675502 656814421 /nfs/dbraw/zinc/81/44/21/656814421.db2.gz BEYLMNYBZHYSFA-NSHDSACASA-N 1 3 294.421 -1.307 20 0 CAADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCNCCNCC1 ZINC000923693559 656815699 /nfs/dbraw/zinc/81/56/99/656815699.db2.gz PUNJZHFVOPOOIC-NSHDSACASA-N 1 3 276.406 -1.437 20 0 CAADHO O=S(=O)(N1CC[NH2+]CC1)N1CCNCCNCC1 ZINC000923691461 656815798 /nfs/dbraw/zinc/81/57/98/656815798.db2.gz FILKCBGRRSZAIE-UHFFFAOYSA-N 1 3 277.394 -2.369 20 0 CAADHO [NH3+]CC[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923696831 656816049 /nfs/dbraw/zinc/81/60/49/656816049.db2.gz FKPXGCXBDZHGPA-SNVBAGLBSA-N 1 3 262.379 -1.193 20 0 CAADHO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCNCCNCC1 ZINC000923693557 656816082 /nfs/dbraw/zinc/81/60/82/656816082.db2.gz PUNJZHFVOPOOIC-LLVKDONJSA-N 1 3 276.406 -1.437 20 0 CAADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)C[C@H]1[NH3+] ZINC000926336640 656821847 /nfs/dbraw/zinc/82/18/47/656821847.db2.gz ZAAMOOHGSJICBZ-GRYCIOLGSA-N 1 3 298.387 -1.419 20 0 CAADHO O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594540 656976491 /nfs/dbraw/zinc/97/64/91/656976491.db2.gz JOOFQWLNDAYBLT-NEPJUHHUSA-N 1 3 283.372 -1.517 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114779028 782213774 /nfs/dbraw/zinc/21/37/74/782213774.db2.gz WBYWKTMGZAXUGN-IMRBUKKESA-N 1 3 285.388 -1.007 20 0 CAADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047429565 782474708 /nfs/dbraw/zinc/47/47/08/782474708.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 1 3 285.388 -1.034 20 0 CAADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047429565 782474713 /nfs/dbraw/zinc/47/47/13/782474713.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 1 3 285.388 -1.034 20 0 CAADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047429564 782474896 /nfs/dbraw/zinc/47/48/96/782474896.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 1 3 285.388 -1.034 20 0 CAADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047429564 782474900 /nfs/dbraw/zinc/47/49/00/782474900.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 1 3 285.388 -1.034 20 0 CAADHO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1CC[NH3+] ZINC000903496554 782534974 /nfs/dbraw/zinc/53/49/74/782534974.db2.gz SEXILFMSRYGFTJ-GHMZBOCLSA-N 1 3 268.361 -1.139 20 0 CAADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133285753 776774098 /nfs/dbraw/zinc/77/40/98/776774098.db2.gz HFZSLJZRFOCBEH-SECBINFHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCCNS(C)(=O)=O ZINC001133291450 776774323 /nfs/dbraw/zinc/77/43/23/776774323.db2.gz QFSOJMHRTDPGNU-UHFFFAOYSA-N 1 3 280.394 -1.807 20 0 CAADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001133291742 776774504 /nfs/dbraw/zinc/77/45/04/776774504.db2.gz YDXINEVEJNJGPJ-QMMMGPOBSA-N 1 3 273.337 -1.773 20 0 CAADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001133281708 776774520 /nfs/dbraw/zinc/77/45/20/776774520.db2.gz ILHUPGMEUDVNGC-UHFFFAOYSA-N 1 3 285.348 -1.771 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133290971 776774759 /nfs/dbraw/zinc/77/47/59/776774759.db2.gz GMEKPIFEGCJXDH-SNVBAGLBSA-N 1 3 256.350 -1.125 20 0 CAADHO CN(C[C@H](O)C[NH2+]CCO)C(=O)Cc1c[nH]cn1 ZINC001284447792 777944354 /nfs/dbraw/zinc/94/43/54/777944354.db2.gz WRGFDAFOSMRFAC-SNVBAGLBSA-N 1 3 256.306 -1.647 20 0 CAADHO CN1CCN(C)[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120595744 779643481 /nfs/dbraw/zinc/64/34/81/779643481.db2.gz IZLWGDYVWYASFE-ZDUSSCGKSA-N 1 3 298.435 -1.563 20 0 CAADHO NCCS(=O)(=O)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001239016672 780527074 /nfs/dbraw/zinc/52/70/74/780527074.db2.gz MZLJFNRGQYZKPB-UHFFFAOYSA-N 1 3 276.362 -2.171 20 0 CAADHO CN(C)C[C@@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001238985564 780527249 /nfs/dbraw/zinc/52/72/49/780527249.db2.gz CYXUMBIEWBJVQN-SECBINFHSA-N 1 3 251.352 -1.463 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)CNCCO2 ZINC001239010101 780527499 /nfs/dbraw/zinc/52/74/99/780527499.db2.gz MTSMNAONGFFKRN-UHFFFAOYSA-N 1 3 289.401 -1.010 20 0 CAADHO NCCS(=O)(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001239012208 780527851 /nfs/dbraw/zinc/52/78/51/780527851.db2.gz KKTXOBYOPBARHY-LLVKDONJSA-N 1 3 288.373 -2.314 20 0 CAADHO COC(=O)[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)CCN)C1 ZINC001239088875 780530238 /nfs/dbraw/zinc/53/02/38/780530238.db2.gz NAFYSQNKDITCPZ-YUMQZZPRSA-N 1 3 265.335 -1.903 20 0 CAADHO NCCS(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095832 780530696 /nfs/dbraw/zinc/53/06/96/780530696.db2.gz MMIYTCHXGSENNR-UHFFFAOYSA-N 1 3 279.410 -2.641 20 0 CAADHO CN(C)S(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239094471 780530780 /nfs/dbraw/zinc/53/07/80/780530780.db2.gz WGTLZRYNOUIMEA-UHFFFAOYSA-N 1 3 279.410 -2.123 20 0 CAADHO NS(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095433 780530828 /nfs/dbraw/zinc/53/08/28/780530828.db2.gz BMHDRICPLISKLC-UHFFFAOYSA-N 1 3 251.356 -2.726 20 0 CAADHO COCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCN ZINC001239135082 780533425 /nfs/dbraw/zinc/53/34/25/780533425.db2.gz USDJFZNFEVULJU-VIFPVBQESA-N 1 3 251.352 -1.415 20 0 CAADHO COCCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCN ZINC001239168598 780534493 /nfs/dbraw/zinc/53/44/93/780534493.db2.gz CKHRYZSCSRKCRJ-JTQLQIEISA-N 1 3 265.379 -1.025 20 0 CAADHO NCCS(=O)(=O)N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001239162341 780534982 /nfs/dbraw/zinc/53/49/82/780534982.db2.gz FVSZRIRIQSRJOQ-SNVBAGLBSA-N 1 3 276.406 -1.228 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599037 780558951 /nfs/dbraw/zinc/55/89/51/780558951.db2.gz CESDRXIMNKHQSR-NEPJUHHUSA-N 1 3 282.388 -1.083 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1cncn1C ZINC001221188383 780405334 /nfs/dbraw/zinc/40/53/34/780405334.db2.gz VBABHCHKJXDFEP-QWRGUYRKSA-N 1 3 297.359 -1.313 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221277906 780409650 /nfs/dbraw/zinc/40/96/50/780409650.db2.gz AVHFSGIJUBBAAA-ZCFIWIBFSA-N 1 3 270.255 -1.153 20 0 CAADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221269566 780413055 /nfs/dbraw/zinc/41/30/55/780413055.db2.gz QHKMJNXZHBKQTR-JTNHKYCSSA-N 1 3 280.372 -1.030 20 0 CAADHO O=S(=O)([N-][C@H]1CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238087931 780512433 /nfs/dbraw/zinc/51/24/33/780512433.db2.gz YZNBRWSSNXRVOH-CIUDSAMLSA-N 1 3 251.327 -1.032 20 0 CAADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238058033 780512921 /nfs/dbraw/zinc/51/29/21/780512921.db2.gz YZNBRWSSNXRVOH-HRDYMLBCSA-N 1 3 251.327 -1.032 20 0 CAADHO NCCS(=O)(=O)NCCCCN1CC[NH2+]CC1 ZINC001238074320 780513244 /nfs/dbraw/zinc/51/32/44/780513244.db2.gz KAYZORGNROHIPS-UHFFFAOYSA-N 1 3 264.395 -1.450 20 0 CAADHO [NH3+]CCS(=O)(=O)NCc1nnn2c1CNCCC2 ZINC001238248107 780515734 /nfs/dbraw/zinc/51/57/34/780515734.db2.gz PQQSSHSLBMGEFR-UHFFFAOYSA-N 1 3 274.350 -1.851 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001238271699 780515814 /nfs/dbraw/zinc/51/58/14/780515814.db2.gz OMIHFERIAUBNBS-VIFPVBQESA-N 1 3 263.363 -1.224 20 0 CAADHO COC(=O)C1([N-]S(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238398394 780518521 /nfs/dbraw/zinc/51/85/21/780518521.db2.gz JFAUVYJGPSLKQQ-UHFFFAOYSA-N 1 3 265.335 -1.840 20 0 CAADHO NCCS(=O)(=O)NC[C@@H](O)C1CC[NH2+]CC1 ZINC001238514648 780519158 /nfs/dbraw/zinc/51/91/58/780519158.db2.gz YZIBFKJYLXGTFQ-SECBINFHSA-N 1 3 251.352 -1.775 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238540267 780519465 /nfs/dbraw/zinc/51/94/65/780519465.db2.gz CQCFHYGTAKGGOC-UWVGGRQHSA-N 1 3 263.363 -1.224 20 0 CAADHO CCOC(=O)C1(CNS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238697114 780521864 /nfs/dbraw/zinc/52/18/64/780521864.db2.gz OXXRBJIBXYBNBQ-UHFFFAOYSA-N 1 3 293.389 -1.203 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@@](O)(C[NH3+])CC1 ZINC001238932944 780524349 /nfs/dbraw/zinc/52/43/49/780524349.db2.gz CADMIZUGNODYPC-VIFPVBQESA-N 1 3 251.352 -1.549 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238837775 780525081 /nfs/dbraw/zinc/52/50/81/780525081.db2.gz VUVLPAVNTQIQMP-IUCAKERBSA-N 1 3 279.362 -1.452 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@](O)(C[NH3+])CC1 ZINC001238932932 780525903 /nfs/dbraw/zinc/52/59/03/780525903.db2.gz CADMIZUGNODYPC-SECBINFHSA-N 1 3 251.352 -1.549 20 0 CAADHO COCCN1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263097116 780719591 /nfs/dbraw/zinc/71/95/91/780719591.db2.gz MZGXMBSZXVHPTF-LLVKDONJSA-N 1 3 259.350 -1.077 20 0 CAADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC001263103367 780720289 /nfs/dbraw/zinc/72/02/89/780720289.db2.gz XFBVVOKCAFPNGK-QWHCGFSZSA-N 1 3 286.420 -1.044 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099988253 782847821 /nfs/dbraw/zinc/84/78/21/782847821.db2.gz FVWGTARKHQXXAQ-NEPJUHHUSA-N 1 3 273.377 -1.128 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115241924 782880597 /nfs/dbraw/zinc/88/05/97/782880597.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 1 3 297.399 -1.007 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115241924 782880603 /nfs/dbraw/zinc/88/06/03/782880603.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 1 3 297.399 -1.007 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115241925 782880893 /nfs/dbraw/zinc/88/08/93/782880893.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 1 3 297.399 -1.007 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115241925 782880900 /nfs/dbraw/zinc/88/09/00/782880900.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 1 3 297.399 -1.007 20 0 CAADHO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046366 782885725 /nfs/dbraw/zinc/88/57/25/782885725.db2.gz GHQINSOVTZVGJQ-KBPBESRZSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046366 782885730 /nfs/dbraw/zinc/88/57/30/782885730.db2.gz GHQINSOVTZVGJQ-KBPBESRZSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001219557781 775289238 /nfs/dbraw/zinc/28/92/38/775289238.db2.gz DFXNUZRYTIFEMG-GJMOJQLCSA-N 1 3 251.352 -2.137 20 0 CAADHO CN(CCNCC(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001267447074 775245709 /nfs/dbraw/zinc/24/57/09/775245709.db2.gz IOXAINBZFHQSNO-UHFFFAOYSA-N 1 3 286.376 -1.370 20 0 CAADHO CS(=O)(=O)N(CC[NH3+])C(=O)C1CCCS1(=O)=O ZINC001143466082 775253611 /nfs/dbraw/zinc/25/36/11/775253611.db2.gz KCXIMVLGBWCYGK-ZETCQYMHSA-N 1 3 284.359 -1.690 20 0 CAADHO O=C(NC1(CCO)COC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220172790 775294793 /nfs/dbraw/zinc/29/47/93/775294793.db2.gz BNRVYVVMLZABCK-ZWNOBZJWSA-N 1 3 269.345 -1.547 20 0 CAADHO CC(C)N1CC(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159148 775294851 /nfs/dbraw/zinc/29/48/51/775294851.db2.gz NCOIUOXDDAZKHE-CYBMUJFWSA-N 1 3 283.420 -1.054 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1COCCN1 ZINC001220431788 775295888 /nfs/dbraw/zinc/29/58/88/775295888.db2.gz PNXBYFARVNXFOA-VXGBXAGGSA-N 1 3 285.392 -2.159 20 0 CAADHO CCOC(=O)C1=C(NC(=O)C[C@H](O)C[NH3+])CCNC1 ZINC001220522059 775296688 /nfs/dbraw/zinc/29/66/88/775296688.db2.gz ZUNROCRIYMWOFJ-QMMMGPOBSA-N 1 3 271.317 -1.377 20 0 CAADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220885032 775299008 /nfs/dbraw/zinc/29/90/08/775299008.db2.gz WHRQTMUNVJOOET-ZJUUUORDSA-N 1 3 287.385 -1.369 20 0 CAADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220885029 775299880 /nfs/dbraw/zinc/29/98/80/775299880.db2.gz WHRQTMUNVJOOET-NXEZZACHSA-N 1 3 287.385 -1.369 20 0 CAADHO N[C@@H](C(=O)NC[C@@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370799 775301359 /nfs/dbraw/zinc/30/13/59/775301359.db2.gz UIVVVIVEOASPGY-RKDXNWHRSA-N 1 3 256.306 -1.462 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508198 775350599 /nfs/dbraw/zinc/35/05/99/775350599.db2.gz CAYRJZJYCHCMCV-IDJBCLPUSA-N 1 3 275.374 -1.732 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001268332061 775405586 /nfs/dbraw/zinc/40/55/86/775405586.db2.gz MBEQQLAOPMWCPX-JTQLQIEISA-N 1 3 270.333 -1.290 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCCO ZINC001268332063 775405688 /nfs/dbraw/zinc/40/56/88/775405688.db2.gz MBEQQLAOPMWCPX-SNVBAGLBSA-N 1 3 270.333 -1.290 20 0 CAADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001268700635 775469776 /nfs/dbraw/zinc/46/97/76/775469776.db2.gz MHHFEWNDDZQHQI-UWVGGRQHSA-N 1 3 256.350 -1.079 20 0 CAADHO CN(C[C@H](O)C[NH2+]CCO)C(=O)CN(C)C1CCC1 ZINC001284414955 775492678 /nfs/dbraw/zinc/49/26/78/775492678.db2.gz AADZQWGJXXAYEB-GFCCVEGCSA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCO)CCC1 ZINC001272434203 775911813 /nfs/dbraw/zinc/91/18/13/775911813.db2.gz BSAUFLKWKFQJRY-SNVBAGLBSA-N 1 3 259.350 -1.470 20 0 CAADHO O=C(NCCN[C@H]1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475103 775985382 /nfs/dbraw/zinc/98/53/82/775985382.db2.gz QKHZPIHJMDBASY-RYUDHWBXSA-N 1 3 280.372 -1.078 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466502 775985589 /nfs/dbraw/zinc/98/55/89/775985589.db2.gz QHPOULOXNOWPEG-GXSJLCMTSA-N 1 3 268.361 -1.092 20 0 CAADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475104 775985934 /nfs/dbraw/zinc/98/59/34/775985934.db2.gz QKHZPIHJMDBASY-VXGBXAGGSA-N 1 3 280.372 -1.078 20 0 CAADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475448 775986687 /nfs/dbraw/zinc/98/66/87/775986687.db2.gz VPDZAMCCTKAUPM-SNVBAGLBSA-N 1 3 297.359 -1.771 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473931 775986833 /nfs/dbraw/zinc/98/68/33/775986833.db2.gz DOCYPXQMQUPAGP-SNVBAGLBSA-N 1 3 254.334 -1.481 20 0 CAADHO CNC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558382 775992201 /nfs/dbraw/zinc/99/22/01/775992201.db2.gz KWVACKDGYQMIGV-UHFFFAOYSA-N 1 3 296.375 -1.490 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(N)=O)CC[N@@H+]1C ZINC001127695416 776001553 /nfs/dbraw/zinc/00/15/53/776001553.db2.gz KGCLWGDWCSKVRU-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(N)=O)CC[N@H+]1C ZINC001127695416 776001567 /nfs/dbraw/zinc/00/15/67/776001567.db2.gz KGCLWGDWCSKVRU-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124877360 776016654 /nfs/dbraw/zinc/01/66/54/776016654.db2.gz GNZFKPREYWQUBG-UWVGGRQHSA-N 1 3 282.344 -1.408 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CNCC[C@H]1O ZINC001238043692 776018104 /nfs/dbraw/zinc/01/81/04/776018104.db2.gz DQWCQVPCBFAQBX-GHMZBOCLSA-N 1 3 277.390 -1.372 20 0 CAADHO NCCS(=O)(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001238328698 776029210 /nfs/dbraw/zinc/02/92/10/776029210.db2.gz TUDDUMBIVKODEL-WDEREUQCSA-N 1 3 293.389 -1.740 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778432 776041411 /nfs/dbraw/zinc/04/14/11/776041411.db2.gz DUISSKIRMREXKI-WDEREUQCSA-N 1 3 284.360 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778432 776041418 /nfs/dbraw/zinc/04/14/18/776041418.db2.gz DUISSKIRMREXKI-WDEREUQCSA-N 1 3 284.360 -1.699 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777753 776041649 /nfs/dbraw/zinc/04/16/49/776041649.db2.gz BNMWKLJPCVZCMB-VHSXEESVSA-N 1 3 270.333 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777753 776041657 /nfs/dbraw/zinc/04/16/57/776041657.db2.gz BNMWKLJPCVZCMB-VHSXEESVSA-N 1 3 270.333 -1.959 20 0 CAADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001128774911 776212395 /nfs/dbraw/zinc/21/23/95/776212395.db2.gz ZAPNPUHOLHHXDL-JTQLQIEISA-N 1 3 299.375 -1.239 20 0 CAADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001128774911 776212400 /nfs/dbraw/zinc/21/24/00/776212400.db2.gz ZAPNPUHOLHHXDL-JTQLQIEISA-N 1 3 299.375 -1.239 20 0 CAADHO O=S(=O)(N[C@H]1CCC[NH2+]CC1)N1CCNCC1 ZINC000828388874 776487013 /nfs/dbraw/zinc/48/70/13/776487013.db2.gz XSMZJCSNIVCCRX-JTQLQIEISA-N 1 3 262.379 -1.132 20 0 CAADHO NCc1cnnn1-c1nccnc1N1CC[NH2+]CC1 ZINC001169304577 776525007 /nfs/dbraw/zinc/52/50/07/776525007.db2.gz ZHTVAKVKZMCAAB-UHFFFAOYSA-N 1 3 260.305 -1.074 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363513 776540423 /nfs/dbraw/zinc/54/04/23/776540423.db2.gz ILDWOWTYWXUXIM-LBPRGKRZSA-N 1 3 298.387 -1.179 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363513 776540432 /nfs/dbraw/zinc/54/04/32/776540432.db2.gz ILDWOWTYWXUXIM-LBPRGKRZSA-N 1 3 298.387 -1.179 20 0 CAADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001129364109 776541107 /nfs/dbraw/zinc/54/11/07/776541107.db2.gz PGCGFFPYQQRBCZ-SECBINFHSA-N 1 3 299.375 -1.240 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363512 776541343 /nfs/dbraw/zinc/54/13/43/776541343.db2.gz ILDWOWTYWXUXIM-GFCCVEGCSA-N 1 3 298.387 -1.179 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363512 776541352 /nfs/dbraw/zinc/54/13/52/776541352.db2.gz ILDWOWTYWXUXIM-GFCCVEGCSA-N 1 3 298.387 -1.179 20 0 CAADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545309 776584437 /nfs/dbraw/zinc/58/44/37/776584437.db2.gz OTUWFRNDMQQQRN-QCLAVDOMSA-N 1 3 259.281 -1.355 20 0 CAADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157544975 776584925 /nfs/dbraw/zinc/58/49/25/776584925.db2.gz KHGWOJACGUQCPP-DKIAZLNASA-N 1 3 274.340 -1.016 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC(C)([NH3+])C1)C(N)=O ZINC001157650900 776591825 /nfs/dbraw/zinc/59/18/25/776591825.db2.gz GYTZUHVOBQCNKI-JGVFFNPUSA-N 1 3 285.348 -2.357 20 0 CAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(C)([NH3+])C2)COC1(C)C ZINC001157650572 776592225 /nfs/dbraw/zinc/59/22/25/776592225.db2.gz CFCUODCZWATWAS-IUCAKERBSA-N 1 3 284.360 -1.143 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157716526 776599760 /nfs/dbraw/zinc/59/97/60/776599760.db2.gz PAYJUEABDNUZIC-FIQHERPVSA-N 1 3 268.361 -1.617 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729671 776600355 /nfs/dbraw/zinc/60/03/55/776600355.db2.gz GIFFMGDNUKHKLI-DCAQKATOSA-N 1 3 271.336 -1.026 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862251 776620749 /nfs/dbraw/zinc/62/07/49/776620749.db2.gz DJYOSVQCOVIGMV-JTQLQIEISA-N 1 3 282.344 -1.198 20 0 CAADHO N[C@H](C(=O)N1CC(=O)N(C2CC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001157863443 776620819 /nfs/dbraw/zinc/62/08/19/776620819.db2.gz YILWRLINVJFZDI-ZDUSSCGKSA-N 1 3 294.355 -1.327 20 0 CAADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435771 776620852 /nfs/dbraw/zinc/62/08/52/776620852.db2.gz IXZRGASGRCHVMS-CMPLNLGQSA-N 1 3 296.371 -1.162 20 0 CAADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001129435079 776621188 /nfs/dbraw/zinc/62/11/88/776621188.db2.gz AKKLNUVZTUPQPQ-SNVBAGLBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001129448625 776621952 /nfs/dbraw/zinc/62/19/52/776621952.db2.gz DDCVMGATUJRWQV-WPRPVWTQSA-N 1 3 299.375 -1.384 20 0 CAADHO CC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001130205081 776646607 /nfs/dbraw/zinc/64/66/07/776646607.db2.gz GGRDKHBAWYAUJO-SNVBAGLBSA-N 1 3 294.421 -1.418 20 0 CAADHO N[C@H](C(=O)N1CC[C@@H](O)[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936103 776646826 /nfs/dbraw/zinc/64/68/26/776646826.db2.gz XOOXXGDFETTXNX-UTUOFQBUSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@H](C(=O)N1CC[C@H](O)[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936104 776647023 /nfs/dbraw/zinc/64/70/23/776647023.db2.gz XOOXXGDFETTXNX-WOPDTQHZSA-N 1 3 271.361 -1.485 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1O ZINC001157944283 776649745 /nfs/dbraw/zinc/64/97/45/776649745.db2.gz JKEPDVXDKMOGSD-JBLDHEPKSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@@H]1O ZINC001157944211 776650497 /nfs/dbraw/zinc/65/04/97/776650497.db2.gz IQKGXSDTQZECMN-SGMGOOAPSA-N 1 3 285.388 -1.095 20 0 CAADHO C[C@@]1(CO)CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1O ZINC001157944284 776650662 /nfs/dbraw/zinc/65/06/62/776650662.db2.gz JKEPDVXDKMOGSD-NHCYSSNCSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@H]1O ZINC001157947019 776653291 /nfs/dbraw/zinc/65/32/91/776653291.db2.gz QIADPJZIQCFCNN-NQBHXWOUSA-N 1 3 283.372 -1.613 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@@H]1O ZINC001157947020 776653404 /nfs/dbraw/zinc/65/34/04/776653404.db2.gz QIADPJZIQCFCNN-NTZNESFSSA-N 1 3 283.372 -1.613 20 0 CAADHO C[C@@]1(CO)CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]1O ZINC001157945840 776653495 /nfs/dbraw/zinc/65/34/95/776653495.db2.gz LVIXQTKYMSSBQA-NHCYSSNCSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@H]1O ZINC001157945822 776653551 /nfs/dbraw/zinc/65/35/51/776653551.db2.gz LVIXQTKYMSSBQA-HOSYDEDBSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@H]1O ZINC001157947010 776653590 /nfs/dbraw/zinc/65/35/90/776653590.db2.gz QIADPJZIQCFCNN-DMDPSCGWSA-N 1 3 283.372 -1.613 20 0 CAADHO O=C(NCC[NH2+]CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521778 776692912 /nfs/dbraw/zinc/69/29/12/776692912.db2.gz HIRBXGGJCDBURR-LXVYMNJGSA-N 1 3 283.372 -1.062 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519609 776693205 /nfs/dbraw/zinc/69/32/05/776693205.db2.gz HMIKOWABTJXHKN-RUETXSTFSA-N 1 3 282.344 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519609 776693212 /nfs/dbraw/zinc/69/32/12/776693212.db2.gz HMIKOWABTJXHKN-RUETXSTFSA-N 1 3 282.344 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519608 776693918 /nfs/dbraw/zinc/69/39/18/776693918.db2.gz HMIKOWABTJXHKN-QUNCOHTASA-N 1 3 282.344 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519608 776693927 /nfs/dbraw/zinc/69/39/27/776693927.db2.gz HMIKOWABTJXHKN-QUNCOHTASA-N 1 3 282.344 -1.959 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422820 776695275 /nfs/dbraw/zinc/69/52/75/776695275.db2.gz LVSMUVOJGPIZQS-GARJFASQSA-N 1 3 266.345 -1.720 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422822 776695403 /nfs/dbraw/zinc/69/54/03/776695403.db2.gz LVSMUVOJGPIZQS-VWYCJHECSA-N 1 3 266.345 -1.720 20 0 CAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001158628799 776739033 /nfs/dbraw/zinc/73/90/33/776739033.db2.gz ACMQAGSSVDKABL-VLEAKVRGSA-N 1 3 286.376 -1.638 20 0 CAADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132993022 776755430 /nfs/dbraw/zinc/75/54/30/776755430.db2.gz JXKAWNUMBUYBRQ-SECBINFHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001132992893 776755723 /nfs/dbraw/zinc/75/57/23/776755723.db2.gz IRSVWDSJSKFLIX-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001132995194 776756374 /nfs/dbraw/zinc/75/63/74/776756374.db2.gz NMCGVPQVTYRPFM-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992591 776756668 /nfs/dbraw/zinc/75/66/68/776756668.db2.gz CXBUQYNTSVYWQT-UHFFFAOYSA-N 1 3 299.375 -1.510 20 0 CAADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(N)=O ZINC001133040185 776757491 /nfs/dbraw/zinc/75/74/91/776757491.db2.gz FGMIOXVPZIDNAV-UHFFFAOYSA-N 1 3 273.337 -1.771 20 0 CAADHO C[NH+](C)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001133040160 776757863 /nfs/dbraw/zinc/75/78/63/776757863.db2.gz DDFWXFHZGRVMCH-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH+](C)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001133040159 776757959 /nfs/dbraw/zinc/75/79/59/776757959.db2.gz DDFWXFHZGRVMCH-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133294638 776775329 /nfs/dbraw/zinc/77/53/29/776775329.db2.gz OCWHOSYORTUWPT-UHFFFAOYSA-N 1 3 299.375 -1.368 20 0 CAADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001133297395 776775886 /nfs/dbraw/zinc/77/58/86/776775886.db2.gz MRJQHNRWLFMZST-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO COCCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294469 776776117 /nfs/dbraw/zinc/77/61/17/776776117.db2.gz KEEMDZPTUAXIPB-UHFFFAOYSA-N 1 3 288.392 -1.203 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294525 776776526 /nfs/dbraw/zinc/77/65/26/776776526.db2.gz MERFFLLHVZVWFB-UHFFFAOYSA-N 1 3 273.337 -1.901 20 0 CAADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845530 776789055 /nfs/dbraw/zinc/78/90/55/776789055.db2.gz IDKRVZBOIOMKLE-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845528 776788996 /nfs/dbraw/zinc/78/89/96/776788996.db2.gz IDKRVZBOIOMKLE-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845528 776788999 /nfs/dbraw/zinc/78/89/99/776788999.db2.gz IDKRVZBOIOMKLE-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845530 776789048 /nfs/dbraw/zinc/78/90/48/776789048.db2.gz IDKRVZBOIOMKLE-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845886 776789518 /nfs/dbraw/zinc/78/95/18/776789518.db2.gz PKUNQHSVCCWZCK-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845886 776789521 /nfs/dbraw/zinc/78/95/21/776789521.db2.gz PKUNQHSVCCWZCK-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819678 776789717 /nfs/dbraw/zinc/78/97/17/776789717.db2.gz LCLOBMMWOMJYCV-JTQLQIEISA-N 1 3 299.375 -1.368 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819678 776789721 /nfs/dbraw/zinc/78/97/21/776789721.db2.gz LCLOBMMWOMJYCV-JTQLQIEISA-N 1 3 299.375 -1.368 20 0 CAADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846266 776790764 /nfs/dbraw/zinc/79/07/64/776790764.db2.gz XNQNQOHGMQEBNC-QWRGUYRKSA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863546 776790804 /nfs/dbraw/zinc/79/08/04/776790804.db2.gz NWAKOMWBLQPVDV-MNOVXSKESA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863546 776790807 /nfs/dbraw/zinc/79/08/07/776790807.db2.gz NWAKOMWBLQPVDV-MNOVXSKESA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@@H]1CC[N@H+](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133845756 776790826 /nfs/dbraw/zinc/79/08/26/776790826.db2.gz MRNJEJOGSDMTIL-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133845756 776790831 /nfs/dbraw/zinc/79/08/31/776790831.db2.gz MRNJEJOGSDMTIL-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864329 776792575 /nfs/dbraw/zinc/79/25/75/776792575.db2.gz ZBXGHROERIFYBZ-RKDXNWHRSA-N 1 3 285.348 -1.915 20 0 CAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864329 776792578 /nfs/dbraw/zinc/79/25/78/776792578.db2.gz ZBXGHROERIFYBZ-RKDXNWHRSA-N 1 3 285.348 -1.915 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869834 776793192 /nfs/dbraw/zinc/79/31/92/776793192.db2.gz MHUHXPBCQMNWQT-UWVGGRQHSA-N 1 3 299.375 -1.655 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869834 776793195 /nfs/dbraw/zinc/79/31/95/776793195.db2.gz MHUHXPBCQMNWQT-UWVGGRQHSA-N 1 3 299.375 -1.655 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001133965703 776797509 /nfs/dbraw/zinc/79/75/09/776797509.db2.gz GGRDKHBAWYAUJO-JTQLQIEISA-N 1 3 294.421 -1.418 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001133963417 776797534 /nfs/dbraw/zinc/79/75/34/776797534.db2.gz UMRQCCIULYADFQ-ZJUUUORDSA-N 1 3 284.360 -1.162 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001133967865 776798063 /nfs/dbraw/zinc/79/80/63/776798063.db2.gz GSKXMNWEFRYDDE-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001133967864 776798200 /nfs/dbraw/zinc/79/82/00/776798200.db2.gz GSKXMNWEFRYDDE-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001133965846 776798254 /nfs/dbraw/zinc/79/82/54/776798254.db2.gz MHIHPKXIDZPKEJ-JTQLQIEISA-N 1 3 299.375 -1.416 20 0 CAADHO C[C@H](COCC(=O)NCCNCC(N)=O)[NH+]1CCCC1 ZINC001134058635 776803683 /nfs/dbraw/zinc/80/36/83/776803683.db2.gz WWFFNQQLHZKZAV-LLVKDONJSA-N 1 3 286.376 -1.322 20 0 CAADHO C[NH+]1CCC(CC(=O)NCCNCC(N)=O)CC1 ZINC001134780572 776827967 /nfs/dbraw/zinc/82/79/67/776827967.db2.gz MGUVGHZJKRNMLI-UHFFFAOYSA-N 1 3 256.350 -1.091 20 0 CAADHO C[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135119198 776838219 /nfs/dbraw/zinc/83/82/19/776838219.db2.gz YXLKTKYSZAXWQV-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO Cn1cc(CN2CC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178680 779550818 /nfs/dbraw/zinc/55/08/18/779550818.db2.gz FDAGNIRRPOZAEY-VIFPVBQESA-N 1 3 252.318 -1.135 20 0 CAADHO [NH3+]CC1(O)CCN(CC(=O)N2CCNCC2)CC1 ZINC001118198921 779553353 /nfs/dbraw/zinc/55/33/53/779553353.db2.gz ZTHQANZXULOVLA-UHFFFAOYSA-N 1 3 256.350 -1.796 20 0 CAADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC001118862200 779591061 /nfs/dbraw/zinc/59/10/61/779591061.db2.gz VJRWWVSJXMNMKX-JTQLQIEISA-N 1 3 260.338 -1.409 20 0 CAADHO CCN1CCN(C(=O)[C@@H](C)NC(CN)C[NH3+])CC1 ZINC001119682519 779623553 /nfs/dbraw/zinc/62/35/53/779623553.db2.gz LYWAWEUHIPFGTG-SNVBAGLBSA-N 1 3 257.382 -1.585 20 0 CAADHO O=C(NC[C@H]1COCCN1)N1CCNCC[NH2+]CC1 ZINC001120551648 779641412 /nfs/dbraw/zinc/64/14/12/779641412.db2.gz YKMDXDMXFGITFS-NSHDSACASA-N 1 3 271.365 -1.821 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120543034 779641855 /nfs/dbraw/zinc/64/18/55/779641855.db2.gz TXCNMMXDRUKOLZ-MGCOHNPYSA-N 1 3 256.350 -1.140 20 0 CAADHO CCN1CCN(CCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121927965 779653178 /nfs/dbraw/zinc/65/31/78/779653178.db2.gz KRMYJFKZVMRJMZ-CYBMUJFWSA-N 1 3 283.420 -1.356 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001121943643 779654356 /nfs/dbraw/zinc/65/43/56/779654356.db2.gz LPXMUHMZZGGILJ-HTQZYQBOSA-N 1 3 250.293 -1.011 20 0 CAADHO COC[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001122063484 779656266 /nfs/dbraw/zinc/65/62/66/779656266.db2.gz LABGZIVPEOXVOW-CMPLNLGQSA-N 1 3 269.345 -1.140 20 0 CAADHO O=C(N[C@H]1COC2(CNC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122063567 779656645 /nfs/dbraw/zinc/65/66/45/779656645.db2.gz MPNRDAYJOYJPFZ-CWSCBRNRSA-N 1 3 267.329 -1.531 20 0 CAADHO COCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094618 779657543 /nfs/dbraw/zinc/65/75/43/779657543.db2.gz OJXICRVFXSDOMB-GHMZBOCLSA-N 1 3 259.350 -1.077 20 0 CAADHO COCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094621 779657700 /nfs/dbraw/zinc/65/77/00/779657700.db2.gz OJXICRVFXSDOMB-WDEREUQCSA-N 1 3 259.350 -1.077 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119334 779658462 /nfs/dbraw/zinc/65/84/62/779658462.db2.gz NPQOQJFROXPCAD-DMDPSCGWSA-N 1 3 252.362 -1.042 20 0 CAADHO CN1CCNC[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC001122172452 779659454 /nfs/dbraw/zinc/65/94/54/779659454.db2.gz VCYZAGJHSGGBPC-JTQLQIEISA-N 1 3 256.350 -1.486 20 0 CAADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288744 779662994 /nfs/dbraw/zinc/66/29/94/779662994.db2.gz NCFBFJGBCNZRLU-QWHCGFSZSA-N 1 3 281.404 -1.604 20 0 CAADHO C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288745 779663333 /nfs/dbraw/zinc/66/33/33/779663333.db2.gz NCFBFJGBCNZRLU-STQMWFEESA-N 1 3 281.404 -1.604 20 0 CAADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124877101 779719419 /nfs/dbraw/zinc/71/94/19/779719419.db2.gz BOKISNBWTUGVFN-UWVGGRQHSA-N 1 3 256.350 -1.079 20 0 CAADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(N)=O ZINC001124866344 779718934 /nfs/dbraw/zinc/71/89/34/779718934.db2.gz AOQJJLFUGKEVIZ-BDAKNGLRSA-N 1 3 285.348 -1.630 20 0 CAADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001124866347 779719329 /nfs/dbraw/zinc/71/93/29/779719329.db2.gz AOQJJLFUGKEVIZ-RKDXNWHRSA-N 1 3 285.348 -1.630 20 0 CAADHO CN1CCN(C)[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000225355678 779729679 /nfs/dbraw/zinc/72/96/79/779729679.db2.gz AZSAAYLHCSZFET-QWRGUYRKSA-N 1 3 256.350 -1.663 20 0 CAADHO CN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217492 779743623 /nfs/dbraw/zinc/74/36/23/779743623.db2.gz DBNLDXDEFYOBDU-RGOKHQFPSA-N 1 3 269.349 -1.562 20 0 CAADHO CN1CCN(CCC(=O)NCC[NH2+]CCO)CC1 ZINC001143236733 779769599 /nfs/dbraw/zinc/76/95/99/779769599.db2.gz RZSADBWEZZEDAK-UHFFFAOYSA-N 1 3 258.366 -1.678 20 0 CAADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064369 779801700 /nfs/dbraw/zinc/80/17/00/779801700.db2.gz ARMUPYBNBBGPAZ-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064369 779801705 /nfs/dbraw/zinc/80/17/05/779801705.db2.gz ARMUPYBNBBGPAZ-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151049207 779801918 /nfs/dbraw/zinc/80/19/18/779801918.db2.gz KBETVNPZJWMLOM-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151049207 779801925 /nfs/dbraw/zinc/80/19/25/779801925.db2.gz KBETVNPZJWMLOM-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049166 779802034 /nfs/dbraw/zinc/80/20/34/779802034.db2.gz IXTILRHKVDQLFS-VIFPVBQESA-N 1 3 285.348 -1.901 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049166 779802041 /nfs/dbraw/zinc/80/20/41/779802041.db2.gz IXTILRHKVDQLFS-VIFPVBQESA-N 1 3 285.348 -1.901 20 0 CAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049568 779802463 /nfs/dbraw/zinc/80/24/63/779802463.db2.gz SBIMVBGUGQQSOT-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049568 779802466 /nfs/dbraw/zinc/80/24/66/779802466.db2.gz SBIMVBGUGQQSOT-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151049547 779803303 /nfs/dbraw/zinc/80/33/03/779803303.db2.gz RQHCAIRPUYMXKB-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151049547 779803313 /nfs/dbraw/zinc/80/33/13/779803313.db2.gz RQHCAIRPUYMXKB-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049261 779803402 /nfs/dbraw/zinc/80/34/02/779803402.db2.gz LTXUZAHALCWYEN-JTQLQIEISA-N 1 3 256.350 -1.268 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049261 779803408 /nfs/dbraw/zinc/80/34/08/779803408.db2.gz LTXUZAHALCWYEN-JTQLQIEISA-N 1 3 256.350 -1.268 20 0 CAADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074379 779805314 /nfs/dbraw/zinc/80/53/14/779805314.db2.gz XLGRCWRYYSUNOD-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074379 779805323 /nfs/dbraw/zinc/80/53/23/779805323.db2.gz XLGRCWRYYSUNOD-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001152147419 779820697 /nfs/dbraw/zinc/82/06/97/779820697.db2.gz NFUCLFMGTYKLKX-AOOOYVTPSA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001152147419 779820703 /nfs/dbraw/zinc/82/07/03/779820703.db2.gz NFUCLFMGTYKLKX-AOOOYVTPSA-N 1 3 299.375 -1.240 20 0 CAADHO CS(=O)(=O)N(CC[NH3+])c1ncc2c(n1)CCNC2 ZINC001154765933 779865152 /nfs/dbraw/zinc/86/51/52/779865152.db2.gz NESZGWRPQPPHAG-UHFFFAOYSA-N 1 3 271.346 -1.153 20 0 CAADHO CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155789895 779876138 /nfs/dbraw/zinc/87/61/38/779876138.db2.gz GXCMQEHWHJPLJL-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155789896 779876176 /nfs/dbraw/zinc/87/61/76/779876176.db2.gz GXCMQEHWHJPLJL-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001157081645 779894807 /nfs/dbraw/zinc/89/48/07/779894807.db2.gz CHEXBSDEQMAEFB-MIMYLULJSA-N 1 3 295.343 -1.311 20 0 CAADHO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001157081645 779894814 /nfs/dbraw/zinc/89/48/14/779894814.db2.gz CHEXBSDEQMAEFB-MIMYLULJSA-N 1 3 295.343 -1.311 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC2(CNC2)O1 ZINC001157323662 779899496 /nfs/dbraw/zinc/89/94/96/779899496.db2.gz VEFBIJWAUFGOTK-QWRGUYRKSA-N 1 3 298.387 -1.133 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157323940 779899695 /nfs/dbraw/zinc/89/96/95/779899695.db2.gz BAECXVNAHYWPQP-MNOVXSKESA-N 1 3 296.375 -1.361 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CN)OC ZINC001157335080 779899711 /nfs/dbraw/zinc/89/97/11/779899711.db2.gz CWAAEDWINCCUMT-IUCAKERBSA-N 1 3 260.338 -1.680 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCCN1 ZINC001157335236 779899799 /nfs/dbraw/zinc/89/97/99/779899799.db2.gz DTDPMAFDYNDQSL-VHSXEESVSA-N 1 3 271.365 -2.092 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCCN1C ZINC001157344718 779900675 /nfs/dbraw/zinc/90/06/75/779900675.db2.gz UPIOMULIHBBMCR-WDEREUQCSA-N 1 3 285.392 -1.750 20 0 CAADHO CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1=O ZINC001157485429 779904458 /nfs/dbraw/zinc/90/44/58/779904458.db2.gz NCHIJEBTFYEDIW-VIFPVBQESA-N 1 3 252.318 -1.904 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496191 779905782 /nfs/dbraw/zinc/90/57/82/779905782.db2.gz CSGFKPXYLZTNLX-NWDGAFQWSA-N 1 3 298.387 -1.098 20 0 CAADHO CNC(=O)C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157495990 779905791 /nfs/dbraw/zinc/90/57/91/779905791.db2.gz RDQGBLYJDYIYHN-LLVKDONJSA-N 1 3 280.372 -1.220 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496190 779905842 /nfs/dbraw/zinc/90/58/42/779905842.db2.gz CSGFKPXYLZTNLX-NEPJUHHUSA-N 1 3 298.387 -1.098 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496367 779905850 /nfs/dbraw/zinc/90/58/50/779905850.db2.gz CSGFKPXYLZTNLX-RYUDHWBXSA-N 1 3 298.387 -1.098 20 0 CAADHO COC(=O)N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001157508764 779906516 /nfs/dbraw/zinc/90/65/16/779906516.db2.gz ZXXJDEURUNRWNF-SECBINFHSA-N 1 3 258.322 -1.037 20 0 CAADHO COC(=O)N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001157506974 779906777 /nfs/dbraw/zinc/90/67/77/779906777.db2.gz CCDUVTCMTXVATR-VIFPVBQESA-N 1 3 290.389 -1.084 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2cnnc2C1 ZINC001157508352 779906922 /nfs/dbraw/zinc/90/69/22/779906922.db2.gz SOSZOKMYVRTJJJ-VIFPVBQESA-N 1 3 262.317 -1.571 20 0 CAADHO O=C(N1CCn2cnnc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157508702 779907058 /nfs/dbraw/zinc/90/70/58/779907058.db2.gz XBIKEOVVUSZVOS-ZWNOBZJWSA-N 1 3 276.344 -1.181 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(N2CC(F)C2)C1 ZINC001157527322 779907896 /nfs/dbraw/zinc/90/78/96/779907896.db2.gz MJJMXYHFOWZZBK-NSHDSACASA-N 1 3 268.336 -1.340 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157527354 779908000 /nfs/dbraw/zinc/90/80/00/779908000.db2.gz MVZPEAIYQQHSGA-JTQLQIEISA-N 1 3 276.381 -1.130 20 0 CAADHO N[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@H]1F ZINC001157535923 779908077 /nfs/dbraw/zinc/90/80/77/779908077.db2.gz FHVXQIFYVOQRTJ-HRDYMLBCSA-N 1 3 258.297 -2.176 20 0 CAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(C)([NH3+])C1 ZINC001157643617 779909569 /nfs/dbraw/zinc/90/95/69/779909569.db2.gz DUFKCTIXMBVWTH-IUCAKERBSA-N 1 3 254.334 -1.116 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)CNC1CC[NH2+]CC1 ZINC001157715313 779910477 /nfs/dbraw/zinc/91/04/77/779910477.db2.gz DMYJWFAXYIZNBM-LBPRGKRZSA-N 1 3 270.377 -1.225 20 0 CAADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001157716844 779911747 /nfs/dbraw/zinc/91/17/47/779911747.db2.gz TWCDDFFPLHMZDH-TVQRCGJNSA-N 1 3 285.319 -1.091 20 0 CAADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001157721214 779911989 /nfs/dbraw/zinc/91/19/89/779911989.db2.gz VHJDEJHZDNOPTQ-AUSHCKSDSA-N 1 3 277.390 -1.471 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157721255 779912188 /nfs/dbraw/zinc/91/21/88/779912188.db2.gz WEENYITXUTVIAB-JQWIXIFHSA-N 1 3 256.350 -1.486 20 0 CAADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001157716920 779912409 /nfs/dbraw/zinc/91/24/09/779912409.db2.gz TWCDDFFPLHMZDH-ZANVPECISA-N 1 3 285.319 -1.091 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729670 779912691 /nfs/dbraw/zinc/91/26/91/779912691.db2.gz GIFFMGDNUKHKLI-AXFHLTTASA-N 1 3 271.336 -1.026 20 0 CAADHO C[C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1[NH3+] ZINC001157798647 779913375 /nfs/dbraw/zinc/91/33/75/779913375.db2.gz FJTCSZCFJMRKHE-VWYCJHECSA-N 1 3 268.361 -1.488 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810686 779913473 /nfs/dbraw/zinc/91/34/73/779913473.db2.gz PKTIDAIMLLLIBR-KATARQTJSA-N 1 3 299.375 -2.111 20 0 CAADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157844292 779913816 /nfs/dbraw/zinc/91/38/16/779913816.db2.gz VUERPRFPDFRZPZ-GRYCIOLGSA-N 1 3 282.388 -1.097 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854087 779915207 /nfs/dbraw/zinc/91/52/07/779915207.db2.gz ZWJIIPPWMSCWMK-VIFPVBQESA-N 1 3 268.317 -1.588 20 0 CAADHO O=C(N1CC[C@@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157903342 779916478 /nfs/dbraw/zinc/91/64/78/779916478.db2.gz GACXOXVTPIIZMB-FMCLSXCISA-N 1 3 283.372 -1.613 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902504 779916544 /nfs/dbraw/zinc/91/65/44/779916544.db2.gz BVFJVUVTFSJKKN-DCAQKATOSA-N 1 3 269.345 -2.003 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904827 779917708 /nfs/dbraw/zinc/91/77/08/779917708.db2.gz OCUYUYHDBXTNSK-OUAUKWLOSA-N 1 3 259.350 -1.356 20 0 CAADHO N[C@H](C(=O)N1CC[C@@H](O)[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936102 779918669 /nfs/dbraw/zinc/91/86/69/779918669.db2.gz XOOXXGDFETTXNX-TUAOUCFPSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934674 779918964 /nfs/dbraw/zinc/91/89/64/779918964.db2.gz NKPUSHYSWOWAIR-VWYCJHECSA-N 1 3 259.350 -1.356 20 0 CAADHO O=C(N1CC[C@@H](O)[C@@H](CO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157934638 779919054 /nfs/dbraw/zinc/91/90/54/779919054.db2.gz NDIMEJZUQJZLFZ-HKUMRIAESA-N 1 3 283.372 -1.613 20 0 CAADHO O=C(N1CC[C@@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157934637 779919066 /nfs/dbraw/zinc/91/90/66/779919066.db2.gz NDIMEJZUQJZLFZ-FMCLSXCISA-N 1 3 283.372 -1.613 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@@H]1O ZINC001157945240 779920196 /nfs/dbraw/zinc/92/01/96/779920196.db2.gz LASDFCGQBUJULI-JBLDHEPKSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@H]1O ZINC001157947193 779921432 /nfs/dbraw/zinc/92/14/32/779921432.db2.gz RKSQBVNMURSYLW-QHSBEEBCSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@H]1O ZINC001157947196 779921527 /nfs/dbraw/zinc/92/15/27/779921527.db2.gz RKSQBVNMURSYLW-RJZRQDKASA-N 1 3 297.399 -1.223 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157998803 779923610 /nfs/dbraw/zinc/92/36/10/779923610.db2.gz HVDZJGAVQCTPKQ-WDEREUQCSA-N 1 3 286.376 -1.194 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001157998970 779924006 /nfs/dbraw/zinc/92/40/06/779924006.db2.gz LOWUHQQMHZDQMZ-NXEZZACHSA-N 1 3 272.349 -1.584 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001157998971 779924130 /nfs/dbraw/zinc/92/41/30/779924130.db2.gz LOWUHQQMHZDQMZ-UWVGGRQHSA-N 1 3 272.349 -1.584 20 0 CAADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001158015564 779924911 /nfs/dbraw/zinc/92/49/11/779924911.db2.gz SXWAHYFLTCUORO-AEJSXWLSSA-N 1 3 285.319 -1.093 20 0 CAADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001158012986 779925240 /nfs/dbraw/zinc/92/52/40/779925240.db2.gz ASYCKRGIFPQYQK-GHMZBOCLSA-N 1 3 285.388 -1.224 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091988 779925814 /nfs/dbraw/zinc/92/58/14/779925814.db2.gz LANIRYISEVHIIY-GXFFZTMASA-N 1 3 292.343 -2.030 20 0 CAADHO O=C([C@@H]1CNCCN1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100920 779927176 /nfs/dbraw/zinc/92/71/76/779927176.db2.gz CWJZMXITGUNPLY-CABZTGNLSA-N 1 3 267.333 -2.762 20 0 CAADHO NC(C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C(F)(F)F ZINC001158101809 779927383 /nfs/dbraw/zinc/92/73/83/779927383.db2.gz MEYFAVIGNATDPE-CBAPKCEASA-N 1 3 280.250 -1.434 20 0 CAADHO NC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121445 779928440 /nfs/dbraw/zinc/92/84/40/779928440.db2.gz SXBGEFJBLONNBI-QPUJVOFHSA-N 1 3 267.333 -2.790 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168649 779929511 /nfs/dbraw/zinc/92/95/11/779929511.db2.gz WHYUJENRQPAPSN-YUSALJHKSA-N 1 3 279.344 -1.274 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168649 779929516 /nfs/dbraw/zinc/92/95/16/779929516.db2.gz WHYUJENRQPAPSN-YUSALJHKSA-N 1 3 279.344 -1.274 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179112 779930282 /nfs/dbraw/zinc/93/02/82/779930282.db2.gz IHOGPHFXJMKPSX-AXTQLICZSA-N 1 3 289.401 -1.471 20 0 CAADHO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1COC2(CNC2)CN1 ZINC001158187449 779930309 /nfs/dbraw/zinc/93/03/09/779930309.db2.gz QFWMXULABBVJAD-SQLBVSGCSA-N 1 3 266.345 -1.734 20 0 CAADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158235891 779931197 /nfs/dbraw/zinc/93/11/97/779931197.db2.gz TYSUYRPSAUUKSW-KWBADKCTSA-N 1 3 285.344 -1.299 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326763 779932467 /nfs/dbraw/zinc/93/24/67/779932467.db2.gz MLZFSRJGPJUXSZ-NSHDSACASA-N 1 3 298.387 -1.050 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306940 779932687 /nfs/dbraw/zinc/93/26/87/779932687.db2.gz YAVDNXPNVMZWAE-AATLWQCWSA-N 1 3 297.359 -2.486 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306378 779932875 /nfs/dbraw/zinc/93/28/75/779932875.db2.gz RMUGGGHTLUEOOJ-UKFADQEDSA-N 1 3 259.375 -1.097 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158798832 779938929 /nfs/dbraw/zinc/93/89/29/779938929.db2.gz JLUAUCXMFVELHH-JFGNBEQYSA-N 1 3 257.334 -2.003 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@@H](N)CSCC[NH3+] ZINC001158800902 779940013 /nfs/dbraw/zinc/94/00/13/779940013.db2.gz YOJWQQQNOAKZNT-YUMQZZPRSA-N 1 3 251.352 -2.183 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158799869 779940580 /nfs/dbraw/zinc/94/05/80/779940580.db2.gz PXOQTLJDLGYOJZ-WDEREUQCSA-N 1 3 271.361 -1.328 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158799869 779940583 /nfs/dbraw/zinc/94/05/83/779940583.db2.gz PXOQTLJDLGYOJZ-WDEREUQCSA-N 1 3 271.361 -1.328 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001158803550 779940619 /nfs/dbraw/zinc/94/06/19/779940619.db2.gz HJVYNMFAEOSKDC-FRRDWIJNSA-N 1 3 282.388 -1.145 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@@H](N)CSCC[NH3+] ZINC001158800901 779940659 /nfs/dbraw/zinc/94/06/59/779940659.db2.gz YOJWQQQNOAKZNT-SFYZADRCSA-N 1 3 251.352 -2.183 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]2C1=O ZINC001159884642 779952629 /nfs/dbraw/zinc/95/26/29/779952629.db2.gz DUWWTURWNUNGHD-UTLUCORTSA-N 1 3 254.334 -1.401 20 0 CAADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001159854921 779952907 /nfs/dbraw/zinc/95/29/07/779952907.db2.gz XAJUDDUWLUNBGR-UHFFFAOYSA-N 1 3 299.375 -1.239 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@@H]2C1=O ZINC001159886244 779953106 /nfs/dbraw/zinc/95/31/06/779953106.db2.gz LGTUPFRPTUMIDE-OUAUKWLOSA-N 1 3 278.356 -1.658 20 0 CAADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1CC1 ZINC001159916785 779953325 /nfs/dbraw/zinc/95/33/25/779953325.db2.gz SMYLQTOBNKHYNP-LLVKDONJSA-N 1 3 256.350 -1.092 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2C1=O ZINC001159887249 779953363 /nfs/dbraw/zinc/95/33/63/779953363.db2.gz UHJSMLWFRQUTAV-MCYUEQNJSA-N 1 3 292.383 -1.268 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160456121 779960751 /nfs/dbraw/zinc/96/07/51/779960751.db2.gz CELLJSKLVQIIEZ-SECBINFHSA-N 1 3 267.333 -1.982 20 0 CAADHO C[NH2+]CC1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160456304 779961406 /nfs/dbraw/zinc/96/14/06/779961406.db2.gz GQBKLFLDXRYWCB-GFCCVEGCSA-N 1 3 282.388 -1.225 20 0 CAADHO C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160451394 779961464 /nfs/dbraw/zinc/96/14/64/779961464.db2.gz NQOXWPRFVXMUCS-DTWKUNHWSA-N 1 3 252.318 -1.858 20 0 CAADHO CCN(CCC(N)=O)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160471280 779962302 /nfs/dbraw/zinc/96/23/02/779962302.db2.gz UEJAXHDFZVHHKU-SECBINFHSA-N 1 3 254.334 -1.481 20 0 CAADHO CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160477671 779962478 /nfs/dbraw/zinc/96/24/78/779962478.db2.gz BBWUFEAGFSVSAH-VIFPVBQESA-N 1 3 266.345 -1.468 20 0 CAADHO CC1(C)C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160477697 779962655 /nfs/dbraw/zinc/96/26/55/779962655.db2.gz CABQTLOIRRKLHU-QMTHXVAHSA-N 1 3 280.372 -1.078 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC001160470910 779962999 /nfs/dbraw/zinc/96/29/99/779962999.db2.gz KMQJJUJLMBPWEA-VIFPVBQESA-N 1 3 275.374 -1.019 20 0 CAADHO CC1(C)C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160477670 779963054 /nfs/dbraw/zinc/96/30/54/779963054.db2.gz BBWUFEAGFSVSAH-SECBINFHSA-N 1 3 266.345 -1.468 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC([NH3+])CC1)C(N)=O ZINC001160515472 779964218 /nfs/dbraw/zinc/96/42/18/779964218.db2.gz IWPOGKDMQUBUJP-WCBMZHEXSA-N 1 3 299.375 -1.966 20 0 CAADHO CN(C)C(=O)CN(C)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160503692 779964340 /nfs/dbraw/zinc/96/43/40/779964340.db2.gz BZUXNXFYZMYEHI-LLVKDONJSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])CC1 ZINC001160515848 779964421 /nfs/dbraw/zinc/96/44/21/779964421.db2.gz XRRLKYKZKLLFRU-CBAPKCEASA-N 1 3 285.348 -2.357 20 0 CAADHO COC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160531490 779964753 /nfs/dbraw/zinc/96/47/53/779964753.db2.gz QRSIMFSVGVBKGN-NSHDSACASA-N 1 3 286.376 -1.240 20 0 CAADHO COC(=O)CN1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160530976 779965716 /nfs/dbraw/zinc/96/57/16/779965716.db2.gz CUJFXGRAICSIBO-ZDUSSCGKSA-N 1 3 298.387 -1.370 20 0 CAADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1CNCCN1 ZINC001160542577 779965746 /nfs/dbraw/zinc/96/57/46/779965746.db2.gz ZRHLZVZLCJGIPM-KOLCDFICSA-N 1 3 276.344 -1.011 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160549056 779967048 /nfs/dbraw/zinc/96/70/48/779967048.db2.gz NABDOGRSQCNIBR-BDAKNGLRSA-N 1 3 252.318 -1.871 20 0 CAADHO COC(=O)C[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCO1 ZINC001160596202 779967989 /nfs/dbraw/zinc/96/79/89/779967989.db2.gz LTHGDHGQKJFEGI-VHSXEESVSA-N 1 3 273.333 -1.157 20 0 CAADHO CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596130 779968662 /nfs/dbraw/zinc/96/86/62/779968662.db2.gz CPKSVUBXORQPPN-GHMZBOCLSA-N 1 3 297.355 -1.414 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(N2CCNC(=O)C2)C1 ZINC001160637003 779970604 /nfs/dbraw/zinc/97/06/04/779970604.db2.gz MOKJFDOHEIVDIJ-LLVKDONJSA-N 1 3 293.371 -2.562 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636506 779970782 /nfs/dbraw/zinc/97/07/82/779970782.db2.gz IZJWFHQHGQDMGH-NSHDSACASA-N 1 3 283.376 -1.915 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637227 779970851 /nfs/dbraw/zinc/97/08/51/779970851.db2.gz SGJXBPWTRJBWRC-GFCCVEGCSA-N 1 3 298.387 -1.098 20 0 CAADHO N[C@H](C(=O)N1CC(N2CCNC(=O)C2)C1)C1CC[NH2+]CC1 ZINC001160637437 779970964 /nfs/dbraw/zinc/97/09/64/779970964.db2.gz PVNKHSYKCUDARQ-ZDUSSCGKSA-N 1 3 295.387 -2.044 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636530 779971025 /nfs/dbraw/zinc/97/10/25/779971025.db2.gz JEUNCTLKYHCIEZ-JTQLQIEISA-N 1 3 269.349 -2.305 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641164 779972027 /nfs/dbraw/zinc/97/20/27/779972027.db2.gz WSINQXLYRMBSKL-BDAKNGLRSA-N 1 3 256.306 -1.284 20 0 CAADHO N[C@H](C(=O)N1CCN2C(=O)OC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160640629 779972042 /nfs/dbraw/zinc/97/20/42/779972042.db2.gz KDEGWJNSYQOUGR-MNOVXSKESA-N 1 3 282.344 -1.024 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCO1 ZINC001160644119 779972086 /nfs/dbraw/zinc/97/20/86/779972086.db2.gz SRWNCCMOHOVVLV-UWVGGRQHSA-N 1 3 270.333 -2.497 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644145 779972195 /nfs/dbraw/zinc/97/21/95/779972195.db2.gz URJHGPBSEFIGKP-QWRGUYRKSA-N 1 3 267.333 -1.524 20 0 CAADHO CN(C)C1(C)CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001160644956 779972240 /nfs/dbraw/zinc/97/22/40/779972240.db2.gz KOIZUKHZGFHTTN-SNVBAGLBSA-N 1 3 268.361 -1.521 20 0 CAADHO N[C@@H](C(=O)N1CCN2C(=O)OC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160640628 779972378 /nfs/dbraw/zinc/97/23/78/779972378.db2.gz KDEGWJNSYQOUGR-GHMZBOCLSA-N 1 3 282.344 -1.024 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641275 779972489 /nfs/dbraw/zinc/97/24/89/779972489.db2.gz ZZJDPNKZVRSZEY-NXEZZACHSA-N 1 3 280.328 -1.542 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643596 779972697 /nfs/dbraw/zinc/97/26/97/779972697.db2.gz JOMZUDVQUNAZKW-NHCYSSNCSA-N 1 3 286.376 -1.338 20 0 CAADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1F ZINC001160648933 779973525 /nfs/dbraw/zinc/97/35/25/779973525.db2.gz HXYMYTHGVFCHGR-IVZWLZJFSA-N 1 3 272.324 -1.786 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650042 779974123 /nfs/dbraw/zinc/97/41/23/779974123.db2.gz QKWCDYXCRQTVAG-GZJHGJFWSA-N 1 3 265.354 -1.020 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001160662240 779974916 /nfs/dbraw/zinc/97/49/16/779974916.db2.gz WGJPNFFGPUTPBG-VIFPVBQESA-N 1 3 278.378 -1.797 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655122 779974923 /nfs/dbraw/zinc/97/49/23/779974923.db2.gz GVBFIRRBJSNXCN-HZHIYPOLSA-N 1 3 263.363 -1.997 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160661231 779974981 /nfs/dbraw/zinc/97/49/81/779974981.db2.gz OEXRWXAFQPQFKJ-QMMMGPOBSA-N 1 3 296.418 -2.234 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160657029 779975291 /nfs/dbraw/zinc/97/52/91/779975291.db2.gz CECUYJKFHMNKHR-MRVPVSSYSA-N 1 3 264.351 -2.187 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)C1=O ZINC001160656633 779975709 /nfs/dbraw/zinc/97/57/09/779975709.db2.gz ZYWRLKBZRPMRJB-OUAUKWLOSA-N 1 3 284.360 -1.753 20 0 CAADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160696735 779976455 /nfs/dbraw/zinc/97/64/55/779976455.db2.gz YYVRJMRRUKIYHB-NWDGAFQWSA-N 1 3 282.388 -1.225 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160704864 779976959 /nfs/dbraw/zinc/97/69/59/779976959.db2.gz PRINCDXBCWJTJP-IUCAKERBSA-N 1 3 258.322 -1.845 20 0 CAADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160696736 779977317 /nfs/dbraw/zinc/97/73/17/779977317.db2.gz YYVRJMRRUKIYHB-RYUDHWBXSA-N 1 3 282.388 -1.225 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160704704 779978336 /nfs/dbraw/zinc/97/83/36/779978336.db2.gz NQNSDEVPIPWLTB-ZJUUUORDSA-N 1 3 270.333 -1.974 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160704873 779978193 /nfs/dbraw/zinc/97/81/93/779978193.db2.gz PUTNLUUBAJWYTC-BDAKNGLRSA-N 1 3 268.317 -2.492 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160704702 779978212 /nfs/dbraw/zinc/97/82/12/779978212.db2.gz NQNSDEVPIPWLTB-VHSXEESVSA-N 1 3 270.333 -1.974 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160705676 779978421 /nfs/dbraw/zinc/97/84/21/779978421.db2.gz ZNPUJECWBGNKRL-MNOVXSKESA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160705676 779978423 /nfs/dbraw/zinc/97/84/23/779978423.db2.gz ZNPUJECWBGNKRL-MNOVXSKESA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160704880 779978479 /nfs/dbraw/zinc/97/84/79/779978479.db2.gz PUTNLUUBAJWYTC-RKDXNWHRSA-N 1 3 268.317 -2.492 20 0 CAADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001160705398 779978972 /nfs/dbraw/zinc/97/89/72/779978972.db2.gz XLAWWHIALAQHBB-GRYCIOLGSA-N 1 3 280.372 -1.663 20 0 CAADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001160705398 779978978 /nfs/dbraw/zinc/97/89/78/779978978.db2.gz XLAWWHIALAQHBB-GRYCIOLGSA-N 1 3 280.372 -1.663 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1 ZINC001160705159 779978988 /nfs/dbraw/zinc/97/89/88/779978988.db2.gz SSQSSPWHSYYXQQ-GIPNMCIBSA-N 1 3 282.344 -2.102 20 0 CAADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160718387 779979793 /nfs/dbraw/zinc/97/97/93/779979793.db2.gz HULJUXGNQBFQQL-IUCAKERBSA-N 1 3 255.318 -1.185 20 0 CAADHO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCN2CCC1CC2 ZINC001160725896 779980079 /nfs/dbraw/zinc/98/00/79/779980079.db2.gz GZXHRRURRDTQFF-LBPRGKRZSA-N 1 3 280.372 -1.377 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789357 779980931 /nfs/dbraw/zinc/98/09/31/779980931.db2.gz BJWJMVWQSZMQJR-ZJUUUORDSA-N 1 3 270.333 -1.878 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790208 779981294 /nfs/dbraw/zinc/98/12/94/779981294.db2.gz LEFDULUQUWLBFO-MNOVXSKESA-N 1 3 284.360 -1.488 20 0 CAADHO N[C@@H](C(=O)N1CCN2C(=O)COC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160789792 779981471 /nfs/dbraw/zinc/98/14/71/779981471.db2.gz FVVGODBTZMCBSO-DGCLKSJQSA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@@H](C(=O)N1CCN2C(=O)COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160789793 779981491 /nfs/dbraw/zinc/98/14/91/779981491.db2.gz FVVGODBTZMCBSO-WCQYABFASA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789354 779981584 /nfs/dbraw/zinc/98/15/84/779981584.db2.gz BJWJMVWQSZMQJR-UWVGGRQHSA-N 1 3 270.333 -1.878 20 0 CAADHO N[C@@H](C(=O)N1CCn2nncc2C1)C1CC[NH2+]CC1 ZINC001160833106 779982013 /nfs/dbraw/zinc/98/20/13/779982013.db2.gz OPBKDSPNCUKSNU-LLVKDONJSA-N 1 3 264.333 -1.053 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160840198 779983532 /nfs/dbraw/zinc/98/35/32/779983532.db2.gz WNVSYMCDJMDJEN-ZDEQEGDKSA-N 1 3 282.388 -1.275 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160840090 779983689 /nfs/dbraw/zinc/98/36/89/779983689.db2.gz VBTAXFANBFIRDT-VWYCJHECSA-N 1 3 257.334 -1.644 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)CN1CC[NH2+]CC1 ZINC001160840806 779983767 /nfs/dbraw/zinc/98/37/67/779983767.db2.gz ZYEJQTLGMWKQCM-GFCCVEGCSA-N 1 3 270.377 -1.319 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160840193 779984231 /nfs/dbraw/zinc/98/42/31/779984231.db2.gz WNVSYMCDJMDJEN-QNWHQSFQSA-N 1 3 282.388 -1.275 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160839174 779984304 /nfs/dbraw/zinc/98/43/04/779984304.db2.gz OABNPFDIDUYTPZ-MXWKQRLJSA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160840084 779984315 /nfs/dbraw/zinc/98/43/15/779984315.db2.gz VBTAXFANBFIRDT-MXWKQRLJSA-N 1 3 257.334 -1.644 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160839976 779984346 /nfs/dbraw/zinc/98/43/46/779984346.db2.gz SJWMLSDLWDPNLH-DCAQKATOSA-N 1 3 257.334 -1.502 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCN1C ZINC001160871590 779985112 /nfs/dbraw/zinc/98/51/12/779985112.db2.gz XWKZZDIRONYIOZ-MNOVXSKESA-N 1 3 296.371 -1.889 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCN1C ZINC001160871588 779985692 /nfs/dbraw/zinc/98/56/92/779985692.db2.gz XWKZZDIRONYIOZ-GHMZBOCLSA-N 1 3 296.371 -1.889 20 0 CAADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001160883222 779986740 /nfs/dbraw/zinc/98/67/40/779986740.db2.gz HUHZUCRGLWFZKI-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160942824 779988268 /nfs/dbraw/zinc/98/82/68/779988268.db2.gz YELSUSODOICAMS-MISXGVKJSA-N 1 3 280.372 -1.125 20 0 CAADHO [NH3+][C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC(F)(F)C1 ZINC001160966762 779988868 /nfs/dbraw/zinc/98/88/68/779988868.db2.gz BIBFUBHHEFEIIJ-BDAKNGLRSA-N 1 3 290.314 -1.488 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008445 779988991 /nfs/dbraw/zinc/98/89/91/779988991.db2.gz OMBCYINJNKZVCP-NWDGAFQWSA-N 1 3 282.388 -1.395 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000327 779989344 /nfs/dbraw/zinc/98/93/44/779989344.db2.gz RWZPYMOROWQLSH-VXGBXAGGSA-N 1 3 293.371 -1.005 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000327 779989350 /nfs/dbraw/zinc/98/93/50/779989350.db2.gz RWZPYMOROWQLSH-VXGBXAGGSA-N 1 3 293.371 -1.005 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008440 779989562 /nfs/dbraw/zinc/98/95/62/779989562.db2.gz OMBCYINJNKZVCP-NEPJUHHUSA-N 1 3 282.388 -1.395 20 0 CAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161035566 779990664 /nfs/dbraw/zinc/99/06/64/779990664.db2.gz XZEDVPZQLRKFPR-UWVGGRQHSA-N 1 3 254.334 -1.210 20 0 CAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161034890 779991426 /nfs/dbraw/zinc/99/14/26/779991426.db2.gz OJMYOPFIALUNJH-IUCAKERBSA-N 1 3 252.318 -1.728 20 0 CAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161035569 779991450 /nfs/dbraw/zinc/99/14/50/779991450.db2.gz XZEDVPZQLRKFPR-VHSXEESVSA-N 1 3 254.334 -1.210 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161138309 779997152 /nfs/dbraw/zinc/99/71/52/779997152.db2.gz RJXZNEMJFMFAGH-LDYMZIIASA-N 1 3 258.322 -1.845 20 0 CAADHO N[C@H](C(=O)N1CCC2(CNC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161081025 779992644 /nfs/dbraw/zinc/99/26/44/779992644.db2.gz CJQVEMLRVCUBHX-NSHDSACASA-N 1 3 295.387 -1.013 20 0 CAADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001161082879 779992850 /nfs/dbraw/zinc/99/28/50/779992850.db2.gz QACXYMYLWPFNPO-KOLCDFICSA-N 1 3 292.343 -1.480 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081405 779992954 /nfs/dbraw/zinc/99/29/54/779992954.db2.gz JHTNVADANHWPIK-SECBINFHSA-N 1 3 269.349 -1.273 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085164 779994257 /nfs/dbraw/zinc/99/42/57/779994257.db2.gz OMNUNSCZBYYBJK-CIUDSAMLSA-N 1 3 251.286 -1.678 20 0 CAADHO O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161085247 779994397 /nfs/dbraw/zinc/99/43/97/779994397.db2.gz RFNUYIMMMYGGMN-KEPMVKOISA-N 1 3 265.313 -1.288 20 0 CAADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161093755 779995653 /nfs/dbraw/zinc/99/56/53/779995653.db2.gz WIKZUAPHDSZIQT-GHMZBOCLSA-N 1 3 297.355 -1.414 20 0 CAADHO CCN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CN(C)C1 ZINC001161138759 779997988 /nfs/dbraw/zinc/99/79/88/779997988.db2.gz YODKNJNPZXNGSA-LLVKDONJSA-N 1 3 252.362 -1.042 20 0 CAADHO CC(C)(O)CCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001161176850 780001611 /nfs/dbraw/zinc/00/16/11/780001611.db2.gz WMQZRYIPJLWPCT-NEPJUHHUSA-N 1 3 284.404 -1.019 20 0 CAADHO CC(C)(O)CCN1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001161176850 780001619 /nfs/dbraw/zinc/00/16/19/780001619.db2.gz WMQZRYIPJLWPCT-NEPJUHHUSA-N 1 3 284.404 -1.019 20 0 CAADHO C[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@H](C)N1 ZINC001161229575 780001939 /nfs/dbraw/zinc/00/19/39/780001939.db2.gz MRVMMJCXHDREEF-DCAQKATOSA-N 1 3 268.361 -1.474 20 0 CAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161236893 780002634 /nfs/dbraw/zinc/00/26/34/780002634.db2.gz HINMAJQNRKIOSY-WDEREUQCSA-N 1 3 286.376 -1.242 20 0 CAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161236814 780003887 /nfs/dbraw/zinc/00/38/87/780003887.db2.gz GUCMPRWIEJOJPX-VHSXEESVSA-N 1 3 272.349 -1.632 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161244985 780005045 /nfs/dbraw/zinc/00/50/45/780005045.db2.gz ACLFACYKSHACIZ-AATZLJGDSA-N 1 3 265.354 -1.018 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161244986 780005978 /nfs/dbraw/zinc/00/59/78/780005978.db2.gz ACLFACYKSHACIZ-BVMSISANSA-N 1 3 265.354 -1.018 20 0 CAADHO CNC(=O)NC1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001161268018 780006047 /nfs/dbraw/zinc/00/60/47/780006047.db2.gz BEEFFAVIAPREHK-SNVBAGLBSA-N 1 3 271.365 -1.027 20 0 CAADHO CNC(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161268080 780006087 /nfs/dbraw/zinc/00/60/87/780006087.db2.gz COHFXBZVWFJSOD-NSHDSACASA-N 1 3 295.387 -1.285 20 0 CAADHO CNC(=O)NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161268078 780006096 /nfs/dbraw/zinc/00/60/96/780006096.db2.gz COHFXBZVWFJSOD-LLVKDONJSA-N 1 3 295.387 -1.285 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247411 780006154 /nfs/dbraw/zinc/00/61/54/780006154.db2.gz HAYWIANTYOJTIK-JTQLQIEISA-N 1 3 279.348 -1.414 20 0 CAADHO CC(C)N(C(=O)[C@@H]1COC2(CNC2)CN1)[C@H]1CC[NH2+]C1 ZINC001161351151 780008334 /nfs/dbraw/zinc/00/83/34/780008334.db2.gz GENUYCQHVDJUBF-RYUDHWBXSA-N 1 3 282.388 -1.084 20 0 CAADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161372478 780008384 /nfs/dbraw/zinc/00/83/84/780008384.db2.gz JOIFBCVUVGCAQU-JOYOIKCWSA-N 1 3 273.333 -1.157 20 0 CAADHO CC(C)N(C(=O)[C@H]1COC2(CNC2)CN1)[C@H]1CC[NH2+]C1 ZINC001161351147 780008434 /nfs/dbraw/zinc/00/84/34/780008434.db2.gz GENUYCQHVDJUBF-NWDGAFQWSA-N 1 3 282.388 -1.084 20 0 CAADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161373367 780009415 /nfs/dbraw/zinc/00/94/15/780009415.db2.gz PPNBJBLEBFFVNV-GXFFZTMASA-N 1 3 297.355 -1.414 20 0 CAADHO NC[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376791 780009953 /nfs/dbraw/zinc/00/99/53/780009953.db2.gz DFXGCEFPSUARCH-MNOVXSKESA-N 1 3 255.366 -1.704 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001161414029 780011939 /nfs/dbraw/zinc/01/19/39/780011939.db2.gz SDLYJZUWZJZAQB-KXNHARMFSA-N 1 3 280.372 -1.488 20 0 CAADHO CN(C)CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCC[NH2+]C1 ZINC001161444682 780013521 /nfs/dbraw/zinc/01/35/21/780013521.db2.gz JXNZYOQMLYERTB-QWRGUYRKSA-N 1 3 283.376 -1.190 20 0 CAADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161488225 780015357 /nfs/dbraw/zinc/01/53/57/780015357.db2.gz BFDLWBYCIKKUPT-AAEUAGOBSA-N 1 3 282.388 -1.096 20 0 CAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CN)CC2 ZINC001161478675 780016120 /nfs/dbraw/zinc/01/61/20/780016120.db2.gz NPPAJZGREOEMLK-AUTRQRHGSA-N 1 3 270.333 -1.974 20 0 CAADHO N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C1CC[NH2+]CC1 ZINC001161491643 780016722 /nfs/dbraw/zinc/01/67/22/780016722.db2.gz GYORJQKQYYTHNJ-GRYCIOLGSA-N 1 3 281.356 -1.013 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@@H]1[NH3+] ZINC001161493278 780016974 /nfs/dbraw/zinc/01/69/74/780016974.db2.gz IYRYHLPZHFKAQE-ZSXGMWBVSA-N 1 3 263.363 -1.733 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@H](N)Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001161491844 780017136 /nfs/dbraw/zinc/01/71/36/780017136.db2.gz JAYLOUCPYBTXSP-KXUCPTDWSA-N 1 3 253.306 -1.536 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1[NH3+] ZINC001161491385 780017152 /nfs/dbraw/zinc/01/71/52/780017152.db2.gz FAGGQZPCRGTDAT-IVZWLZJFSA-N 1 3 270.333 -2.499 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@@H](N)Cc2cncn2C)C[C@@H]1[NH3+] ZINC001161492320 780017267 /nfs/dbraw/zinc/01/72/67/780017267.db2.gz NQSWRUHDAMGGND-GARJFASQSA-N 1 3 267.333 -1.526 20 0 CAADHO [NH3+][C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CC12COC2 ZINC001161509330 780018436 /nfs/dbraw/zinc/01/84/36/780018436.db2.gz IZIYTKVLGVVVRO-ZJUUUORDSA-N 1 3 282.344 -2.497 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499788 780018587 /nfs/dbraw/zinc/01/85/87/780018587.db2.gz IIHGDHSTJNASPE-NXEZZACHSA-N 1 3 265.317 -1.534 20 0 CAADHO CC(=O)OC[C@H]([NH3+])C(=O)N1CC(N(C)[C@H]2CCOC2)C1 ZINC001161499981 780018878 /nfs/dbraw/zinc/01/88/78/780018878.db2.gz QTHHYGKQIPIKHR-JQWIXIFHSA-N 1 3 285.344 -1.192 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCCNC(N)=O ZINC001161530312 780020940 /nfs/dbraw/zinc/02/09/40/780020940.db2.gz VNRMPXYMVXFVSM-HRDYMLBCSA-N 1 3 257.338 -1.290 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001161529760 780021299 /nfs/dbraw/zinc/02/12/99/780021299.db2.gz GTOZDHQOVQEKET-KXUCPTDWSA-N 1 3 254.334 -1.735 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCNC2(CC2)C1 ZINC001161550048 780022541 /nfs/dbraw/zinc/02/25/41/780022541.db2.gz APEOZCZKLQUIEA-GFCCVEGCSA-N 1 3 281.404 -1.299 20 0 CAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550960 780022620 /nfs/dbraw/zinc/02/26/20/780022620.db2.gz VYBQUJBKTVBSOO-IUCAKERBSA-N 1 3 270.333 -2.225 20 0 CAADHO COCCOC1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161570987 780023249 /nfs/dbraw/zinc/02/32/49/780023249.db2.gz OFPQSUFONCBBRC-LLVKDONJSA-N 1 3 269.345 -1.331 20 0 CAADHO CN1CCN(C)[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250358520 780028946 /nfs/dbraw/zinc/02/89/46/780028946.db2.gz AZSAAYLHCSZFET-GHMZBOCLSA-N 1 3 256.350 -1.663 20 0 CAADHO O=C(NCCC[NH2+]CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872214 780052643 /nfs/dbraw/zinc/05/26/43/780052643.db2.gz KNPLAQUXLNVERH-MBHSVXNSSA-N 1 3 283.372 -1.062 20 0 CAADHO NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872371 780053316 /nfs/dbraw/zinc/05/33/16/780053316.db2.gz PWYNHSLWPJRIEG-CVZZAPKMSA-N 1 3 296.371 -1.569 20 0 CAADHO NCc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncn1 ZINC001165253170 780076903 /nfs/dbraw/zinc/07/69/03/780076903.db2.gz WEODWNMSAPKULS-UHFFFAOYSA-N 1 3 276.344 -1.006 20 0 CAADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001166857718 780098220 /nfs/dbraw/zinc/09/82/20/780098220.db2.gz HUHZUCRGLWFZKI-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CS(=O)(=O)N(c1ncc2c(n1)CC[NH2+]C2)C1CNC1 ZINC001166966416 780100358 /nfs/dbraw/zinc/10/03/58/780100358.db2.gz DZUSCRFSSHCEFT-UHFFFAOYSA-N 1 3 283.357 -1.140 20 0 CAADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001215455895 780157210 /nfs/dbraw/zinc/15/72/10/780157210.db2.gz IHNCEMISZZJFKP-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO Cn1[nH]cnc1=NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218500811 780165785 /nfs/dbraw/zinc/16/57/85/780165785.db2.gz HRHDCQDTBNBJTL-LDYMZIIASA-N 1 3 250.306 -1.625 20 0 CAADHO O=C(Nc1ncnc2n[nH]nc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218515953 780167120 /nfs/dbraw/zinc/16/71/20/780167120.db2.gz OXBUYTDPQRWGSU-ZCFIWIBFSA-N 1 3 274.288 -1.505 20 0 CAADHO O=C(Nc1ncnc2n[nH]nc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218515783 780167444 /nfs/dbraw/zinc/16/74/44/780167444.db2.gz MKOOAZPVCMZKBO-JMCQJSRRSA-N 1 3 288.315 -1.115 20 0 CAADHO Nc1nonc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218542198 780169317 /nfs/dbraw/zinc/16/93/17/780169317.db2.gz MOEOBRUSVSVOBZ-LHLIQPBNSA-N 1 3 252.278 -1.211 20 0 CAADHO NC(=O)c1[nH]ncc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218563526 780170214 /nfs/dbraw/zinc/17/02/14/780170214.db2.gz CFPHYWBGJSGXNN-MRVPVSSYSA-N 1 3 295.347 -1.803 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218564604 780170996 /nfs/dbraw/zinc/17/09/96/780170996.db2.gz KWYHAVOFSBDYJX-MRVPVSSYSA-N 1 3 266.305 -1.226 20 0 CAADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2cncc(N3CCOCC3)n2)C1 ZINC001218575775 780172397 /nfs/dbraw/zinc/17/23/97/780172397.db2.gz LIWPTJMXECXXKR-ZJUUUORDSA-N 1 3 292.343 -1.059 20 0 CAADHO O=C(Nc1ncnn2cccc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218565471 780172434 /nfs/dbraw/zinc/17/24/34/780172434.db2.gz UDQKZHJEOVOXII-VIFPVBQESA-N 1 3 272.312 -1.101 20 0 CAADHO Nc1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(=O)c1=O ZINC001218588185 780173269 /nfs/dbraw/zinc/17/32/69/780173269.db2.gz PIZBMRNDUOSVBJ-ZCFIWIBFSA-N 1 3 252.274 -1.870 20 0 CAADHO Nc1c(=O)c(=O)c1NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001218589266 780173298 /nfs/dbraw/zinc/17/32/98/780173298.db2.gz UXIFREBKBIXBLN-ZETCQYMHSA-N 1 3 278.312 -1.323 20 0 CAADHO Nc1c(=O)c(=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218589389 780173736 /nfs/dbraw/zinc/17/37/36/780173736.db2.gz ZNSQVOXAEGBQHK-SREIQFSDSA-N 1 3 264.285 -1.998 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218617373 780174778 /nfs/dbraw/zinc/17/47/78/780174778.db2.gz FRYMXIMAVSTDBZ-QMMMGPOBSA-N 1 3 278.316 -1.159 20 0 CAADHO COC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218610447 780175256 /nfs/dbraw/zinc/17/52/56/780175256.db2.gz OTTHJYYYFWXHTB-SNVBAGLBSA-N 1 3 293.327 -1.196 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218617989 780175369 /nfs/dbraw/zinc/17/53/69/780175369.db2.gz NBFULSRPIUNKTM-SSDOTTSWSA-N 1 3 276.300 -1.677 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218617372 780175511 /nfs/dbraw/zinc/17/55/11/780175511.db2.gz FRYMXIMAVSTDBZ-MRVPVSSYSA-N 1 3 278.316 -1.159 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218619150 780176765 /nfs/dbraw/zinc/17/67/65/780176765.db2.gz ZLXAHOBIODOZME-ZCFIWIBFSA-N 1 3 252.278 -1.420 20 0 CAADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)c1nccnc1N ZINC001218623427 780176796 /nfs/dbraw/zinc/17/67/96/780176796.db2.gz MKFOJTJAPXLSNH-MRVPVSSYSA-N 1 3 262.317 -1.169 20 0 CAADHO Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nc1N ZINC001218627691 780177052 /nfs/dbraw/zinc/17/70/52/780177052.db2.gz UYPPUKAFAOBAEX-RDDDGLTNSA-N 1 3 250.306 -1.113 20 0 CAADHO Nc1cn(C(=O)[C@H]2COC3(CNC3)CN2)ccc1=[NH2+] ZINC001218692963 780180996 /nfs/dbraw/zinc/18/09/96/780180996.db2.gz ZRILZXLSKYPAPD-SNVBAGLBSA-N 1 3 263.301 -1.480 20 0 CAADHO CS(=O)(=O)N(CCN)CC(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692969 780181207 /nfs/dbraw/zinc/18/12/07/780181207.db2.gz HQCXPCAXGKZOPA-UHFFFAOYSA-N 1 3 287.345 -1.590 20 0 CAADHO CCOc1cc(N)n(C(=O)[C@H]2C[NH2+]CC23CNC3)c(=N)n1 ZINC001218681764 780181275 /nfs/dbraw/zinc/18/12/75/780181275.db2.gz ZKGNJPCISTWRAE-MRVPVSSYSA-N 1 3 292.343 -1.207 20 0 CAADHO [NH3+]Cc1cncc(NC(=O)[C@H]2COC3(CNC3)CN2)c1 ZINC001218703956 780182876 /nfs/dbraw/zinc/18/28/76/780182876.db2.gz KCIVIKZEQAPRMB-LLVKDONJSA-N 1 3 277.328 -1.191 20 0 CAADHO CCN=c1ncc(N)cn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218739788 780183157 /nfs/dbraw/zinc/18/31/57/780183157.db2.gz IRYVZGTXKGNVFH-SNVBAGLBSA-N 1 3 276.344 -1.165 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751495 780183909 /nfs/dbraw/zinc/18/39/09/780183909.db2.gz ZPKPCNPKTKCFBV-SECBINFHSA-N 1 3 287.345 -1.266 20 0 CAADHO Cc1cnn(CCO)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218754371 780183951 /nfs/dbraw/zinc/18/39/51/780183951.db2.gz OJAMLNFHGXGKKD-SNVBAGLBSA-N 1 3 279.344 -1.069 20 0 CAADHO Cc1cnn(CCO)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218754365 780184211 /nfs/dbraw/zinc/18/42/11/780184211.db2.gz OJAMLNFHGXGKKD-JTQLQIEISA-N 1 3 279.344 -1.069 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219557960 780230384 /nfs/dbraw/zinc/23/03/84/780230384.db2.gz HGFHEFQTYRQGCD-OUAUKWLOSA-N 1 3 261.366 -1.097 20 0 CAADHO O=C(NCCn1ccnn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219566087 780232172 /nfs/dbraw/zinc/23/21/72/780232172.db2.gz SHDQKMFAROAGIO-ZYHUDNBSSA-N 1 3 264.333 -1.407 20 0 CAADHO O=C(NCCn1ccnn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219565384 780232542 /nfs/dbraw/zinc/23/25/42/780232542.db2.gz FGEJMOINUWZBEO-VIFPVBQESA-N 1 3 250.306 -1.797 20 0 CAADHO N[C@H](C(=O)NCCn1ccnn1)C1CC[NH2+]CC1 ZINC001219566326 780232561 /nfs/dbraw/zinc/23/25/61/780232561.db2.gz ZSUWCJAPAONCLC-JTQLQIEISA-N 1 3 252.322 -1.279 20 0 CAADHO O=C(CCNC(=O)[C@@H]1C[NH2+]CC12CNC2)N1CCOCC1 ZINC001219573199 780233359 /nfs/dbraw/zinc/23/33/59/780233359.db2.gz HPOZUHUNOWUTKH-NSHDSACASA-N 1 3 296.371 -1.840 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219588573 780235313 /nfs/dbraw/zinc/23/53/13/780235313.db2.gz DMGMOKOWQIIXIV-XKNYDFJKSA-N 1 3 299.375 -2.050 20 0 CAADHO CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1COC2(CNC2)CN1 ZINC001219593802 780235579 /nfs/dbraw/zinc/23/55/79/780235579.db2.gz KHJXLBCBFWOSES-MRVPVSSYSA-N 1 3 292.361 -2.936 20 0 CAADHO CS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219608501 780238067 /nfs/dbraw/zinc/23/80/67/780238067.db2.gz XVTXYKBAUOLZAP-MWLCHTKSSA-N 1 3 275.374 -1.654 20 0 CAADHO CS(=O)(=O)CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001219608402 780238151 /nfs/dbraw/zinc/23/81/51/780238151.db2.gz WQCHWXDNWGWXCR-QMMMGPOBSA-N 1 3 251.352 -1.397 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]CCN1 ZINC001219622324 780241904 /nfs/dbraw/zinc/24/19/04/780241904.db2.gz RJJMCWMHWGJYQU-ATZCPNFKSA-N 1 3 260.313 -2.274 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1C[NH2+]CCN1 ZINC001219619921 780242294 /nfs/dbraw/zinc/24/22/94/780242294.db2.gz RJJMCWMHWGJYQU-WCABBAIRSA-N 1 3 260.313 -2.274 20 0 CAADHO O=C(NCCN1CCCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001219632290 780243326 /nfs/dbraw/zinc/24/33/26/780243326.db2.gz JZDVMLMTITZCLU-LLVKDONJSA-N 1 3 268.361 -1.061 20 0 CAADHO Cn1cnc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219632475 780243703 /nfs/dbraw/zinc/24/37/03/780243703.db2.gz NNUPVGMGZDOLLZ-LLVKDONJSA-N 1 3 263.345 -1.112 20 0 CAADHO N[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671664 780245182 /nfs/dbraw/zinc/24/51/82/780245182.db2.gz NLQOPAWYEIAXSM-VHSXEESVSA-N 1 3 275.374 -1.383 20 0 CAADHO N[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671665 780245207 /nfs/dbraw/zinc/24/52/07/780245207.db2.gz NLQOPAWYEIAXSM-ZJUUUORDSA-N 1 3 275.374 -1.383 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219641910 780245353 /nfs/dbraw/zinc/24/53/53/780245353.db2.gz MPWRZSGMDFWYQS-QJPTWQEYSA-N 1 3 282.388 -1.321 20 0 CAADHO N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671662 780246045 /nfs/dbraw/zinc/24/60/45/780246045.db2.gz NLQOPAWYEIAXSM-NXEZZACHSA-N 1 3 275.374 -1.383 20 0 CAADHO C[C@@H]1C[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)C[NH2+]1 ZINC001219684532 780248637 /nfs/dbraw/zinc/24/86/37/780248637.db2.gz PEHVNFRLLQWSSS-OPRDCNLKSA-N 1 3 271.365 -1.124 20 0 CAADHO CN(C(=O)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001219692703 780249296 /nfs/dbraw/zinc/24/92/96/780249296.db2.gz FMVMQEGFCIQSHU-NSHDSACASA-N 1 3 280.372 -1.078 20 0 CAADHO O=C(NCCC1(O)C[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001219697894 780250057 /nfs/dbraw/zinc/25/00/57/780250057.db2.gz ZTSBDORCFSYUBE-SECBINFHSA-N 1 3 270.333 -2.843 20 0 CAADHO CN1CCO[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219695819 780250250 /nfs/dbraw/zinc/25/02/50/780250250.db2.gz ZDYDICQJRLGMIK-WGBDABJCSA-N 1 3 268.361 -1.345 20 0 CAADHO CN1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219695471 780250377 /nfs/dbraw/zinc/25/03/77/780250377.db2.gz USTZOBWWOZKJSR-MNOVXSKESA-N 1 3 268.361 -1.758 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028506 780294736 /nfs/dbraw/zinc/29/47/36/780294736.db2.gz VJSKTDZZOSSNEM-JGVFFNPUSA-N 1 3 256.306 -1.636 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714480 780251838 /nfs/dbraw/zinc/25/18/38/780251838.db2.gz MENHADKEHGHZOJ-SJQPAMGKSA-N 1 3 272.349 -2.075 20 0 CAADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714157 780252057 /nfs/dbraw/zinc/25/20/57/780252057.db2.gz FXYFOZPULHMNQW-OPRDCNLKSA-N 1 3 287.360 -1.116 20 0 CAADHO O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COC2(CNC2)CN1 ZINC001219712378 780252624 /nfs/dbraw/zinc/25/26/24/780252624.db2.gz OFGAOEDVCMLAQS-IWSPIJDZSA-N 1 3 256.306 -3.234 20 0 CAADHO CC(C)(CNC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220034156 780295649 /nfs/dbraw/zinc/29/56/49/780295649.db2.gz VQEQCBXACSKAEF-VIFPVBQESA-N 1 3 256.350 -1.059 20 0 CAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720074 780253654 /nfs/dbraw/zinc/25/36/54/780253654.db2.gz FZQIMGQUSSWBQZ-XWLWVQCSSA-N 1 3 286.376 -1.293 20 0 CAADHO [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219720852 780254068 /nfs/dbraw/zinc/25/40/68/780254068.db2.gz SUKFDAUBHKLBQL-DJLDLDEBSA-N 1 3 256.306 -2.841 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720913 780254279 /nfs/dbraw/zinc/25/42/79/780254279.db2.gz VJMXNDDGOSUIQY-LPEHRKFASA-N 1 3 253.306 -1.868 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737534 780255086 /nfs/dbraw/zinc/25/50/86/780255086.db2.gz YNALUCZRZQKDTE-VHSXEESVSA-N 1 3 299.375 -1.743 20 0 CAADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COC2(CNC2)CN1 ZINC001219736747 780255464 /nfs/dbraw/zinc/25/54/64/780255464.db2.gz GMNAQMWPRYDPHE-QWRGUYRKSA-N 1 3 296.371 -2.189 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737509 780255563 /nfs/dbraw/zinc/25/55/63/780255563.db2.gz XWGVRGYNSXTCFA-GHMZBOCLSA-N 1 3 279.344 -1.226 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737509 780255567 /nfs/dbraw/zinc/25/55/67/780255567.db2.gz XWGVRGYNSXTCFA-GHMZBOCLSA-N 1 3 279.344 -1.226 20 0 CAADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COC2(CNC2)CN1 ZINC001219736746 780255690 /nfs/dbraw/zinc/25/56/90/780255690.db2.gz GMNAQMWPRYDPHE-MNOVXSKESA-N 1 3 296.371 -2.189 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737085 780255971 /nfs/dbraw/zinc/25/59/71/780255971.db2.gz OLBQACUGMCDGQH-NEPJUHHUSA-N 1 3 293.371 -1.215 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768892 780261769 /nfs/dbraw/zinc/26/17/69/780261769.db2.gz QIJFANPRLDXWKS-SKDRFNHKSA-N 1 3 289.355 -1.030 20 0 CAADHO [NH3+][C@@H]1CN[C@H](C(=O)NCc2noc3c2CNCC3)C1 ZINC001219810919 780262291 /nfs/dbraw/zinc/26/22/91/780262291.db2.gz HCGPJRIGGHRPJO-CBAPKCEASA-N 1 3 265.317 -1.374 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831681 780264542 /nfs/dbraw/zinc/26/45/42/780264542.db2.gz UIPMCLRCQCNBAV-HKWIRBFKSA-N 1 3 279.344 -1.227 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831681 780264546 /nfs/dbraw/zinc/26/45/46/780264546.db2.gz UIPMCLRCQCNBAV-HKWIRBFKSA-N 1 3 279.344 -1.227 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813689 780264929 /nfs/dbraw/zinc/26/49/29/780264929.db2.gz ZMAAQRKGQALCOS-CWSCBRNRSA-N 1 3 299.375 -1.886 20 0 CAADHO NC1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835112 780265644 /nfs/dbraw/zinc/26/56/44/780265644.db2.gz WTGOQJQQKPOCDG-PWSUYJOCSA-N 1 3 269.345 -1.011 20 0 CAADHO C[C@@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834343 780266238 /nfs/dbraw/zinc/26/62/38/780266238.db2.gz PYTXZJISYZHGMI-SCVCMEIPSA-N 1 3 257.334 -1.155 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848035 780267623 /nfs/dbraw/zinc/26/76/23/780267623.db2.gz VOFOAEHBMULGAX-CPXBJQAPSA-N 1 3 289.401 -1.282 20 0 CAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1C[NH2+]C[C@H]1O ZINC001219847805 780267768 /nfs/dbraw/zinc/26/77/68/780267768.db2.gz SPSFBYOFGFIFLW-LADJIXMOSA-N 1 3 255.318 -1.798 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847551 780268693 /nfs/dbraw/zinc/26/86/93/780268693.db2.gz KJOZDZRKPGWKMT-ZDEQEGDKSA-N 1 3 293.371 -1.075 20 0 CAADHO NC(C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(F)(F)F ZINC001219856517 780269151 /nfs/dbraw/zinc/26/91/51/780269151.db2.gz PSTZXJDSSZECJA-UCROKIRRSA-N 1 3 253.224 -1.021 20 0 CAADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1COC2(CNC2)CN1 ZINC001219854601 780270000 /nfs/dbraw/zinc/27/00/00/780270000.db2.gz MREVUUUPTVPXKR-LMLFDSFASA-N 1 3 282.344 -2.580 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H](C)O ZINC001219880097 780273167 /nfs/dbraw/zinc/27/31/67/780273167.db2.gz UCSHUKPSKDEYIW-VWYCJHECSA-N 1 3 299.371 -1.101 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H](C)O ZINC001219880097 780273178 /nfs/dbraw/zinc/27/31/78/780273178.db2.gz UCSHUKPSKDEYIW-VWYCJHECSA-N 1 3 299.371 -1.101 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219915788 780273394 /nfs/dbraw/zinc/27/33/94/780273394.db2.gz AZBMDROTPZRSPG-VHSXEESVSA-N 1 3 256.350 -1.617 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)O ZINC001219880670 780273408 /nfs/dbraw/zinc/27/34/08/780273408.db2.gz GPKWYYZGKQADOV-CSMHCCOUSA-N 1 3 279.362 -1.956 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001219889981 780274517 /nfs/dbraw/zinc/27/45/17/780274517.db2.gz DBRGRMDEUSOXIP-NHCYSSNCSA-N 1 3 254.334 -1.210 20 0 CAADHO N[C@H](Cc1cccc(O)c1)C(=O)NCC[NH2+]CCO ZINC001219918370 780276961 /nfs/dbraw/zinc/27/69/61/780276961.db2.gz JUDHEOSKPJHHQE-GFCCVEGCSA-N 1 3 267.329 -1.040 20 0 CAADHO C[C@H](C[NH+](C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219915827 780277111 /nfs/dbraw/zinc/27/71/11/780277111.db2.gz BVVCVCGYSQXMEU-VGMNWLOBSA-N 1 3 287.364 -2.240 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NCC[NH2+]CCO ZINC001219918112 780277142 /nfs/dbraw/zinc/27/71/42/780277142.db2.gz FDCCPUNQDYYFBQ-JTQLQIEISA-N 1 3 255.322 -2.012 20 0 CAADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCC[NH2+]CCO ZINC001219918371 780277465 /nfs/dbraw/zinc/27/74/65/780277465.db2.gz JUDHEOSKPJHHQE-LBPRGKRZSA-N 1 3 267.329 -1.040 20 0 CAADHO N[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945614 780278096 /nfs/dbraw/zinc/27/80/96/780278096.db2.gz NZVISXSUHDPWFE-UWVGGRQHSA-N 1 3 273.358 -1.260 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219936782 780278276 /nfs/dbraw/zinc/27/82/76/780278276.db2.gz UBVHQAVUHKKDIW-LLVKDONJSA-N 1 3 279.344 -1.006 20 0 CAADHO N[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945613 780278622 /nfs/dbraw/zinc/27/86/22/780278622.db2.gz NZVISXSUHDPWFE-NXEZZACHSA-N 1 3 273.358 -1.260 20 0 CAADHO O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219945666 780279225 /nfs/dbraw/zinc/27/92/25/780279225.db2.gz PNDSJKSPFXPSEM-CKYFFXLPSA-N 1 3 285.369 -1.388 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219936783 780279593 /nfs/dbraw/zinc/27/95/93/780279593.db2.gz UBVHQAVUHKKDIW-NSHDSACASA-N 1 3 279.344 -1.006 20 0 CAADHO O=C(NC[C@@H]1CCC(=O)N1)[C@H]1C[NH2+]CC12CNC2 ZINC001219959494 780280464 /nfs/dbraw/zinc/28/04/64/780280464.db2.gz XCRATLWPPQTRAC-DTWKUNHWSA-N 1 3 252.318 -1.810 20 0 CAADHO O=C(NC[C@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219959577 780281335 /nfs/dbraw/zinc/28/13/35/780281335.db2.gz ZEGSIZDEZCCEQC-GIPNMCIBSA-N 1 3 266.345 -1.420 20 0 CAADHO [NH3+]CCC[C@@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219967994 780282923 /nfs/dbraw/zinc/28/29/23/780282923.db2.gz ROZMQNRZGVOPDD-DTWKUNHWSA-N 1 3 255.322 -1.319 20 0 CAADHO [NH3+]CCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219967995 780283314 /nfs/dbraw/zinc/28/33/14/780283314.db2.gz ROZMQNRZGVOPDD-IUCAKERBSA-N 1 3 255.322 -1.319 20 0 CAADHO [NH3+][C@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969492 780284187 /nfs/dbraw/zinc/28/41/87/780284187.db2.gz BTFNGQIENUOPDC-QWRGUYRKSA-N 1 3 281.360 -1.059 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])CN1 ZINC001219965711 780284510 /nfs/dbraw/zinc/28/45/10/780284510.db2.gz XZBBDUZLKRJBNB-VGMNWLOBSA-N 1 3 258.322 -1.928 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)CCC[NH3+])CN1 ZINC001219965710 780284731 /nfs/dbraw/zinc/28/47/31/780284731.db2.gz XZBBDUZLKRJBNB-HLTSFMKQSA-N 1 3 258.322 -1.928 20 0 CAADHO O=C(CNC(=O)[C@H]1C[NH2+]CC12CNC2)NC1CCCC1 ZINC001219975136 780286394 /nfs/dbraw/zinc/28/63/94/780286394.db2.gz OSOXXBVKLIYTAY-LLVKDONJSA-N 1 3 280.372 -1.030 20 0 CAADHO O=C(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)NC1CCCC1 ZINC001219975137 780286728 /nfs/dbraw/zinc/28/67/28/780286728.db2.gz OSOXXBVKLIYTAY-NSHDSACASA-N 1 3 280.372 -1.030 20 0 CAADHO COC(=O)C1(NC(=O)[C@@H](N)Cc2c[nH]cn2)CC[NH2+]CC1 ZINC001219998837 780287152 /nfs/dbraw/zinc/28/71/52/780287152.db2.gz CRULLMDIGZXNKA-JTQLQIEISA-N 1 3 295.343 -1.309 20 0 CAADHO Cn1c(NC(=O)[C@H](N)CCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984409 780288335 /nfs/dbraw/zinc/28/83/35/780288335.db2.gz INGGRCPHSCQBNU-RXMQYKEDSA-N 1 3 284.276 -1.112 20 0 CAADHO CN1C[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCC1=O ZINC001220006805 780288940 /nfs/dbraw/zinc/28/89/40/780288940.db2.gz CVQAUZHUZXDOHC-NXEZZACHSA-N 1 3 266.345 -1.468 20 0 CAADHO CN1C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CCC1=O ZINC001220006708 780289091 /nfs/dbraw/zinc/28/90/91/780289091.db2.gz AEOICXWQMUXDLC-IUCAKERBSA-N 1 3 274.390 -1.257 20 0 CAADHO CN1C[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCC1=O ZINC001220006811 780289767 /nfs/dbraw/zinc/28/97/67/780289767.db2.gz CVQAUZHUZXDOHC-ZJUUUORDSA-N 1 3 266.345 -1.468 20 0 CAADHO CN1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCC1=O ZINC001220007595 780289955 /nfs/dbraw/zinc/28/99/55/780289955.db2.gz QGZUFQZCQXXJQU-JTNHKYCSSA-N 1 3 280.372 -1.078 20 0 CAADHO O=C(NC1(CO)CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220018624 780290618 /nfs/dbraw/zinc/29/06/18/780290618.db2.gz LEQSSERUGNADSZ-BXUZGUMPSA-N 1 3 283.372 -1.157 20 0 CAADHO N=c1cc(C[NH3+])ncn1C(=O)CN1CCCC[C@H](N)C1=O ZINC001220020427 780290918 /nfs/dbraw/zinc/29/09/18/780290918.db2.gz HZVRTUIRTYAYPX-JTQLQIEISA-N 1 3 292.343 -1.199 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018591 780290935 /nfs/dbraw/zinc/29/09/35/780290935.db2.gz JVEJZVSDZIVBFB-VIFPVBQESA-N 1 3 277.390 -1.337 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020306 780291009 /nfs/dbraw/zinc/29/10/09/780291009.db2.gz DLZRSBDCDUYOHO-UFBFGSQYSA-N 1 3 294.359 -1.049 20 0 CAADHO N[C@H](C(=O)NC1(CO)CCOCC1)C1CC[NH2+]CC1 ZINC001220018690 780292106 /nfs/dbraw/zinc/29/21/06/780292106.db2.gz OENYBQQGXSKTCH-NSHDSACASA-N 1 3 271.361 -1.029 20 0 CAADHO CCOC(=O)c1nnc(CNC(=O)[C@H](N)CCC[NH3+])o1 ZINC001220011393 780292000 /nfs/dbraw/zinc/29/20/00/780292000.db2.gz WEPILDHQRNSXRS-SSDOTTSWSA-N 1 3 285.304 -1.071 20 0 CAADHO N=c1sc2c(n1C(=O)[C@@H](N)CN)CC[C@H]([NH3+])C2 ZINC001220023140 780293482 /nfs/dbraw/zinc/29/34/82/780293482.db2.gz ROQBQVKJMFKNSC-WDSKDSINSA-N 1 3 255.347 -1.229 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028631 780293949 /nfs/dbraw/zinc/29/39/49/780293949.db2.gz ZSMZCHFTUFLHPC-VHSXEESVSA-N 1 3 284.360 -1.033 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028507 780293981 /nfs/dbraw/zinc/29/39/81/780293981.db2.gz VJSKTDZZOSSNEM-YUMQZZPRSA-N 1 3 256.306 -1.636 20 0 CAADHO N[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030316 780294231 /nfs/dbraw/zinc/29/42/31/780294231.db2.gz BUDOPLGVLSTHBT-SCZZXKLOSA-N 1 3 268.317 -1.765 20 0 CAADHO CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O ZINC001220032960 780295923 /nfs/dbraw/zinc/29/59/23/780295923.db2.gz FPHBCPMQDGRHAG-NOZJJQNGSA-N 1 3 268.361 -1.187 20 0 CAADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001220043205 780297738 /nfs/dbraw/zinc/29/77/38/780297738.db2.gz JFFMGRHKOPLZMU-SNVBAGLBSA-N 1 3 292.343 -1.900 20 0 CAADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220043204 780297879 /nfs/dbraw/zinc/29/78/79/780297879.db2.gz JFFMGRHKOPLZMU-JTQLQIEISA-N 1 3 292.343 -1.900 20 0 CAADHO C[NH2+]CCNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220056089 780298474 /nfs/dbraw/zinc/29/84/74/780298474.db2.gz LGMLBGSGKYZKHB-IUCAKERBSA-N 1 3 272.349 -1.367 20 0 CAADHO C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220052907 780298784 /nfs/dbraw/zinc/29/87/84/780298784.db2.gz IWMFWGJSKRUHIN-MRVPVSSYSA-N 1 3 261.347 -1.901 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202542 780320520 /nfs/dbraw/zinc/32/05/20/780320520.db2.gz FPINGMXIICNAQD-YUMQZZPRSA-N 1 3 260.363 -1.742 20 0 CAADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001220138639 780309330 /nfs/dbraw/zinc/30/93/30/780309330.db2.gz BIFSRIOQQXRIHW-IWSPIJDZSA-N 1 3 263.363 -1.256 20 0 CAADHO O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@H]1C[NH2+]CC12CNC2 ZINC001220143508 780310669 /nfs/dbraw/zinc/31/06/69/780310669.db2.gz KXDVQBDNWXRWHY-SNVBAGLBSA-N 1 3 299.396 -1.511 20 0 CAADHO O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@H]1CNCC12C[NH2+]C2 ZINC001220143508 780310675 /nfs/dbraw/zinc/31/06/75/780310675.db2.gz KXDVQBDNWXRWHY-SNVBAGLBSA-N 1 3 299.396 -1.511 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001220145454 780311132 /nfs/dbraw/zinc/31/11/32/780311132.db2.gz CPANYIXMBIQQGW-QMMMGPOBSA-N 1 3 264.351 -2.187 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220145911 780311998 /nfs/dbraw/zinc/31/19/98/780311998.db2.gz VZEAIRVYXSUESZ-JTQLQIEISA-N 1 3 290.389 -1.927 20 0 CAADHO O=C(NC1CC(CO)(CO)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220151882 780312021 /nfs/dbraw/zinc/31/20/21/780312021.db2.gz LAIWMSAAIGDXKG-SNVBAGLBSA-N 1 3 269.345 -1.955 20 0 CAADHO O=C(NC1CC(CO)(CO)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220151881 780312029 /nfs/dbraw/zinc/31/20/29/780312029.db2.gz LAIWMSAAIGDXKG-JTQLQIEISA-N 1 3 269.345 -1.955 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149895 780312038 /nfs/dbraw/zinc/31/20/38/780312038.db2.gz HGJAIWIGGGHIMN-HRDYMLBCSA-N 1 3 257.338 -1.384 20 0 CAADHO O=C(NC1CC(CO)(CO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220152105 780312481 /nfs/dbraw/zinc/31/24/81/780312481.db2.gz UQMLOXHKOLANSF-QMTHXVAHSA-N 1 3 283.372 -1.565 20 0 CAADHO N[C@H]1CCCCN(CC(=O)NC2(C[NH3+])COC2)C1=O ZINC001220154644 780313692 /nfs/dbraw/zinc/31/36/92/780313692.db2.gz VYLFUIKCUMRNCW-VIFPVBQESA-N 1 3 270.333 -1.830 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC1(CCO)COC1 ZINC001220172850 780314470 /nfs/dbraw/zinc/31/44/70/780314470.db2.gz CNQGKVFQKZCJPF-QMMMGPOBSA-N 1 3 263.363 -1.727 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C[NH3+])COC1 ZINC001220156895 780314764 /nfs/dbraw/zinc/31/47/64/780314764.db2.gz PGHHQJAPYUUYAM-BQBZGAKWSA-N 1 3 287.320 -3.462 20 0 CAADHO N[C@H](C(=O)NC1(CCO)COC1)C1CC[NH2+]CC1 ZINC001220172956 780315578 /nfs/dbraw/zinc/31/55/78/780315578.db2.gz FUDLZXFEQWOJQD-JTQLQIEISA-N 1 3 257.334 -1.419 20 0 CAADHO N[C@@H](C(=O)NC1(CCO)COC1)C1CC[NH2+]CC1 ZINC001220172957 780316008 /nfs/dbraw/zinc/31/60/08/780316008.db2.gz FUDLZXFEQWOJQD-SNVBAGLBSA-N 1 3 257.334 -1.419 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170797 780316295 /nfs/dbraw/zinc/31/62/95/780316295.db2.gz VAWAHZIUIJSNLU-VHSXEESVSA-N 1 3 273.333 -1.299 20 0 CAADHO N[C@H](C(=O)N[C@H]1COCC[C@@H]1O)C1CC[NH2+]CC1 ZINC001220181483 780316975 /nfs/dbraw/zinc/31/69/75/780316975.db2.gz QGXCNMWSYZEWJP-DCAQKATOSA-N 1 3 257.334 -1.421 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181598 780317111 /nfs/dbraw/zinc/31/71/11/780317111.db2.gz WCAOOJTWWJSBCB-CIUDSAMLSA-N 1 3 263.363 -1.728 20 0 CAADHO O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220181658 780317065 /nfs/dbraw/zinc/31/70/65/780317065.db2.gz XQVIPYGGFGZPMN-GUBZILKMSA-N 1 3 255.318 -1.939 20 0 CAADHO O=C(NC[C@H]1CNC(=O)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220203063 780319882 /nfs/dbraw/zinc/31/98/82/780319882.db2.gz UUCRYDLVGAKTCL-RKDXNWHRSA-N 1 3 252.318 -1.952 20 0 CAADHO CCOC(=O)CC1(NC(=O)[C@H]2C[NH2+]CC23CNC3)COC1 ZINC001220215278 780319938 /nfs/dbraw/zinc/31/99/38/780319938.db2.gz PSAUBDSAEUNGFF-SNVBAGLBSA-N 1 3 297.355 -1.366 20 0 CAADHO CCOC(=O)CC1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)COC1 ZINC001220215277 780319969 /nfs/dbraw/zinc/31/99/69/780319969.db2.gz PSAUBDSAEUNGFF-JTQLQIEISA-N 1 3 297.355 -1.366 20 0 CAADHO N[C@@H](C(=O)NC[C@@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202838 780320184 /nfs/dbraw/zinc/32/01/84/780320184.db2.gz LSZVAQJTZHHLPQ-GZMMTYOYSA-N 1 3 254.334 -1.434 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220203061 780320450 /nfs/dbraw/zinc/32/04/50/780320450.db2.gz UUCRYDLVGAKTCL-DTWKUNHWSA-N 1 3 252.318 -1.952 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202541 780320650 /nfs/dbraw/zinc/32/06/50/780320650.db2.gz FPINGMXIICNAQD-SFYZADRCSA-N 1 3 260.363 -1.742 20 0 CAADHO N[C@H](C(=O)NC[C@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202839 780320676 /nfs/dbraw/zinc/32/06/76/780320676.db2.gz LSZVAQJTZHHLPQ-KCJUWKMLSA-N 1 3 254.334 -1.434 20 0 CAADHO N[C@H](C(=O)NC[C@@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202840 780320723 /nfs/dbraw/zinc/32/07/23/780320723.db2.gz LSZVAQJTZHHLPQ-KWQFWETISA-N 1 3 254.334 -1.434 20 0 CAADHO CN1C[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])CC1=O ZINC001220245318 780325442 /nfs/dbraw/zinc/32/54/42/780325442.db2.gz NJONLZQSIJCJGK-IUCAKERBSA-N 1 3 274.390 -1.400 20 0 CAADHO CN1C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1=O ZINC001220245156 780325565 /nfs/dbraw/zinc/32/55/65/780325565.db2.gz ICZYXONICZHBIF-MISXGVKJSA-N 1 3 280.372 -1.220 20 0 CAADHO CN1C[C@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)CC1=O ZINC001220245408 780325648 /nfs/dbraw/zinc/32/56/48/780325648.db2.gz QOBHJGMZTRDZJH-JOYOIKCWSA-N 1 3 268.361 -1.092 20 0 CAADHO CN1C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1=O ZINC001220245248 780325702 /nfs/dbraw/zinc/32/57/02/780325702.db2.gz LRQQUUITIYSEDN-UWVGGRQHSA-N 1 3 266.345 -1.610 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nc[nH]n1 ZINC001220249823 780327130 /nfs/dbraw/zinc/32/71/30/780327130.db2.gz CQKVHKKWGDHVST-VIFPVBQESA-N 1 3 267.337 -1.829 20 0 CAADHO [NH3+]CCN(C(=O)[C@H]1COC2(CNC2)CN1)c1cccnc1 ZINC001220261030 780328184 /nfs/dbraw/zinc/32/81/84/780328184.db2.gz OTDSTSYYYLIMPS-GFCCVEGCSA-N 1 3 291.355 -1.296 20 0 CAADHO [NH3+]CCN(C(=O)[C@@H]1COC2(CNC2)CN1)c1cccnc1 ZINC001220261031 780328277 /nfs/dbraw/zinc/32/82/77/780328277.db2.gz OTDSTSYYYLIMPS-LBPRGKRZSA-N 1 3 291.355 -1.296 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220268375 780328409 /nfs/dbraw/zinc/32/84/09/780328409.db2.gz GADTVLBDOGPATL-SNVBAGLBSA-N 1 3 292.405 -1.679 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220268232 780328502 /nfs/dbraw/zinc/32/85/02/780328502.db2.gz ABVACZNOMOLCJN-QMMMGPOBSA-N 1 3 298.434 -1.987 20 0 CAADHO Cn1cc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001220276396 780329807 /nfs/dbraw/zinc/32/98/07/780329807.db2.gz JCMWVQJEGYEYIB-LLVKDONJSA-N 1 3 263.345 -1.112 20 0 CAADHO NC(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220274618 780330238 /nfs/dbraw/zinc/33/02/38/780330238.db2.gz KWKJNVGXIWQOBO-VIFPVBQESA-N 1 3 254.334 -1.148 20 0 CAADHO NC(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220274618 780330243 /nfs/dbraw/zinc/33/02/43/780330243.db2.gz KWKJNVGXIWQOBO-VIFPVBQESA-N 1 3 254.334 -1.148 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC001220282486 780330421 /nfs/dbraw/zinc/33/04/21/780330421.db2.gz KMRXEDAEGRRFHK-QXEWZRGKSA-N 1 3 256.350 -1.046 20 0 CAADHO [NH3+][C@H]1CN[C@H](C(=O)N[C@@H](CO)Cc2c[nH]cn2)C1 ZINC001220291696 780331731 /nfs/dbraw/zinc/33/17/31/780331731.db2.gz WSNFYIHCVMDKNS-QNSHHTMESA-N 1 3 253.306 -1.882 20 0 CAADHO N[C@H]1C[NH2+][C@H](C(=O)N[C@@H](CO)Cc2c[nH]cn2)C1 ZINC001220291696 780331736 /nfs/dbraw/zinc/33/17/36/780331736.db2.gz WSNFYIHCVMDKNS-QNSHHTMESA-N 1 3 253.306 -1.882 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291774 780331827 /nfs/dbraw/zinc/33/18/27/780331827.db2.gz XIEKZPSEAREVCP-ZJUUUORDSA-N 1 3 287.389 -1.552 20 0 CAADHO O=C(NCC1OCCO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220289194 780331843 /nfs/dbraw/zinc/33/18/43/780331843.db2.gz VLAYCZSECIEVBD-BXKDBHETSA-N 1 3 255.318 -1.325 20 0 CAADHO N[C@@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C1 ZINC001220312740 780333744 /nfs/dbraw/zinc/33/37/44/780333744.db2.gz DRWHITUQJBOHKT-ZDUSSCGKSA-N 1 3 278.360 -1.317 20 0 CAADHO N[C@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C1 ZINC001220312739 780334078 /nfs/dbraw/zinc/33/40/78/780334078.db2.gz DRWHITUQJBOHKT-CYBMUJFWSA-N 1 3 278.360 -1.317 20 0 CAADHO N[C@@H](C(=O)NC[C@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316409 780334525 /nfs/dbraw/zinc/33/45/25/780334525.db2.gz PAJRFNNDSCBGBJ-MWLCHTKSSA-N 1 3 270.333 -2.056 20 0 CAADHO O=C(NC[C@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220317208 780334579 /nfs/dbraw/zinc/33/45/79/780334579.db2.gz WVBXOGSQYDHGMW-RKDXNWHRSA-N 1 3 268.317 -2.573 20 0 CAADHO N[C@@H](C(=O)NC[C@@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316407 780335168 /nfs/dbraw/zinc/33/51/68/780335168.db2.gz PAJRFNNDSCBGBJ-GXSJLCMTSA-N 1 3 270.333 -2.056 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220317207 780336314 /nfs/dbraw/zinc/33/63/14/780336314.db2.gz WVBXOGSQYDHGMW-IUCAKERBSA-N 1 3 268.317 -2.573 20 0 CAADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n(N)c(=O)c1 ZINC001220324126 780338248 /nfs/dbraw/zinc/33/82/48/780338248.db2.gz YIULFIPCXAQZGS-SECBINFHSA-N 1 3 277.328 -1.382 20 0 CAADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](CO)C(N)=O ZINC001220329638 780339465 /nfs/dbraw/zinc/33/94/65/780339465.db2.gz VVFINPHIGUAFBN-VHSXEESVSA-N 1 3 274.365 -1.556 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220381027 780342544 /nfs/dbraw/zinc/34/25/44/780342544.db2.gz FYWYDHZDHQPUSX-QWRGUYRKSA-N 1 3 268.361 -1.758 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220380598 780342649 /nfs/dbraw/zinc/34/26/49/780342649.db2.gz AJISEKFRVOXOFS-UWVGGRQHSA-N 1 3 276.406 -1.548 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220381563 780342742 /nfs/dbraw/zinc/34/27/42/780342742.db2.gz LETUFBBSNGXQKL-MNOVXSKESA-N 1 3 258.366 -1.111 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220381025 780342747 /nfs/dbraw/zinc/34/27/47/780342747.db2.gz FYWYDHZDHQPUSX-GHMZBOCLSA-N 1 3 268.361 -1.758 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220381026 780343136 /nfs/dbraw/zinc/34/31/36/780343136.db2.gz FYWYDHZDHQPUSX-MNOVXSKESA-N 1 3 268.361 -1.758 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)[nH]c1=O ZINC001220424867 780348705 /nfs/dbraw/zinc/34/87/05/780348705.db2.gz WZZXPWFNTBPGGP-ZETCQYMHSA-N 1 3 279.300 -1.767 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1COCCN1 ZINC001220431787 780348773 /nfs/dbraw/zinc/34/87/73/780348773.db2.gz PNXBYFARVNXFOA-RYUDHWBXSA-N 1 3 285.392 -2.159 20 0 CAADHO O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220447525 780349748 /nfs/dbraw/zinc/34/97/48/780349748.db2.gz LKGDYZUGXDJSIX-BQBZGAKWSA-N 1 3 267.251 -1.165 20 0 CAADHO O=C(N[C@H](CO)C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220447526 780349542 /nfs/dbraw/zinc/34/95/42/780349542.db2.gz LKGDYZUGXDJSIX-NKWVEPMBSA-N 1 3 267.251 -1.165 20 0 CAADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CN)O1 ZINC001220481902 780352917 /nfs/dbraw/zinc/35/29/17/780352917.db2.gz VNQFEIWNOUXQGJ-SJQPAMGKSA-N 1 3 260.338 -1.887 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481549 780353096 /nfs/dbraw/zinc/35/30/96/780353096.db2.gz KBTQOFJGOJYHLF-HLTSFMKQSA-N 1 3 263.363 -2.040 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H](O)C[C@@H]1CO ZINC001220481407 780353187 /nfs/dbraw/zinc/35/31/87/780353187.db2.gz GNESULWBYRBPJY-OPRDCNLKSA-N 1 3 255.318 -2.251 20 0 CAADHO N[C@@H](C(=O)N1C[C@H](O)C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001220481339 780353236 /nfs/dbraw/zinc/35/32/36/780353236.db2.gz DMIRMARDKNSQAA-GMTAPVOTSA-N 1 3 257.334 -1.733 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481739 780353402 /nfs/dbraw/zinc/35/34/02/780353402.db2.gz PQUFINBAQJEHLH-UTUOFQBUSA-N 1 3 273.377 -1.000 20 0 CAADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H](O)C[C@@H]1CO ZINC001220481810 780353644 /nfs/dbraw/zinc/35/36/44/780353644.db2.gz RWOPXKAKMTUJGY-UTUOFQBUSA-N 1 3 283.372 -1.185 20 0 CAADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H](O)C[C@@H]1CO ZINC001220481810 780353649 /nfs/dbraw/zinc/35/36/49/780353649.db2.gz RWOPXKAKMTUJGY-UTUOFQBUSA-N 1 3 283.372 -1.185 20 0 CAADHO COC(C)(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)OC ZINC001220509096 780356621 /nfs/dbraw/zinc/35/66/21/780356621.db2.gz KNQCOHYDTRMWKE-VIFPVBQESA-N 1 3 257.334 -1.079 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220516190 780357285 /nfs/dbraw/zinc/35/72/85/780357285.db2.gz RMKJKEDCKFSPKX-SNVBAGLBSA-N 1 3 271.365 -2.677 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220515813 780357423 /nfs/dbraw/zinc/35/74/23/780357423.db2.gz LNBFGXROMKOGBC-SNVBAGLBSA-N 1 3 254.338 -1.714 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@]2(N)CC[NH2+]C2)CCNC1 ZINC001220523597 780358589 /nfs/dbraw/zinc/35/85/89/780358589.db2.gz RXVCHKRRLZRADG-CYBMUJFWSA-N 1 3 282.344 -1.396 20 0 CAADHO NC(C(=O)NCCOCCOCC[NH3+])C(F)(F)F ZINC001220519354 780358990 /nfs/dbraw/zinc/35/89/90/780358990.db2.gz LCVXTIUYFYBZBU-ZETCQYMHSA-N 1 3 273.255 -1.016 20 0 CAADHO CCOC(=O)C1=C(NC(=O)C2(N)CC[NH2+]CC2)CCNC1 ZINC001220523479 780359334 /nfs/dbraw/zinc/35/93/34/780359334.db2.gz OYILLZCTFCVGGY-UHFFFAOYSA-N 1 3 296.371 -1.006 20 0 CAADHO NC(C(=O)NCCOCCOCC[NH3+])C(F)(F)F ZINC001220519353 780359400 /nfs/dbraw/zinc/35/94/00/780359400.db2.gz LCVXTIUYFYBZBU-SSDOTTSWSA-N 1 3 273.255 -1.016 20 0 CAADHO CCOC(=O)C1=C(NC(=O)C[C@@H](O)C[NH3+])CCNC1 ZINC001220522058 780359564 /nfs/dbraw/zinc/35/95/64/780359564.db2.gz ZUNROCRIYMWOFJ-MRVPVSSYSA-N 1 3 271.317 -1.377 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570977 780362461 /nfs/dbraw/zinc/36/24/61/780362461.db2.gz FPYKZZTVBGGVDX-SNVBAGLBSA-N 1 3 256.350 -1.499 20 0 CAADHO O=C(NCCN1CC2(COC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220571606 780363111 /nfs/dbraw/zinc/36/31/11/780363111.db2.gz VHBWXBLRADSVLK-LLVKDONJSA-N 1 3 280.372 -1.756 20 0 CAADHO O=C(NCCN1CC2(COC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220571113 780364268 /nfs/dbraw/zinc/36/42/68/780364268.db2.gz JCCRUBQENBHMSR-IUODEOHRSA-N 1 3 294.399 -1.366 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220575818 780365899 /nfs/dbraw/zinc/36/58/99/780365899.db2.gz MDMAGSBHPMBKBT-LLVKDONJSA-N 1 3 286.332 -2.281 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@H](N)CCC[NH3+] ZINC001220576057 780366359 /nfs/dbraw/zinc/36/63/59/780366359.db2.gz RAWKDWVGRHVUMG-SSDOTTSWSA-N 1 3 260.294 -2.542 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220596689 780369417 /nfs/dbraw/zinc/36/94/17/780369417.db2.gz FPOGRWZMINMXJT-JTQLQIEISA-N 1 3 252.318 -1.858 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1=O ZINC001220590644 780369603 /nfs/dbraw/zinc/36/96/03/780369603.db2.gz PQDMPNDJSYTFJG-UWVGGRQHSA-N 1 3 266.345 -1.468 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1=O ZINC001220589834 780370369 /nfs/dbraw/zinc/37/03/69/780370369.db2.gz FNSBWKNNFOMCMH-UHIISALHSA-N 1 3 280.372 -1.078 20 0 CAADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220756813 780378887 /nfs/dbraw/zinc/37/88/87/780378887.db2.gz KTYVHLTYLGXDEF-SCZZXKLOSA-N 1 3 276.406 -1.106 20 0 CAADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220768760 780380547 /nfs/dbraw/zinc/38/05/47/780380547.db2.gz ANZGZRDNECTVIG-WDEREUQCSA-N 1 3 297.359 -1.313 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H](N)Cc2c[nH]cn2)C[NH2+]C1 ZINC001220825641 780381827 /nfs/dbraw/zinc/38/18/27/780381827.db2.gz PIHMMUNDCBAHHG-SNVBAGLBSA-N 1 3 293.327 -1.184 20 0 CAADHO CSCC[C@H](NC(=O)[C@H](N)CCC[NH3+])C(N)=O ZINC001220840592 780384144 /nfs/dbraw/zinc/38/41/44/780384144.db2.gz QKODGKVQSCVUAB-SFYZADRCSA-N 1 3 262.379 -1.224 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H](CO)NC)C[NH2+]C1 ZINC001220829288 780384374 /nfs/dbraw/zinc/38/43/74/780384374.db2.gz ZHZMMCYAKVRSQC-VIFPVBQESA-N 1 3 257.290 -1.897 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@H](C)N)C[NH2+]C1 ZINC001220830490 780385176 /nfs/dbraw/zinc/38/51/76/780385176.db2.gz YMCJMRIDBMFPHL-YUMQZZPRSA-N 1 3 298.343 -1.625 20 0 CAADHO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220881290 780390151 /nfs/dbraw/zinc/39/01/51/780390151.db2.gz HPKCBZVWDKXPAD-VGMNWLOBSA-N 1 3 275.374 -1.069 20 0 CAADHO CSCC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220840906 780386207 /nfs/dbraw/zinc/38/62/07/780386207.db2.gz ZACASGFGRPYKMQ-BDAKNGLRSA-N 1 3 286.401 -1.481 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])COC(C)=O)CNC1 ZINC001220850954 780387204 /nfs/dbraw/zinc/38/72/04/780387204.db2.gz BLNAIYZNMLNUFA-QMMMGPOBSA-N 1 3 273.289 -2.102 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H](N)COC(C)=O)C[NH2+]C1 ZINC001220850954 780387214 /nfs/dbraw/zinc/38/72/14/780387214.db2.gz BLNAIYZNMLNUFA-QMMMGPOBSA-N 1 3 273.289 -2.102 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CNC1 ZINC001220851227 780388211 /nfs/dbraw/zinc/38/82/11/780388211.db2.gz MYPODWDPVOQEGT-LNLATYFQSA-N 1 3 282.344 -1.771 20 0 CAADHO CCOC(=O)C1(NC(=O)C[C@@H]2COCCN2)CNC1 ZINC001220851177 780388743 /nfs/dbraw/zinc/38/87/43/780388743.db2.gz LARNUPHDLDTDCM-SECBINFHSA-N 1 3 271.317 -1.614 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CNC1 ZINC001220851183 780389300 /nfs/dbraw/zinc/38/93/00/780389300.db2.gz LHBXAGZVINTAJA-SFYZADRCSA-N 1 3 256.306 -2.303 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CNC1 ZINC001220851183 780389309 /nfs/dbraw/zinc/38/93/09/780389309.db2.gz LHBXAGZVINTAJA-SFYZADRCSA-N 1 3 256.306 -2.303 20 0 CAADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001221238813 780407099 /nfs/dbraw/zinc/40/70/99/780407099.db2.gz DASQOZZGJDOQLF-XLDPMVHQSA-N 1 3 257.338 -1.242 20 0 CAADHO O=C(NCCN1CCNCC1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220872249 780390785 /nfs/dbraw/zinc/39/07/85/780390785.db2.gz QJVXDPVHDGYMAW-SNVBAGLBSA-N 1 3 281.360 -2.657 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220877404 780391286 /nfs/dbraw/zinc/39/12/86/780391286.db2.gz YROKYGQSTGRRBC-SNVBAGLBSA-N 1 3 298.343 -1.890 20 0 CAADHO O=C(NCCN1CCNCC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220872132 780391484 /nfs/dbraw/zinc/39/14/84/780391484.db2.gz LHEUTVRCDFQGKK-BXUZGUMPSA-N 1 3 295.387 -2.267 20 0 CAADHO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220881288 780391999 /nfs/dbraw/zinc/39/19/99/780391999.db2.gz HPKCBZVWDKXPAD-CIUDSAMLSA-N 1 3 275.374 -1.069 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220881081 780393269 /nfs/dbraw/zinc/39/32/69/780393269.db2.gz CAEOEBBKILJMDQ-BBBLOLIVSA-N 1 3 267.329 -1.279 20 0 CAADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884767 780393570 /nfs/dbraw/zinc/39/35/70/780393570.db2.gz MOJYVTPDFYBZOA-BDAKNGLRSA-N 1 3 257.338 -1.370 20 0 CAADHO N[C@@H](CC(F)F)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903172 780394154 /nfs/dbraw/zinc/39/41/54/780394154.db2.gz OCOFAYVQWFVZNK-LURJTMIESA-N 1 3 284.267 -1.367 20 0 CAADHO CCC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220906950 780394995 /nfs/dbraw/zinc/39/49/95/780394995.db2.gz DKGPVCYYPCDFFI-WDEREUQCSA-N 1 3 280.372 -1.078 20 0 CAADHO O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001220936388 780395801 /nfs/dbraw/zinc/39/58/01/780395801.db2.gz FYQJOISTHLBSFW-MNOVXSKESA-N 1 3 284.360 -2.189 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937137 780396382 /nfs/dbraw/zinc/39/63/82/780396382.db2.gz MSQSTUKCXYUAAX-LXIMFEHMSA-N 1 3 277.390 -1.423 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937136 780396882 /nfs/dbraw/zinc/39/68/82/780396882.db2.gz MSQSTUKCXYUAAX-JJQCHNSYSA-N 1 3 277.390 -1.423 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937330 780396931 /nfs/dbraw/zinc/39/69/31/780396931.db2.gz PDRRANWJMNFPLO-RYUDHWBXSA-N 1 3 281.360 -1.215 20 0 CAADHO O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001220936387 780397262 /nfs/dbraw/zinc/39/72/62/780397262.db2.gz FYQJOISTHLBSFW-GHMZBOCLSA-N 1 3 284.360 -2.189 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cc(C[NH3+])cnc1=N ZINC001220951341 780397800 /nfs/dbraw/zinc/39/78/00/780397800.db2.gz YEHVGYOBPKWMPP-KWQFWETISA-N 1 3 294.359 -1.049 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221370831 780418626 /nfs/dbraw/zinc/41/86/26/780418626.db2.gz UPESHGSGOVXFSV-JGVFFNPUSA-N 1 3 274.390 -1.354 20 0 CAADHO COC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001221018564 780402087 /nfs/dbraw/zinc/40/20/87/780402087.db2.gz FRTZMKVAYKIMAO-BDAKNGLRSA-N 1 3 298.343 -2.281 20 0 CAADHO COC(=O)CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001221019329 780403419 /nfs/dbraw/zinc/40/34/19/780403419.db2.gz TXYSTOYYVZTDCI-IUCAKERBSA-N 1 3 288.348 -1.634 20 0 CAADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001221239393 780407106 /nfs/dbraw/zinc/40/71/06/780407106.db2.gz NHASJDSDZUHUPH-ATZCPNFKSA-N 1 3 254.334 -1.687 20 0 CAADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001221239397 780407150 /nfs/dbraw/zinc/40/71/50/780407150.db2.gz NHASJDSDZUHUPH-KKZNHRDASA-N 1 3 254.334 -1.687 20 0 CAADHO CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001221234747 780407254 /nfs/dbraw/zinc/40/72/54/780407254.db2.gz LOOQOXOHYPASJR-UWVGGRQHSA-N 1 3 268.361 -1.044 20 0 CAADHO CN1CCC[C@@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240826 780407569 /nfs/dbraw/zinc/40/75/69/780407569.db2.gz DKEPLOZLWJQYFZ-DGCLKSJQSA-N 1 3 282.388 -1.083 20 0 CAADHO O=C(NC1CN(C2COC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221245752 780408184 /nfs/dbraw/zinc/40/81/84/780408184.db2.gz ARSRISPFTTYBOV-NSHDSACASA-N 1 3 266.345 -2.005 20 0 CAADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001221254332 780409120 /nfs/dbraw/zinc/40/91/20/780409120.db2.gz KQYUUTIUGVVRGY-VHSXEESVSA-N 1 3 271.365 -1.170 20 0 CAADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001221254332 780409126 /nfs/dbraw/zinc/40/91/26/780409126.db2.gz KQYUUTIUGVVRGY-VHSXEESVSA-N 1 3 271.365 -1.170 20 0 CAADHO N[C@@H](C(=O)NC1=CC(=O)NCC1)C1CC[NH2+]CC1 ZINC001221316695 780414091 /nfs/dbraw/zinc/41/40/91/780414091.db2.gz MMTSUTIYMWJLTM-LLVKDONJSA-N 1 3 252.318 -1.167 20 0 CAADHO Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(=O)[nH]1 ZINC001221327991 780414956 /nfs/dbraw/zinc/41/49/56/780414956.db2.gz HWPXVAVOQZBTIK-QMMMGPOBSA-N 1 3 263.301 -1.174 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221316975 780415030 /nfs/dbraw/zinc/41/50/30/780415030.db2.gz QJGXFFVPYQXWTA-QMMMGPOBSA-N 1 3 258.347 -1.474 20 0 CAADHO O=C(NC1=CC(=O)NCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221316077 780415077 /nfs/dbraw/zinc/41/50/77/780415077.db2.gz CWYNNSSEWHBFTD-NOZJJQNGSA-N 1 3 264.329 -1.295 20 0 CAADHO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221340533 780415710 /nfs/dbraw/zinc/41/57/10/780415710.db2.gz XRHUXHKIIKPOHU-CFDXXZMTSA-N 1 3 251.330 -1.054 20 0 CAADHO [NH3+]CCCCNC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221345490 780416461 /nfs/dbraw/zinc/41/64/61/780416461.db2.gz ZQQXDSBSNFTNRJ-SECBINFHSA-N 1 3 275.374 -1.382 20 0 CAADHO O=C(NC1=CCOC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221331891 780416540 /nfs/dbraw/zinc/41/65/40/780416540.db2.gz MWWAMLODTYSJNL-PRHODGIISA-N 1 3 251.286 -1.258 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221368452 780417243 /nfs/dbraw/zinc/41/72/43/780417243.db2.gz FPVCZXZODWJLDV-GPCCPHFNSA-N 1 3 280.372 -1.174 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221368455 780417252 /nfs/dbraw/zinc/41/72/52/780417252.db2.gz FPVCZXZODWJLDV-ISTVAULSSA-N 1 3 280.372 -1.174 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221367699 780417284 /nfs/dbraw/zinc/41/72/84/780417284.db2.gz AJVKZMCBVYKTHP-DTWKUNHWSA-N 1 3 266.345 -1.564 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221368905 780417785 /nfs/dbraw/zinc/41/77/85/780417785.db2.gz INOCCZWRVQCSET-KBVBSXBZSA-N 1 3 268.317 -1.590 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221370832 780418396 /nfs/dbraw/zinc/41/83/96/780418396.db2.gz UPESHGSGOVXFSV-YUMQZZPRSA-N 1 3 274.390 -1.354 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001221402561 780419926 /nfs/dbraw/zinc/41/99/26/780419926.db2.gz IDOYFMOKKHICHY-UWVGGRQHSA-N 1 3 257.334 -1.718 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221403807 780420805 /nfs/dbraw/zinc/42/08/05/780420805.db2.gz YIUXJFHZNIVGFT-NSHDSACASA-N 1 3 298.387 -2.110 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001221402560 780420840 /nfs/dbraw/zinc/42/08/40/780420840.db2.gz IDOYFMOKKHICHY-NXEZZACHSA-N 1 3 257.334 -1.718 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001221403463 780420881 /nfs/dbraw/zinc/42/08/81/780420881.db2.gz SYWMZBLWMJPOMP-CYBMUJFWSA-N 1 3 270.377 -1.360 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221402698 780420888 /nfs/dbraw/zinc/42/08/88/780420888.db2.gz KLPCCATUPFEDGN-ZJUUUORDSA-N 1 3 257.334 -1.860 20 0 CAADHO Cc1nnc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)[nH]1 ZINC001221410743 780421457 /nfs/dbraw/zinc/42/14/57/780421457.db2.gz YZXVYJORJILDND-QMMMGPOBSA-N 1 3 250.306 -1.462 20 0 CAADHO Cc1nnc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)[nH]1 ZINC001221410742 780421472 /nfs/dbraw/zinc/42/14/72/780421472.db2.gz YZXVYJORJILDND-MRVPVSSYSA-N 1 3 250.306 -1.462 20 0 CAADHO CNC(=O)CN1CCO[C@H]2CN(CCCC[NH3+])C[C@H]21 ZINC001235552136 780492749 /nfs/dbraw/zinc/49/27/49/780492749.db2.gz LMKAJNJMKTVEKP-NEPJUHHUSA-N 1 3 270.377 -1.144 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CNCCOC1 ZINC001238111424 780513949 /nfs/dbraw/zinc/51/39/49/780513949.db2.gz VJZKCUOANMSTGA-NSHDSACASA-N 1 3 277.390 -1.106 20 0 CAADHO NCCS(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC001238187770 780514932 /nfs/dbraw/zinc/51/49/32/780514932.db2.gz QOXQMWSJECCEFF-UHFFFAOYSA-N 1 3 250.368 -1.840 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238349086 780517288 /nfs/dbraw/zinc/51/72/88/780517288.db2.gz WIFNZGUZOLKQFF-NXEZZACHSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238349444 780517416 /nfs/dbraw/zinc/51/74/16/780517416.db2.gz WIFNZGUZOLKQFF-ZJUUUORDSA-N 1 3 263.363 -1.224 20 0 CAADHO O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331210 780517565 /nfs/dbraw/zinc/51/75/65/780517565.db2.gz NDRLPXURGOHSKE-ONGXEEELSA-N 1 3 288.373 -1.764 20 0 CAADHO NCCS(=O)(=O)NCCOCCOCC[NH3+] ZINC001238615009 780520425 /nfs/dbraw/zinc/52/04/25/780520425.db2.gz PPBMXWNAUDABPI-UHFFFAOYSA-N 1 3 255.340 -2.144 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238837773 780523365 /nfs/dbraw/zinc/52/33/65/780523365.db2.gz VUVLPAVNTQIQMP-BDAKNGLRSA-N 1 3 279.362 -1.452 20 0 CAADHO NCCS(=O)(=O)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239018894 780528443 /nfs/dbraw/zinc/52/84/43/780528443.db2.gz ZSFIRFWDUXTEPG-UWVGGRQHSA-N 1 3 262.379 -1.699 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2CNC[C@@H](C1)O2 ZINC001239063166 780528856 /nfs/dbraw/zinc/52/88/56/780528856.db2.gz BZHAIXPCSYWPFC-TXEJJXNPSA-N 1 3 289.401 -1.012 20 0 CAADHO NCCS(=O)(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001239022657 780528892 /nfs/dbraw/zinc/52/88/92/780528892.db2.gz CTQDLADGRLBXAF-SNVBAGLBSA-N 1 3 279.362 -2.034 20 0 CAADHO NCCS(=O)(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001239022656 780529019 /nfs/dbraw/zinc/52/90/19/780529019.db2.gz CTQDLADGRLBXAF-JTQLQIEISA-N 1 3 279.362 -2.034 20 0 CAADHO NCCS(=O)(=O)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001239044393 780529140 /nfs/dbraw/zinc/52/91/40/780529140.db2.gz JLISGUSGNSMJFR-NSHDSACASA-N 1 3 293.389 -1.644 20 0 CAADHO NCCS(=O)(=O)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001239044389 780529262 /nfs/dbraw/zinc/52/92/62/780529262.db2.gz JLISGUSGNSMJFR-LLVKDONJSA-N 1 3 293.389 -1.644 20 0 CAADHO NCCS(=O)(=O)N1CCN(C2CC[NH2+]CC2)CC1 ZINC001239083873 780529922 /nfs/dbraw/zinc/52/99/22/780529922.db2.gz AGILVPIXMSBJOK-UHFFFAOYSA-N 1 3 276.406 -1.356 20 0 CAADHO NCCS(=O)(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001239119594 780531719 /nfs/dbraw/zinc/53/17/19/780531719.db2.gz GZZFJRFFYUKXGP-VIFPVBQESA-N 1 3 263.363 -1.536 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001239114035 780531892 /nfs/dbraw/zinc/53/18/92/780531892.db2.gz RJESMLONMPHSJR-NSHDSACASA-N 1 3 276.406 -1.370 20 0 CAADHO COC(=O)[C@H]1CN(S(=O)(=O)CCN)CC[C@@H]1[NH3+] ZINC001239143856 780534119 /nfs/dbraw/zinc/53/41/19/780534119.db2.gz BRONPSKJKAHQHB-YUMQZZPRSA-N 1 3 265.335 -1.903 20 0 CAADHO COCCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCN ZINC001239168599 780534182 /nfs/dbraw/zinc/53/41/82/780534182.db2.gz CKHRYZSCSRKCRJ-SNVBAGLBSA-N 1 3 265.379 -1.025 20 0 CAADHO CCOC(=O)C[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246006466 780539604 /nfs/dbraw/zinc/53/96/04/780539604.db2.gz IFAFKMMYIQWLBY-UWVGGRQHSA-N 1 3 275.349 -1.127 20 0 CAADHO COC(=O)[C@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984757 780539678 /nfs/dbraw/zinc/53/96/78/780539678.db2.gz JVBVWWRCRJHHEI-WDEREUQCSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984755 780539861 /nfs/dbraw/zinc/53/98/61/780539861.db2.gz JVBVWWRCRJHHEI-QWRGUYRKSA-N 1 3 271.361 -1.016 20 0 CAADHO [NH3+]C[C@]1(O)CCCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001246022424 780540680 /nfs/dbraw/zinc/54/06/80/780540680.db2.gz NUWHUEKWCXHDEH-UONOGXRCSA-N 1 3 287.404 -1.145 20 0 CAADHO COC(=O)[C@@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246033357 780540957 /nfs/dbraw/zinc/54/09/57/780540957.db2.gz VGLNKCJZGBECFD-JTQLQIEISA-N 1 3 257.334 -1.452 20 0 CAADHO COC(=O)[C@@H]1CNCCN1CC1(O)CC[NH2+]CC1 ZINC001246049423 780541537 /nfs/dbraw/zinc/54/15/37/780541537.db2.gz REVVPOKQDOECSC-JTQLQIEISA-N 1 3 257.334 -1.452 20 0 CAADHO [NH3+]C[C@@]1(O)CCCCN(C[C@H](O)CN2CCOCC2)C1 ZINC001246022422 780541851 /nfs/dbraw/zinc/54/18/51/780541851.db2.gz NUWHUEKWCXHDEH-KGLIPLIRSA-N 1 3 287.404 -1.145 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C2(CO)CCNCC2)CN1 ZINC001246119984 780543991 /nfs/dbraw/zinc/54/39/91/780543991.db2.gz YJBIGAFVSGSYJE-QWRGUYRKSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H]1C[C@H](NCCN2CC[NH2+]CC2)CN1 ZINC001246119513 780544280 /nfs/dbraw/zinc/54/42/80/780544280.db2.gz FXJZBGDZXWVUHX-QWRGUYRKSA-N 1 3 256.350 -1.615 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246085030 780544335 /nfs/dbraw/zinc/54/43/35/780544335.db2.gz VNOOCDXOOVUJQG-FYLLDIAZSA-N 1 3 275.324 -1.458 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC[C@@H]2O)CN1 ZINC001246218157 780548530 /nfs/dbraw/zinc/54/85/30/780548530.db2.gz MXRXECUWBFQVOE-ZNSHCXBVSA-N 1 3 257.334 -1.408 20 0 CAADHO CS(=O)(=O)N1CC(N[C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246218545 780548778 /nfs/dbraw/zinc/54/87/78/780548778.db2.gz UYUWQXMLXQXGMU-SECBINFHSA-N 1 3 274.390 -1.686 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCCNC2)CN1 ZINC001246234816 780549752 /nfs/dbraw/zinc/54/97/52/780549752.db2.gz WOVKDVNGEKGSPN-NTZNESFSSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246420087 780553226 /nfs/dbraw/zinc/55/32/26/780553226.db2.gz WNQSMGWZBQKRRM-VWYCJHECSA-N 1 3 286.376 -1.148 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CN1 ZINC001246404828 780553746 /nfs/dbraw/zinc/55/37/46/780553746.db2.gz LTKNPVISDIOGDI-NEPJUHHUSA-N 1 3 270.377 -1.097 20 0 CAADHO COC(=O)[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CN1 ZINC001246404830 780553819 /nfs/dbraw/zinc/55/38/19/780553819.db2.gz LTKNPVISDIOGDI-RYUDHWBXSA-N 1 3 270.377 -1.097 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NCCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246372190 780554012 /nfs/dbraw/zinc/55/40/12/780554012.db2.gz YKLHFJYABYQIRJ-MXWKQRLJSA-N 1 3 257.334 -1.142 20 0 CAADHO CC[C@@]1(C(=O)OC)C[C@H](NCCNCC[NH3+])CN1 ZINC001246405405 780554117 /nfs/dbraw/zinc/55/41/17/780554117.db2.gz OMDAYNXMOMKPNN-JQWIXIFHSA-N 1 3 258.366 -1.192 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCCN(C)CCO)CN1 ZINC001246491112 780554856 /nfs/dbraw/zinc/55/48/56/780554856.db2.gz OCFRKUCWRNYLEB-QWRGUYRKSA-N 1 3 259.350 -1.206 20 0 CAADHO O=C1NCCN([C@H]2CCNC3(C[NH2+]C3)C2)C12CNC2 ZINC001246635345 780560383 /nfs/dbraw/zinc/56/03/83/780560383.db2.gz KQJHKZXUDJRNHQ-JTQLQIEISA-N 1 3 265.361 -2.146 20 0 CAADHO O=C1NCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C12CNC2 ZINC001246635362 780560640 /nfs/dbraw/zinc/56/06/40/780560640.db2.gz KQJHKZXUDJRNHQ-SNVBAGLBSA-N 1 3 265.361 -2.146 20 0 CAADHO COC(=O)[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691820 780561059 /nfs/dbraw/zinc/56/10/59/780561059.db2.gz GAQKNQRZLHSSRD-GHMZBOCLSA-N 1 3 268.361 -1.473 20 0 CAADHO O=C1COC[C@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872329 780564013 /nfs/dbraw/zinc/56/40/13/780564013.db2.gz ROUCLEUGWFLHAW-NWDGAFQWSA-N 1 3 280.372 -1.377 20 0 CAADHO COC(=O)[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867618 780565165 /nfs/dbraw/zinc/56/51/65/780565165.db2.gz JLZUHWXIEFHZPH-RYUDHWBXSA-N 1 3 282.388 -1.131 20 0 CAADHO COC(=O)[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867615 780565188 /nfs/dbraw/zinc/56/51/88/780565188.db2.gz JLZUHWXIEFHZPH-NEPJUHHUSA-N 1 3 282.388 -1.131 20 0 CAADHO C[N@H+](CCO)CCCNC[C@@H](O)CN1CCOCC1 ZINC001251047742 780572708 /nfs/dbraw/zinc/57/27/08/780572708.db2.gz XMRSIAFKXRIBST-CYBMUJFWSA-N 1 3 275.393 -1.417 20 0 CAADHO C[N@@H+](CCO)CCCNC[C@@H](O)CN1CCOCC1 ZINC001251047742 780572712 /nfs/dbraw/zinc/57/27/12/780572712.db2.gz XMRSIAFKXRIBST-CYBMUJFWSA-N 1 3 275.393 -1.417 20 0 CAADHO C[N@H+](CCO)CCCNC[C@H](O)CN1CCOCC1 ZINC001251047745 780573552 /nfs/dbraw/zinc/57/35/52/780573552.db2.gz XMRSIAFKXRIBST-ZDUSSCGKSA-N 1 3 275.393 -1.417 20 0 CAADHO C[N@@H+](CCO)CCCNC[C@H](O)CN1CCOCC1 ZINC001251047745 780573558 /nfs/dbraw/zinc/57/35/58/780573558.db2.gz XMRSIAFKXRIBST-ZDUSSCGKSA-N 1 3 275.393 -1.417 20 0 CAADHO CCN(CC)C[C@H](O)C[NH2+]C[C@H]1CNC(=O)CO1 ZINC001253208757 780591895 /nfs/dbraw/zinc/59/18/95/780591895.db2.gz SUAVBRXDOHVJAW-MNOVXSKESA-N 1 3 259.350 -1.206 20 0 CAADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@H]1CNC(=O)CO1 ZINC001253208764 780592674 /nfs/dbraw/zinc/59/26/74/780592674.db2.gz SUAVBRXDOHVJAW-QWRGUYRKSA-N 1 3 259.350 -1.206 20 0 CAADHO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001261483058 780665111 /nfs/dbraw/zinc/66/51/11/780665111.db2.gz HDNIXTAYDUNXNC-CHWSQXEVSA-N 1 3 274.409 -1.893 20 0 CAADHO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001261483060 780666698 /nfs/dbraw/zinc/66/66/98/780666698.db2.gz HDNIXTAYDUNXNC-QWHCGFSZSA-N 1 3 274.409 -1.893 20 0 CAADHO O=c1c2c(ncn1C[C@@H]1CNCCO1)CC[NH2+]CC2 ZINC001261578661 780672883 /nfs/dbraw/zinc/67/28/83/780672883.db2.gz LGJFCLLLSXGLQU-JTQLQIEISA-N 1 3 264.329 -1.080 20 0 CAADHO COCCNCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263168411 780722827 /nfs/dbraw/zinc/72/28/27/780722827.db2.gz MFNYKAIZBQOSEM-NSHDSACASA-N 1 3 259.350 -1.205 20 0 CAADHO [NH3+]CCn1cc(C(=O)N2CCN3CC[C@H]2C3)nn1 ZINC000382053815 780729413 /nfs/dbraw/zinc/72/94/13/780729413.db2.gz YWLWVGYVTCZWNK-VIFPVBQESA-N 1 3 250.306 -1.233 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135513276 781373228 /nfs/dbraw/zinc/37/32/28/781373228.db2.gz KMGNZUZBIDTCJA-UHFFFAOYSA-N 1 3 299.375 -1.414 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135513772 781374318 /nfs/dbraw/zinc/37/43/18/781374318.db2.gz YGYWNEDBXLINBC-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135512846 781374342 /nfs/dbraw/zinc/37/43/42/781374342.db2.gz AFGNWOZFYCMSTI-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO C[NH+]1CCC(OCC(=O)NCCNCC(N)=O)CC1 ZINC001135959058 781389038 /nfs/dbraw/zinc/38/90/38/781389038.db2.gz JWFADHVAKLGITB-UHFFFAOYSA-N 1 3 272.349 -1.712 20 0 CAADHO C[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135959071 781389680 /nfs/dbraw/zinc/38/96/80/781389680.db2.gz KBRXRSQZMVNULJ-JTQLQIEISA-N 1 3 286.376 -1.323 20 0 CAADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001246006112 781397888 /nfs/dbraw/zinc/39/78/88/781397888.db2.gz HDNOQYZQELZOTJ-RYUDHWBXSA-N 1 3 288.392 -1.748 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246090755 781404800 /nfs/dbraw/zinc/40/48/00/781404800.db2.gz YXVSEOUVHVXDFT-MRBYEJRBSA-N 1 3 289.351 -1.068 20 0 CAADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001159997330 781411741 /nfs/dbraw/zinc/41/17/41/781411741.db2.gz MFEFAEMZXKSJGW-UHFFFAOYSA-N 1 3 299.375 -1.239 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144135034 781444304 /nfs/dbraw/zinc/44/43/04/781444304.db2.gz CRJXQWCVQLQQBF-SECBINFHSA-N 1 3 257.338 -1.399 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCNCCNS(C)(=O)=O ZINC001146711162 781490264 /nfs/dbraw/zinc/49/02/64/781490264.db2.gz PWOOADVWVAYARM-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO NC(=O)[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839250 781483454 /nfs/dbraw/zinc/48/34/54/781483454.db2.gz CKHZQUZMLMDEIZ-NXEZZACHSA-N 1 3 254.334 -1.734 20 0 CAADHO NC(=O)[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839261 781483903 /nfs/dbraw/zinc/48/39/03/781483903.db2.gz CKHZQUZMLMDEIZ-VHSXEESVSA-N 1 3 254.334 -1.734 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCNCCNS(C)(=O)=O ZINC001146711162 781490260 /nfs/dbraw/zinc/49/02/60/781490260.db2.gz PWOOADVWVAYARM-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001146711444 781490141 /nfs/dbraw/zinc/49/01/41/781490141.db2.gz SBFIQFUAGBIGIM-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001146711444 781490143 /nfs/dbraw/zinc/49/01/43/781490143.db2.gz SBFIQFUAGBIGIM-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001146728257 781490964 /nfs/dbraw/zinc/49/09/64/781490964.db2.gz XDRBGZRZMVOEOH-JTQLQIEISA-N 1 3 284.360 -1.161 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001146728257 781490965 /nfs/dbraw/zinc/49/09/65/781490965.db2.gz XDRBGZRZMVOEOH-JTQLQIEISA-N 1 3 284.360 -1.161 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001147848388 781522482 /nfs/dbraw/zinc/52/24/82/781522482.db2.gz MYASMRRMIOUGHR-UHFFFAOYSA-N 1 3 289.336 -2.535 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001147886035 781523022 /nfs/dbraw/zinc/52/30/22/781523022.db2.gz RTNQEKDJUDHWMC-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001147886035 781523023 /nfs/dbraw/zinc/52/30/23/781523023.db2.gz RTNQEKDJUDHWMC-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)N1CCC1 ZINC001147842325 781523097 /nfs/dbraw/zinc/52/30/97/781523097.db2.gz RTPXCZBHGSYEBL-UHFFFAOYSA-N 1 3 286.376 -1.497 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001147885602 781523168 /nfs/dbraw/zinc/52/31/68/781523168.db2.gz NNLMFVXTEBKQGS-GHMZBOCLSA-N 1 3 296.371 -1.161 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001147885602 781523171 /nfs/dbraw/zinc/52/31/71/781523171.db2.gz NNLMFVXTEBKQGS-GHMZBOCLSA-N 1 3 296.371 -1.161 20 0 CAADHO CC(C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841244 781523406 /nfs/dbraw/zinc/52/34/06/781523406.db2.gz AXJIYIOJEJGGGC-UHFFFAOYSA-N 1 3 288.392 -1.205 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886553 781523930 /nfs/dbraw/zinc/52/39/30/781523930.db2.gz XNGCYJVQCMUWDJ-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886553 781523937 /nfs/dbraw/zinc/52/39/37/781523937.db2.gz XNGCYJVQCMUWDJ-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)COCC[NH+](C)C)C1=O ZINC001147892448 781524780 /nfs/dbraw/zinc/52/47/80/781524780.db2.gz IFWVUOFNFRLRGJ-LLVKDONJSA-N 1 3 286.376 -1.499 20 0 CAADHO CN1CC[C@H](NCCNC(=O)COCC[NH+](C)C)C1=O ZINC001147892453 781525155 /nfs/dbraw/zinc/52/51/55/781525155.db2.gz IFWVUOFNFRLRGJ-NSHDSACASA-N 1 3 286.376 -1.499 20 0 CAADHO CNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878110 781525192 /nfs/dbraw/zinc/52/51/92/781525192.db2.gz SAYZVOCGJSIQEZ-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878110 781525194 /nfs/dbraw/zinc/52/51/94/781525194.db2.gz SAYZVOCGJSIQEZ-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878111 781525306 /nfs/dbraw/zinc/52/53/06/781525306.db2.gz SAYZVOCGJSIQEZ-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878111 781525311 /nfs/dbraw/zinc/52/53/11/781525311.db2.gz SAYZVOCGJSIQEZ-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977656 781526505 /nfs/dbraw/zinc/52/65/05/781526505.db2.gz UIXCABUZGJYRHH-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO CCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977344 781526579 /nfs/dbraw/zinc/52/65/79/781526579.db2.gz PAACNCVRFQTAFR-UHFFFAOYSA-N 1 3 268.361 -1.076 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976894 781526606 /nfs/dbraw/zinc/52/66/06/781526606.db2.gz DGFNSWBCXPJGTO-UHFFFAOYSA-N 1 3 268.361 -1.124 20 0 CAADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001147977700 781526932 /nfs/dbraw/zinc/52/69/32/781526932.db2.gz WJWZMLUJGMMEQO-SNVBAGLBSA-N 1 3 294.355 -1.407 20 0 CAADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147977147 781527276 /nfs/dbraw/zinc/52/72/76/781527276.db2.gz LBHOFPJYDMUIEM-VIFPVBQESA-N 1 3 254.334 -1.338 20 0 CAADHO NC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976837 781527336 /nfs/dbraw/zinc/52/73/36/781527336.db2.gz BMHOAVOXAQHEMQ-UHFFFAOYSA-N 1 3 283.332 -2.017 20 0 CAADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001148570668 781536871 /nfs/dbraw/zinc/53/68/71/781536871.db2.gz KASYMPUMMJVBAV-UHFFFAOYSA-N 1 3 287.364 -1.381 20 0 CAADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001148570668 781536874 /nfs/dbraw/zinc/53/68/74/781536874.db2.gz KASYMPUMMJVBAV-UHFFFAOYSA-N 1 3 287.364 -1.381 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148642038 781536893 /nfs/dbraw/zinc/53/68/93/781536893.db2.gz CJFZVFBWTONLDA-UHFFFAOYSA-N 1 3 299.375 -1.414 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148638412 781538135 /nfs/dbraw/zinc/53/81/35/781538135.db2.gz HCOHIRDNNMIFOL-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176972030 781612801 /nfs/dbraw/zinc/61/28/01/781612801.db2.gz LERMYYZZQMYNMZ-UHFFFAOYSA-N 1 3 287.364 -1.383 20 0 CAADHO CN1CCN(C)[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000068807821 781645913 /nfs/dbraw/zinc/64/59/13/781645913.db2.gz AZSAAYLHCSZFET-MNOVXSKESA-N 1 3 256.350 -1.663 20 0 CAADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934159 781652663 /nfs/dbraw/zinc/65/26/63/781652663.db2.gz UCDXLXRZQOTBQD-QWRGUYRKSA-N 1 3 286.376 -1.371 20 0 CAADHO N=C(N)N(CCCC[NH3+])C(=O)C1=NNC(=O)CC1 ZINC001180258521 781658834 /nfs/dbraw/zinc/65/88/34/781658834.db2.gz FTFKAFFVQKIERW-UHFFFAOYSA-N 1 3 254.294 -1.287 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065934 781702149 /nfs/dbraw/zinc/70/21/49/781702149.db2.gz OKLIUMFEYNTBGC-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065934 781702157 /nfs/dbraw/zinc/70/21/57/781702157.db2.gz OKLIUMFEYNTBGC-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151049409 781696386 /nfs/dbraw/zinc/69/63/86/781696386.db2.gz NPUFOJOKLXVOTB-VHSXEESVSA-N 1 3 254.334 -1.468 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151049409 781696389 /nfs/dbraw/zinc/69/63/89/781696389.db2.gz NPUFOJOKLXVOTB-VHSXEESVSA-N 1 3 254.334 -1.468 20 0 CAADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181651375 781697573 /nfs/dbraw/zinc/69/75/73/781697573.db2.gz BPOCMKSBEHDOME-NXEZZACHSA-N 1 3 297.359 -1.534 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001151056352 781699704 /nfs/dbraw/zinc/69/97/04/781699704.db2.gz LNPMVYNHOQGPNV-UWVGGRQHSA-N 1 3 282.344 -1.551 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001151056352 781699707 /nfs/dbraw/zinc/69/97/07/781699707.db2.gz LNPMVYNHOQGPNV-UWVGGRQHSA-N 1 3 282.344 -1.551 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065935 781701345 /nfs/dbraw/zinc/70/13/45/781701345.db2.gz OKLIUMFEYNTBGC-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065935 781701349 /nfs/dbraw/zinc/70/13/49/781701349.db2.gz OKLIUMFEYNTBGC-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065872 781702320 /nfs/dbraw/zinc/70/23/20/781702320.db2.gz NYMWDADOXWLDBM-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065872 781702326 /nfs/dbraw/zinc/70/23/26/781702326.db2.gz NYMWDADOXWLDBM-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CN1CCC(O)(C(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001182036006 781704795 /nfs/dbraw/zinc/70/47/95/781704795.db2.gz IOKQZWIPCUYFAT-UHFFFAOYSA-N 1 3 265.317 -1.082 20 0 CAADHO CN1CCC(O)(C(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001182033117 781704967 /nfs/dbraw/zinc/70/49/67/781704967.db2.gz KJVJRPSWEYOAHN-UHFFFAOYSA-N 1 3 265.317 -1.082 20 0 CAADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001183581255 781746574 /nfs/dbraw/zinc/74/65/74/781746574.db2.gz GXQIQOZJENIHOD-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001185408699 781784976 /nfs/dbraw/zinc/78/49/76/781784976.db2.gz WLCNZYNLKSFVBN-SECBINFHSA-N 1 3 285.348 -1.677 20 0 CAADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185401414 781785909 /nfs/dbraw/zinc/78/59/09/781785909.db2.gz PRMDQEPSROZPRR-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187114934 781814363 /nfs/dbraw/zinc/81/43/63/781814363.db2.gz CZQKDPRRSOMMBN-SNVBAGLBSA-N 1 3 272.349 -1.760 20 0 CAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187115320 781814407 /nfs/dbraw/zinc/81/44/07/781814407.db2.gz IZCOJBRELLTCTF-NEPJUHHUSA-N 1 3 298.387 -1.356 20 0 CAADHO Cn1c(C(=O)N(CCCC[NH3+])C(=N)N)cc(=O)n(C)c1=O ZINC001189437310 781857708 /nfs/dbraw/zinc/85/77/08/781857708.db2.gz OUSFFSISCIYUIB-UHFFFAOYSA-N 1 3 296.331 -1.841 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001426036850 890848020 /nfs/dbraw/zinc/84/80/20/890848020.db2.gz AMBWPYOWEMXIRX-MNOVXSKESA-N 1 3 288.392 -1.519 20 0 CAADHO CN(C)C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923612645 883996047 /nfs/dbraw/zinc/99/60/47/883996047.db2.gz RIWDXUVQURYYAA-LLVKDONJSA-N 1 3 292.405 -1.601 20 0 CAADHO C[C@H](CNC(=O)COCC[NH3+])CN1CCN(C)CC1 ZINC001326026419 884760912 /nfs/dbraw/zinc/76/09/12/884760912.db2.gz CMYIBQGFRACLSM-GFCCVEGCSA-N 1 3 272.393 -1.039 20 0 CAADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326923785 884846521 /nfs/dbraw/zinc/84/65/21/884846521.db2.gz QIRBONOEABUNTD-MNOVXSKESA-N 1 3 257.334 -1.140 20 0 CAADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001327599826 884909253 /nfs/dbraw/zinc/90/92/53/884909253.db2.gz WCSHHRPOAVDUNS-VHSXEESVSA-N 1 3 255.318 -1.449 20 0 CAADHO COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CNCCO1 ZINC001327595767 884910279 /nfs/dbraw/zinc/91/02/79/884910279.db2.gz DWIULCAIRVVSAG-QWRGUYRKSA-N 1 3 257.334 -1.188 20 0 CAADHO COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CNCCO1 ZINC001327595765 884907624 /nfs/dbraw/zinc/90/76/24/884907624.db2.gz DWIULCAIRVVSAG-GHMZBOCLSA-N 1 3 257.334 -1.188 20 0 CAADHO CC1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[NH2+]C1 ZINC001327929135 884940975 /nfs/dbraw/zinc/94/09/75/884940975.db2.gz NUVKFBUPIUPGEM-UHFFFAOYSA-N 1 3 251.290 -1.133 20 0 CAADHO CN(C)C(=O)[C@H]1CN(CCN2CC[NH2+]CC2)CCN1 ZINC001328493817 884991084 /nfs/dbraw/zinc/99/10/84/884991084.db2.gz YJKIFAWHSDTXJL-GFCCVEGCSA-N 1 3 269.393 -1.746 20 0 CAADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Cn1ccnn1 ZINC001329223834 885078546 /nfs/dbraw/zinc/07/85/46/885078546.db2.gz WLUAWJUQAOVFSZ-RYUDHWBXSA-N 1 3 269.349 -1.315 20 0 CAADHO O=S(=O)(NCCCN1CC[NH2+]CC1)C1CNC1 ZINC001332364837 885403691 /nfs/dbraw/zinc/40/36/91/885403691.db2.gz PILUBIGGNKXVDM-UHFFFAOYSA-N 1 3 262.379 -1.827 20 0 CAADHO CN(C[C@H](O)C[NH2+]CCCO)C(=O)Cc1c[nH]cn1 ZINC001332574684 885424611 /nfs/dbraw/zinc/42/46/11/885424611.db2.gz GSWIZIFVFJVNKV-LLVKDONJSA-N 1 3 270.333 -1.257 20 0 CAADHO C[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531615 885488409 /nfs/dbraw/zinc/48/84/09/885488409.db2.gz CMGZWBZMBUQCDS-LURJTMIESA-N 1 3 254.294 -1.213 20 0 CAADHO COC(=O)[C@H]1CN(CCOCC[NH3+])C[C@H]1C(=O)OC ZINC001336095794 885645366 /nfs/dbraw/zinc/64/53/66/885645366.db2.gz OJOZWCUUGPJNLZ-AOOOYVTPSA-N 1 3 274.317 -1.144 20 0 CAADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340947091 885818927 /nfs/dbraw/zinc/81/89/27/885818927.db2.gz ZWVLWTNGRKOHFU-QWRGUYRKSA-N 1 3 256.350 -1.615 20 0 CAADHO [NH3+][C@]1(CO)CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC001341116435 885826538 /nfs/dbraw/zinc/82/65/38/885826538.db2.gz PEAILAXWGGOJQU-CMPLNLGQSA-N 1 3 257.334 -1.323 20 0 CAADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1COC2(CNC2)C1 ZINC001342215735 885877109 /nfs/dbraw/zinc/87/71/09/885877109.db2.gz NQHDIVLNTXAXCI-AEJSXWLSSA-N 1 3 257.334 -1.550 20 0 CAADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC001342190929 885877348 /nfs/dbraw/zinc/87/73/48/885877348.db2.gz YBRCKPUQFHTNGU-NXEZZACHSA-N 1 3 257.334 -1.596 20 0 CAADHO O=C(NCC1C[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346504889 886009170 /nfs/dbraw/zinc/00/91/70/886009170.db2.gz LPLIFSXUUWYRHW-WDEREUQCSA-N 1 3 254.334 -1.334 20 0 CAADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC001349386980 886124428 /nfs/dbraw/zinc/12/44/28/886124428.db2.gz ZJWAXCZMLOCFLA-VIFPVBQESA-N 1 3 254.334 -1.209 20 0 CAADHO [NH3+]C/C=C\CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349837833 886155116 /nfs/dbraw/zinc/15/51/16/886155116.db2.gz DBQNFGYKQXTWGU-WQJDUCKJSA-N 1 3 254.334 -1.038 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001367595475 887406490 /nfs/dbraw/zinc/40/64/90/887406490.db2.gz RVEDEHLHDPMLSO-NSHDSACASA-N 1 3 286.376 -1.717 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368266663 887467812 /nfs/dbraw/zinc/46/78/12/887467812.db2.gz VBUUIVUXTFZIJP-CYBMUJFWSA-N 1 3 273.377 -1.127 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001369476186 887576334 /nfs/dbraw/zinc/57/63/34/887576334.db2.gz ZILOPAZLYPCVPR-OUAUKWLOSA-N 1 3 286.376 -1.779 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001369476186 887576343 /nfs/dbraw/zinc/57/63/43/887576343.db2.gz ZILOPAZLYPCVPR-OUAUKWLOSA-N 1 3 286.376 -1.779 20 0 CAADHO C[C@@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424385 888707058 /nfs/dbraw/zinc/70/70/58/888707058.db2.gz NRGWWDDPNPKJCX-ZJUUUORDSA-N 1 3 284.360 -1.977 20 0 CAADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580007 888795288 /nfs/dbraw/zinc/79/52/88/888795288.db2.gz AJVXPCHZLHIXAU-GHMZBOCLSA-N 1 3 286.376 -1.371 20 0 CAADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001394517092 888835431 /nfs/dbraw/zinc/83/54/31/888835431.db2.gz GXRJOXJXWVUOFD-VIFPVBQESA-N 1 3 287.364 -1.431 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403874967 889378789 /nfs/dbraw/zinc/37/87/89/889378789.db2.gz HZPVVWMWSHOBCJ-NXEZZACHSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403874967 889378799 /nfs/dbraw/zinc/37/87/99/889378799.db2.gz HZPVVWMWSHOBCJ-NXEZZACHSA-N 1 3 272.349 -2.168 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406270094 889501615 /nfs/dbraw/zinc/50/16/15/889501615.db2.gz AKSJYSMTIRVLAC-SECBINFHSA-N 1 3 270.333 -2.366 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001127643745 884058216 /nfs/dbraw/zinc/05/82/16/884058216.db2.gz JTYGNDAFIPWZDC-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001127643745 884058229 /nfs/dbraw/zinc/05/82/29/884058229.db2.gz JTYGNDAFIPWZDC-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127638828 884058273 /nfs/dbraw/zinc/05/82/73/884058273.db2.gz RNWRSETVWCWFQQ-IVZWLZJFSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127638828 884058290 /nfs/dbraw/zinc/05/82/90/884058290.db2.gz RNWRSETVWCWFQQ-IVZWLZJFSA-N 1 3 256.350 -1.094 20 0 CAADHO C[NH+](C)C[C@]1(O)CCN(c2nc(N)nc(N)n2)C1 ZINC001307189395 884119252 /nfs/dbraw/zinc/11/92/52/884119252.db2.gz FMDXQIAIQCDNGP-SNVBAGLBSA-N 1 3 253.310 -1.461 20 0 CAADHO CN(CCNCC(=O)NC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317654089 884230647 /nfs/dbraw/zinc/23/06/47/884230647.db2.gz IATUFJBUEPPTPC-JTQLQIEISA-N 1 3 299.375 -1.429 20 0 CAADHO CN(CCNCC(=O)NC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317654089 884230659 /nfs/dbraw/zinc/23/06/59/884230659.db2.gz IATUFJBUEPPTPC-JTQLQIEISA-N 1 3 299.375 -1.429 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662115 884235877 /nfs/dbraw/zinc/23/58/77/884235877.db2.gz UPJBOPVNNBYMII-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662115 884235890 /nfs/dbraw/zinc/23/58/90/884235890.db2.gz UPJBOPVNNBYMII-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662114 884236621 /nfs/dbraw/zinc/23/66/21/884236621.db2.gz UPJBOPVNNBYMII-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662114 884236634 /nfs/dbraw/zinc/23/66/34/884236634.db2.gz UPJBOPVNNBYMII-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662117 884237449 /nfs/dbraw/zinc/23/74/49/884237449.db2.gz UPJBOPVNNBYMII-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662117 884237471 /nfs/dbraw/zinc/23/74/71/884237471.db2.gz UPJBOPVNNBYMII-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO CCN(CCNCC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320920173 884455902 /nfs/dbraw/zinc/45/59/02/884455902.db2.gz BLXLUNRHNVQOKG-JTQLQIEISA-N 1 3 256.350 -1.139 20 0 CAADHO CCN(CCNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320920173 884455911 /nfs/dbraw/zinc/45/59/11/884455911.db2.gz BLXLUNRHNVQOKG-JTQLQIEISA-N 1 3 256.350 -1.139 20 0 CAADHO O=C(COC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC001327615579 884912812 /nfs/dbraw/zinc/91/28/12/884912812.db2.gz FWUXRTWAOCZCEN-UHFFFAOYSA-N 1 3 269.345 -1.044 20 0 CAADHO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1CCN(C)CC1 ZINC001327751846 884924352 /nfs/dbraw/zinc/92/43/52/884924352.db2.gz MDQPNOMHJVZGPN-AWEZNQCLSA-N 1 3 297.447 -1.014 20 0 CAADHO COC1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]CC1 ZINC001328479624 884991501 /nfs/dbraw/zinc/99/15/01/884991501.db2.gz YQWUGLAIRJUUKK-UHFFFAOYSA-N 1 3 269.345 -1.044 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC001329056912 885054879 /nfs/dbraw/zinc/05/48/79/885054879.db2.gz YSINIWLYSQBBSA-SSDOTTSWSA-N 1 3 266.305 -1.198 20 0 CAADHO Nc1nc(N)nc(N2CCC([NH2+]CCO)CC2)n1 ZINC001329175503 885075331 /nfs/dbraw/zinc/07/53/31/885075331.db2.gz VEXVMRQBXUUQNC-UHFFFAOYSA-N 1 3 253.310 -1.413 20 0 CAADHO Cn1cc(CNCCOCCC[NH3+])c(=O)n(C)c1=O ZINC001329590026 885120461 /nfs/dbraw/zinc/12/04/61/885120461.db2.gz RPQXTBAYDYKKRK-UHFFFAOYSA-N 1 3 270.333 -1.461 20 0 CAADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001330859137 885233313 /nfs/dbraw/zinc/23/33/13/885233313.db2.gz BLTUTGXUXJULPP-TUAOUCFPSA-N 1 3 298.387 -1.181 20 0 CAADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001330859134 885235392 /nfs/dbraw/zinc/23/53/92/885235392.db2.gz BLTUTGXUXJULPP-SDDRHHMPSA-N 1 3 298.387 -1.181 20 0 CAADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001330859132 885235470 /nfs/dbraw/zinc/23/54/70/885235470.db2.gz BLTUTGXUXJULPP-QJPTWQEYSA-N 1 3 298.387 -1.181 20 0 CAADHO C[NH2+]CCOCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001331729975 885329132 /nfs/dbraw/zinc/32/91/32/885329132.db2.gz HCNWWRHWVBZJSO-UHFFFAOYSA-N 1 3 298.347 -1.324 20 0 CAADHO CO[C@@H](CN)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001331969934 885369923 /nfs/dbraw/zinc/36/99/23/885369923.db2.gz SIDYEIYTQHWMKP-MNOVXSKESA-N 1 3 256.350 -1.534 20 0 CAADHO O=C(COC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC001332279309 885398272 /nfs/dbraw/zinc/39/82/72/885398272.db2.gz MLACAWMDCLDFDF-LLVKDONJSA-N 1 3 257.334 -1.140 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332338618 885401125 /nfs/dbraw/zinc/40/11/25/885401125.db2.gz CPAOFKDHXBYCES-MGCOHNPYSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566305 885421002 /nfs/dbraw/zinc/42/10/02/885421002.db2.gz NROVOGVCMYEKNN-RYUDHWBXSA-N 1 3 273.377 -1.271 20 0 CAADHO C[C@H](NC(=O)CN1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001332753995 885435557 /nfs/dbraw/zinc/43/55/57/885435557.db2.gz AMKIKFNXTSPTQP-UONOGXRCSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](NC(=O)CN1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001332753995 885435559 /nfs/dbraw/zinc/43/55/59/885435559.db2.gz AMKIKFNXTSPTQP-UONOGXRCSA-N 1 3 297.447 -1.016 20 0 CAADHO C[NH2+][C@@H](C)CCNS(=O)(=O)N1CCNCC1 ZINC001332814648 885439738 /nfs/dbraw/zinc/43/97/38/885439738.db2.gz AVMAMLKOGAISGU-VIFPVBQESA-N 1 3 250.368 -1.276 20 0 CAADHO COCC[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001333177074 885461029 /nfs/dbraw/zinc/46/10/29/885461029.db2.gz BAVIRBJVWHDKJO-NSHDSACASA-N 1 3 258.366 -1.286 20 0 CAADHO CN1CC[C@](O)(C[NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001336000070 885643181 /nfs/dbraw/zinc/64/31/81/885643181.db2.gz JKBQWWPTJQVGDP-KBPBESRZSA-N 1 3 286.420 -1.749 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC001336163281 885649931 /nfs/dbraw/zinc/64/99/31/885649931.db2.gz MWRJGZMNNDYDNQ-CKYFFXLPSA-N 1 3 256.350 -1.040 20 0 CAADHO CCN1CCN(CCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001336976538 885692071 /nfs/dbraw/zinc/69/20/71/885692071.db2.gz AYCPHQLSEIGNMW-NSHDSACASA-N 1 3 258.366 -1.286 20 0 CAADHO [NH3+][C@H]1C[C@@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001337838362 885726011 /nfs/dbraw/zinc/72/60/11/885726011.db2.gz OGAGWBDYPWVZPB-AEJSXWLSSA-N 1 3 260.363 -1.442 20 0 CAADHO CN1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114767 885790350 /nfs/dbraw/zinc/79/03/50/885790350.db2.gz WSUZEFYPAFHHDY-TZMCWYRMSA-N 1 3 284.404 -1.147 20 0 CAADHO CN1CCN(CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114763 885792066 /nfs/dbraw/zinc/79/20/66/885792066.db2.gz WSUZEFYPAFHHDY-GXTWGEPZSA-N 1 3 284.404 -1.147 20 0 CAADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001340148027 885795637 /nfs/dbraw/zinc/79/56/37/885795637.db2.gz KZISYJXXSMIIIH-KXUCPTDWSA-N 1 3 255.318 -1.055 20 0 CAADHO [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001341098398 885827246 /nfs/dbraw/zinc/82/72/46/885827246.db2.gz SWAFKGNWJZHJIF-MNOVXSKESA-N 1 3 284.360 -1.712 20 0 CAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNCC[NH3+] ZINC001341683716 885855163 /nfs/dbraw/zinc/85/51/63/885855163.db2.gz IPKUYNCYIMNYBR-GFCCVEGCSA-N 1 3 299.419 -1.406 20 0 CAADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001342215738 885877010 /nfs/dbraw/zinc/87/70/10/885877010.db2.gz NQHDIVLNTXAXCI-UTLUCORTSA-N 1 3 257.334 -1.550 20 0 CAADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357285 885884387 /nfs/dbraw/zinc/88/43/87/885884387.db2.gz LQEKWIBDYNJPLX-UTUOFQBUSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357285 885884400 /nfs/dbraw/zinc/88/44/00/885884400.db2.gz LQEKWIBDYNJPLX-UTUOFQBUSA-N 1 3 268.361 -1.833 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001342416775 885887702 /nfs/dbraw/zinc/88/77/02/885887702.db2.gz QYHGMZRHCIIDRX-KKZNHRDASA-N 1 3 256.350 -1.190 20 0 CAADHO COCCNCC(=O)NCCN1CCC([NH3+])CC1 ZINC001342476269 885890247 /nfs/dbraw/zinc/89/02/47/885890247.db2.gz LQUDSXRSCDZVMP-UHFFFAOYSA-N 1 3 258.366 -1.238 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001342865705 885900551 /nfs/dbraw/zinc/90/05/51/885900551.db2.gz KEALDBWLLOOWSD-ONGXEEELSA-N 1 3 268.361 -1.046 20 0 CAADHO CO[C@@H](CN)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343373657 885912758 /nfs/dbraw/zinc/91/27/58/885912758.db2.gz MVXBPHVNAOOXAA-NSHDSACASA-N 1 3 257.334 -1.061 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343506468 885918692 /nfs/dbraw/zinc/91/86/92/885918692.db2.gz FHBCQNUUOHGPSP-CHWSQXEVSA-N 1 3 281.404 -1.604 20 0 CAADHO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001347074861 886027423 /nfs/dbraw/zinc/02/74/23/886027423.db2.gz YIGVSVDKIPHCKE-ZYHUDNBSSA-N 1 3 298.387 -1.181 20 0 CAADHO CCN1CCN(CCNC(=O)COCC[NH3+])CC1 ZINC001349132217 886115777 /nfs/dbraw/zinc/11/57/77/886115777.db2.gz WPVJLRVVMMZHMU-UHFFFAOYSA-N 1 3 258.366 -1.285 20 0 CAADHO Cn1ncc(CN)c1C(=O)NCCCN1CC[NH2+]CC1 ZINC001349584890 886137503 /nfs/dbraw/zinc/13/75/03/886137503.db2.gz HGCPCYGFIREENG-UHFFFAOYSA-N 1 3 280.376 -1.096 20 0 CAADHO COCCN(C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526855 886280162 /nfs/dbraw/zinc/28/01/62/886280162.db2.gz PPWSLUIDXGLMMQ-JQWIXIFHSA-N 1 3 259.350 -1.206 20 0 CAADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)C(C)(C)O ZINC001356498516 886370209 /nfs/dbraw/zinc/37/02/09/886370209.db2.gz GSWCKEUQEVQSPR-SNVBAGLBSA-N 1 3 258.366 -1.552 20 0 CAADHO COCCN(C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001357391956 886403587 /nfs/dbraw/zinc/40/35/87/886403587.db2.gz PJPQPUIDZQUSDR-UHFFFAOYSA-N 1 3 259.350 -1.219 20 0 CAADHO [NH3+]CCCn1ccc(C(=O)NC[C@@H]2CNCCO2)n1 ZINC001357618459 886412817 /nfs/dbraw/zinc/41/28/17/886412817.db2.gz HEEMXVHKMBGESV-JTQLQIEISA-N 1 3 267.333 -1.050 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367587116 887402566 /nfs/dbraw/zinc/40/25/66/887402566.db2.gz KAPDKTLCFRQUAR-JQWIXIFHSA-N 1 3 288.392 -1.615 20 0 CAADHO C[C@H](NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611359 887409388 /nfs/dbraw/zinc/40/93/88/887409388.db2.gz WHOHARAMUMSQCG-QWRGUYRKSA-N 1 3 298.387 -1.445 20 0 CAADHO CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624526 887412481 /nfs/dbraw/zinc/41/24/81/887412481.db2.gz RALVKZXKMNRRRU-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624521 887413401 /nfs/dbraw/zinc/41/34/01/887413401.db2.gz RALVKZXKMNRRRU-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632066 887414977 /nfs/dbraw/zinc/41/49/77/887414977.db2.gz SLSRORGDKBBIEN-QWRGUYRKSA-N 1 3 286.376 -1.718 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632067 887416724 /nfs/dbraw/zinc/41/67/24/887416724.db2.gz SLSRORGDKBBIEN-WDEREUQCSA-N 1 3 286.376 -1.718 20 0 CAADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369390260 887564017 /nfs/dbraw/zinc/56/40/17/887564017.db2.gz ZZGLRBFEDNXCLR-RYUDHWBXSA-N 1 3 291.367 -1.009 20 0 CAADHO C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391540 887565746 /nfs/dbraw/zinc/56/57/46/887565746.db2.gz MHDAHTRXHQBWMV-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369390247 887565830 /nfs/dbraw/zinc/56/58/30/887565830.db2.gz ZZGLRBFEDNXCLR-NEPJUHHUSA-N 1 3 291.367 -1.009 20 0 CAADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001370403038 887605928 /nfs/dbraw/zinc/60/59/28/887605928.db2.gz GXQIQOZJENIHOD-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001370408914 887607892 /nfs/dbraw/zinc/60/78/92/887607892.db2.gz PNROHNFLBDHSQH-ZJUUUORDSA-N 1 3 297.359 -1.677 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001370408914 887607898 /nfs/dbraw/zinc/60/78/98/887607898.db2.gz PNROHNFLBDHSQH-ZJUUUORDSA-N 1 3 297.359 -1.677 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001371186266 887651833 /nfs/dbraw/zinc/65/18/33/887651833.db2.gz JVGSVKRHZMKRCO-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001371186266 887651840 /nfs/dbraw/zinc/65/18/40/887651840.db2.gz JVGSVKRHZMKRCO-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374323463 887785680 /nfs/dbraw/zinc/78/56/80/887785680.db2.gz BREGLWZDMVQJBL-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374323463 887785691 /nfs/dbraw/zinc/78/56/91/887785691.db2.gz BREGLWZDMVQJBL-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001374619554 887817635 /nfs/dbraw/zinc/81/76/35/887817635.db2.gz YIUGYUZIQYNCDU-WDEREUQCSA-N 1 3 273.377 -1.082 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001374641715 887821045 /nfs/dbraw/zinc/82/10/45/887821045.db2.gz KOUOLXZDRJPSGA-QMMMGPOBSA-N 1 3 289.336 -2.800 20 0 CAADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001374638587 887821391 /nfs/dbraw/zinc/82/13/91/887821391.db2.gz ALKYNLCOUXEBQA-GFCCVEGCSA-N 1 3 283.376 -1.062 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001374650601 887823014 /nfs/dbraw/zinc/82/30/14/887823014.db2.gz FIDJMJJOWJAQFG-QWRGUYRKSA-N 1 3 286.376 -1.859 20 0 CAADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649835 887823294 /nfs/dbraw/zinc/82/32/94/887823294.db2.gz DCJCDQPLTWHUOB-JTQLQIEISA-N 1 3 288.392 -1.484 20 0 CAADHO CN(CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649840 887824262 /nfs/dbraw/zinc/82/42/62/887824262.db2.gz DCJCDQPLTWHUOB-SNVBAGLBSA-N 1 3 288.392 -1.484 20 0 CAADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001374652121 887824468 /nfs/dbraw/zinc/82/44/68/887824468.db2.gz IDRPKWVKHYNKNR-QWRGUYRKSA-N 1 3 288.392 -1.519 20 0 CAADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001374960595 887855406 /nfs/dbraw/zinc/85/54/06/887855406.db2.gz BWHRBGMWABZVCI-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001376245190 887918543 /nfs/dbraw/zinc/91/85/43/887918543.db2.gz RPLRKVIRRSAJDG-SNVBAGLBSA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001376843417 887962718 /nfs/dbraw/zinc/96/27/18/887962718.db2.gz MPGQCFQHYSFQOS-RYUDHWBXSA-N 1 3 298.387 -1.356 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001376843414 887962968 /nfs/dbraw/zinc/96/29/68/887962968.db2.gz MPGQCFQHYSFQOS-NWDGAFQWSA-N 1 3 298.387 -1.356 20 0 CAADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377259921 887988110 /nfs/dbraw/zinc/98/81/10/887988110.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 1 3 273.377 -1.007 20 0 CAADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377259921 887988113 /nfs/dbraw/zinc/98/81/13/887988113.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 1 3 273.377 -1.007 20 0 CAADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001377599022 888005428 /nfs/dbraw/zinc/00/54/28/888005428.db2.gz PEQSUIPFNPFBJA-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001379239961 888111285 /nfs/dbraw/zinc/11/12/85/888111285.db2.gz PUEMCVYMUKEPPW-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001379288995 888119023 /nfs/dbraw/zinc/11/90/23/888119023.db2.gz NOKPRJIZFBJPAX-NEPJUHHUSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001379288995 888119031 /nfs/dbraw/zinc/11/90/31/888119031.db2.gz NOKPRJIZFBJPAX-NEPJUHHUSA-N 1 3 298.387 -1.763 20 0 CAADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379293603 888122631 /nfs/dbraw/zinc/12/26/31/888122631.db2.gz XEJSCHPHKBVTSO-AAEUAGOBSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379293603 888122638 /nfs/dbraw/zinc/12/26/38/888122638.db2.gz XEJSCHPHKBVTSO-AAEUAGOBSA-N 1 3 295.387 -1.062 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001379416636 888140747 /nfs/dbraw/zinc/14/07/47/888140747.db2.gz LNHMGCZUZQUMIT-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001379412903 888140753 /nfs/dbraw/zinc/14/07/53/888140753.db2.gz QOQCKIOKILLPBZ-WDEREUQCSA-N 1 3 273.377 -1.082 20 0 CAADHO CCCN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413657 888140915 /nfs/dbraw/zinc/14/09/15/888140915.db2.gz QDTSDCWWNHZJSF-NEPJUHHUSA-N 1 3 273.377 -1.080 20 0 CAADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001379412898 888141079 /nfs/dbraw/zinc/14/10/79/888141079.db2.gz QOQCKIOKILLPBZ-QWRGUYRKSA-N 1 3 273.377 -1.082 20 0 CAADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCO)N1CCCC1 ZINC001379460214 888146261 /nfs/dbraw/zinc/14/62/61/888146261.db2.gz FNTRFLFEBAKPGX-NSHDSACASA-N 1 3 273.377 -1.080 20 0 CAADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001380915065 888236540 /nfs/dbraw/zinc/23/65/40/888236540.db2.gz LOGJFDQTSXEQGX-NSHDSACASA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCn2cncn2)C1 ZINC001382274197 888324823 /nfs/dbraw/zinc/32/48/23/888324823.db2.gz NZCDIMVKETWADV-NEPJUHHUSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCn2cncn2)C1 ZINC001382274197 888324834 /nfs/dbraw/zinc/32/48/34/888324834.db2.gz NZCDIMVKETWADV-NEPJUHHUSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCn2cncn2)C1 ZINC001382274200 888325713 /nfs/dbraw/zinc/32/57/13/888325713.db2.gz NZCDIMVKETWADV-NWDGAFQWSA-N 1 3 296.375 -1.704 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCn2cncn2)C1 ZINC001382274200 888325727 /nfs/dbraw/zinc/32/57/27/888325727.db2.gz NZCDIMVKETWADV-NWDGAFQWSA-N 1 3 296.375 -1.704 20 0 CAADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501185 888584906 /nfs/dbraw/zinc/58/49/06/888584906.db2.gz ALGNNFIYIJCEFX-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501185 888584916 /nfs/dbraw/zinc/58/49/16/888584916.db2.gz ALGNNFIYIJCEFX-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501187 888585540 /nfs/dbraw/zinc/58/55/40/888585540.db2.gz ALGNNFIYIJCEFX-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501187 888585557 /nfs/dbraw/zinc/58/55/57/888585557.db2.gz ALGNNFIYIJCEFX-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501190 888586716 /nfs/dbraw/zinc/58/67/16/888586716.db2.gz ALGNNFIYIJCEFX-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001390501190 888586723 /nfs/dbraw/zinc/58/67/23/888586723.db2.gz ALGNNFIYIJCEFX-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746979 888643070 /nfs/dbraw/zinc/64/30/70/888643070.db2.gz DHAHAEXXZZVOOQ-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746979 888643072 /nfs/dbraw/zinc/64/30/72/888643072.db2.gz DHAHAEXXZZVOOQ-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746977 888644407 /nfs/dbraw/zinc/64/44/07/888644407.db2.gz DHAHAEXXZZVOOQ-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746977 888644418 /nfs/dbraw/zinc/64/44/18/888644418.db2.gz DHAHAEXXZZVOOQ-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001392092199 888665937 /nfs/dbraw/zinc/66/59/37/888665937.db2.gz QGKIWLAWQNJFDZ-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371962 888687421 /nfs/dbraw/zinc/68/74/21/888687421.db2.gz GHQRXLLWVDQYSG-JTQLQIEISA-N 1 3 272.349 -1.977 20 0 CAADHO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001392377473 888690375 /nfs/dbraw/zinc/69/03/75/888690375.db2.gz SGXBUDRRCHWDJS-VHSXEESVSA-N 1 3 286.376 -1.589 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392392318 888692808 /nfs/dbraw/zinc/69/28/08/888692808.db2.gz KAPDKTLCFRQUAR-ZYHUDNBSSA-N 1 3 288.392 -1.615 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001392425629 888705806 /nfs/dbraw/zinc/70/58/06/888705806.db2.gz YPJNIXRKQYWTQY-WPRPVWTQSA-N 1 3 270.333 -1.292 20 0 CAADHO O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422400 888708423 /nfs/dbraw/zinc/70/84/23/888708423.db2.gz KHTHKQPNBJLYBZ-QWRGUYRKSA-N 1 3 296.371 -1.963 20 0 CAADHO C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484817 888791074 /nfs/dbraw/zinc/79/10/74/888791074.db2.gz WMDYAIFIQDCIRW-GHMZBOCLSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484817 888791086 /nfs/dbraw/zinc/79/10/86/888791086.db2.gz WMDYAIFIQDCIRW-GHMZBOCLSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484829 888791488 /nfs/dbraw/zinc/79/14/88/888791488.db2.gz WMDYAIFIQDCIRW-WDEREUQCSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484829 888791501 /nfs/dbraw/zinc/79/15/01/888791501.db2.gz WMDYAIFIQDCIRW-WDEREUQCSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484825 888792281 /nfs/dbraw/zinc/79/22/81/888792281.db2.gz WMDYAIFIQDCIRW-QWRGUYRKSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484825 888792288 /nfs/dbraw/zinc/79/22/88/888792288.db2.gz WMDYAIFIQDCIRW-QWRGUYRKSA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484821 888792432 /nfs/dbraw/zinc/79/24/32/888792432.db2.gz WMDYAIFIQDCIRW-MNOVXSKESA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484821 888792441 /nfs/dbraw/zinc/79/24/41/888792441.db2.gz WMDYAIFIQDCIRW-MNOVXSKESA-N 1 3 286.376 -1.778 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001393587803 888794615 /nfs/dbraw/zinc/79/46/15/888794615.db2.gz TUNPTFGXJSDEKK-GHMZBOCLSA-N 1 3 284.360 -1.760 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001393587803 888794625 /nfs/dbraw/zinc/79/46/25/888794625.db2.gz TUNPTFGXJSDEKK-GHMZBOCLSA-N 1 3 284.360 -1.760 20 0 CAADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580021 888795146 /nfs/dbraw/zinc/79/51/46/888795146.db2.gz AJVXPCHZLHIXAU-WDEREUQCSA-N 1 3 286.376 -1.371 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001393778595 888805066 /nfs/dbraw/zinc/80/50/66/888805066.db2.gz VNGXZWMOZXNWLB-NSHDSACASA-N 1 3 298.387 -1.634 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001393778595 888805079 /nfs/dbraw/zinc/80/50/79/888805079.db2.gz VNGXZWMOZXNWLB-NSHDSACASA-N 1 3 298.387 -1.634 20 0 CAADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC(N)=O ZINC001394510285 888833390 /nfs/dbraw/zinc/83/33/90/888833390.db2.gz YWDLYZPRYDULAO-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001394517090 888836243 /nfs/dbraw/zinc/83/62/43/888836243.db2.gz GXRJOXJXWVUOFD-SECBINFHSA-N 1 3 287.364 -1.431 20 0 CAADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001394737500 888886675 /nfs/dbraw/zinc/88/66/75/888886675.db2.gz FTXWURKKEAGHFS-SNVBAGLBSA-N 1 3 286.376 -1.635 20 0 CAADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)[NH+](C)C ZINC001394762964 888892506 /nfs/dbraw/zinc/89/25/06/888892506.db2.gz YANWZBHVCCYSIU-CMPLNLGQSA-N 1 3 288.392 -1.533 20 0 CAADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+](C)C ZINC001394762969 888893736 /nfs/dbraw/zinc/89/37/36/888893736.db2.gz YANWZBHVCCYSIU-ZYHUDNBSSA-N 1 3 288.392 -1.533 20 0 CAADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762702 888894185 /nfs/dbraw/zinc/89/41/85/888894185.db2.gz QJLJXKIEZITAFU-NXEZZACHSA-N 1 3 274.365 -1.779 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001401518574 889149028 /nfs/dbraw/zinc/14/90/28/889149028.db2.gz YDKZTBFITRWRJR-KXUCPTDWSA-N 1 3 272.349 -2.121 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001401518574 889149034 /nfs/dbraw/zinc/14/90/34/889149034.db2.gz YDKZTBFITRWRJR-KXUCPTDWSA-N 1 3 272.349 -2.121 20 0 CAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001401545996 889153501 /nfs/dbraw/zinc/15/35/01/889153501.db2.gz HEAVEFULSCRSPK-SECBINFHSA-N 1 3 272.349 -1.977 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401568168 889160410 /nfs/dbraw/zinc/16/04/10/889160410.db2.gz ZXJQEEJCAONSLZ-UWVGGRQHSA-N 1 3 272.349 -2.107 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401568165 889162207 /nfs/dbraw/zinc/16/22/07/889162207.db2.gz ZXJQEEJCAONSLZ-NXEZZACHSA-N 1 3 272.349 -2.107 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401574944 889163969 /nfs/dbraw/zinc/16/39/69/889163969.db2.gz FCBVZDSIZNFPPH-MNOVXSKESA-N 1 3 286.376 -1.907 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401574944 889163976 /nfs/dbraw/zinc/16/39/76/889163976.db2.gz FCBVZDSIZNFPPH-MNOVXSKESA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001401580988 889164553 /nfs/dbraw/zinc/16/45/53/889164553.db2.gz WRWFAKSMSXKNGO-JTQLQIEISA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001401581015 889164570 /nfs/dbraw/zinc/16/45/70/889164570.db2.gz WRWFAKSMSXKNGO-SNVBAGLBSA-N 1 3 286.376 -1.859 20 0 CAADHO C[C@@H](CNCC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001401709836 889179047 /nfs/dbraw/zinc/17/90/47/889179047.db2.gz JKLOPQBKVDJAKF-JTQLQIEISA-N 1 3 286.376 -1.323 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401717798 889179235 /nfs/dbraw/zinc/17/92/35/889179235.db2.gz NQYZNKOTLWIIGP-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401717798 889179240 /nfs/dbraw/zinc/17/92/40/889179240.db2.gz NQYZNKOTLWIIGP-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401717802 889180145 /nfs/dbraw/zinc/18/01/45/889180145.db2.gz NQYZNKOTLWIIGP-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401717802 889180155 /nfs/dbraw/zinc/18/01/55/889180155.db2.gz NQYZNKOTLWIIGP-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001402585751 889248360 /nfs/dbraw/zinc/24/83/60/889248360.db2.gz HFHRRBWEDDBJJO-KXUCPTDWSA-N 1 3 299.375 -1.242 20 0 CAADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402613312 889252218 /nfs/dbraw/zinc/25/22/18/889252218.db2.gz YQECTQONWUXGQW-NSHDSACASA-N 1 3 286.376 -1.499 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403848317 889375031 /nfs/dbraw/zinc/37/50/31/889375031.db2.gz VUFCURHKVQVXRF-NWDGAFQWSA-N 1 3 298.387 -1.778 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403874970 889378389 /nfs/dbraw/zinc/37/83/89/889378389.db2.gz HZPVVWMWSHOBCJ-UWVGGRQHSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403874970 889378405 /nfs/dbraw/zinc/37/84/05/889378405.db2.gz HZPVVWMWSHOBCJ-UWVGGRQHSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403874971 889380745 /nfs/dbraw/zinc/38/07/45/889380745.db2.gz HZPVVWMWSHOBCJ-VHSXEESVSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403874971 889380752 /nfs/dbraw/zinc/38/07/52/889380752.db2.gz HZPVVWMWSHOBCJ-VHSXEESVSA-N 1 3 272.349 -2.168 20 0 CAADHO CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246351 889495682 /nfs/dbraw/zinc/49/56/82/889495682.db2.gz PHIFGPXYBKQLRD-NEPJUHHUSA-N 1 3 298.387 -1.574 20 0 CAADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001406254279 889498721 /nfs/dbraw/zinc/49/87/21/889498721.db2.gz XEWHXHOODCZQJF-WDEREUQCSA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001406254279 889498714 /nfs/dbraw/zinc/49/87/14/889498714.db2.gz XEWHXHOODCZQJF-WDEREUQCSA-N 1 3 286.376 -1.587 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001406261902 889502317 /nfs/dbraw/zinc/50/23/17/889502317.db2.gz AOKLFSZXRXSMBF-VIFPVBQESA-N 1 3 272.349 -2.120 20 0 CAADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001406275500 889505524 /nfs/dbraw/zinc/50/55/24/889505524.db2.gz CGDVUQVGHCGSCZ-CHWSQXEVSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001406275500 889505527 /nfs/dbraw/zinc/50/55/27/889505527.db2.gz CGDVUQVGHCGSCZ-CHWSQXEVSA-N 1 3 295.387 -1.062 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001406522203 889526055 /nfs/dbraw/zinc/52/60/55/889526055.db2.gz QLSJZVADDLOVDA-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC(N)=O ZINC001410356234 889675457 /nfs/dbraw/zinc/67/54/57/889675457.db2.gz YWDLYZPRYDULAO-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001411067468 889729381 /nfs/dbraw/zinc/72/93/81/889729381.db2.gz BLUDDHKCZRPYSU-NSHDSACASA-N 1 3 298.391 -1.026 20 0 CAADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001411067457 889729801 /nfs/dbraw/zinc/72/98/01/889729801.db2.gz BLUDDHKCZRPYSU-LLVKDONJSA-N 1 3 298.391 -1.026 20 0 CAADHO CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069150 889730872 /nfs/dbraw/zinc/73/08/72/889730872.db2.gz CNEFBBGIAHWSCG-QWRGUYRKSA-N 1 3 286.376 -1.765 20 0 CAADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001411090366 889732060 /nfs/dbraw/zinc/73/20/60/889732060.db2.gz CLOYDGZMEVJMGC-GXSJLCMTSA-N 1 3 270.333 -1.258 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001411090379 889732562 /nfs/dbraw/zinc/73/25/62/889732562.db2.gz CLOYDGZMEVJMGC-KOLCDFICSA-N 1 3 270.333 -1.258 20 0 CAADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001411090421 889734284 /nfs/dbraw/zinc/73/42/84/889734284.db2.gz CLOYDGZMEVJMGC-ONGXEEELSA-N 1 3 270.333 -1.258 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411154018 889737913 /nfs/dbraw/zinc/73/79/13/889737913.db2.gz YYGOZHNKNCEDFZ-MNOVXSKESA-N 1 3 286.376 -1.907 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411154018 889737925 /nfs/dbraw/zinc/73/79/25/889737925.db2.gz YYGOZHNKNCEDFZ-MNOVXSKESA-N 1 3 286.376 -1.907 20 0 CAADHO COCCN(CC[NH+](C)C)C(=O)Cn1nnc(N)n1 ZINC001417639880 890150336 /nfs/dbraw/zinc/15/03/36/890150336.db2.gz SACMCOQEKGCLNF-UHFFFAOYSA-N 1 3 271.325 -1.708 20 0 CAADHO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417641715 890150415 /nfs/dbraw/zinc/15/04/15/890150415.db2.gz IACIYHXJCXPCRA-JTQLQIEISA-N 1 3 295.343 -1.689 20 0 CAADHO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417641715 890150420 /nfs/dbraw/zinc/15/04/20/890150420.db2.gz IACIYHXJCXPCRA-JTQLQIEISA-N 1 3 295.343 -1.689 20 0 CAADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001417641694 890150640 /nfs/dbraw/zinc/15/06/40/890150640.db2.gz HJDFZXIMWALKGZ-SECBINFHSA-N 1 3 295.347 -2.261 20 0 CAADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001417641694 890150648 /nfs/dbraw/zinc/15/06/48/890150648.db2.gz HJDFZXIMWALKGZ-SECBINFHSA-N 1 3 295.347 -2.261 20 0 CAADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036548 890185792 /nfs/dbraw/zinc/18/57/92/890185792.db2.gz BPOCMKSBEHDOME-VHSXEESVSA-N 1 3 297.359 -1.534 20 0 CAADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036544 890185922 /nfs/dbraw/zinc/18/59/22/890185922.db2.gz BPOCMKSBEHDOME-UWVGGRQHSA-N 1 3 297.359 -1.534 20 0 CAADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320656 890210572 /nfs/dbraw/zinc/21/05/72/890210572.db2.gz VJVOPVLUMFDYNY-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320656 890210588 /nfs/dbraw/zinc/21/05/88/890210588.db2.gz VJVOPVLUMFDYNY-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419919120 890362221 /nfs/dbraw/zinc/36/22/21/890362221.db2.gz IASJNSQRZXTOIN-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419919120 890362237 /nfs/dbraw/zinc/36/22/37/890362237.db2.gz IASJNSQRZXTOIN-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933016 890367193 /nfs/dbraw/zinc/36/71/93/890367193.db2.gz HXIMDFZIGKJPJD-SECBINFHSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001419968886 890370308 /nfs/dbraw/zinc/37/03/08/890370308.db2.gz PRMDQEPSROZPRR-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001420137736 890398796 /nfs/dbraw/zinc/39/87/96/890398796.db2.gz KIKFPYSQWJXBAF-KOLCDFICSA-N 1 3 286.376 -1.589 20 0 CAADHO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001420137737 890398928 /nfs/dbraw/zinc/39/89/28/890398928.db2.gz KIKFPYSQWJXBAF-MWLCHTKSSA-N 1 3 286.376 -1.589 20 0 CAADHO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1)C(N)=O ZINC001420137738 890399318 /nfs/dbraw/zinc/39/93/18/890399318.db2.gz KIKFPYSQWJXBAF-ONGXEEELSA-N 1 3 286.376 -1.589 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195983 890411706 /nfs/dbraw/zinc/41/17/06/890411706.db2.gz ZGKBOFHEWQKFGY-ZYHUDNBSSA-N 1 3 298.387 -1.717 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195983 890411710 /nfs/dbraw/zinc/41/17/10/890411710.db2.gz ZGKBOFHEWQKFGY-ZYHUDNBSSA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001420215378 890417937 /nfs/dbraw/zinc/41/79/37/890417937.db2.gz ORISDOCPVLNYJF-MNOVXSKESA-N 1 3 288.392 -1.472 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001420461315 890444347 /nfs/dbraw/zinc/44/43/47/890444347.db2.gz CBEOKUGSLGSLHN-QMMMGPOBSA-N 1 3 273.337 -1.773 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001421983710 890545839 /nfs/dbraw/zinc/54/58/39/890545839.db2.gz BYNROMOPXHMHKM-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+](C)CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001422192126 890555816 /nfs/dbraw/zinc/55/58/16/890555816.db2.gz AXGISFZMEQHQNQ-UHFFFAOYSA-N 1 3 273.377 -1.127 20 0 CAADHO Cn1cncc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001422348961 890581228 /nfs/dbraw/zinc/58/12/28/890581228.db2.gz PXELQVTYRGJZLJ-GFCCVEGCSA-N 1 3 283.376 -1.062 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422393786 890587189 /nfs/dbraw/zinc/58/71/89/890587189.db2.gz DUXRSCCPORZYRU-NSHDSACASA-N 1 3 298.387 -1.763 20 0 CAADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422399347 890588740 /nfs/dbraw/zinc/58/87/40/890588740.db2.gz AXPPWZMVLYLVCP-YPMHNXCESA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422399347 890588742 /nfs/dbraw/zinc/58/87/42/890588742.db2.gz AXPPWZMVLYLVCP-YPMHNXCESA-N 1 3 295.387 -1.062 20 0 CAADHO O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768420 890692151 /nfs/dbraw/zinc/69/21/51/890692151.db2.gz TYMXWNLUCMLZDF-UKRRQHHQSA-N 1 3 297.399 -1.127 20 0 CAADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001424223558 890721648 /nfs/dbraw/zinc/72/16/48/890721648.db2.gz VRXSECLGRZRVPC-GRYCIOLGSA-N 1 3 298.387 -1.371 20 0 CAADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001424223558 890721657 /nfs/dbraw/zinc/72/16/57/890721657.db2.gz VRXSECLGRZRVPC-GRYCIOLGSA-N 1 3 298.387 -1.371 20 0 CAADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001424223561 890723901 /nfs/dbraw/zinc/72/39/01/890723901.db2.gz VRXSECLGRZRVPC-IJLUTSLNSA-N 1 3 298.387 -1.371 20 0 CAADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001424223561 890723909 /nfs/dbraw/zinc/72/39/09/890723909.db2.gz VRXSECLGRZRVPC-IJLUTSLNSA-N 1 3 298.387 -1.371 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCOCC2)C1 ZINC001424440288 890734472 /nfs/dbraw/zinc/73/44/72/890734472.db2.gz RSVNHFPLIPQKIP-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC2(CNCC(N)=O)CCOCC2)C1 ZINC001424440288 890734480 /nfs/dbraw/zinc/73/44/80/890734480.db2.gz RSVNHFPLIPQKIP-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001437196915 891168497 /nfs/dbraw/zinc/16/84/97/891168497.db2.gz FYXBVJBTASRZFW-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001437196920 891169136 /nfs/dbraw/zinc/16/91/36/891169136.db2.gz FYXBVJBTASRZFW-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001437233896 891170654 /nfs/dbraw/zinc/17/06/54/891170654.db2.gz GXXLDUMWNFJIOT-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851335 891195600 /nfs/dbraw/zinc/19/56/00/891195600.db2.gz XFVJOCFWRUHHBU-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851335 891195609 /nfs/dbraw/zinc/19/56/09/891195609.db2.gz XFVJOCFWRUHHBU-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO COC[C@@H](O)CN1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438136292 891207055 /nfs/dbraw/zinc/20/70/55/891207055.db2.gz WLZBTZSUNHSDFP-LBPRGKRZSA-N 1 3 273.377 -1.007 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439006433 891265180 /nfs/dbraw/zinc/26/51/80/891265180.db2.gz ZUJVCHBHZGWOEI-JTQLQIEISA-N 1 3 284.360 -1.833 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439060557 891280477 /nfs/dbraw/zinc/28/04/77/891280477.db2.gz UZPGNIYJMMLCTR-UWVGGRQHSA-N 1 3 274.365 -1.733 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001439121559 891284999 /nfs/dbraw/zinc/28/49/99/891284999.db2.gz YAVOHTAZLKGNCI-SECBINFHSA-N 1 3 299.375 -1.240 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001440378729 891371057 /nfs/dbraw/zinc/37/10/57/891371057.db2.gz VAHPJYFJRAPBIW-NEPJUHHUSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001440378729 891371073 /nfs/dbraw/zinc/37/10/73/891371073.db2.gz VAHPJYFJRAPBIW-NEPJUHHUSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001440378732 891372079 /nfs/dbraw/zinc/37/20/79/891372079.db2.gz VAHPJYFJRAPBIW-RYUDHWBXSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001440378732 891372090 /nfs/dbraw/zinc/37/20/90/891372090.db2.gz VAHPJYFJRAPBIW-RYUDHWBXSA-N 1 3 298.387 -1.370 20 0 CAADHO NC(=O)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001440638911 891376941 /nfs/dbraw/zinc/37/69/41/891376941.db2.gz JDJDBDRLZXPKHK-UHFFFAOYSA-N 1 3 298.387 -1.489 20 0 CAADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001441401921 891410041 /nfs/dbraw/zinc/41/00/41/891410041.db2.gz HFHRRBWEDDBJJO-GUBZILKMSA-N 1 3 299.375 -1.242 20 0 CAADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661077 891422734 /nfs/dbraw/zinc/42/27/34/891422734.db2.gz SKCKUPYARDICSN-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661077 891422740 /nfs/dbraw/zinc/42/27/40/891422740.db2.gz SKCKUPYARDICSN-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661069 891423080 /nfs/dbraw/zinc/42/30/80/891423080.db2.gz SKCKUPYARDICSN-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661069 891423088 /nfs/dbraw/zinc/42/30/88/891423088.db2.gz SKCKUPYARDICSN-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(N)=O ZINC001441951931 891464626 /nfs/dbraw/zinc/46/46/26/891464626.db2.gz YWNZQUQNSBVXQC-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942488 891465792 /nfs/dbraw/zinc/46/57/92/891465792.db2.gz CJUROZJICNZOMF-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001442010161 891476015 /nfs/dbraw/zinc/47/60/15/891476015.db2.gz PKYHQOPUNGOUOQ-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001442010161 891476028 /nfs/dbraw/zinc/47/60/28/891476028.db2.gz PKYHQOPUNGOUOQ-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001442036491 891477060 /nfs/dbraw/zinc/47/70/60/891477060.db2.gz HXAOIRZWPJNBKV-JTQLQIEISA-N 1 3 284.360 -2.024 20 0 CAADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008609 891477273 /nfs/dbraw/zinc/47/72/73/891477273.db2.gz FFUAFCLZEUYFNK-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445176053 891613227 /nfs/dbraw/zinc/61/32/27/891613227.db2.gz GSNSJGAUBBGXKL-MNOVXSKESA-N 1 3 284.360 -2.120 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001445181549 891613792 /nfs/dbraw/zinc/61/37/92/891613792.db2.gz KMQMNMXNFXFHIV-GARJFASQSA-N 1 3 286.376 -1.731 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001445181549 891613799 /nfs/dbraw/zinc/61/37/99/891613799.db2.gz KMQMNMXNFXFHIV-GARJFASQSA-N 1 3 286.376 -1.731 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001445224998 891620839 /nfs/dbraw/zinc/62/08/39/891620839.db2.gz LWQLKSNZKLJYEO-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445273811 891623769 /nfs/dbraw/zinc/62/37/69/891623769.db2.gz RELCYWSBIKYRIR-WDEREUQCSA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445273811 891623777 /nfs/dbraw/zinc/62/37/77/891623777.db2.gz RELCYWSBIKYRIR-WDEREUQCSA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445273803 891625768 /nfs/dbraw/zinc/62/57/68/891625768.db2.gz RELCYWSBIKYRIR-MNOVXSKESA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445273803 891625777 /nfs/dbraw/zinc/62/57/77/891625777.db2.gz RELCYWSBIKYRIR-MNOVXSKESA-N 1 3 286.376 -1.859 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445460178 891637243 /nfs/dbraw/zinc/63/72/43/891637243.db2.gz YMBLNLLONCZKHU-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445426662 891637318 /nfs/dbraw/zinc/63/73/18/891637318.db2.gz HKWSRFQLHORBST-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445426661 891637865 /nfs/dbraw/zinc/63/78/65/891637865.db2.gz HKWSRFQLHORBST-BDAKNGLRSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446811573 891692446 /nfs/dbraw/zinc/69/24/46/891692446.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 1 3 273.377 -1.127 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446811573 891692455 /nfs/dbraw/zinc/69/24/55/891692455.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 1 3 273.377 -1.127 20 0 CAADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163355 891839290 /nfs/dbraw/zinc/83/92/90/891839290.db2.gz UNHZZTSHSDRMSW-GHMZBOCLSA-N 1 3 286.376 -1.778 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201959 891841129 /nfs/dbraw/zinc/84/11/29/891841129.db2.gz ZMOMGBLWKXTBFE-QWRGUYRKSA-N 1 3 288.392 -1.391 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201954 891845447 /nfs/dbraw/zinc/84/54/47/891845447.db2.gz ZMOMGBLWKXTBFE-GHMZBOCLSA-N 1 3 288.392 -1.391 20 0 CAADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480234149 892508497 /nfs/dbraw/zinc/50/84/97/892508497.db2.gz XLSHZFKRCFUEFP-AOOOYVTPSA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001480475578 892521561 /nfs/dbraw/zinc/52/15/61/892521561.db2.gz RSVZEGGVRMZZIL-SECBINFHSA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001480475580 892523229 /nfs/dbraw/zinc/52/32/29/892523229.db2.gz RSVZEGGVRMZZIL-VIFPVBQESA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NCC(N)=O ZINC001480551979 892530253 /nfs/dbraw/zinc/53/02/53/892530253.db2.gz AUULUXRKNZYXIV-JTQLQIEISA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001481276744 892594126 /nfs/dbraw/zinc/59/41/26/892594126.db2.gz FQQKXGOWQCUYAE-SECBINFHSA-N 1 3 287.364 -1.431 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764263 892691123 /nfs/dbraw/zinc/69/11/23/892691123.db2.gz MPINYFBZGYPLPF-VIFPVBQESA-N 1 3 260.338 -2.249 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001482763500 892691189 /nfs/dbraw/zinc/69/11/89/892691189.db2.gz VOKYZWOHXGRVQA-GHMZBOCLSA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764069 892691358 /nfs/dbraw/zinc/69/13/58/892691358.db2.gz IZJGBNDTNGKCCE-UWVGGRQHSA-N 1 3 274.365 -1.861 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001482763501 892691536 /nfs/dbraw/zinc/69/15/36/892691536.db2.gz VOKYZWOHXGRVQA-MNOVXSKESA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764068 892692055 /nfs/dbraw/zinc/69/20/55/892692055.db2.gz IZJGBNDTNGKCCE-NXEZZACHSA-N 1 3 274.365 -1.861 20 0 CAADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767486 892695196 /nfs/dbraw/zinc/69/51/96/892695196.db2.gz NNAUXWQSHDOCJA-ZJUUUORDSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001482774641 892698853 /nfs/dbraw/zinc/69/88/53/892698853.db2.gz LXZZRLBVSNORFU-NSHDSACASA-N 1 3 286.376 -1.730 20 0 CAADHO CC[C@@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786560 892700742 /nfs/dbraw/zinc/70/07/42/892700742.db2.gz TVWOJTLITJOOKX-GHMZBOCLSA-N 1 3 298.387 -1.587 20 0 CAADHO CC[C@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786561 892703057 /nfs/dbraw/zinc/70/30/57/892703057.db2.gz TVWOJTLITJOOKX-MNOVXSKESA-N 1 3 298.387 -1.587 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482791143 892704662 /nfs/dbraw/zinc/70/46/62/892704662.db2.gz QEDNKTPPSUMHGG-ZJUUUORDSA-N 1 3 272.349 -2.249 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482791143 892704669 /nfs/dbraw/zinc/70/46/69/892704669.db2.gz QEDNKTPPSUMHGG-ZJUUUORDSA-N 1 3 272.349 -2.249 20 0 CAADHO CC[C@@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786563 892704707 /nfs/dbraw/zinc/70/47/07/892704707.db2.gz TVWOJTLITJOOKX-WDEREUQCSA-N 1 3 298.387 -1.587 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482791140 892705116 /nfs/dbraw/zinc/70/51/16/892705116.db2.gz QEDNKTPPSUMHGG-NXEZZACHSA-N 1 3 272.349 -2.249 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482791140 892705128 /nfs/dbraw/zinc/70/51/28/892705128.db2.gz QEDNKTPPSUMHGG-NXEZZACHSA-N 1 3 272.349 -2.249 20 0 CAADHO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCN1C ZINC001483484757 892765574 /nfs/dbraw/zinc/76/55/74/892765574.db2.gz SQNZFJZZLGLUMF-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298533 893043366 /nfs/dbraw/zinc/04/33/66/893043366.db2.gz QSRUTTSLFZXQNF-MNOVXSKESA-N 1 3 288.392 -1.519 20 0 CAADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486498804 893074540 /nfs/dbraw/zinc/07/45/40/893074540.db2.gz GQCUCDZTTNIPAM-NSHDSACASA-N 1 3 286.376 -1.512 20 0 CAADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486498804 893074562 /nfs/dbraw/zinc/07/45/62/893074562.db2.gz GQCUCDZTTNIPAM-NSHDSACASA-N 1 3 286.376 -1.512 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001491458160 893276109 /nfs/dbraw/zinc/27/61/09/893276109.db2.gz XZNCCRMBLPIMDC-OPRDCNLKSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001491458160 893276124 /nfs/dbraw/zinc/27/61/24/893276124.db2.gz XZNCCRMBLPIMDC-OPRDCNLKSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001491625611 893301975 /nfs/dbraw/zinc/30/19/75/893301975.db2.gz ORGWHGWRRBNXSW-SNVBAGLBSA-N 1 3 286.376 -1.323 20 0 CAADHO CN(CCNCC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493761396 893415699 /nfs/dbraw/zinc/41/56/99/893415699.db2.gz JRNIJKSTYFNZFC-JTQLQIEISA-N 1 3 256.350 -1.139 20 0 CAADHO CN(CCNCC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493761396 893415703 /nfs/dbraw/zinc/41/57/03/893415703.db2.gz JRNIJKSTYFNZFC-JTQLQIEISA-N 1 3 256.350 -1.139 20 0 CAADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229458 893513670 /nfs/dbraw/zinc/51/36/70/893513670.db2.gz IEGWRTPXXVOSMU-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496229458 893513687 /nfs/dbraw/zinc/51/36/87/893513687.db2.gz IEGWRTPXXVOSMU-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001496995497 893575576 /nfs/dbraw/zinc/57/55/76/893575576.db2.gz JQJXXHXEJNJRTH-SNVBAGLBSA-N 1 3 286.376 -1.717 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497091012 893602126 /nfs/dbraw/zinc/60/21/26/893602126.db2.gz 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ZINC001497092324 893604800 /nfs/dbraw/zinc/60/48/00/893604800.db2.gz QLYIWMWZUQXOEI-GHMZBOCLSA-N 1 3 298.387 -1.717 20 0 CAADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001497113682 893604996 /nfs/dbraw/zinc/60/49/96/893604996.db2.gz LMBATSLMZVLCJQ-MNOVXSKESA-N 1 3 296.375 -1.368 20 0 CAADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001497113682 893605003 /nfs/dbraw/zinc/60/50/03/893605003.db2.gz LMBATSLMZVLCJQ-MNOVXSKESA-N 1 3 296.375 -1.368 20 0 CAADHO CCN(CCNCC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001497447716 893621482 /nfs/dbraw/zinc/62/14/82/893621482.db2.gz PICVQDIQZUZQQE-UHFFFAOYSA-N 1 3 287.364 -1.429 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497817189 893637594 /nfs/dbraw/zinc/63/75/94/893637594.db2.gz NWIXAIWHMVDPRR-KOLCDFICSA-N 1 3 268.361 -1.092 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001497895389 893642876 /nfs/dbraw/zinc/64/28/76/893642876.db2.gz QLSJZVADDLOVDA-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001497901207 893642965 /nfs/dbraw/zinc/64/29/65/893642965.db2.gz ZJBHEEYZIWRZSG-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045515 893649662 /nfs/dbraw/zinc/64/96/62/893649662.db2.gz YOCSSHOMVSRDJQ-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498045515 893649664 /nfs/dbraw/zinc/64/96/64/893649664.db2.gz YOCSSHOMVSRDJQ-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@@H](CNCC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160106 893660095 /nfs/dbraw/zinc/66/00/95/893660095.db2.gz IDRNGEOXRAGBMN-VIFPVBQESA-N 1 3 254.334 -1.338 20 0 CAADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001498152514 893661188 /nfs/dbraw/zinc/66/11/88/893661188.db2.gz BRTJQEIGWWDRKA-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001498152514 893661196 /nfs/dbraw/zinc/66/11/96/893661196.db2.gz 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893814171 /nfs/dbraw/zinc/81/41/71/893814171.db2.gz HLHGDQYBZFELJT-RYUDHWBXSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001501511241 893814191 /nfs/dbraw/zinc/81/41/91/893814191.db2.gz HLHGDQYBZFELJT-RYUDHWBXSA-N 1 3 298.387 -1.763 20 0 CAADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001502092096 893842273 /nfs/dbraw/zinc/84/22/73/893842273.db2.gz ICYHPRYBAFLSML-NEPJUHHUSA-N 1 3 298.387 -1.499 20 0 CAADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092096 893842280 /nfs/dbraw/zinc/84/22/80/893842280.db2.gz ICYHPRYBAFLSML-NEPJUHHUSA-N 1 3 298.387 -1.499 20 0 CAADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)N(C)C ZINC001507541088 894069973 /nfs/dbraw/zinc/06/99/73/894069973.db2.gz HZHYAOJRUPCORZ-RYUDHWBXSA-N 1 3 275.393 -1.026 20 0 CAADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001521971042 894212867 /nfs/dbraw/zinc/21/28/67/894212867.db2.gz CLLNXPYHXJSDRI-PWSUYJOCSA-N 1 3 269.345 -1.262 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522310649 894216187 /nfs/dbraw/zinc/21/61/87/894216187.db2.gz CHDFCNDOOBWDFC-BXKDBHETSA-N 1 3 267.333 -2.114 20 0 CAADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001548554455 894486576 /nfs/dbraw/zinc/48/65/76/894486576.db2.gz UKNIAKRWJMKMBG-VXGBXAGGSA-N 1 3 270.377 -1.273 20 0 CAADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001548554454 894487345 /nfs/dbraw/zinc/48/73/45/894487345.db2.gz UKNIAKRWJMKMBG-RYUDHWBXSA-N 1 3 270.377 -1.273 20 0 CAADHO O=C(NC[C@H]1CNCCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548562438 894487350 /nfs/dbraw/zinc/48/73/50/894487350.db2.gz OTPUYZJMMRPVJM-MFKMUULPSA-N 1 3 282.344 -1.011 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548562436 894487362 /nfs/dbraw/zinc/48/73/62/894487362.db2.gz OTPUYZJMMRPVJM-GXFFZTMASA-N 1 3 282.344 -1.011 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574541 894489181 /nfs/dbraw/zinc/48/91/81/894489181.db2.gz 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ZINC001550096257 894528898 /nfs/dbraw/zinc/52/88/98/894528898.db2.gz IKCUVLKJBXNTGG-NNYUYHANSA-N 1 3 276.344 -1.024 20 0 CAADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001550096259 894529836 /nfs/dbraw/zinc/52/98/36/894529836.db2.gz IKCUVLKJBXNTGG-WYUUTHIRSA-N 1 3 276.344 -1.024 20 0 CAADHO CN1CC[C@@H](N2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)C1=O ZINC001550092563 894530268 /nfs/dbraw/zinc/53/02/68/894530268.db2.gz IRXCMPVTUKHSEA-LLVKDONJSA-N 1 3 296.371 -1.868 20 0 CAADHO CO[C@H](CN)C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550188584 894531952 /nfs/dbraw/zinc/53/19/52/894531952.db2.gz YTHINROHNSIKGL-GMTAPVOTSA-N 1 3 267.333 -1.353 20 0 CAADHO CO[C@H](CN)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550182773 894533663 /nfs/dbraw/zinc/53/36/63/894533663.db2.gz QMFJOFISQHRCKH-GHMZBOCLSA-N 1 3 256.350 -1.534 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCNC[C@@H](O)C1 ZINC001550736337 894538726 /nfs/dbraw/zinc/53/87/26/894538726.db2.gz RDZMTYWSVLDMGC-MNOVXSKESA-N 1 3 272.349 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/nfs/dbraw/zinc/56/47/85/894564785.db2.gz CNNWVNVDSJTDHG-LVEVGFFFSA-N 1 3 269.345 -1.361 20 0 CAADHO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCNC[C@H](O)C1 ZINC001553429116 894565743 /nfs/dbraw/zinc/56/57/43/894565743.db2.gz POQBDMDBQYBHFZ-NAKRPEOUSA-N 1 3 255.318 -1.702 20 0 CAADHO CN1C[C@@H](O)[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC001553647656 894569062 /nfs/dbraw/zinc/56/90/62/894569062.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 1 3 270.377 -1.729 20 0 CAADHO CN1C[C@@H](O)[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001553647656 894569071 /nfs/dbraw/zinc/56/90/71/894569071.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 1 3 270.377 -1.729 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126954482 230175933 /nfs/dbraw/zinc/17/59/33/230175933.db2.gz IBPHFILMMIRKMB-GHMZBOCLSA-N 1 3 268.361 -1.125 20 0 CAADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573338112 334929317 /nfs/dbraw/zinc/92/93/17/334929317.db2.gz DCQNBRJGQGCQFJ-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262545005 230227827 /nfs/dbraw/zinc/22/78/27/230227827.db2.gz RUGFGXBCMJDHLA-GRYCIOLGSA-N 1 3 271.361 -1.064 20 0 CAADHO O[C@@H]1CN(CCCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710246 230337399 /nfs/dbraw/zinc/33/73/99/230337399.db2.gz USGZRCGDMMGZDG-MPZDIEGVSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710246 230337403 /nfs/dbraw/zinc/33/74/03/230337403.db2.gz USGZRCGDMMGZDG-MPZDIEGVSA-N 1 3 274.361 -1.769 20 0 CAADHO CN1CC[C@@](O)(CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471651867 230354532 /nfs/dbraw/zinc/35/45/32/230354532.db2.gz HAWMYDZVUQOOPH-CYBMUJFWSA-N 1 3 288.392 -1.070 20 0 CAADHO CN1CC[C@](O)(CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471651868 230355258 /nfs/dbraw/zinc/35/52/58/230355258.db2.gz HAWMYDZVUQOOPH-ZDUSSCGKSA-N 1 3 288.392 -1.070 20 0 CAADHO CN1C[C@H](N[C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455284 334939180 /nfs/dbraw/zinc/93/91/80/334939180.db2.gz GVXMERVLQHCECB-GHMZBOCLSA-N 1 3 296.371 -1.114 20 0 CAADHO C[NH2+]C[C@@H](C)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000420192021 529980429 /nfs/dbraw/zinc/98/04/29/529980429.db2.gz HYPJLIOTXNVTPD-SNVBAGLBSA-N 1 3 297.407 -1.371 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000194916617 545591694 /nfs/dbraw/zinc/59/16/94/545591694.db2.gz SWKWFNHZDQWAJG-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000194916602 545592091 /nfs/dbraw/zinc/59/20/91/545592091.db2.gz SWKWFNHZDQWAJG-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO COCCNCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574276276 335005991 /nfs/dbraw/zinc/00/59/91/335005991.db2.gz SBSIKWLYAFLHOH-NSHDSACASA-N 1 3 296.375 -1.004 20 0 CAADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc(N)nc(N)n1 ZINC000624386448 372857211 /nfs/dbraw/zinc/85/72/11/372857211.db2.gz KMABOUGYENNHAH-VIFPVBQESA-N 1 3 282.396 -1.197 20 0 CAADHO CN(CCC[NH+](C)C)CCNc1nc(N)nc(N)n1 ZINC000624392360 372857589 /nfs/dbraw/zinc/85/75/89/372857589.db2.gz PNHPYIZPFHGTQJ-UHFFFAOYSA-N 1 3 268.369 -1.586 20 0 CAADHO Nc1nc(N)nc(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000623858411 372902795 /nfs/dbraw/zinc/90/27/95/372902795.db2.gz LEHVQOSAMXNLJL-MRVPVSSYSA-N 1 3 267.337 -1.623 20 0 CAADHO CC[NH+](CC)CCOCCNc1nc(N)nc(N)n1 ZINC000624100270 372906194 /nfs/dbraw/zinc/90/61/94/372906194.db2.gz ODXPGMRANHNTAO-UHFFFAOYSA-N 1 3 269.353 -1.111 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000237155568 372911459 /nfs/dbraw/zinc/91/14/59/372911459.db2.gz OAHQASMJJORHFZ-SNVBAGLBSA-N 1 3 256.350 -1.139 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574414424 335018171 /nfs/dbraw/zinc/01/81/71/335018171.db2.gz RIOYHDZNIDMRTB-BBBLOLIVSA-N 1 3 254.334 -1.260 20 0 CAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926319 372925687 /nfs/dbraw/zinc/92/56/87/372925687.db2.gz GNCXAYVPZIGBOQ-LBPRGKRZSA-N 1 3 298.387 -1.356 20 0 CAADHO COC[C@@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000643801265 372935702 /nfs/dbraw/zinc/93/57/02/372935702.db2.gz VHRGKIHEBVWGNQ-CMPLNLGQSA-N 1 3 257.334 -1.140 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)CCOC1CNC1 ZINC000572952381 372961848 /nfs/dbraw/zinc/96/18/48/372961848.db2.gz LRDAYGFAANFXEH-JTQLQIEISA-N 1 3 256.350 -1.615 20 0 CAADHO NC(=O)NC(=O)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000572714733 372962128 /nfs/dbraw/zinc/96/21/28/372962128.db2.gz WOSWYRHMSVZPHH-SNVBAGLBSA-N 1 3 299.375 -1.252 20 0 CAADHO NC(=O)NC(=O)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572714733 372962136 /nfs/dbraw/zinc/96/21/36/372962136.db2.gz WOSWYRHMSVZPHH-SNVBAGLBSA-N 1 3 299.375 -1.252 20 0 CAADHO NC(=O)NC(=O)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572714733 372962143 /nfs/dbraw/zinc/96/21/43/372962143.db2.gz WOSWYRHMSVZPHH-SNVBAGLBSA-N 1 3 299.375 -1.252 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452191 372962878 /nfs/dbraw/zinc/96/28/78/372962878.db2.gz WIXDWUNGMCGLCT-MWLCHTKSSA-N 1 3 282.344 -1.865 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CCN2C1=O ZINC000569744225 372981865 /nfs/dbraw/zinc/98/18/65/372981865.db2.gz HZDONRBTOMLEOO-JXUBOQSCSA-N 1 3 252.318 -1.506 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528848 372997303 /nfs/dbraw/zinc/99/73/03/372997303.db2.gz KHMWURIIKMXUQI-SDDRHHMPSA-N 1 3 295.387 -1.061 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528845 372997435 /nfs/dbraw/zinc/99/74/35/372997435.db2.gz KHMWURIIKMXUQI-GRYCIOLGSA-N 1 3 295.387 -1.061 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528847 372998369 /nfs/dbraw/zinc/99/83/69/372998369.db2.gz KHMWURIIKMXUQI-QJPTWQEYSA-N 1 3 295.387 -1.061 20 0 CAADHO [NH3+][C@@H]1C[C@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643892 372999307 /nfs/dbraw/zinc/99/93/07/372999307.db2.gz BUSRCIAJDAQCSW-NWDGAFQWSA-N 1 3 295.387 -1.948 20 0 CAADHO [NH3+][C@H]1C[C@@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643886 372999969 /nfs/dbraw/zinc/99/99/69/372999969.db2.gz BUSRCIAJDAQCSW-NEPJUHHUSA-N 1 3 295.387 -1.948 20 0 CAADHO C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570818126 373002277 /nfs/dbraw/zinc/00/22/77/373002277.db2.gz LRZXHZXBLZTCOB-BBBLOLIVSA-N 1 3 269.349 -1.465 20 0 CAADHO CN1CCN(C(=O)C[C@@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000162513568 373010153 /nfs/dbraw/zinc/01/01/53/373010153.db2.gz XZZGRYDYKUBQJT-GHMZBOCLSA-N 1 3 256.350 -1.534 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878380 373106620 /nfs/dbraw/zinc/10/66/20/373106620.db2.gz HBHHFPNPAFQUKG-UKKRHICBSA-N 1 3 266.345 -1.116 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879332 373106665 /nfs/dbraw/zinc/10/66/65/373106665.db2.gz MZSYMIHMUYKEJO-DYNIEEOBSA-N 1 3 294.355 -2.007 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877910 373107222 /nfs/dbraw/zinc/10/72/22/373107222.db2.gz ARDHSGKQKTTWLB-GMTAPVOTSA-N 1 3 282.344 -2.007 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878054 373107521 /nfs/dbraw/zinc/10/75/21/373107521.db2.gz BVNAGWROYRORMI-MNOVXSKESA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878378 373107554 /nfs/dbraw/zinc/10/75/54/373107554.db2.gz HBHHFPNPAFQUKG-LMLFDSFASA-N 1 3 266.345 -1.116 20 0 CAADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594879620 373107568 /nfs/dbraw/zinc/10/75/68/373107568.db2.gz BIPBGWOGTFRJFN-LPEHRKFASA-N 1 3 266.345 -1.245 20 0 CAADHO CC1(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[NH2+]C1 ZINC000594879703 373107618 /nfs/dbraw/zinc/10/76/18/373107618.db2.gz KKSSHPYHDMAXIW-UWVGGRQHSA-N 1 3 282.344 -1.865 20 0 CAADHO CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594873929 373107638 /nfs/dbraw/zinc/10/76/38/373107638.db2.gz TXAMFIMJDKHVOE-DTWKUNHWSA-N 1 3 254.334 -1.116 20 0 CAADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594879619 373107751 /nfs/dbraw/zinc/10/77/51/373107751.db2.gz BIPBGWOGTFRJFN-KXUCPTDWSA-N 1 3 266.345 -1.245 20 0 CAADHO CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594873930 373107949 /nfs/dbraw/zinc/10/79/49/373107949.db2.gz TXAMFIMJDKHVOE-IUCAKERBSA-N 1 3 254.334 -1.116 20 0 CAADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594879618 373107961 /nfs/dbraw/zinc/10/79/61/373107961.db2.gz BIPBGWOGTFRJFN-IVZWLZJFSA-N 1 3 266.345 -1.245 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877911 373108001 /nfs/dbraw/zinc/10/80/01/373108001.db2.gz ARDHSGKQKTTWLB-HBNTYKKESA-N 1 3 282.344 -2.007 20 0 CAADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594879621 373108022 /nfs/dbraw/zinc/10/80/22/373108022.db2.gz BIPBGWOGTFRJFN-OPRDCNLKSA-N 1 3 266.345 -1.245 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268457 373109269 /nfs/dbraw/zinc/10/92/69/373109269.db2.gz UORKJPIIOAMXPQ-GARJFASQSA-N 1 3 281.360 -1.308 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000595267501 373109573 /nfs/dbraw/zinc/10/95/73/373109573.db2.gz MGIVGOIZXYNELI-OPRDCNLKSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CC3)CCN2C1=O ZINC000595268431 373110040 /nfs/dbraw/zinc/11/00/40/373110040.db2.gz TVVXRVGWWHOROK-DCAQKATOSA-N 1 3 281.360 -1.323 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267457 373110297 /nfs/dbraw/zinc/11/02/97/373110297.db2.gz LHXRKBVPHUEMGC-QWRGUYRKSA-N 1 3 281.360 -1.308 20 0 CAADHO CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595273804 373111488 /nfs/dbraw/zinc/11/14/88/373111488.db2.gz NGAQXMFXYFJHRN-AEJSXWLSSA-N 1 3 269.349 -1.323 20 0 CAADHO C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595274580 373111852 /nfs/dbraw/zinc/11/18/52/373111852.db2.gz TZTHOLKSYFYTIU-UTLUCORTSA-N 1 3 269.349 -1.452 20 0 CAADHO CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595273816 373112240 /nfs/dbraw/zinc/11/22/40/373112240.db2.gz NGAQXMFXYFJHRN-GUBZILKMSA-N 1 3 269.349 -1.323 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595276240 373112682 /nfs/dbraw/zinc/11/26/82/373112682.db2.gz WJGNOQBAHHKUQM-AEJSXWLSSA-N 1 3 269.349 -1.452 20 0 CAADHO N[C@@H]1C[C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902691 373122764 /nfs/dbraw/zinc/12/27/64/373122764.db2.gz GCZXHRMSAHTVJO-SDDRHHMPSA-N 1 3 280.372 -1.249 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969024 373126604 /nfs/dbraw/zinc/12/66/04/373126604.db2.gz BEPZDRIVCFFACL-BREBYQMCSA-N 1 3 282.344 -2.129 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CCN2C1=O ZINC000595969873 373127536 /nfs/dbraw/zinc/12/75/36/373127536.db2.gz HZDONRBTOMLEOO-ZYUZMQFOSA-N 1 3 252.318 -1.506 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969025 373127904 /nfs/dbraw/zinc/12/79/04/373127904.db2.gz BEPZDRIVCFFACL-CWSCBRNRSA-N 1 3 282.344 -2.129 20 0 CAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000599941131 373187757 /nfs/dbraw/zinc/18/77/57/373187757.db2.gz WTRFVQZCPCBBPZ-XWLWVQCSSA-N 1 3 281.360 -1.310 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000599938104 373187826 /nfs/dbraw/zinc/18/78/26/373187826.db2.gz MGIVGOIZXYNELI-BBBLOLIVSA-N 1 3 267.333 -1.698 20 0 CAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000599941130 373188112 /nfs/dbraw/zinc/18/81/12/373188112.db2.gz WTRFVQZCPCBBPZ-UKKRHICBSA-N 1 3 281.360 -1.310 20 0 CAADHO CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000602526837 373200738 /nfs/dbraw/zinc/20/07/38/373200738.db2.gz PVWRNNNMUSWQDP-BBBLOLIVSA-N 1 3 254.334 -1.245 20 0 CAADHO CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000602526843 373202341 /nfs/dbraw/zinc/20/23/41/373202341.db2.gz PVWRNNNMUSWQDP-OPRDCNLKSA-N 1 3 254.334 -1.245 20 0 CAADHO NCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563167194 373246615 /nfs/dbraw/zinc/24/66/15/373246615.db2.gz ZFFBZXMMFNRTPD-ZETCQYMHSA-N 1 3 254.256 -1.103 20 0 CAADHO COCC[N@@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955027 373302406 /nfs/dbraw/zinc/30/24/06/373302406.db2.gz JPHHNYNKMQOGJJ-SSDOTTSWSA-N 1 3 253.310 -1.749 20 0 CAADHO COCC[N@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955027 373302412 /nfs/dbraw/zinc/30/24/12/373302412.db2.gz JPHHNYNKMQOGJJ-SSDOTTSWSA-N 1 3 253.310 -1.749 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)C(N)C(F)(F)F ZINC000571402324 373305117 /nfs/dbraw/zinc/30/51/17/373305117.db2.gz KSYVKIHHLDPRKB-NKWVEPMBSA-N 1 3 254.256 -1.104 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)C(N)C(F)(F)F ZINC000571402318 373306133 /nfs/dbraw/zinc/30/61/33/373306133.db2.gz KSYVKIHHLDPRKB-BQBZGAKWSA-N 1 3 254.256 -1.104 20 0 CAADHO CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](CN)C1 ZINC000571639699 373314656 /nfs/dbraw/zinc/31/46/56/373314656.db2.gz FMPOLLNCDIOSLY-MXWKQRLJSA-N 1 3 256.350 -1.406 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000637865857 373356428 /nfs/dbraw/zinc/35/64/28/373356428.db2.gz IUGBLKYHYQZHMX-WDEREUQCSA-N 1 3 256.350 -1.534 20 0 CAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000637865855 373357997 /nfs/dbraw/zinc/35/79/97/373357997.db2.gz IUGBLKYHYQZHMX-MNOVXSKESA-N 1 3 256.350 -1.534 20 0 CAADHO O=C(CN1CCNCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638239336 373404088 /nfs/dbraw/zinc/40/40/88/373404088.db2.gz BEBKCYCVFDLEBU-CYBMUJFWSA-N 1 3 281.404 -1.602 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337956 373415203 /nfs/dbraw/zinc/41/52/03/373415203.db2.gz NTXRLMYAKGLCNH-NHCYSSNCSA-N 1 3 257.334 -1.142 20 0 CAADHO [NH3+]C[C@]1(C(=O)NC[C@H]2CNCCO2)CCCOC1 ZINC000638337891 373415269 /nfs/dbraw/zinc/41/52/69/373415269.db2.gz LVNXNABORYDGJB-ZYHUDNBSSA-N 1 3 257.334 -1.154 20 0 CAADHO CCO[C@@H]1CN(C(=O)CN2CCNCC2)C[C@H]1C[NH3+] ZINC000638389519 373419753 /nfs/dbraw/zinc/41/97/53/373419753.db2.gz GBAPEIDVNJTIRC-VXGBXAGGSA-N 1 3 270.377 -1.286 20 0 CAADHO [NH3+]C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CCCOC1 ZINC000638436821 373423121 /nfs/dbraw/zinc/42/31/21/373423121.db2.gz DZAGHZGPIYCEIZ-LBPRGKRZSA-N 1 3 269.345 -1.057 20 0 CAADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638436848 373423459 /nfs/dbraw/zinc/42/34/59/373423459.db2.gz GCALXSVWYIMIJD-ZYHUDNBSSA-N 1 3 269.345 -1.046 20 0 CAADHO C[C@@H](CNC(=O)CN1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000638137192 373389174 /nfs/dbraw/zinc/38/91/74/373389174.db2.gz GUJCEAYCQKUCGB-AWEZNQCLSA-N 1 3 297.447 -1.109 20 0 CAADHO Nc1nc(N)nc(NCCC[NH+]2CCC(O)CC2)n1 ZINC000623876047 373439605 /nfs/dbraw/zinc/43/96/05/373439605.db2.gz GEOXUPXRIIHUMM-UHFFFAOYSA-N 1 3 267.337 -1.623 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000638914503 373482130 /nfs/dbraw/zinc/48/21/30/373482130.db2.gz SRPXCPMVUAICMN-SRVKXCTJSA-N 1 3 280.372 -1.031 20 0 CAADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)C1(O)CNC1 ZINC000638985204 373493224 /nfs/dbraw/zinc/49/32/24/373493224.db2.gz CDYXSXXUMAZIAZ-UHFFFAOYSA-N 1 3 277.328 -1.236 20 0 CAADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C ZINC000351557322 373577090 /nfs/dbraw/zinc/57/70/90/373577090.db2.gz QASFEHCFBLBASW-ZJUUUORDSA-N 1 3 256.350 -1.079 20 0 CAADHO COCCN1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559401 373577278 /nfs/dbraw/zinc/57/72/78/373577278.db2.gz JBXUDYBDDDCVIM-NWDGAFQWSA-N 1 3 298.387 -1.309 20 0 CAADHO COCCN1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351559402 373577976 /nfs/dbraw/zinc/57/79/76/373577976.db2.gz JBXUDYBDDDCVIM-RYUDHWBXSA-N 1 3 298.387 -1.309 20 0 CAADHO CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583884049 373649606 /nfs/dbraw/zinc/64/96/06/373649606.db2.gz UCAWQCJSMQXASU-IUCAKERBSA-N 1 3 269.349 -1.323 20 0 CAADHO CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583884048 373649624 /nfs/dbraw/zinc/64/96/24/373649624.db2.gz UCAWQCJSMQXASU-DTWKUNHWSA-N 1 3 269.349 -1.323 20 0 CAADHO CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583884050 373650379 /nfs/dbraw/zinc/65/03/79/373650379.db2.gz UCAWQCJSMQXASU-RKDXNWHRSA-N 1 3 269.349 -1.323 20 0 CAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C ZINC000633116070 373656840 /nfs/dbraw/zinc/65/68/40/373656840.db2.gz OQTQUPXXDGKYSD-NXEZZACHSA-N 1 3 256.350 -1.046 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893944 373678502 /nfs/dbraw/zinc/67/85/02/373678502.db2.gz BFMFYJPCOKPPMY-GARJFASQSA-N 1 3 266.345 -1.101 20 0 CAADHO C[NH2+]CCOCCN(C)CCN1C(=O)CNC1=O ZINC000629570625 373776990 /nfs/dbraw/zinc/77/69/90/373776990.db2.gz FJNWAGBJHUUJCC-UHFFFAOYSA-N 1 3 258.322 -1.294 20 0 CAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CNC1 ZINC000515144987 373724061 /nfs/dbraw/zinc/72/40/61/373724061.db2.gz LAXACTWIUGDWBV-SECBINFHSA-N 1 3 256.350 -1.079 20 0 CAADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513461 373734607 /nfs/dbraw/zinc/73/46/07/373734607.db2.gz WVNOJYAHRKAXIO-FRRDWIJNSA-N 1 3 292.383 -1.029 20 0 CAADHO O=C1CNC(=O)N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629560188 373776384 /nfs/dbraw/zinc/77/63/84/373776384.db2.gz JIMLHDMGMSQDCR-NSHDSACASA-N 1 3 284.360 -1.025 20 0 CAADHO Cn1nnnc1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629575709 373778707 /nfs/dbraw/zinc/77/87/07/373778707.db2.gz PKRYONICQNIHIY-SNVBAGLBSA-N 1 3 254.338 -1.201 20 0 CAADHO CNS(=O)(=O)CCCN(C)CCOCC[NH3+] ZINC000629578648 373779122 /nfs/dbraw/zinc/77/91/22/373779122.db2.gz KJHWECFFDJJILK-UHFFFAOYSA-N 1 3 253.368 -1.167 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629789641 373784956 /nfs/dbraw/zinc/78/49/56/373784956.db2.gz UUSPZWRABAVYGG-UHFFFAOYSA-N 1 3 274.365 -1.560 20 0 CAADHO O=C(NCCCN1CC[NH2+]CC1)NCCN1CC[C@@H](O)C1 ZINC000627064848 373837521 /nfs/dbraw/zinc/83/75/21/373837521.db2.gz XWWDTOCIDHGYCX-CYBMUJFWSA-N 1 3 299.419 -1.353 20 0 CAADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CNCCO1 ZINC000627104056 373841010 /nfs/dbraw/zinc/84/10/10/373841010.db2.gz QXDWKUNMTIPKSO-GHMZBOCLSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1C[NH2+]CCO1 ZINC000627104056 373841014 /nfs/dbraw/zinc/84/10/14/373841014.db2.gz QXDWKUNMTIPKSO-GHMZBOCLSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CNCCO1 ZINC000627104059 373841894 /nfs/dbraw/zinc/84/18/94/373841894.db2.gz QXDWKUNMTIPKSO-WDEREUQCSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1C[NH2+]CCO1 ZINC000627104059 373841901 /nfs/dbraw/zinc/84/19/01/373841901.db2.gz QXDWKUNMTIPKSO-WDEREUQCSA-N 1 3 272.349 -1.659 20 0 CAADHO C[NH2+]CCOCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000627171551 373843829 /nfs/dbraw/zinc/84/38/29/373843829.db2.gz YQIIWNAWIJETCR-LLVKDONJSA-N 1 3 273.381 -1.493 20 0 CAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000566203386 373943181 /nfs/dbraw/zinc/94/31/81/373943181.db2.gz PZFBERLUYNOSOG-SNVBAGLBSA-N 1 3 254.334 -1.324 20 0 CAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000566203385 373944689 /nfs/dbraw/zinc/94/46/89/373944689.db2.gz PZFBERLUYNOSOG-JTQLQIEISA-N 1 3 254.334 -1.324 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)CC3(C[NH3+])CC3)CCN2C1=O ZINC000566495200 373947968 /nfs/dbraw/zinc/94/79/68/373947968.db2.gz DJNWXWRQDZIGFP-UWVGGRQHSA-N 1 3 266.345 -1.114 20 0 CAADHO CCN(CCNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000566964184 373950155 /nfs/dbraw/zinc/95/01/55/373950155.db2.gz VHOCEKNWQAYUJC-UHFFFAOYSA-N 1 3 254.334 -1.325 20 0 CAADHO O=C1CNCCN1[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000568089187 373964820 /nfs/dbraw/zinc/96/48/20/373964820.db2.gz KNDSYYOIEREONB-AWEZNQCLSA-N 1 3 295.431 -1.212 20 0 CAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000567470292 373956271 /nfs/dbraw/zinc/95/62/71/373956271.db2.gz ZASIHXAADYOFBD-IUCAKERBSA-N 1 3 290.314 -1.032 20 0 CAADHO CO[C@@H](CN)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581039 373958312 /nfs/dbraw/zinc/95/83/12/373958312.db2.gz OAVIHOQGILZSNI-DTWKUNHWSA-N 1 3 298.309 -1.088 20 0 CAADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567649025 373959893 /nfs/dbraw/zinc/95/98/93/373959893.db2.gz MSBPIOPCKIYBHZ-SNVBAGLBSA-N 1 3 254.334 -1.373 20 0 CAADHO O=C(CCOC1CNC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567817056 373962646 /nfs/dbraw/zinc/96/26/46/373962646.db2.gz GWCRNKRPYZVSII-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO COCCNCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000564449910 373929510 /nfs/dbraw/zinc/92/95/10/373929510.db2.gz MBZLEKLPKXHXEN-GFCCVEGCSA-N 1 3 259.350 -1.035 20 0 CAADHO O=C(C[C@@H]1CNCCO1)NCCN1CC[NH2+]CC1 ZINC000564797615 373931769 /nfs/dbraw/zinc/93/17/69/373931769.db2.gz UECBHTAUSGXPTH-LLVKDONJSA-N 1 3 256.350 -1.614 20 0 CAADHO CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000565361752 373936213 /nfs/dbraw/zinc/93/62/13/373936213.db2.gz BGUAAIHQCIESDY-VXGBXAGGSA-N 1 3 297.403 -1.654 20 0 CAADHO COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565669695 373939096 /nfs/dbraw/zinc/93/90/96/373939096.db2.gz HUHGCYHCMIQZPF-WDEREUQCSA-N 1 3 299.375 -1.824 20 0 CAADHO COCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995172 /nfs/dbraw/zinc/99/51/72/373995172.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 1 3 299.419 -1.009 20 0 CAADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578739867 373995824 /nfs/dbraw/zinc/99/58/24/373995824.db2.gz SWWIRKVUNIEMAV-WDEREUQCSA-N 1 3 286.376 -1.194 20 0 CAADHO COCCN1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996350 /nfs/dbraw/zinc/99/63/50/373996350.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 1 3 299.419 -1.009 20 0 CAADHO O=C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1 ZINC000579008408 373997760 /nfs/dbraw/zinc/99/77/60/373997760.db2.gz UCFAMDMHQTVKPM-TXEJJXNPSA-N 1 3 252.362 -1.041 20 0 CAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCO ZINC000579325494 374001287 /nfs/dbraw/zinc/00/12/87/374001287.db2.gz ZIRRHIKKEIEFJF-UHFFFAOYSA-N 1 3 288.392 -1.611 20 0 CAADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N(C)C1CC1 ZINC000579573038 374003435 /nfs/dbraw/zinc/00/34/35/374003435.db2.gz GBVAFXGHJLPYOR-MRVPVSSYSA-N 1 3 254.334 -1.327 20 0 CAADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC1CNC1 ZINC000579573092 374004142 /nfs/dbraw/zinc/00/41/42/374004142.db2.gz OBDOLFPUJNNZEI-UHFFFAOYSA-N 1 3 256.350 -1.078 20 0 CAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CNC1 ZINC000579573092 374004153 /nfs/dbraw/zinc/00/41/53/374004153.db2.gz OBDOLFPUJNNZEI-UHFFFAOYSA-N 1 3 256.350 -1.078 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287618 373969166 /nfs/dbraw/zinc/96/91/66/373969166.db2.gz DYWZEKPSBDCCIC-FBDQPXRJSA-N 1 3 279.344 -1.842 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000568620344 373972209 /nfs/dbraw/zinc/97/22/09/373972209.db2.gz YTGFEOKARUWISX-NEPJUHHUSA-N 1 3 270.377 -1.225 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568534850 373972680 /nfs/dbraw/zinc/97/26/80/373972680.db2.gz GLBHQNAQMCHUCJ-NSHDSACASA-N 1 3 286.376 -1.499 20 0 CAADHO CN1CCN(C(=O)C[C@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000572840230 373977850 /nfs/dbraw/zinc/97/78/50/373977850.db2.gz XZZGRYDYKUBQJT-QWRGUYRKSA-N 1 3 256.350 -1.534 20 0 CAADHO O=C(CCOC1CNC1)NC[C@H]1C[NH2+]CCCO1 ZINC000578191960 373991643 /nfs/dbraw/zinc/99/16/43/373991643.db2.gz UDRAPROJTLBSRY-LLVKDONJSA-N 1 3 257.334 -1.140 20 0 CAADHO C[NH+](C)CCN1CCN(c2nc(N)nc(N)n2)CC1=O ZINC000624347673 374111001 /nfs/dbraw/zinc/11/10/01/374111001.db2.gz YCJHWOFKMVCOOJ-UHFFFAOYSA-N 1 3 280.336 -2.093 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627361345 374115950 /nfs/dbraw/zinc/11/59/50/374115950.db2.gz MDBTVPOSGGKNOF-LLVKDONJSA-N 1 3 286.376 -1.451 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504133 374134939 /nfs/dbraw/zinc/13/49/39/374134939.db2.gz XBNVSWDQHLMCIR-GFCCVEGCSA-N 1 3 299.419 -1.584 20 0 CAADHO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623929859 374094868 /nfs/dbraw/zinc/09/48/68/374094868.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 1 3 294.363 -1.882 20 0 CAADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623929859 374094876 /nfs/dbraw/zinc/09/48/76/374094876.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 1 3 294.363 -1.882 20 0 CAADHO CN1CCC([N@@H+]2CC[C@H](Nc3nc(N)nc(N)n3)C2)CC1 ZINC000623966333 374099412 /nfs/dbraw/zinc/09/94/12/374099412.db2.gz MYEZDAPIESWYLT-VIFPVBQESA-N 1 3 292.391 -1.301 20 0 CAADHO CN1CCC([N@H+]2CC[C@H](Nc3nc(N)nc(N)n3)C2)CC1 ZINC000623966333 374099415 /nfs/dbraw/zinc/09/94/15/374099415.db2.gz MYEZDAPIESWYLT-VIFPVBQESA-N 1 3 292.391 -1.301 20 0 CAADHO COC1(C(=O)N2CCN(C)C[C@H]2CN)CC[NH2+]CC1 ZINC000634286788 374197951 /nfs/dbraw/zinc/19/79/51/374197951.db2.gz GJSNMXHPWSCHLY-LLVKDONJSA-N 1 3 270.377 -1.144 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574551586 335028861 /nfs/dbraw/zinc/02/88/61/335028861.db2.gz ZRMXFXIVGGIOHJ-LLVKDONJSA-N 1 3 266.345 -1.229 20 0 CAADHO CN(C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357243134 252148511 /nfs/dbraw/zinc/14/85/11/252148511.db2.gz QMHQUVWWCKWWIO-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO COCCCN(C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357934177 252153315 /nfs/dbraw/zinc/15/33/15/252153315.db2.gz ZYOJQCOTIPHPEU-GHMZBOCLSA-N 1 3 259.350 -1.206 20 0 CAADHO COCCN(C)CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357928971 252153853 /nfs/dbraw/zinc/15/38/53/252153853.db2.gz MUBNJWZGSFTBMF-WDEREUQCSA-N 1 3 259.350 -1.206 20 0 CAADHO COCCN(C)CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357928969 252154001 /nfs/dbraw/zinc/15/40/01/252154001.db2.gz MUBNJWZGSFTBMF-MNOVXSKESA-N 1 3 259.350 -1.206 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358512769 252156351 /nfs/dbraw/zinc/15/63/51/252156351.db2.gz IBCGIFNYBVOAEH-NWDGAFQWSA-N 1 3 298.387 -1.417 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366462191 252181766 /nfs/dbraw/zinc/18/17/66/252181766.db2.gz NGRGAQMCKKOKOL-DCQANWLSSA-N 1 3 280.372 -1.270 20 0 CAADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364216403 285036515 /nfs/dbraw/zinc/03/65/15/285036515.db2.gz RUGFGXBCMJDHLA-QJPTWQEYSA-N 1 3 271.361 -1.064 20 0 CAADHO O=C1NC[C@@H]2CN(CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977939 296379359 /nfs/dbraw/zinc/37/93/59/296379359.db2.gz NQBHGOPFNMRPCL-LLVKDONJSA-N 1 3 266.345 -1.371 20 0 CAADHO CCN1CCC(NC(=O)CN(CC[NH3+])CCO)CC1 ZINC000342388397 285188093 /nfs/dbraw/zinc/18/80/93/285188093.db2.gz NFHSQFSVJDIYMK-UHFFFAOYSA-N 1 3 272.393 -1.160 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000514825086 289136322 /nfs/dbraw/zinc/13/63/22/289136322.db2.gz OYULVMXPDVZKHW-GFCCVEGCSA-N 1 3 299.419 -1.502 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000194916588 545592262 /nfs/dbraw/zinc/59/22/62/545592262.db2.gz SWKWFNHZDQWAJG-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000648140343 409321827 /nfs/dbraw/zinc/32/18/27/409321827.db2.gz PGGBAEIQFHBLAV-MIZYBKAJSA-N 1 3 266.345 -1.340 20 0 CAADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409325026 /nfs/dbraw/zinc/32/50/26/409325026.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 1 3 269.345 -1.108 20 0 CAADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409325034 /nfs/dbraw/zinc/32/50/34/409325034.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 1 3 269.345 -1.108 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000648148267 409326812 /nfs/dbraw/zinc/32/68/12/409326812.db2.gz YLHALPPKIRPRJI-PWSUYJOCSA-N 1 3 286.376 -1.419 20 0 CAADHO CCCCN(C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516750674 409369961 /nfs/dbraw/zinc/36/99/61/409369961.db2.gz ADHAKCMZMJXVQL-UHFFFAOYSA-N 1 3 256.350 -1.078 20 0 CAADHO CC1(OCC(=O)NCCN2CC[NH2+]CC2)CNC1 ZINC000647679683 409376075 /nfs/dbraw/zinc/37/60/75/409376075.db2.gz ZRURUXXTPPORMR-UHFFFAOYSA-N 1 3 256.350 -1.614 20 0 CAADHO NC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516824 409393204 /nfs/dbraw/zinc/39/32/04/409393204.db2.gz ZNQPCYZKYNIKBF-BQBZGAKWSA-N 1 3 282.266 -1.140 20 0 CAADHO N[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662750241 409335582 /nfs/dbraw/zinc/33/55/82/409335582.db2.gz SYEBXNKDBLUIPB-BBBLOLIVSA-N 1 3 272.324 -1.248 20 0 CAADHO CN(C)CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653153092 409336120 /nfs/dbraw/zinc/33/61/20/409336120.db2.gz HPJJOQLLHOLMRD-AAEUAGOBSA-N 1 3 271.361 -1.083 20 0 CAADHO O=C(NC[C@H]1CNCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653163145 409341446 /nfs/dbraw/zinc/34/14/46/409341446.db2.gz IOEFEFPTEZLJTM-UMNHJUIQSA-N 1 3 255.318 -1.673 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCCN1CC[NH2+]CC1 ZINC000647605677 409355164 /nfs/dbraw/zinc/35/51/64/409355164.db2.gz JVTWTNLQPHVLEK-ZDUSSCGKSA-N 1 3 299.419 -1.503 20 0 CAADHO CC1(OCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CNC1 ZINC000647728271 409401622 /nfs/dbraw/zinc/40/16/22/409401622.db2.gz USVIGITUGWUHFI-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO CN(CCN1C(=O)CCC1=O)CCN1CC[NH2+]CC1 ZINC000071150330 409402947 /nfs/dbraw/zinc/40/29/47/409402947.db2.gz RITUIHXTFNHKBO-UHFFFAOYSA-N 1 3 268.361 -1.028 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777493 409407758 /nfs/dbraw/zinc/40/77/58/409407758.db2.gz SLYRPNMLMNFQOQ-ZDUSSCGKSA-N 1 3 299.419 -1.551 20 0 CAADHO CN(CCC(=O)N1CCN(C)CC1)CCN1CC[NH2+]CC1 ZINC000647836207 409411251 /nfs/dbraw/zinc/41/12/51/409411251.db2.gz OSDKTJIYXQLICT-UHFFFAOYSA-N 1 3 297.447 -1.013 20 0 CAADHO CNS(=O)(=O)CCCN(C)CCN1CC[NH2+]CC1 ZINC000647835638 409412937 /nfs/dbraw/zinc/41/29/37/409412937.db2.gz GNWJZJAEQDFPMD-UHFFFAOYSA-N 1 3 278.422 -1.237 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647876814 409415626 /nfs/dbraw/zinc/41/56/26/409415626.db2.gz AOEKAQWHPCKVIL-SCVCMEIPSA-N 1 3 286.376 -1.340 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000647877472 409415710 /nfs/dbraw/zinc/41/57/10/409415710.db2.gz RHSDXVQUVYFSDA-VHSXEESVSA-N 1 3 257.334 -1.061 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647876815 409415782 /nfs/dbraw/zinc/41/57/82/409415782.db2.gz AOEKAQWHPCKVIL-UMNHJUIQSA-N 1 3 286.376 -1.340 20 0 CAADHO CN1CCN(C(=O)COC2(C)CNC2)[C@@H](C[NH3+])C1 ZINC000647874463 409415852 /nfs/dbraw/zinc/41/58/52/409415852.db2.gz YSPDISYSEKLVFJ-JTQLQIEISA-N 1 3 256.350 -1.534 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659548013 409421027 /nfs/dbraw/zinc/42/10/27/409421027.db2.gz MWPHLDDOSDUKAD-PJXYFTJBSA-N 1 3 297.403 -1.134 20 0 CAADHO CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000519600110 409448323 /nfs/dbraw/zinc/44/83/23/409448323.db2.gz NUBAHOQJJUWGBM-WDEREUQCSA-N 1 3 283.376 -2.044 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715390 409472697 /nfs/dbraw/zinc/47/26/97/409472697.db2.gz SZYRXATXSNQKIA-SECBINFHSA-N 1 3 254.334 -1.325 20 0 CAADHO COCCNCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357717 409485360 /nfs/dbraw/zinc/48/53/60/409485360.db2.gz LQGGDWKYDCEALI-UHFFFAOYSA-N 1 3 288.392 -1.299 20 0 CAADHO C[C@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659530257 409558615 /nfs/dbraw/zinc/55/86/15/409558615.db2.gz HIABHPKDGXMZNM-SNVBAGLBSA-N 1 3 273.381 -1.005 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)C1 ZINC000659715371 409564133 /nfs/dbraw/zinc/56/41/33/409564133.db2.gz ZNYDFQSYKSVOBY-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)C1 ZINC000659715370 409564940 /nfs/dbraw/zinc/56/49/40/409564940.db2.gz ZNYDFQSYKSVOBY-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO COCC[NH2+]CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965172 409522001 /nfs/dbraw/zinc/52/20/01/409522001.db2.gz PWLWDPFUTMSTDS-NWDGAFQWSA-N 1 3 286.376 -1.317 20 0 CAADHO O=C(CCOC1C[NH2+]C1)N1CCOC2(CNC2)C1 ZINC000663492263 409620680 /nfs/dbraw/zinc/62/06/80/409620680.db2.gz QSJINTAKYNBXBH-UHFFFAOYSA-N 1 3 255.318 -1.434 20 0 CAADHO O=C(N1CCOC2(CNC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663217100 409621129 /nfs/dbraw/zinc/62/11/29/409621129.db2.gz CGFCSAZWTGQZEK-GWCFXTLKSA-N 1 3 267.329 -1.577 20 0 CAADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663491898 409622756 /nfs/dbraw/zinc/62/27/56/409622756.db2.gz MQERLFJKRPCTLY-NSHDSACASA-N 1 3 296.371 -1.555 20 0 CAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000659754586 409574366 /nfs/dbraw/zinc/57/43/66/409574366.db2.gz VQRJUDCOYXBUDH-LLVKDONJSA-N 1 3 288.392 -1.253 20 0 CAADHO CN(CC(=O)N1CCNCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243508 409586641 /nfs/dbraw/zinc/58/66/41/409586641.db2.gz MDWMSXCUKGYZII-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO COCCCN(C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662476901 409598732 /nfs/dbraw/zinc/59/87/32/409598732.db2.gz VPTVFXBTFQRVJJ-UHFFFAOYSA-N 1 3 284.364 -1.065 20 0 CAADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C1(O)CNC1 ZINC000662816107 409612278 /nfs/dbraw/zinc/61/22/78/409612278.db2.gz VZKKJRLVQBBLDG-UHFFFAOYSA-N 1 3 282.388 -1.347 20 0 CAADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)C1(O)CNC1 ZINC000662816107 409612284 /nfs/dbraw/zinc/61/22/84/409612284.db2.gz VZKKJRLVQBBLDG-UHFFFAOYSA-N 1 3 282.388 -1.347 20 0 CAADHO C[NH+](C)CCn1ccc(NC(=O)COC2CNC2)n1 ZINC000430866031 409644741 /nfs/dbraw/zinc/64/47/41/409644741.db2.gz FTRCAEBREUKCKJ-UHFFFAOYSA-N 1 3 267.333 -0.628 20 0 CAADHO CNC(=O)NC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000071150332 176045341 /nfs/dbraw/zinc/04/53/41/176045341.db2.gz GNCSFBWADDNNGI-UHFFFAOYSA-N 1 3 271.365 -1.331 20 0 CAADHO C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000347704995 226240133 /nfs/dbraw/zinc/24/01/33/226240133.db2.gz WAYUQGLDLHXQCH-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO CN(C)CCNC(=O)COCC(=O)NCC[NH+](C)C ZINC000347963840 226389766 /nfs/dbraw/zinc/38/97/66/226389766.db2.gz KETMTKSZWNBRST-UHFFFAOYSA-N 1 3 274.365 -1.641 20 0 CAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH3+] ZINC000419819211 230256452 /nfs/dbraw/zinc/25/64/52/230256452.db2.gz PRYIKOZEORELKR-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000424001222 230279270 /nfs/dbraw/zinc/27/92/70/230279270.db2.gz GSEPJQJQQLMIFP-SNVBAGLBSA-N 1 3 256.350 -1.186 20 0 CAADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncc(=O)[nH]1 ZINC001196164523 782028420 /nfs/dbraw/zinc/02/84/20/782028420.db2.gz PWOWEAXCDYMTFS-UHFFFAOYSA-N 1 3 252.278 -1.156 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CNCCO1)C[NH+]1CCN(C)CC1 ZINC000431012287 230310570 /nfs/dbraw/zinc/31/05/70/230310570.db2.gz ABFJCIIYIHKION-OLZOCXBDSA-N 1 3 284.404 -1.026 20 0 CAADHO CC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[NH2+]C1 ZINC000517588056 269089030 /nfs/dbraw/zinc/08/90/30/269089030.db2.gz HBJLDPSNKAEBJD-RKDXNWHRSA-N 1 3 252.318 -1.634 20 0 CAADHO CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000521464357 269089481 /nfs/dbraw/zinc/08/94/81/269089481.db2.gz SWOZVCBMRCWUMX-NXEZZACHSA-N 1 3 269.349 -1.451 20 0 CAADHO O=C(C[C@H]1CNCCO1)NCCCN1CC[NH2+]CC1 ZINC000519823789 269089554 /nfs/dbraw/zinc/08/95/54/269089554.db2.gz IVMAUZFFUSYKNH-LBPRGKRZSA-N 1 3 270.377 -1.224 20 0 CAADHO CN(CCN1CC[NH2+]CC1)CC(=O)N1CCNCC1 ZINC000519827759 269089705 /nfs/dbraw/zinc/08/97/05/269089705.db2.gz UQKWTAYOOQOQNV-UHFFFAOYSA-N 1 3 269.393 -1.745 20 0 CAADHO O=C(C[C@@H]1CNCCO1)NCCCN1CC[NH2+]CC1 ZINC000519823780 269089711 /nfs/dbraw/zinc/08/97/11/269089711.db2.gz IVMAUZFFUSYKNH-GFCCVEGCSA-N 1 3 270.377 -1.224 20 0 CAADHO CN(CCCN(C)CC(=O)NC(N)=O)CC[NH+](C)C ZINC000344076897 289132240 /nfs/dbraw/zinc/13/22/40/289132240.db2.gz WCJOWDLVLXCAQG-UHFFFAOYSA-N 1 3 273.381 -1.003 20 0 CAADHO C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570818129 327621344 /nfs/dbraw/zinc/62/13/44/327621344.db2.gz LRZXHZXBLZTCOB-UTLUCORTSA-N 1 3 269.349 -1.465 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3CC[NH2+]CC3)CCN2C1=O ZINC000563451757 328066261 /nfs/dbraw/zinc/06/62/61/328066261.db2.gz NMMRHBYMJZSJNK-NWDGAFQWSA-N 1 3 295.387 -1.061 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3CC[NH2+]CC3)CCN2C1=O ZINC000563451756 328066321 /nfs/dbraw/zinc/06/63/21/328066321.db2.gz NMMRHBYMJZSJNK-NEPJUHHUSA-N 1 3 295.387 -1.061 20 0 CAADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563452136 328066358 /nfs/dbraw/zinc/06/63/58/328066358.db2.gz SESZPFYZXXWDIO-GMTAPVOTSA-N 1 3 283.376 -1.077 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000563442786 328066735 /nfs/dbraw/zinc/06/67/35/328066735.db2.gz UEEVRUMNNMPDBB-MXWKQRLJSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000563442788 328066738 /nfs/dbraw/zinc/06/67/38/328066738.db2.gz UEEVRUMNNMPDBB-VWYCJHECSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[NH2+]C[C@H]3CCCO3)CCN2C1=O ZINC000575763592 328123321 /nfs/dbraw/zinc/12/33/21/328123321.db2.gz WPBWWIUHKSVPOJ-QJPTWQEYSA-N 1 3 296.371 -1.475 20 0 CAADHO COC[C@@]1(CNC(=O)COC2CNC2)CCC[NH2+]1 ZINC000571639931 328156387 /nfs/dbraw/zinc/15/63/87/328156387.db2.gz OFEAKQIFDMHWLH-LBPRGKRZSA-N 1 3 257.334 -1.140 20 0 CAADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571658425 328314861 /nfs/dbraw/zinc/31/48/61/328314861.db2.gz HRAJHDYBCGJQEO-VLEAKVRGSA-N 1 3 266.345 -1.245 20 0 CAADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297321 327000694 /nfs/dbraw/zinc/00/06/94/327000694.db2.gz LKUDQGIVCSAYSL-UHFFFAOYSA-N 1 3 254.334 -1.373 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569356531 327162232 /nfs/dbraw/zinc/16/22/32/327162232.db2.gz FFXDQJRKVYMPRS-DBIOUOCHSA-N 1 3 266.345 -1.388 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569356532 327162266 /nfs/dbraw/zinc/16/22/66/327162266.db2.gz FFXDQJRKVYMPRS-GWOFURMSSA-N 1 3 266.345 -1.388 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569356533 327162288 /nfs/dbraw/zinc/16/22/88/327162288.db2.gz FFXDQJRKVYMPRS-LMLFDSFASA-N 1 3 266.345 -1.388 20 0 CAADHO NC(C(=O)NCCN1CC[NH2+]CC1)C(F)(F)F ZINC000569454458 327179767 /nfs/dbraw/zinc/17/97/67/327179767.db2.gz JLIURFGULWMMSA-SSDOTTSWSA-N 1 3 254.256 -1.103 20 0 CAADHO CC[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573699352 327252148 /nfs/dbraw/zinc/25/21/48/327252148.db2.gz HEQULIYEDIMNQT-OUAUKWLOSA-N 1 3 283.376 -1.062 20 0 CAADHO CC[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573699353 327252231 /nfs/dbraw/zinc/25/22/31/327252231.db2.gz HEQULIYEDIMNQT-VWYCJHECSA-N 1 3 283.376 -1.062 20 0 CAADHO CC[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573699351 327252655 /nfs/dbraw/zinc/25/26/55/327252655.db2.gz HEQULIYEDIMNQT-MXWKQRLJSA-N 1 3 283.376 -1.062 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583382296 327336044 /nfs/dbraw/zinc/33/60/44/327336044.db2.gz UAQBKFFLKHSSPS-PWSUYJOCSA-N 1 3 285.392 -1.894 20 0 CAADHO CN(CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1 ZINC000561239518 327378200 /nfs/dbraw/zinc/37/82/00/327378200.db2.gz HARATJAJYWNNNV-GFCCVEGCSA-N 1 3 297.403 -1.702 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000569625020 327388987 /nfs/dbraw/zinc/38/89/87/327388987.db2.gz IXJGZUUBHVFWHX-UHFFFAOYSA-N 1 3 288.392 -1.122 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)CC3(C[NH3+])CC3)CCN2C1=O ZINC000566495201 327398990 /nfs/dbraw/zinc/39/89/90/327398990.db2.gz DJNWXWRQDZIGFP-VHSXEESVSA-N 1 3 266.345 -1.114 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495876 327399376 /nfs/dbraw/zinc/39/93/76/327399376.db2.gz LNNYDEDSUYKFCI-HBNTYKKESA-N 1 3 298.412 -1.148 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495875 327399439 /nfs/dbraw/zinc/39/94/39/327399439.db2.gz LNNYDEDSUYKFCI-GMTAPVOTSA-N 1 3 298.412 -1.148 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000566573045 327413588 /nfs/dbraw/zinc/41/35/88/327413588.db2.gz VYMXBXYCCPGPCY-KWBADKCTSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]([NH3+])C3CC3)CCN2C1=O ZINC000569989684 327560706 /nfs/dbraw/zinc/56/07/06/327560706.db2.gz PAVYSLZKDKQMEN-HBNTYKKESA-N 1 3 281.360 -1.323 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528846 327598231 /nfs/dbraw/zinc/59/82/31/327598231.db2.gz KHMWURIIKMXUQI-IJLUTSLNSA-N 1 3 295.387 -1.061 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617474 329118542 /nfs/dbraw/zinc/11/85/42/329118542.db2.gz PNYCJXONHWPSIF-HBNTYKKESA-N 1 3 281.360 -1.308 20 0 CAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CNC1 ZINC000582715720 329129550 /nfs/dbraw/zinc/12/95/50/329129550.db2.gz SJRNXVOTBHXVBS-JTQLQIEISA-N 1 3 268.361 -1.125 20 0 CAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CNC1 ZINC000582715720 329129552 /nfs/dbraw/zinc/12/95/52/329129552.db2.gz SJRNXVOTBHXVBS-JTQLQIEISA-N 1 3 268.361 -1.125 20 0 CAADHO COC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000583274129 329419195 /nfs/dbraw/zinc/41/91/95/329419195.db2.gz OBXYVOGZZISXDJ-WDMOLILDSA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764565 329476014 /nfs/dbraw/zinc/47/60/14/329476014.db2.gz MGIVGOIZXYNELI-AEJSXWLSSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764567 329476119 /nfs/dbraw/zinc/47/61/19/329476119.db2.gz MGIVGOIZXYNELI-IVZWLZJFSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893948 329928534 /nfs/dbraw/zinc/92/85/34/329928534.db2.gz BFMFYJPCOKPPMY-OUAUKWLOSA-N 1 3 266.345 -1.101 20 0 CAADHO NC(=O)NC(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000575401078 335100883 /nfs/dbraw/zinc/10/08/83/335100883.db2.gz GLUPDBOWUKQQEE-VIFPVBQESA-N 1 3 258.322 -1.382 20 0 CAADHO COCCNCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569240263 334863350 /nfs/dbraw/zinc/86/33/50/334863350.db2.gz MCBMOSFDPLFMMR-GFCCVEGCSA-N 1 3 270.377 -1.272 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[NH2+]C[C@H]3CCCO3)CCN2C1=O ZINC000575763591 335113493 /nfs/dbraw/zinc/11/34/93/335113493.db2.gz WPBWWIUHKSVPOJ-IJLUTSLNSA-N 1 3 296.371 -1.475 20 0 CAADHO [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)CCCO1 ZINC000572524318 333185122 /nfs/dbraw/zinc/18/51/22/333185122.db2.gz CSWYMHOZRLHSNV-LBPRGKRZSA-N 1 3 270.377 -1.142 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576219286 335172031 /nfs/dbraw/zinc/17/20/31/335172031.db2.gz MZMVGHXODYKDDA-NSHDSACASA-N 1 3 285.392 -1.892 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349382 334154172 /nfs/dbraw/zinc/15/41/72/334154172.db2.gz LBOLRFDULWOQTF-ZJUUUORDSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349380 334154188 /nfs/dbraw/zinc/15/41/88/334154188.db2.gz LBOLRFDULWOQTF-UWVGGRQHSA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349381 334154373 /nfs/dbraw/zinc/15/43/73/334154373.db2.gz LBOLRFDULWOQTF-VHSXEESVSA-N 1 3 252.318 -1.491 20 0 CAADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000564947321 334529900 /nfs/dbraw/zinc/52/99/00/334529900.db2.gz JXVICPIDWBOSLJ-SNVBAGLBSA-N 1 3 284.360 -1.712 20 0 CAADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cn[nH]c1=O ZINC000152970993 334533647 /nfs/dbraw/zinc/53/36/47/334533647.db2.gz SDMMYANXGIVKTP-UHFFFAOYSA-N 1 3 284.364 -1.477 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565251428 334547989 /nfs/dbraw/zinc/54/79/89/334547989.db2.gz VXPPNMWHOUDIDB-KXNHARMFSA-N 1 3 295.387 -1.062 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565251427 334548055 /nfs/dbraw/zinc/54/80/55/334548055.db2.gz VXPPNMWHOUDIDB-KKOKHZNYSA-N 1 3 295.387 -1.062 20 0 CAADHO COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565669680 334586898 /nfs/dbraw/zinc/58/68/98/334586898.db2.gz HUHGCYHCMIQZPF-GHMZBOCLSA-N 1 3 299.375 -1.824 20 0 CAADHO CO[C@H](CN)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581041 334736622 /nfs/dbraw/zinc/73/66/22/334736622.db2.gz OAVIHOQGILZSNI-RKDXNWHRSA-N 1 3 298.309 -1.088 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000567645668 334745533 /nfs/dbraw/zinc/74/55/33/334745533.db2.gz OYULVMXPDVZKHW-LBPRGKRZSA-N 1 3 299.419 -1.502 20 0 CAADHO CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267404 334810632 /nfs/dbraw/zinc/81/06/32/334810632.db2.gz FZBRBYDIWNLFIW-UWVGGRQHSA-N 1 3 254.334 -1.245 20 0 CAADHO CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267406 334810723 /nfs/dbraw/zinc/81/07/23/334810723.db2.gz FZBRBYDIWNLFIW-ZJUUUORDSA-N 1 3 254.334 -1.245 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287619 334812601 /nfs/dbraw/zinc/81/26/01/334812601.db2.gz DYWZEKPSBDCCIC-NZFPMDFQSA-N 1 3 279.344 -1.842 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000573121769 334910512 /nfs/dbraw/zinc/91/05/12/334910512.db2.gz RGRONCLUIPLCNW-ONGXEEELSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000576598479 335224988 /nfs/dbraw/zinc/22/49/88/335224988.db2.gz NVQMTIJDNLTKMW-GIPNMCIBSA-N 1 3 266.345 -1.101 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576599674 335225232 /nfs/dbraw/zinc/22/52/32/335225232.db2.gz LGDWDFSAZAEPQH-RHYQMDGZSA-N 1 3 295.387 -1.062 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576599673 335225318 /nfs/dbraw/zinc/22/53/18/335225318.db2.gz LGDWDFSAZAEPQH-KXNHARMFSA-N 1 3 295.387 -1.062 20 0 CAADHO [NH3+]CCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000580549525 335276704 /nfs/dbraw/zinc/27/67/04/335276704.db2.gz QMIUJFAAGQMVNX-UHFFFAOYSA-N 1 3 253.310 -1.108 20 0 CAADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578454443 335637269 /nfs/dbraw/zinc/63/72/69/335637269.db2.gz ZHHONNRISCOPTN-DCAQKATOSA-N 1 3 283.376 -1.205 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006824 335699547 /nfs/dbraw/zinc/69/95/47/335699547.db2.gz SJPRHYZABBIWJH-QWRGUYRKSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006822 335699731 /nfs/dbraw/zinc/69/97/31/335699731.db2.gz SJPRHYZABBIWJH-GHMZBOCLSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496264 335774664 /nfs/dbraw/zinc/77/46/64/335774664.db2.gz BFMFYJPCOKPPMY-MXWKQRLJSA-N 1 3 266.345 -1.101 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000581727223 336138698 /nfs/dbraw/zinc/13/86/98/336138698.db2.gz RTSIMONDTMPGHX-ONGXEEELSA-N 1 3 256.350 -1.061 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581885350 336159665 /nfs/dbraw/zinc/15/96/65/336159665.db2.gz URYIUGSCFPLLHA-GISOBZBCSA-N 1 3 254.334 -1.580 20 0 CAADHO CC1CCN(CCNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000581993448 336186592 /nfs/dbraw/zinc/18/65/92/336186592.db2.gz VLTKPSKHVGYLFR-UHFFFAOYSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001202057172 782110468 /nfs/dbraw/zinc/11/04/68/782110468.db2.gz DOQGQLBZYDQGAY-VXGBXAGGSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001202057172 782110475 /nfs/dbraw/zinc/11/04/75/782110475.db2.gz DOQGQLBZYDQGAY-VXGBXAGGSA-N 1 3 298.387 -1.370 20 0 CAADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923634060 782122838 /nfs/dbraw/zinc/12/28/38/782122838.db2.gz NEXDXLZDAALZKT-VIFPVBQESA-N 1 3 264.351 -2.204 20 0 CAADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274563749 782151803 /nfs/dbraw/zinc/15/18/03/782151803.db2.gz BGXWFCPZGURRMX-GXTWGEPZSA-N 1 3 285.388 -1.174 20 0 CAADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274563749 782151807 /nfs/dbraw/zinc/15/18/07/782151807.db2.gz BGXWFCPZGURRMX-GXTWGEPZSA-N 1 3 285.388 -1.174 20 0 CAADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@H]1C[NH3+] ZINC000876948995 582263794 /nfs/dbraw/zinc/26/37/94/582263794.db2.gz NLRHRNPYVLYKSQ-OUAUKWLOSA-N 1 3 258.366 -1.303 20 0 CAADHO COCCNCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566007944 518061068 /nfs/dbraw/zinc/06/10/68/518061068.db2.gz ARQSKMVAPTUVCR-LBPRGKRZSA-N 1 3 270.377 -1.272 20 0 CAADHO CCN(CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419509188 528481062 /nfs/dbraw/zinc/48/10/62/528481062.db2.gz DMERUFPAVPWTAX-LBPRGKRZSA-N 1 3 298.387 -1.227 20 0 CAADHO CC(C)Nc1nc(NCCO)nc(NCCCC[NH3+])n1 ZINC000420230246 529112018 /nfs/dbraw/zinc/11/20/18/529112018.db2.gz IKFHQEZFWNTVPJ-UHFFFAOYSA-N 1 3 283.380 -1.487 20 0 CAADHO [NH3+]CCOCCN(CCO)CCN1CCOCC1 ZINC000357099083 545507507 /nfs/dbraw/zinc/50/75/07/545507507.db2.gz CJRSFSTZGFCQIZ-UHFFFAOYSA-N 1 3 261.366 -1.412 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541249 /nfs/dbraw/zinc/54/12/49/545541249.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 1 3 268.361 -1.011 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541250 /nfs/dbraw/zinc/54/12/50/545541250.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 1 3 268.361 -1.011 20 0 CAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC000582600393 545544736 /nfs/dbraw/zinc/54/47/36/545544736.db2.gz GIPFGGUGLARQJQ-NDBYEHHHSA-N 1 3 292.383 -1.031 20 0 CAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000659713650 545545305 /nfs/dbraw/zinc/54/53/05/545545305.db2.gz GXKFVWQBKOPVIH-LBPRGKRZSA-N 1 3 298.387 -1.356 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662923418 545581400 /nfs/dbraw/zinc/58/14/00/545581400.db2.gz ZYARJIOAUDUOQA-UHFFFAOYSA-N 1 3 268.361 -1.044 20 0 CAADHO CNS(=O)(=O)CCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000634727048 582109761 /nfs/dbraw/zinc/10/97/61/582109761.db2.gz JGLSCMRDRNWXFK-LLVKDONJSA-N 1 3 279.406 -1.030 20 0 CAADHO CNS(=O)(=O)CCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634727048 582109762 /nfs/dbraw/zinc/10/97/62/582109762.db2.gz JGLSCMRDRNWXFK-LLVKDONJSA-N 1 3 279.406 -1.030 20 0 CAADHO CN1CCC(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC000895435323 582115321 /nfs/dbraw/zinc/11/53/21/582115321.db2.gz ZQTAEDGLFZVSGK-GHMZBOCLSA-N 1 3 268.361 -1.153 20 0 CAADHO CN1CCC(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC000895435325 582115363 /nfs/dbraw/zinc/11/53/63/582115363.db2.gz ZQTAEDGLFZVSGK-QWRGUYRKSA-N 1 3 268.361 -1.153 20 0 CAADHO O=C(CCOC1CNC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363855 582123583 /nfs/dbraw/zinc/12/35/83/582123583.db2.gz CMQJDPZWWSABTM-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO O=C(NCCN1CC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000832393711 582204378 /nfs/dbraw/zinc/20/43/78/582204378.db2.gz ZZNMUEUCPOYSIP-UHFFFAOYSA-N 1 3 278.360 -1.310 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCO1)c1[nH]nc2c1CNCC2 ZINC000842511878 582212948 /nfs/dbraw/zinc/21/29/48/582212948.db2.gz ZPHJIWBYVAPFDY-QMMMGPOBSA-N 1 3 265.317 -1.226 20 0 CAADHO CCNCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843325433 582213782 /nfs/dbraw/zinc/21/37/82/582213782.db2.gz NVOONBXSQDVOOW-SNVBAGLBSA-N 1 3 256.350 -1.091 20 0 CAADHO CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000843356717 582213941 /nfs/dbraw/zinc/21/39/41/582213941.db2.gz WTPAAPKKYIFGOT-RYUDHWBXSA-N 1 3 270.377 -1.144 20 0 CAADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000843497164 582215004 /nfs/dbraw/zinc/21/50/04/582215004.db2.gz FTBGFOZANAJDPE-QWRGUYRKSA-N 1 3 257.334 -1.140 20 0 CAADHO CN1CC[C@@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019238 582227342 /nfs/dbraw/zinc/22/73/42/582227342.db2.gz VJJLXYBEJZIURK-CQSZACIVSA-N 1 3 299.419 -1.111 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851644091 582228896 /nfs/dbraw/zinc/22/88/96/582228896.db2.gz JZZURFOHPVRDNS-ZJUUUORDSA-N 1 3 256.350 -1.188 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851684553 582228963 /nfs/dbraw/zinc/22/89/63/582228963.db2.gz JAPXUUQGURTVKS-QJPTWQEYSA-N 1 3 298.387 -1.310 20 0 CAADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686001 582229167 /nfs/dbraw/zinc/22/91/67/582229167.db2.gz YIPVSKUINVKVRN-TUAOUCFPSA-N 1 3 296.371 -1.556 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692280 582229472 /nfs/dbraw/zinc/22/94/72/582229472.db2.gz XZOXBRGUBRQMRO-LLVKDONJSA-N 1 3 286.376 -1.634 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)=NO1 ZINC000852795590 582230595 /nfs/dbraw/zinc/23/05/95/582230595.db2.gz XVGFLDUKXRLIOA-ZJUUUORDSA-N 1 3 297.359 -1.597 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)=NO1 ZINC000852795587 582230602 /nfs/dbraw/zinc/23/06/02/582230602.db2.gz XVGFLDUKXRLIOA-UWVGGRQHSA-N 1 3 297.359 -1.597 20 0 CAADHO NC[C@@H]1CC(C(=O)NCCCN2CC[NH2+]CC2)=NO1 ZINC000852789669 582230623 /nfs/dbraw/zinc/23/06/23/582230623.db2.gz KRSVOBYENCYTMB-JTQLQIEISA-N 1 3 269.349 -1.499 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852800941 582230837 /nfs/dbraw/zinc/23/08/37/582230837.db2.gz UVKDTHXHHXPXMB-OYNCUSHFSA-N 1 3 256.306 -1.335 20 0 CAADHO COCCN1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867525 582231437 /nfs/dbraw/zinc/23/14/37/582231437.db2.gz XCBNDOJSCVXVPT-NXEZZACHSA-N 1 3 270.333 -1.073 20 0 CAADHO COCCN1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867527 582231460 /nfs/dbraw/zinc/23/14/60/582231460.db2.gz XCBNDOJSCVXVPT-UWVGGRQHSA-N 1 3 270.333 -1.073 20 0 CAADHO COC[C@]1(CNC(=O)C2=NO[C@H](CN)C2)CCC[NH2+]1 ZINC000852879400 582231754 /nfs/dbraw/zinc/23/17/54/582231754.db2.gz DUGQJHMNCCPTJV-JOYOIKCWSA-N 1 3 270.333 -1.025 20 0 CAADHO NC[C@H]1CC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880243 582231791 /nfs/dbraw/zinc/23/17/91/582231791.db2.gz KZYGYPLQGDTJHJ-GHMZBOCLSA-N 1 3 281.360 -1.404 20 0 CAADHO CCO[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C[NH3+] ZINC000852896284 582232212 /nfs/dbraw/zinc/23/22/12/582232212.db2.gz XEHOOQCANATQEX-FXPVBKGRSA-N 1 3 270.333 -1.088 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861755039 582244866 /nfs/dbraw/zinc/24/48/66/582244866.db2.gz LYWJHIUHNPYFHA-VXGBXAGGSA-N 1 3 298.387 -1.227 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861754775 582244877 /nfs/dbraw/zinc/24/48/77/582244877.db2.gz JOQFNVUESYFJML-TUAOUCFPSA-N 1 3 298.387 -1.229 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861754709 582244906 /nfs/dbraw/zinc/24/49/06/582244906.db2.gz JOQFNVUESYFJML-SRVKXCTJSA-N 1 3 298.387 -1.229 20 0 CAADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756374 582245031 /nfs/dbraw/zinc/24/50/31/582245031.db2.gz YIPVSKUINVKVRN-GRYCIOLGSA-N 1 3 296.371 -1.556 20 0 CAADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756376 582245042 /nfs/dbraw/zinc/24/50/42/582245042.db2.gz YIPVSKUINVKVRN-UTUOFQBUSA-N 1 3 296.371 -1.556 20 0 CAADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701654 582253976 /nfs/dbraw/zinc/25/39/76/582253976.db2.gz LVDNPESECWVCTP-VDDIYKPWSA-N 1 3 255.318 -1.497 20 0 CAADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701654 582253978 /nfs/dbraw/zinc/25/39/78/582253978.db2.gz LVDNPESECWVCTP-VDDIYKPWSA-N 1 3 255.318 -1.497 20 0 CAADHO CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](CN)C1 ZINC000876541583 582262563 /nfs/dbraw/zinc/26/25/63/582262563.db2.gz ATFFKUFPDULYHF-VGMNWLOBSA-N 1 3 262.304 -1.072 20 0 CAADHO CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850962 582263468 /nfs/dbraw/zinc/26/34/68/582263468.db2.gz GCTXKNVOEGCGOZ-NEPJUHHUSA-N 1 3 269.393 -1.619 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000877029446 582264051 /nfs/dbraw/zinc/26/40/51/582264051.db2.gz CTCXGDWKEXDNMA-SECBINFHSA-N 1 3 258.322 -1.216 20 0 CAADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CN1CCNCC1)C2 ZINC000877371587 582265123 /nfs/dbraw/zinc/26/51/23/582265123.db2.gz SWCGBFNFDSAOSM-WCQYABFASA-N 1 3 252.362 -1.041 20 0 CAADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN)CC[C@@H]21 ZINC000884673411 582275809 /nfs/dbraw/zinc/27/58/09/582275809.db2.gz WFSQRFLCVZLXIW-UWVGGRQHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN)CC[C@@H]21 ZINC000884673411 582275810 /nfs/dbraw/zinc/27/58/10/582275810.db2.gz WFSQRFLCVZLXIW-UWVGGRQHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000884693197 582276271 /nfs/dbraw/zinc/27/62/71/582276271.db2.gz QADVWOOBMMWUMR-GXSJLCMTSA-N 1 3 266.345 -1.373 20 0 CAADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3CNC3)CC[C@H]21 ZINC000884693197 582276272 /nfs/dbraw/zinc/27/62/72/582276272.db2.gz QADVWOOBMMWUMR-GXSJLCMTSA-N 1 3 266.345 -1.373 20 0 CAADHO CN(C/C=C/C[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515553 582278839 /nfs/dbraw/zinc/27/88/39/582278839.db2.gz NFYVSWAXYHCOJZ-DNLLBMQLSA-N 1 3 286.372 -1.074 20 0 CAADHO CN(C/C=C/C[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515553 582278840 /nfs/dbraw/zinc/27/88/40/582278840.db2.gz NFYVSWAXYHCOJZ-DNLLBMQLSA-N 1 3 286.372 -1.074 20 0 CAADHO CN(C/C=C\C[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515554 582278863 /nfs/dbraw/zinc/27/88/63/582278863.db2.gz NFYVSWAXYHCOJZ-UJESFUDVSA-N 1 3 286.372 -1.074 20 0 CAADHO CN(C/C=C\C[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515554 582278864 /nfs/dbraw/zinc/27/88/64/582278864.db2.gz NFYVSWAXYHCOJZ-UJESFUDVSA-N 1 3 286.372 -1.074 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084872 582280742 /nfs/dbraw/zinc/28/07/42/582280742.db2.gz QUZUUQFJOVSTCX-SNVBAGLBSA-N 1 3 256.350 -1.044 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)CC1 ZINC000958375789 616167094 /nfs/dbraw/zinc/16/70/94/616167094.db2.gz WCFMDILIOXPMIS-STQMWFEESA-N 1 3 285.388 -1.271 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)CC1 ZINC000958375787 616167170 /nfs/dbraw/zinc/16/71/70/616167170.db2.gz WCFMDILIOXPMIS-OLZOCXBDSA-N 1 3 285.388 -1.271 20 0 CAADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000970357078 616175020 /nfs/dbraw/zinc/17/50/20/616175020.db2.gz LNTANVWOHBBQGI-LLVKDONJSA-N 1 3 298.387 -1.227 20 0 CAADHO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639342 656811281 /nfs/dbraw/zinc/81/12/81/656811281.db2.gz LGYIOPPQTNMBJK-ZJUUUORDSA-N 1 3 262.379 -1.134 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019772993 656068559 /nfs/dbraw/zinc/06/85/59/656068559.db2.gz ZBISBSSVBYUPKD-UWVGGRQHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019772993 656068561 /nfs/dbraw/zinc/06/85/61/656068561.db2.gz ZBISBSSVBYUPKD-UWVGGRQHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145928 656072104 /nfs/dbraw/zinc/07/21/04/656072104.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 1 3 292.383 -1.127 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145928 656072108 /nfs/dbraw/zinc/07/21/08/656072108.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 1 3 292.383 -1.127 20 0 CAADHO [NH3+]CCOCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000093232422 656081861 /nfs/dbraw/zinc/08/18/61/656081861.db2.gz WCAVHKWWWGGBTQ-QWRGUYRKSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)N1CCNCC1 ZINC000903584523 656185099 /nfs/dbraw/zinc/18/50/99/656185099.db2.gz KIOUQZQVZWHSBI-MNOVXSKESA-N 1 3 274.390 -1.050 20 0 CAADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CCNCC1)C2 ZINC000903580418 656185150 /nfs/dbraw/zinc/18/51/50/656185150.db2.gz XJPRJNMDESHUGM-DCAQKATOSA-N 1 3 274.390 -1.052 20 0 CAADHO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)C1CNC1 ZINC000903538031 656185368 /nfs/dbraw/zinc/18/53/68/656185368.db2.gz LGPKBCJYVYCODG-UHFFFAOYSA-N 1 3 263.363 -1.272 20 0 CAADHO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)N1CCNCC1 ZINC000903609489 656185843 /nfs/dbraw/zinc/18/58/43/656185843.db2.gz HHVHTUBEUSMYBX-QWRGUYRKSA-N 1 3 274.390 -1.132 20 0 CAADHO C[C@](Cn1cccn1)(NCCN1CC[NH2+]CC1)C(N)=O ZINC000903829868 656186853 /nfs/dbraw/zinc/18/68/53/656186853.db2.gz MXTAFMBBPCGQFC-CYBMUJFWSA-N 1 3 280.376 -1.378 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC000905342599 656190968 /nfs/dbraw/zinc/19/09/68/656190968.db2.gz CLXRRVSAVYPMDD-LLVKDONJSA-N 1 3 277.390 -1.106 20 0 CAADHO CN(C)C[C@H](CO)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908201076 656210672 /nfs/dbraw/zinc/21/06/72/656210672.db2.gz NTZFMKVFXKKFIA-YPMHNXCESA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C)C[C@H](CO)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908201076 656210675 /nfs/dbraw/zinc/21/06/75/656210675.db2.gz NTZFMKVFXKKFIA-YPMHNXCESA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C)C[C@@H](CO)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908201075 656210854 /nfs/dbraw/zinc/21/08/54/656210854.db2.gz NTZFMKVFXKKFIA-WCQYABFASA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C)C[C@@H](CO)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908201075 656210857 /nfs/dbraw/zinc/21/08/57/656210857.db2.gz NTZFMKVFXKKFIA-WCQYABFASA-N 1 3 273.377 -1.128 20 0 CAADHO CN(CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911052100 656232687 /nfs/dbraw/zinc/23/26/87/656232687.db2.gz BBNMYGIUUTVQTL-UHFFFAOYSA-N 1 3 254.334 -1.196 20 0 CAADHO CN(CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000911054344 656232914 /nfs/dbraw/zinc/23/29/14/656232914.db2.gz VMIPJPQZRNLNCN-CQSZACIVSA-N 1 3 298.387 -1.491 20 0 CAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000911147836 656234749 /nfs/dbraw/zinc/23/47/49/656234749.db2.gz KKGMMMGMXZCPCE-MNOVXSKESA-N 1 3 296.371 -1.427 20 0 CAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000911147835 656235047 /nfs/dbraw/zinc/23/50/47/656235047.db2.gz KKGMMMGMXZCPCE-GHMZBOCLSA-N 1 3 296.371 -1.427 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC000911374601 656242953 /nfs/dbraw/zinc/24/29/53/656242953.db2.gz UAHVCBQGWIGPDS-NXEZZACHSA-N 1 3 256.350 -1.270 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CNCCN2C)CCO1 ZINC000911882244 656254814 /nfs/dbraw/zinc/25/48/14/656254814.db2.gz UIKDDWUIWRHHNL-GARJFASQSA-N 1 3 256.350 -1.535 20 0 CAADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170917 656272252 /nfs/dbraw/zinc/27/22/52/656272252.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170917 656272254 /nfs/dbraw/zinc/27/22/54/656272254.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170918 656273263 /nfs/dbraw/zinc/27/32/63/656273263.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170918 656273268 /nfs/dbraw/zinc/27/32/68/656273268.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351303 656281489 /nfs/dbraw/zinc/28/14/89/656281489.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351303 656281493 /nfs/dbraw/zinc/28/14/93/656281493.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351302 656281858 /nfs/dbraw/zinc/28/18/58/656281858.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351302 656281860 /nfs/dbraw/zinc/28/18/60/656281860.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351305 656281982 /nfs/dbraw/zinc/28/19/82/656281982.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351305 656281986 /nfs/dbraw/zinc/28/19/86/656281986.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 1 3 271.361 -1.376 20 0 CAADHO CO[C@@H](C[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000227389684 656309988 /nfs/dbraw/zinc/30/99/88/656309988.db2.gz LBURPIIUMLWYOC-VWYCJHECSA-N 1 3 257.334 -1.061 20 0 CAADHO CN(C)CC(=O)N[C@@H](CO)CNC(=O)C[NH+](C)C ZINC000913915838 656341951 /nfs/dbraw/zinc/34/19/51/656341951.db2.gz QBXIIFXCKLVRJY-SECBINFHSA-N 1 3 260.338 -2.297 20 0 CAADHO CN(C)CC(=O)NC[C@H](CO)NC(=O)C[NH+](C)C ZINC000913915838 656341953 /nfs/dbraw/zinc/34/19/53/656341953.db2.gz QBXIIFXCKLVRJY-SECBINFHSA-N 1 3 260.338 -2.297 20 0 CAADHO CC[NH2+]CCCNS(=O)(=O)N1CCNCC1 ZINC000923565774 656806928 /nfs/dbraw/zinc/80/69/28/656806928.db2.gz FSPMQMKHBZVNCK-UHFFFAOYSA-N 1 3 250.368 -1.274 20 0 CAADHO CN(CCN1CC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923571676 656807428 /nfs/dbraw/zinc/80/74/28/656807428.db2.gz YKGQEFWSCQQJRN-UHFFFAOYSA-N 1 3 262.379 -1.875 20 0 CAADHO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923635732 656811558 /nfs/dbraw/zinc/81/15/58/656811558.db2.gz PKBQPPHWXWPIGX-NXEZZACHSA-N 1 3 262.379 -1.004 20 0 CAADHO O=S1(=O)NC[C@H]2CN(CC3CC[NH2+]CC3)CCN21 ZINC000923270639 656802774 /nfs/dbraw/zinc/80/27/74/656802774.db2.gz DRGCKPQKZCGILX-NSHDSACASA-N 1 3 274.390 -1.180 20 0 CAADHO O=S1(=O)NC[C@@H]2CN(CC3CC[NH2+]CC3)CCN21 ZINC000923270636 656802957 /nfs/dbraw/zinc/80/29/57/656802957.db2.gz DRGCKPQKZCGILX-LLVKDONJSA-N 1 3 274.390 -1.180 20 0 CAADHO CN1CCN(C(=O)CCN2CCNCC[NH2+]CC2)CC1 ZINC000923460948 656805101 /nfs/dbraw/zinc/80/51/01/656805101.db2.gz YFYVTIMIFVUVLB-UHFFFAOYSA-N 1 3 283.420 -1.355 20 0 CAADHO O=S1(=O)NC[C@@H]2CN(CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549094 656806100 /nfs/dbraw/zinc/80/61/00/656806100.db2.gz GHBRPDRTOUKBQU-GHMZBOCLSA-N 1 3 274.390 -1.180 20 0 CAADHO [NH3+]C[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923564660 656806897 /nfs/dbraw/zinc/80/68/97/656806897.db2.gz AZVLGPXCKIJIFP-SNVBAGLBSA-N 1 3 262.379 -1.050 20 0 CAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1[NH3+] ZINC000923568169 656806990 /nfs/dbraw/zinc/80/69/90/656806990.db2.gz FNUAUSOYEQDNFK-VHSXEESVSA-N 1 3 262.379 -1.195 20 0 CAADHO CN1CCN(S(=O)(=O)N2CCNCC2)[C@@H](C[NH3+])C1 ZINC000923578043 656807202 /nfs/dbraw/zinc/80/72/02/656807202.db2.gz XBXXTJOWECWRHY-JTQLQIEISA-N 1 3 277.394 -2.289 20 0 CAADHO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000923574084 656807461 /nfs/dbraw/zinc/80/74/61/656807461.db2.gz QZCKJAFAPHIVOX-JTQLQIEISA-N 1 3 262.379 -1.180 20 0 CAADHO C[NH+](C)C[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923611774 656809806 /nfs/dbraw/zinc/80/98/06/656809806.db2.gz JILQMCVUQGJPNI-VIFPVBQESA-N 1 3 263.363 -1.450 20 0 CAADHO C[NH+](C)C1CCN(CCNS(=O)(=O)C2CNC2)CC1 ZINC000923623472 656810659 /nfs/dbraw/zinc/81/06/59/656810659.db2.gz HXBBXJCYLXWNPK-UHFFFAOYSA-N 1 3 290.433 -1.096 20 0 CAADHO C[C@H](CCC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923643076 656811325 /nfs/dbraw/zinc/81/13/25/656811325.db2.gz ZLFVIMRSBMNNME-SECBINFHSA-N 1 3 250.368 -1.147 20 0 CAADHO O=S(=O)(NCC1=CC[NH2+]CC1)N1CCNCC1 ZINC000923638026 656811509 /nfs/dbraw/zinc/81/15/09/656811509.db2.gz ALOPRHYBFRGTNU-UHFFFAOYSA-N 1 3 260.363 -1.354 20 0 CAADHO C[NH2+][C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923636497 656811519 /nfs/dbraw/zinc/81/15/19/656811519.db2.gz MJCKOKFUIUVYGT-JTQLQIEISA-N 1 3 262.379 -1.180 20 0 CAADHO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640088 656811587 /nfs/dbraw/zinc/81/15/87/656811587.db2.gz XPBUJSSQXLJGQV-UWVGGRQHSA-N 1 3 262.379 -1.276 20 0 CAADHO C[C@@H](CCC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923643078 656811605 /nfs/dbraw/zinc/81/16/05/656811605.db2.gz ZLFVIMRSBMNNME-VIFPVBQESA-N 1 3 250.368 -1.147 20 0 CAADHO O=S(=O)(C1CNC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923640790 656811650 /nfs/dbraw/zinc/81/16/50/656811650.db2.gz MVDYHFVDVDXDFA-JTQLQIEISA-N 1 3 274.390 -1.733 20 0 CAADHO O=S(=O)(C1CNC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923640795 656811829 /nfs/dbraw/zinc/81/18/29/656811829.db2.gz MVDYHFVDVDXDFA-SNVBAGLBSA-N 1 3 274.390 -1.733 20 0 CAADHO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)N1CCNCC1 ZINC000923640197 656811891 /nfs/dbraw/zinc/81/18/91/656811891.db2.gz DENHQQXOMVMJMN-SNVBAGLBSA-N 1 3 262.379 -1.132 20 0 CAADHO O=S(=O)(C1CNC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923643838 656811898 /nfs/dbraw/zinc/81/18/98/656811898.db2.gz MWXGPWXNVUMOST-SNVBAGLBSA-N 1 3 274.390 -1.733 20 0 CAADHO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640089 656811910 /nfs/dbraw/zinc/81/19/10/656811910.db2.gz XPBUJSSQXLJGQV-VHSXEESVSA-N 1 3 262.379 -1.276 20 0 CAADHO O=S(=O)(NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000923648144 656812261 /nfs/dbraw/zinc/81/22/61/656812261.db2.gz QQOATTYXCREPER-NXEZZACHSA-N 1 3 263.363 -1.354 20 0 CAADHO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923651984 656812355 /nfs/dbraw/zinc/81/23/55/656812355.db2.gz JZPAXQBBWUUQDH-ZJUUUORDSA-N 1 3 262.379 -1.052 20 0 CAADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCNCC1 ZINC000923643883 656812419 /nfs/dbraw/zinc/81/24/19/656812419.db2.gz NIPQVULNBKTFFW-UWVGGRQHSA-N 1 3 280.369 -1.232 20 0 CAADHO COCC[NH2+]C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923652595 656812452 /nfs/dbraw/zinc/81/24/52/656812452.db2.gz MJMNLKVDKSKOSC-UHFFFAOYSA-N 1 3 277.390 -1.012 20 0 CAADHO O=S(=O)(NC[C@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC000923648147 656812463 /nfs/dbraw/zinc/81/24/63/656812463.db2.gz QQOATTYXCREPER-ZJUUUORDSA-N 1 3 263.363 -1.354 20 0 CAADHO O=S(=O)(NC[C@@H]1CNCCO1)[C@H]1CCC[NH2+]C1 ZINC000923648145 656812551 /nfs/dbraw/zinc/81/25/51/656812551.db2.gz QQOATTYXCREPER-UWVGGRQHSA-N 1 3 263.363 -1.354 20 0 CAADHO [NH3+]CC1(CCNS(=O)(=O)N2CCNCC2)CC1 ZINC000923651541 656812593 /nfs/dbraw/zinc/81/25/93/656812593.db2.gz GZBCPMDZXLAJJH-UHFFFAOYSA-N 1 3 262.379 -1.145 20 0 CAADHO CN(C1(C[NH3+])CCC1)S(=O)(=O)N1CCNCC1 ZINC000923648242 656812714 /nfs/dbraw/zinc/81/27/14/656812714.db2.gz ZCQQCRDQQHMNOB-UHFFFAOYSA-N 1 3 262.379 -1.050 20 0 CAADHO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923643937 656812725 /nfs/dbraw/zinc/81/27/25/656812725.db2.gz FAXVKACJBNYXLY-ZJUUUORDSA-N 1 3 262.379 -1.147 20 0 CAADHO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)N1CCNCC1 ZINC000923644500 656812778 /nfs/dbraw/zinc/81/27/78/656812778.db2.gz IDQWWGQGQXOYEL-JTQLQIEISA-N 1 3 278.378 -1.896 20 0 CAADHO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923662856 656813113 /nfs/dbraw/zinc/81/31/13/656813113.db2.gz TXVXSYOUSVOSIB-VHSXEESVSA-N 1 3 262.379 -1.134 20 0 CAADHO C[C@@H]1CC[C@@H](NS(=O)(=O)N2CCNCC2)C[NH2+]1 ZINC000923661649 656813225 /nfs/dbraw/zinc/81/32/25/656813225.db2.gz HIMMTPGPZHMCPS-NXEZZACHSA-N 1 3 262.379 -1.134 20 0 CAADHO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923659627 656813293 /nfs/dbraw/zinc/81/32/93/656813293.db2.gz OOEOFGUSCOWIMG-GHMZBOCLSA-N 1 3 274.390 -1.050 20 0 CAADHO CN(CCOCC[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923663220 656813347 /nfs/dbraw/zinc/81/33/47/656813347.db2.gz OSHAADUPQXZRFS-UHFFFAOYSA-N 1 3 266.367 -1.957 20 0 CAADHO CO[C@@H]1CN(S(=O)(=O)C2CNC2)[C@@](C)(C[NH3+])C1 ZINC000923661717 656813505 /nfs/dbraw/zinc/81/35/05/656813505.db2.gz IUZVPSVSSDYILI-WCBMZHEXSA-N 1 3 263.363 -1.274 20 0 CAADHO C[NH2+]CCOCCNS(=O)(=O)N1CCNCC1 ZINC000923661833 656813522 /nfs/dbraw/zinc/81/35/22/656813522.db2.gz NPXDLGSBAKGDAZ-UHFFFAOYSA-N 1 3 266.367 -2.038 20 0 CAADHO C[NH2+]CCOCCN(C)S(=O)(=O)N1CCNCC1 ZINC000923663567 656813579 /nfs/dbraw/zinc/81/35/79/656813579.db2.gz XIPNCKJUJCEIET-UHFFFAOYSA-N 1 3 280.394 -1.696 20 0 CAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923667047 656813644 /nfs/dbraw/zinc/81/36/44/656813644.db2.gz RGJKCGJXYYYRSC-NXEZZACHSA-N 1 3 262.379 -1.337 20 0 CAADHO C[NH2+]CCOCCN(C)S(=O)(=O)C1CNC1 ZINC000923662721 656813670 /nfs/dbraw/zinc/81/36/70/656813670.db2.gz RSWVXDKYHYTGBG-UHFFFAOYSA-N 1 3 251.352 -1.544 20 0 CAADHO CCO[C@@H](CNS(=O)(=O)C1CNC1)C[NH+](C)C ZINC000923675527 656814301 /nfs/dbraw/zinc/81/43/01/656814301.db2.gz CBFHSUXNZMEKPC-VIFPVBQESA-N 1 3 265.379 -1.156 20 0 CAADHO CC1(C)CN(S(=O)(=O)N2CCNCC2)C[C@@H]1[NH3+] ZINC000923678010 656814015 /nfs/dbraw/zinc/81/40/15/656814015.db2.gz QQAHMJHZOQQJLB-VIFPVBQESA-N 1 3 262.379 -1.195 20 0 CAADHO CCO[C@H](CNS(=O)(=O)C1CNC1)C[NH+](C)C ZINC000923675526 656814071 /nfs/dbraw/zinc/81/40/71/656814071.db2.gz CBFHSUXNZMEKPC-SECBINFHSA-N 1 3 265.379 -1.156 20 0 CAADHO O=S(=O)(NCCCCCN1CC[NH2+]CC1)C1CNC1 ZINC000923680168 656814188 /nfs/dbraw/zinc/81/41/88/656814188.db2.gz SPQBTTAQPYKSKT-UHFFFAOYSA-N 1 3 290.433 -1.047 20 0 CAADHO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CCNCC1 ZINC000923674597 656814217 /nfs/dbraw/zinc/81/42/17/656814217.db2.gz RRCWXBGOGRLPIP-JTQLQIEISA-N 1 3 262.379 -1.180 20 0 CAADHO [NH3+][C@]1(CO)CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923694559 656816018 /nfs/dbraw/zinc/81/60/18/656816018.db2.gz IZSFUSBSGSBVSY-SNVBAGLBSA-N 1 3 278.378 -2.078 20 0 CAADHO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923694556 656816146 /nfs/dbraw/zinc/81/61/46/656816146.db2.gz IZSFUSBSGSBVSY-JTQLQIEISA-N 1 3 278.378 -2.078 20 0 CAADHO [NH3+]CC[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923696830 656816321 /nfs/dbraw/zinc/81/63/21/656816321.db2.gz FKPXGCXBDZHGPA-JTQLQIEISA-N 1 3 262.379 -1.193 20 0 CAADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1[NH3+] ZINC000926294507 656821099 /nfs/dbraw/zinc/82/10/99/656821099.db2.gz ULRAHJDGINRPIP-NXEZZACHSA-N 1 3 256.350 -1.188 20 0 CAADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)C[C@H]1[NH3+] ZINC000926336641 656821619 /nfs/dbraw/zinc/82/16/19/656821619.db2.gz ZAAMOOHGSJICBZ-IJLUTSLNSA-N 1 3 298.387 -1.419 20 0 CAADHO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926332784 656821775 /nfs/dbraw/zinc/82/17/75/656821775.db2.gz ZQZVLBMKYSJBDH-GFCCVEGCSA-N 1 3 297.403 -1.830 20 0 CAADHO O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594542 656975622 /nfs/dbraw/zinc/97/56/22/656975622.db2.gz JOOFQWLNDAYBLT-RYUDHWBXSA-N 1 3 283.372 -1.517 20 0 CAADHO O=C(NC[C@H]1CN(CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594541 656975910 /nfs/dbraw/zinc/97/59/10/656975910.db2.gz JOOFQWLNDAYBLT-NWDGAFQWSA-N 1 3 283.372 -1.517 20 0 CAADHO O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594543 656976355 /nfs/dbraw/zinc/97/63/55/656976355.db2.gz JOOFQWLNDAYBLT-VXGBXAGGSA-N 1 3 283.372 -1.517 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114774160 782213470 /nfs/dbraw/zinc/21/34/70/782213470.db2.gz JCTGIAMAIGIPFS-SRRSOLGSSA-N 1 3 280.372 -1.127 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114774161 782213799 /nfs/dbraw/zinc/21/37/99/782213799.db2.gz JCTGIAMAIGIPFS-XZUYRWCXSA-N 1 3 280.372 -1.127 20 0 CAADHO [NH3+][C@@H]1CC[C@H](CN2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000903456334 782531463 /nfs/dbraw/zinc/53/14/63/782531463.db2.gz HAFNSSYGDMUGSO-AXFHLTTASA-N 1 3 266.345 -1.244 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001133290985 776773386 /nfs/dbraw/zinc/77/33/86/776773386.db2.gz GVIBAEQTIVEAIU-UHFFFAOYSA-N 1 3 259.310 -2.161 20 0 CAADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133285754 776773648 /nfs/dbraw/zinc/77/36/48/776773648.db2.gz HFZSLJZRFOCBEH-VIFPVBQESA-N 1 3 256.350 -1.092 20 0 CAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291718 776773749 /nfs/dbraw/zinc/77/37/49/776773749.db2.gz XKWYXCSCYZTQFI-SECBINFHSA-N 1 3 287.364 -1.512 20 0 CAADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001133285707 776774336 /nfs/dbraw/zinc/77/43/36/776774336.db2.gz DUTCGBPPTZUIAE-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO CN1CC[C@H](NCCNC(=O)CC[NH+](C)C)C1=O ZINC001133290970 776774424 /nfs/dbraw/zinc/77/44/24/776774424.db2.gz GMEKPIFEGCJXDH-JTQLQIEISA-N 1 3 256.350 -1.125 20 0 CAADHO CNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285781 776774489 /nfs/dbraw/zinc/77/44/89/776774489.db2.gz IKCJIHRIRDHEIU-UHFFFAOYSA-N 1 3 256.350 -1.220 20 0 CAADHO CN(C[C@@H](O)C[NH2+]CCO)C(=O)Cc1c[nH]cn1 ZINC001284447790 777944586 /nfs/dbraw/zinc/94/45/86/777944586.db2.gz WRGFDAFOSMRFAC-JTQLQIEISA-N 1 3 256.306 -1.647 20 0 CAADHO C[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001120517023 779639946 /nfs/dbraw/zinc/63/99/46/779639946.db2.gz OMLQSTROXFNUJO-UHFFFAOYSA-N 1 3 297.403 -1.782 20 0 CAADHO [NH3+]CCNCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122535660 779672432 /nfs/dbraw/zinc/67/24/32/779672432.db2.gz DSXULQIVFDNFBB-RYUDHWBXSA-N 1 3 270.377 -1.408 20 0 CAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161237264 779678186 /nfs/dbraw/zinc/67/81/86/779678186.db2.gz KFZANIVQYDOVIE-WDEREUQCSA-N 1 3 296.371 -1.889 20 0 CAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161237263 779678230 /nfs/dbraw/zinc/67/82/30/779678230.db2.gz KFZANIVQYDOVIE-QWRGUYRKSA-N 1 3 296.371 -1.889 20 0 CAADHO [NH3+]CCS(=O)(=O)N1CCOC[C@]2(CNCCO2)C1 ZINC001238999729 780526941 /nfs/dbraw/zinc/52/69/41/780526941.db2.gz LAGASYKPZKKXRJ-JTQLQIEISA-N 1 3 279.362 -2.034 20 0 CAADHO CN(C)C[C@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001238985571 780527535 /nfs/dbraw/zinc/52/75/35/780527535.db2.gz CYXUMBIEWBJVQN-VIFPVBQESA-N 1 3 251.352 -1.463 20 0 CAADHO NCCS(=O)(=O)N1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001239006622 780527664 /nfs/dbraw/zinc/52/76/64/780527664.db2.gz XKAKSOZVDPPOPN-SNVBAGLBSA-N 1 3 263.363 -1.271 20 0 CAADHO NCCS(=O)(=O)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238989207 780527870 /nfs/dbraw/zinc/52/78/70/780527870.db2.gz IROWXYUOUNGVBC-UHFFFAOYSA-N 1 3 262.379 -1.698 20 0 CAADHO NCCS(=O)(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001238997007 780527880 /nfs/dbraw/zinc/52/78/80/780527880.db2.gz JMJVFINIYIYDRB-UHFFFAOYSA-N 1 3 263.363 -1.271 20 0 CAADHO CCOC(=O)CN(CC[NH3+])S(=O)(=O)CCN ZINC001239090762 780530362 /nfs/dbraw/zinc/53/03/62/780530362.db2.gz HWPVBJFZHVFEBC-UHFFFAOYSA-N 1 3 253.324 -1.901 20 0 CAADHO CN(C)CCN(CCN(C)C)S(=O)(=O)CC[NH3+] ZINC001239084449 780530531 /nfs/dbraw/zinc/53/05/31/780530531.db2.gz QAEOBQRKPBCWFM-UHFFFAOYSA-N 1 3 266.411 -1.300 20 0 CAADHO COCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CCN ZINC001239134149 780532576 /nfs/dbraw/zinc/53/25/76/780532576.db2.gz YOTWAHKVBMKBMV-JTQLQIEISA-N 1 3 265.379 -1.025 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C[C@H]1N ZINC001239136359 780532825 /nfs/dbraw/zinc/53/28/25/780532825.db2.gz RMZDOJGGRKIGPG-DJLDLDEBSA-N 1 3 277.346 -1.890 20 0 CAADHO COC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1N ZINC001239135208 780532897 /nfs/dbraw/zinc/53/28/97/780532897.db2.gz MUSPGRFIYGWWRG-UWVGGRQHSA-N 1 3 291.373 -1.500 20 0 CAADHO CCOC(=O)CN(CCC[NH3+])S(=O)(=O)CCN ZINC001239128091 780532942 /nfs/dbraw/zinc/53/29/42/780532942.db2.gz OQNXYTSNSPZLRW-UHFFFAOYSA-N 1 3 267.351 -1.511 20 0 CAADHO COCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCN ZINC001239135081 780533291 /nfs/dbraw/zinc/53/32/91/780533291.db2.gz USDJFZNFEVULJU-SECBINFHSA-N 1 3 251.352 -1.415 20 0 CAADHO NCCS(=O)(=O)N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001239162339 780534523 /nfs/dbraw/zinc/53/45/23/780534523.db2.gz FVSZRIRIQSRJOQ-JTQLQIEISA-N 1 3 276.406 -1.228 20 0 CAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CCN)CC2 ZINC001239171977 780534854 /nfs/dbraw/zinc/53/48/54/780534854.db2.gz DRYAMPSLERFBTQ-KOLCDFICSA-N 1 3 291.373 -1.498 20 0 CAADHO NCCS(=O)(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001239160937 780535172 /nfs/dbraw/zinc/53/51/72/780535172.db2.gz IEYWDIRGUMEPGU-NSHDSACASA-N 1 3 276.406 -1.228 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599073 780557998 /nfs/dbraw/zinc/55/79/98/780557998.db2.gz CESDRXIMNKHQSR-RYUDHWBXSA-N 1 3 282.388 -1.083 20 0 CAADHO C1[NH2+]CC12C[C@@H](N1CC3(C1)CNCCO3)CCN2 ZINC001246617438 780558513 /nfs/dbraw/zinc/55/85/13/780558513.db2.gz CBKOMEIMZUTZBF-NSHDSACASA-N 1 3 252.362 -1.245 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001221188614 780406198 /nfs/dbraw/zinc/40/61/98/780406198.db2.gz ZFJZZQIRTINAKB-UWVGGRQHSA-N 1 3 283.332 -1.324 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001221188614 780406202 /nfs/dbraw/zinc/40/62/02/780406202.db2.gz ZFJZZQIRTINAKB-UWVGGRQHSA-N 1 3 283.332 -1.324 20 0 CAADHO O=C(N[C@H]1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221269567 780412885 /nfs/dbraw/zinc/41/28/85/780412885.db2.gz QHKMJNXZHBKQTR-UHIISALHSA-N 1 3 280.372 -1.030 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221277905 780412957 /nfs/dbraw/zinc/41/29/57/780412957.db2.gz AVHFSGIJUBBAAA-LURJTMIESA-N 1 3 270.255 -1.153 20 0 CAADHO O=C(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)NCC(F)(F)F ZINC001221278085 780412983 /nfs/dbraw/zinc/41/29/83/780412983.db2.gz HDCKJQQAJZZODZ-ZETCQYMHSA-N 1 3 294.277 -1.410 20 0 CAADHO O=C(N[C@H]1CCCNC(=O)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001221268817 780413114 /nfs/dbraw/zinc/41/31/14/780413114.db2.gz DIIOWYYPRWFKDG-VHSXEESVSA-N 1 3 266.345 -1.420 20 0 CAADHO O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221268816 780413397 /nfs/dbraw/zinc/41/33/97/780413397.db2.gz DIIOWYYPRWFKDG-UWVGGRQHSA-N 1 3 266.345 -1.420 20 0 CAADHO COC(=O)[C@H](C[NH3+])[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238036899 780512236 /nfs/dbraw/zinc/51/22/36/780512236.db2.gz VTCOJUCNLLOCBI-VIFPVBQESA-N 1 3 279.362 -1.594 20 0 CAADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238058035 780512556 /nfs/dbraw/zinc/51/25/56/780512556.db2.gz YZNBRWSSNXRVOH-XHNCKOQMSA-N 1 3 251.327 -1.032 20 0 CAADHO C[C@@H](CN1CC[NH2+]CC1)NS(=O)(=O)CCN ZINC001238033258 780513408 /nfs/dbraw/zinc/51/34/08/780513408.db2.gz WXFBXFIAAUHEQK-VIFPVBQESA-N 1 3 250.368 -1.842 20 0 CAADHO NCCS(=O)(=O)N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238349088 780516285 /nfs/dbraw/zinc/51/62/85/780516285.db2.gz WIFNZGUZOLKQFF-UWVGGRQHSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001238300778 780516337 /nfs/dbraw/zinc/51/63/37/780516337.db2.gz BQWXWWLLOLRZRV-BBBLOLIVSA-N 1 3 263.363 -1.511 20 0 CAADHO NCCS(=O)(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238540266 780518614 /nfs/dbraw/zinc/51/86/14/780518614.db2.gz CQCFHYGTAKGGOC-NXEZZACHSA-N 1 3 263.363 -1.224 20 0 CAADHO [NH3+]CCS(=O)(=O)NCC1CCN(CCO)CC1 ZINC001238523129 780519020 /nfs/dbraw/zinc/51/90/20/780519020.db2.gz JLHDCTMODUBQSV-UHFFFAOYSA-N 1 3 265.379 -1.431 20 0 CAADHO NCCS(=O)(=O)NCCC1(O)CC[NH2+]CC1 ZINC001238395844 780519295 /nfs/dbraw/zinc/51/92/95/780519295.db2.gz LDJPBFZFDNFSKP-UHFFFAOYSA-N 1 3 251.352 -1.631 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238540268 780519490 /nfs/dbraw/zinc/51/94/90/780519490.db2.gz CQCFHYGTAKGGOC-VHSXEESVSA-N 1 3 263.363 -1.224 20 0 CAADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC[NH3+])C1CC[NH2+]CC1 ZINC001238712257 780521446 /nfs/dbraw/zinc/52/14/46/780521446.db2.gz AKBATAYBFNPUFG-VIFPVBQESA-N 1 3 279.362 -1.594 20 0 CAADHO COC(=O)[C@H]([N-]S(=O)(=O)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC001238897389 780524231 /nfs/dbraw/zinc/52/42/31/780524231.db2.gz KDTUWCFSPSEDHG-JGVFFNPUSA-N 1 3 265.335 -1.984 20 0 CAADHO NCCS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC001238840550 780524322 /nfs/dbraw/zinc/52/43/22/780524322.db2.gz QWQXRZINOWTSHZ-UHFFFAOYSA-N 1 3 250.368 -1.712 20 0 CAADHO NC(=O)[C@@H](N)CCCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238839403 780524830 /nfs/dbraw/zinc/52/48/30/780524830.db2.gz REGFVUGYORXKIE-BDAKNGLRSA-N 1 3 278.378 -1.749 20 0 CAADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001238897391 780525100 /nfs/dbraw/zinc/52/51/00/780525100.db2.gz KDTUWCFSPSEDHG-SFYZADRCSA-N 1 3 265.335 -1.984 20 0 CAADHO CC(C)(O)[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001262554012 780716068 /nfs/dbraw/zinc/71/60/68/780716068.db2.gz PMAZIDRGIBRAIW-SNVBAGLBSA-N 1 3 258.366 -1.504 20 0 CAADHO COCCN1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001263097117 780719688 /nfs/dbraw/zinc/71/96/88/780719688.db2.gz MZGXMBSZXVHPTF-NSHDSACASA-N 1 3 259.350 -1.077 20 0 CAADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC001263103365 780719827 /nfs/dbraw/zinc/71/98/27/780719827.db2.gz XFBVVOKCAFPNGK-CHWSQXEVSA-N 1 3 286.420 -1.044 20 0 CAADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046368 782886334 /nfs/dbraw/zinc/88/63/34/782886334.db2.gz GHQINSOVTZVGJQ-UONOGXRCSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046368 782886338 /nfs/dbraw/zinc/88/63/38/782886338.db2.gz GHQINSOVTZVGJQ-UONOGXRCSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046367 782886531 /nfs/dbraw/zinc/88/65/31/782886531.db2.gz GHQINSOVTZVGJQ-KGLIPLIRSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046367 782886534 /nfs/dbraw/zinc/88/65/34/782886534.db2.gz GHQINSOVTZVGJQ-KGLIPLIRSA-N 1 3 297.447 -1.016 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000705604216 775122777 /nfs/dbraw/zinc/12/27/77/775122777.db2.gz XQCPVQPLZAIVLG-AXFHLTTASA-N 1 3 257.334 -1.325 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000705604221 775123575 /nfs/dbraw/zinc/12/35/75/775123575.db2.gz XQCPVQPLZAIVLG-MXWKQRLJSA-N 1 3 257.334 -1.325 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000705604217 775124084 /nfs/dbraw/zinc/12/40/84/775124084.db2.gz XQCPVQPLZAIVLG-GMTAPVOTSA-N 1 3 257.334 -1.325 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001267016535 775195040 /nfs/dbraw/zinc/19/50/40/775195040.db2.gz WYLTULSFZCEJSN-QWRGUYRKSA-N 1 3 296.371 -1.066 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001161414030 775247863 /nfs/dbraw/zinc/24/78/63/775247863.db2.gz SDLYJZUWZJZAQB-WRWGMCAJSA-N 1 3 280.372 -1.488 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414711 775250017 /nfs/dbraw/zinc/25/00/17/775250017.db2.gz YUJYYAGYZQFKHD-XWLWVQCSSA-N 1 3 283.376 -1.042 20 0 CAADHO CS(=O)(=O)N(CC[NH3+])C(=O)C1CCCS1(=O)=O ZINC001143466081 775253852 /nfs/dbraw/zinc/25/38/52/775253852.db2.gz KCXIMVLGBWCYGK-SSDOTTSWSA-N 1 3 284.359 -1.690 20 0 CAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCC[NH3+] ZINC001219868146 775292626 /nfs/dbraw/zinc/29/26/26/775292626.db2.gz ZFKHLYLVHLBRNH-VIFPVBQESA-N 1 3 280.332 -1.611 20 0 CAADHO O=C(NC1(CCO)COC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220173125 775293876 /nfs/dbraw/zinc/29/38/76/775293876.db2.gz JGIYYQUDOBPVBK-VIFPVBQESA-N 1 3 255.318 -1.937 20 0 CAADHO O=C(NC1(CCO)COC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220173124 775295009 /nfs/dbraw/zinc/29/50/09/775295009.db2.gz JGIYYQUDOBPVBK-SECBINFHSA-N 1 3 255.318 -1.937 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]n1 ZINC001220329607 775296305 /nfs/dbraw/zinc/29/63/05/775296305.db2.gz UUZCFWACQNZWQS-JTQLQIEISA-N 1 3 267.337 -1.829 20 0 CAADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161488227 775307994 /nfs/dbraw/zinc/30/79/94/775307994.db2.gz BFDLWBYCIKKUPT-DGCLKSJQSA-N 1 3 282.388 -1.096 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499791 775319786 /nfs/dbraw/zinc/31/97/86/775319786.db2.gz IIHGDHSTJNASPE-ZJUUUORDSA-N 1 3 265.317 -1.534 20 0 CAADHO [NH3+]CCc1nnn(-c2cccnc2OC2CNC2)n1 ZINC001167791783 775363645 /nfs/dbraw/zinc/36/36/45/775363645.db2.gz KGYPOPUPSSGNRS-UHFFFAOYSA-N 1 3 261.289 -1.091 20 0 CAADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCO)N1CCCC1 ZINC001268316161 775399988 /nfs/dbraw/zinc/39/99/88/775399988.db2.gz IDFVVBZAWGRRDZ-NSHDSACASA-N 1 3 273.377 -1.080 20 0 CAADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475440 775985405 /nfs/dbraw/zinc/98/54/05/775985405.db2.gz VPDZAMCCTKAUPM-JTQLQIEISA-N 1 3 297.359 -1.771 20 0 CAADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466503 775985896 /nfs/dbraw/zinc/98/58/96/775985896.db2.gz QHPOULOXNOWPEG-KOLCDFICSA-N 1 3 268.361 -1.092 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474536 775986774 /nfs/dbraw/zinc/98/67/74/775986774.db2.gz NMIBOIPDJXRYBF-NSHDSACASA-N 1 3 268.361 -1.220 20 0 CAADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475101 775986797 /nfs/dbraw/zinc/98/67/97/775986797.db2.gz QKHZPIHJMDBASY-NEPJUHHUSA-N 1 3 280.372 -1.078 20 0 CAADHO C[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127558079 775992742 /nfs/dbraw/zinc/99/27/42/775992742.db2.gz BLUICDJIZIVTNQ-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690461 776001625 /nfs/dbraw/zinc/00/16/25/776001625.db2.gz KJHKDUZKQKMQKN-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690461 776001632 /nfs/dbraw/zinc/00/16/32/776001632.db2.gz KJHKDUZKQKMQKN-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001124872820 776016009 /nfs/dbraw/zinc/01/60/09/776016009.db2.gz NMLVVOZEDVKIOX-NXEZZACHSA-N 1 3 254.334 -1.325 20 0 CAADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001124872827 776016678 /nfs/dbraw/zinc/01/66/78/776016678.db2.gz NMLVVOZEDVKIOX-ZJUUUORDSA-N 1 3 254.334 -1.325 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779578 776040055 /nfs/dbraw/zinc/04/00/55/776040055.db2.gz OHBYDTDWVCGDRA-NWDGAFQWSA-N 1 3 298.387 -1.356 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779578 776040061 /nfs/dbraw/zinc/04/00/61/776040061.db2.gz OHBYDTDWVCGDRA-NWDGAFQWSA-N 1 3 298.387 -1.356 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778430 776040188 /nfs/dbraw/zinc/04/01/88/776040188.db2.gz DUISSKIRMREXKI-MNOVXSKESA-N 1 3 284.360 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778430 776040192 /nfs/dbraw/zinc/04/01/92/776040192.db2.gz DUISSKIRMREXKI-MNOVXSKESA-N 1 3 284.360 -1.699 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777710 776040227 /nfs/dbraw/zinc/04/02/27/776040227.db2.gz BGLGEZODZYYVJU-NWDGAFQWSA-N 1 3 298.387 -1.309 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777710 776040231 /nfs/dbraw/zinc/04/02/31/776040231.db2.gz BGLGEZODZYYVJU-NWDGAFQWSA-N 1 3 298.387 -1.309 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777706 776040690 /nfs/dbraw/zinc/04/06/90/776040690.db2.gz BGLGEZODZYYVJU-NEPJUHHUSA-N 1 3 298.387 -1.309 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777706 776040700 /nfs/dbraw/zinc/04/07/00/776040700.db2.gz BGLGEZODZYYVJU-NEPJUHHUSA-N 1 3 298.387 -1.309 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777755 776041011 /nfs/dbraw/zinc/04/10/11/776041011.db2.gz BNMWKLJPCVZCMB-ZJUUUORDSA-N 1 3 270.333 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777755 776041022 /nfs/dbraw/zinc/04/10/22/776041022.db2.gz BNMWKLJPCVZCMB-ZJUUUORDSA-N 1 3 270.333 -1.959 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777712 776041672 /nfs/dbraw/zinc/04/16/72/776041672.db2.gz BGLGEZODZYYVJU-RYUDHWBXSA-N 1 3 298.387 -1.309 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777712 776041677 /nfs/dbraw/zinc/04/16/77/776041677.db2.gz BGLGEZODZYYVJU-RYUDHWBXSA-N 1 3 298.387 -1.309 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777749 776041808 /nfs/dbraw/zinc/04/18/08/776041808.db2.gz BNMWKLJPCVZCMB-NXEZZACHSA-N 1 3 270.333 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777749 776041814 /nfs/dbraw/zinc/04/18/14/776041814.db2.gz BNMWKLJPCVZCMB-NXEZZACHSA-N 1 3 270.333 -1.959 20 0 CAADHO COc1nc(NC(=N)N2CC[NH+](C)CC2)nc(OC)n1 ZINC001168737181 776188423 /nfs/dbraw/zinc/18/84/23/776188423.db2.gz XEEGAOFTQBNXQK-UHFFFAOYSA-N 1 3 281.320 -1.095 20 0 CAADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082919873 776425377 /nfs/dbraw/zinc/42/53/77/776425377.db2.gz IPASKLLVXPMBLF-OUAUKWLOSA-N 1 3 268.361 -1.140 20 0 CAADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082919873 776425378 /nfs/dbraw/zinc/42/53/78/776425378.db2.gz IPASKLLVXPMBLF-OUAUKWLOSA-N 1 3 268.361 -1.140 20 0 CAADHO C[NH+]1CCN(c2cc(-n3nnnc3CN)ncn2)CC1 ZINC001168919005 776518268 /nfs/dbraw/zinc/51/82/68/776518268.db2.gz QGRCGPPZCPMLBH-UHFFFAOYSA-N 1 3 275.320 -1.337 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC2(CNC2)O1 ZINC001157323663 776572270 /nfs/dbraw/zinc/57/22/70/776572270.db2.gz VEFBIJWAUFGOTK-WDEREUQCSA-N 1 3 298.387 -1.133 20 0 CAADHO N[C@H]1CN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C[C@H]1F ZINC001157536702 776585149 /nfs/dbraw/zinc/58/51/49/776585149.db2.gz ONGWXRVVORQZQD-FJXKBIBVSA-N 1 3 256.281 -2.028 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729673 776599959 /nfs/dbraw/zinc/59/99/59/776599959.db2.gz GIFFMGDNUKHKLI-VWYCJHECSA-N 1 3 271.336 -1.026 20 0 CAADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157716527 776599907 /nfs/dbraw/zinc/59/99/07/776599907.db2.gz PAYJUEABDNUZIC-WHOHXGKFSA-N 1 3 268.361 -1.617 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436488 776620585 /nfs/dbraw/zinc/62/05/85/776620585.db2.gz PRBDHGUMKKGWPX-LLVKDONJSA-N 1 3 256.350 -1.222 20 0 CAADHO CN(C)[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435780 776620642 /nfs/dbraw/zinc/62/06/42/776620642.db2.gz IXZRGASGRCHVMS-JQWIXIFHSA-N 1 3 296.371 -1.162 20 0 CAADHO CN(CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531581 776620712 /nfs/dbraw/zinc/62/07/12/776620712.db2.gz AELVCHMNEQPDPF-NSHDSACASA-N 1 3 296.371 -1.018 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436489 776621938 /nfs/dbraw/zinc/62/19/38/776621938.db2.gz PRBDHGUMKKGWPX-NSHDSACASA-N 1 3 256.350 -1.222 20 0 CAADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001129535530 776622838 /nfs/dbraw/zinc/62/28/38/776622838.db2.gz WCWKSKMGCPRAGR-VIFPVBQESA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@@H]1O ZINC001157947013 776653624 /nfs/dbraw/zinc/65/36/24/776653624.db2.gz QIADPJZIQCFCNN-GMXVVIOVSA-N 1 3 283.372 -1.613 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520291 776693227 /nfs/dbraw/zinc/69/32/27/776693227.db2.gz WXKAXKOPKSHSJB-OZAVNUTGSA-N 1 3 296.371 -1.571 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520291 776693232 /nfs/dbraw/zinc/69/32/32/776693232.db2.gz WXKAXKOPKSHSJB-OZAVNUTGSA-N 1 3 296.371 -1.571 20 0 CAADHO C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520483 776693546 /nfs/dbraw/zinc/69/35/46/776693546.db2.gz ZBBBQIOKCSZSLS-JJMZSNKZSA-N 1 3 283.372 -1.064 20 0 CAADHO C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520485 776693613 /nfs/dbraw/zinc/69/36/13/776693613.db2.gz ZBBBQIOKCSZSLS-WDBLDGLGSA-N 1 3 283.372 -1.064 20 0 CAADHO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520288 776693851 /nfs/dbraw/zinc/69/38/51/776693851.db2.gz WXKAXKOPKSHSJB-FQYCYVTBSA-N 1 3 296.371 -1.571 20 0 CAADHO C[C@@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520288 776693856 /nfs/dbraw/zinc/69/38/56/776693856.db2.gz WXKAXKOPKSHSJB-FQYCYVTBSA-N 1 3 296.371 -1.571 20 0 CAADHO CC(C)(C(=O)NCCNCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001132283844 776718955 /nfs/dbraw/zinc/71/89/55/776718955.db2.gz LGEOAWCCDADKGE-UHFFFAOYSA-N 1 3 299.375 -1.239 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001132886394 776753782 /nfs/dbraw/zinc/75/37/82/776753782.db2.gz KOBFTFXFUTVGSU-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001132886394 776753786 /nfs/dbraw/zinc/75/37/86/776753786.db2.gz KOBFTFXFUTVGSU-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001132993305 776755620 /nfs/dbraw/zinc/75/56/20/776755620.db2.gz SIXPMBBNICYSGF-JTQLQIEISA-N 1 3 296.371 -1.161 20 0 CAADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001132993306 776756645 /nfs/dbraw/zinc/75/66/45/776756645.db2.gz SIXPMBBNICYSGF-SNVBAGLBSA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001133051235 776757625 /nfs/dbraw/zinc/75/76/25/776757625.db2.gz BJBAKVRRZREEPQ-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CCOCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294787 776775923 /nfs/dbraw/zinc/77/59/23/776775923.db2.gz UJBHJFKELAXREG-UHFFFAOYSA-N 1 3 288.392 -1.203 20 0 CAADHO CN(CCNCCNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001133297647 776776015 /nfs/dbraw/zinc/77/60/15/776776015.db2.gz OJRIBEWVTSNPLO-UHFFFAOYSA-N 1 3 294.421 -1.465 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001133294767 776776124 /nfs/dbraw/zinc/77/61/24/776776124.db2.gz SNROPIIWKWVICD-UHFFFAOYSA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001133294502 776776726 /nfs/dbraw/zinc/77/67/26/776776726.db2.gz LMBDJRSLPTXFQH-UHFFFAOYSA-N 1 3 256.350 -1.124 20 0 CAADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC(N)=O)[NH+](C)C ZINC001133415764 776777714 /nfs/dbraw/zinc/77/77/14/776777714.db2.gz NIXKGOWOSSLQNL-SNVBAGLBSA-N 1 3 287.364 -1.527 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845469 776789862 /nfs/dbraw/zinc/78/98/62/776789862.db2.gz GPFXFTURQIYWSL-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845469 776789868 /nfs/dbraw/zinc/78/98/68/776789868.db2.gz GPFXFTURQIYWSL-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863091 776790024 /nfs/dbraw/zinc/79/00/24/776790024.db2.gz JREJEFHHEIHQJF-VHSXEESVSA-N 1 3 256.350 -1.364 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863091 776790030 /nfs/dbraw/zinc/79/00/30/776790030.db2.gz JREJEFHHEIHQJF-VHSXEESVSA-N 1 3 256.350 -1.364 20 0 CAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863545 776790144 /nfs/dbraw/zinc/79/01/44/776790144.db2.gz NWAKOMWBLQPVDV-GHMZBOCLSA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863545 776790150 /nfs/dbraw/zinc/79/01/50/776790150.db2.gz NWAKOMWBLQPVDV-GHMZBOCLSA-N 1 3 270.377 -1.022 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819679 776790496 /nfs/dbraw/zinc/79/04/96/776790496.db2.gz LCLOBMMWOMJYCV-SNVBAGLBSA-N 1 3 299.375 -1.368 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819679 776790498 /nfs/dbraw/zinc/79/04/98/776790498.db2.gz LCLOBMMWOMJYCV-SNVBAGLBSA-N 1 3 299.375 -1.368 20 0 CAADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846264 776790703 /nfs/dbraw/zinc/79/07/03/776790703.db2.gz XNQNQOHGMQEBNC-GHMZBOCLSA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@@H]1CC[N@H+](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133845757 776790718 /nfs/dbraw/zinc/79/07/18/776790718.db2.gz MRNJEJOGSDMTIL-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133845757 776790723 /nfs/dbraw/zinc/79/07/23/776790723.db2.gz MRNJEJOGSDMTIL-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819877 776790746 /nfs/dbraw/zinc/79/07/46/776790746.db2.gz QCAQUTCPQQSJQC-MNOVXSKESA-N 1 3 296.371 -1.018 20 0 CAADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001134780652 776827241 /nfs/dbraw/zinc/82/72/41/776827241.db2.gz QCZAWDUBFXWPRR-UHFFFAOYSA-N 1 3 299.375 -1.381 20 0 CAADHO CNC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114409 776835979 /nfs/dbraw/zinc/83/59/79/776835979.db2.gz CLGOHMDZKYEJCX-UHFFFAOYSA-N 1 3 296.375 -1.490 20 0 CAADHO C[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135119197 776838405 /nfs/dbraw/zinc/83/84/05/776838405.db2.gz YXLKTKYSZAXWQV-JTQLQIEISA-N 1 3 296.375 -1.362 20 0 CAADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)N(C)C ZINC001284444065 777942070 /nfs/dbraw/zinc/94/20/70/777942070.db2.gz HZHYAOJRUPCORZ-NWDGAFQWSA-N 1 3 275.393 -1.026 20 0 CAADHO [NH3+]CCCCn1cc(C(=O)NC[C@H]2CNCCO2)nn1 ZINC001118229209 779555995 /nfs/dbraw/zinc/55/59/95/779555995.db2.gz YKZFDBQSHIIPRA-SNVBAGLBSA-N 1 3 282.348 -1.265 20 0 CAADHO [NH3+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118544123 779574304 /nfs/dbraw/zinc/57/43/04/779574304.db2.gz DNWIJWJYEBAXNI-UHFFFAOYSA-N 1 3 254.294 -1.211 20 0 CAADHO CCN1CCN(C(=O)[C@H](C)NC(CN)C[NH3+])CC1 ZINC001119682518 779623048 /nfs/dbraw/zinc/62/30/48/779623048.db2.gz LYWAWEUHIPFGTG-JTQLQIEISA-N 1 3 257.382 -1.585 20 0 CAADHO CCN1CCN(CCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121927969 779653229 /nfs/dbraw/zinc/65/32/29/779653229.db2.gz KRMYJFKZVMRJMZ-ZDUSSCGKSA-N 1 3 283.420 -1.356 20 0 CAADHO COC[C@]1(C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001122063486 779656255 /nfs/dbraw/zinc/65/62/55/779656255.db2.gz LABGZIVPEOXVOW-PWSUYJOCSA-N 1 3 269.345 -1.140 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CNCCN1C ZINC001122089136 779657401 /nfs/dbraw/zinc/65/74/01/779657401.db2.gz GEUAJDDVIAHUKX-NSHDSACASA-N 1 3 258.366 -1.416 20 0 CAADHO COCC[C@H](N)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094620 779657711 /nfs/dbraw/zinc/65/77/11/779657711.db2.gz OJXICRVFXSDOMB-QWRGUYRKSA-N 1 3 259.350 -1.077 20 0 CAADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288650 779663078 /nfs/dbraw/zinc/66/30/78/779663078.db2.gz NCFBFJGBCNZRLU-CHWSQXEVSA-N 1 3 281.404 -1.604 20 0 CAADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288743 779663313 /nfs/dbraw/zinc/66/33/13/779663313.db2.gz NCFBFJGBCNZRLU-OLZOCXBDSA-N 1 3 281.404 -1.604 20 0 CAADHO CN1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878540 779718869 /nfs/dbraw/zinc/71/88/69/779718869.db2.gz NKIBEZNJEPKXBP-JTQLQIEISA-N 1 3 292.405 -1.664 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867727 779719543 /nfs/dbraw/zinc/71/95/43/779719543.db2.gz YQVHSNZZZZYWQK-UWVGGRQHSA-N 1 3 299.375 -1.370 20 0 CAADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867726 779719598 /nfs/dbraw/zinc/71/95/98/779719598.db2.gz YQVHSNZZZZYWQK-NXEZZACHSA-N 1 3 299.375 -1.370 20 0 CAADHO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124877102 779719938 /nfs/dbraw/zinc/71/99/38/779719938.db2.gz BOKISNBWTUGVFN-VHSXEESVSA-N 1 3 256.350 -1.079 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049262 779802823 /nfs/dbraw/zinc/80/28/23/779802823.db2.gz LTXUZAHALCWYEN-SNVBAGLBSA-N 1 3 256.350 -1.268 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049262 779802835 /nfs/dbraw/zinc/80/28/35/779802835.db2.gz LTXUZAHALCWYEN-SNVBAGLBSA-N 1 3 256.350 -1.268 20 0 CAADHO CN1CCN(CCC(=O)NC2(C[NH3+])COC2)CC1 ZINC001143236593 779769076 /nfs/dbraw/zinc/76/90/76/779769076.db2.gz MTUBDGDBSXJBOL-UHFFFAOYSA-N 1 3 256.350 -1.532 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151049545 779801556 /nfs/dbraw/zinc/80/15/56/779801556.db2.gz RQHCAIRPUYMXKB-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151049545 779801567 /nfs/dbraw/zinc/80/15/67/779801567.db2.gz RQHCAIRPUYMXKB-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151049208 779801785 /nfs/dbraw/zinc/80/17/85/779801785.db2.gz KBETVNPZJWMLOM-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151049208 779801792 /nfs/dbraw/zinc/80/17/92/779801792.db2.gz KBETVNPZJWMLOM-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049165 779802318 /nfs/dbraw/zinc/80/23/18/779802318.db2.gz IXTILRHKVDQLFS-SECBINFHSA-N 1 3 285.348 -1.901 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049165 779802323 /nfs/dbraw/zinc/80/23/23/779802323.db2.gz IXTILRHKVDQLFS-SECBINFHSA-N 1 3 285.348 -1.901 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048382 779802901 /nfs/dbraw/zinc/80/29/01/779802901.db2.gz APYGNEYLEFOBTL-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048382 779802910 /nfs/dbraw/zinc/80/29/10/779802910.db2.gz APYGNEYLEFOBTL-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048383 779803200 /nfs/dbraw/zinc/80/32/00/779803200.db2.gz APYGNEYLEFOBTL-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048383 779803210 /nfs/dbraw/zinc/80/32/10/779803210.db2.gz APYGNEYLEFOBTL-SNVBAGLBSA-N 1 3 256.350 -1.220 20 0 CAADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001152147420 779820262 /nfs/dbraw/zinc/82/02/62/779820262.db2.gz NFUCLFMGTYKLKX-NXEZZACHSA-N 1 3 299.375 -1.240 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152445258 779823979 /nfs/dbraw/zinc/82/39/79/779823979.db2.gz FSPLSCSVAYEDDV-SECBINFHSA-N 1 3 287.364 -1.384 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152426079 779824270 /nfs/dbraw/zinc/82/42/70/779824270.db2.gz CGPMFYHNYJSXCL-SNVBAGLBSA-N 1 3 284.360 -1.162 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC001157323296 779899407 /nfs/dbraw/zinc/89/94/07/779899407.db2.gz GCFUPXSOFFQZIN-QWRGUYRKSA-N 1 3 286.376 -1.275 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC)[C@@H](C)O ZINC001157335065 779899879 /nfs/dbraw/zinc/89/98/79/779899879.db2.gz CDHRLLGQKVEMOX-UTLUCORTSA-N 1 3 274.365 -1.685 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC ZINC001157336414 779900765 /nfs/dbraw/zinc/90/07/65/779900765.db2.gz PEKLKQBOMOTOSI-IUCAKERBSA-N 1 3 260.338 -2.074 20 0 CAADHO NC[C@H](O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379655 779902209 /nfs/dbraw/zinc/90/22/09/779902209.db2.gz PNAHNWZBQXCLFO-QWRGUYRKSA-N 1 3 286.376 -1.458 20 0 CAADHO Cn1ccnc1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157421708 779903464 /nfs/dbraw/zinc/90/34/64/779903464.db2.gz HUSLWPPOKMRWTQ-JTQLQIEISA-N 1 3 263.345 -1.112 20 0 CAADHO CN1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1=O ZINC001157484860 779904043 /nfs/dbraw/zinc/90/40/43/779904043.db2.gz FMRSDVOYWBUQDW-NSHDSACASA-N 1 3 254.334 -1.386 20 0 CAADHO CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157451120 779904232 /nfs/dbraw/zinc/90/42/32/779904232.db2.gz LVLKGSWZCXOKOE-DGCLKSJQSA-N 1 3 252.362 -1.041 20 0 CAADHO CNC(=O)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157495991 779905726 /nfs/dbraw/zinc/90/57/26/779905726.db2.gz RDQGBLYJDYIYHN-NSHDSACASA-N 1 3 280.372 -1.220 20 0 CAADHO COC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157508011 779906598 /nfs/dbraw/zinc/90/65/98/779906598.db2.gz NROKRTFGNLCOKZ-JTQLQIEISA-N 1 3 282.344 -1.294 20 0 CAADHO COC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157508013 779906651 /nfs/dbraw/zinc/90/66/51/779906651.db2.gz NROKRTFGNLCOKZ-SNVBAGLBSA-N 1 3 282.344 -1.294 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2cnnc2C1 ZINC001157508346 779906740 /nfs/dbraw/zinc/90/67/40/779906740.db2.gz SOSZOKMYVRTJJJ-SECBINFHSA-N 1 3 262.317 -1.571 20 0 CAADHO COC(=O)N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001157508765 779907012 /nfs/dbraw/zinc/90/70/12/779907012.db2.gz ZXXJDEURUNRWNF-VIFPVBQESA-N 1 3 258.322 -1.037 20 0 CAADHO N[C@H]1CN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C[C@H]1F ZINC001157536701 779908483 /nfs/dbraw/zinc/90/84/83/779908483.db2.gz ONGWXRVVORQZQD-BKPPORCPSA-N 1 3 256.281 -2.028 20 0 CAADHO CC1([NH3+])CN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001157644618 779908861 /nfs/dbraw/zinc/90/88/61/779908861.db2.gz SPXHLILFLYPPDB-VIFPVBQESA-N 1 3 254.334 -1.114 20 0 CAADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545308 779908998 /nfs/dbraw/zinc/90/89/98/779908998.db2.gz OTUWFRNDMQQQRN-JXUBOQSCSA-N 1 3 259.281 -1.355 20 0 CAADHO N[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157544334 779909154 /nfs/dbraw/zinc/90/91/54/779909154.db2.gz BBHRIVAGYFGBDB-VGMNWLOBSA-N 1 3 258.297 -1.638 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)([NH3+])C1 ZINC001157651362 779909583 /nfs/dbraw/zinc/90/95/83/779909583.db2.gz MZJSXHYNAPXFLX-BQBZGAKWSA-N 1 3 271.321 -2.747 20 0 CAADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545564 779909626 /nfs/dbraw/zinc/90/96/26/779909626.db2.gz WTDSTLPIJJIFBM-KYXWUPHJSA-N 1 3 273.308 -1.107 20 0 CAADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545307 779909828 /nfs/dbraw/zinc/90/98/28/779909828.db2.gz OTUWFRNDMQQQRN-IMSYWVGJSA-N 1 3 259.281 -1.355 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157715523 779910882 /nfs/dbraw/zinc/91/08/82/779910882.db2.gz FQEUPUWJJUFKMW-GMXVVIOVSA-N 1 3 268.361 -1.615 20 0 CAADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1cncn1C ZINC001157715212 779911039 /nfs/dbraw/zinc/91/10/39/779911039.db2.gz CIZRASHTJJAMKP-RYUDHWBXSA-N 1 3 281.360 -1.263 20 0 CAADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)CN1CCCC[C@H](N)C1=O ZINC001157720881 779911792 /nfs/dbraw/zinc/91/17/92/779911792.db2.gz QWIAGJHGIIFMSX-NEPJUHHUSA-N 1 3 298.387 -1.227 20 0 CAADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)CN1CCCC[C@H](N)C1=O ZINC001157720882 779911827 /nfs/dbraw/zinc/91/18/27/779911827.db2.gz QWIAGJHGIIFMSX-RYUDHWBXSA-N 1 3 298.387 -1.227 20 0 CAADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001157721216 779912720 /nfs/dbraw/zinc/91/27/20/779912720.db2.gz VHJDEJHZDNOPTQ-JJQCHNSYSA-N 1 3 277.390 -1.471 20 0 CAADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157844294 779913897 /nfs/dbraw/zinc/91/38/97/779913897.db2.gz VUERPRFPDFRZPZ-UTUOFQBUSA-N 1 3 282.388 -1.097 20 0 CAADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157844293 779914088 /nfs/dbraw/zinc/91/40/88/779914088.db2.gz VUERPRFPDFRZPZ-IJLUTSLNSA-N 1 3 282.388 -1.097 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856233 779915042 /nfs/dbraw/zinc/91/50/42/779915042.db2.gz SUQZZWCUVBAZTL-OPRDCNLKSA-N 1 3 257.309 -1.273 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902510 779916284 /nfs/dbraw/zinc/91/62/84/779916284.db2.gz BVFJVUVTFSJKKN-OUAUKWLOSA-N 1 3 269.345 -2.003 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902508 779916352 /nfs/dbraw/zinc/91/63/52/779916352.db2.gz BVFJVUVTFSJKKN-GARJFASQSA-N 1 3 269.345 -2.003 20 0 CAADHO O=C(N1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157891387 779916466 /nfs/dbraw/zinc/91/64/66/779916466.db2.gz YJYQMPZMDLZNEF-ZWNOBZJWSA-N 1 3 266.345 -1.466 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902670 779916674 /nfs/dbraw/zinc/91/66/74/779916674.db2.gz BVFJVUVTFSJKKN-VWYCJHECSA-N 1 3 269.345 -2.003 20 0 CAADHO O=C(N1CC[C@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157903344 779916719 /nfs/dbraw/zinc/91/67/19/779916719.db2.gz GACXOXVTPIIZMB-HKUMRIAESA-N 1 3 283.372 -1.613 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904422 779917170 /nfs/dbraw/zinc/91/71/70/779917170.db2.gz LXZNZXAEGHHTDM-GUBZILKMSA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@H](C(=O)N1CC[C@@H](CO)[C@H](O)C1)C1CC[NH2+]CC1 ZINC001157905505 779917374 /nfs/dbraw/zinc/91/73/74/779917374.db2.gz UPZNAWRUUXOAHX-TUAOUCFPSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@H](C(=O)N1CC[C@H](CO)[C@H](O)C1)C1CC[NH2+]CC1 ZINC001157905506 779917529 /nfs/dbraw/zinc/91/75/29/779917529.db2.gz UPZNAWRUUXOAHX-UTUOFQBUSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904825 779917759 /nfs/dbraw/zinc/91/77/59/779917759.db2.gz OCUYUYHDBXTNSK-DCAQKATOSA-N 1 3 259.350 -1.356 20 0 CAADHO N[C@H](C(=O)N1CC[C@@H](CO)[C@@H](O)C1)C1CC[NH2+]CC1 ZINC001157905504 779917778 /nfs/dbraw/zinc/91/77/78/779917778.db2.gz UPZNAWRUUXOAHX-SRVKXCTJSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904828 779917837 /nfs/dbraw/zinc/91/78/37/779917837.db2.gz OCUYUYHDBXTNSK-VWYCJHECSA-N 1 3 259.350 -1.356 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934673 779919181 /nfs/dbraw/zinc/91/91/81/779919181.db2.gz NKPUSHYSWOWAIR-OUAUKWLOSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]1O ZINC001157943918 779919900 /nfs/dbraw/zinc/91/99/00/779919900.db2.gz GYQVQKZBJKCRIU-HOSYDEDBSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]1O ZINC001157943920 779920090 /nfs/dbraw/zinc/92/00/90/779920090.db2.gz GYQVQKZBJKCRIU-JFGNBEQYSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[C@@H]1O ZINC001157945790 779920992 /nfs/dbraw/zinc/92/09/92/779920992.db2.gz LKTUOTVRAOWZJV-AYRXBEOTSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[C@@H]1O ZINC001157945793 779921013 /nfs/dbraw/zinc/92/10/13/779921013.db2.gz LKTUOTVRAOWZJV-PAPYEOQZSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1O ZINC001157947190 779921185 /nfs/dbraw/zinc/92/11/85/779921185.db2.gz RKSQBVNMURSYLW-AYRXBEOTSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC[C@@H]1O ZINC001157945406 779921239 /nfs/dbraw/zinc/92/12/39/779921239.db2.gz LJKLXVQDXZYBNX-NTZNESFSSA-N 1 3 283.372 -1.613 20 0 CAADHO C[C@@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[C@H]1O ZINC001157945798 779921409 /nfs/dbraw/zinc/92/14/09/779921409.db2.gz LKTUOTVRAOWZJV-RJZRQDKASA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1O ZINC001157947192 779921484 /nfs/dbraw/zinc/92/14/84/779921484.db2.gz RKSQBVNMURSYLW-PAPYEOQZSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC[C@H]1O ZINC001157945403 779921497 /nfs/dbraw/zinc/92/14/97/779921497.db2.gz LJKLXVQDXZYBNX-NQBHXWOUSA-N 1 3 283.372 -1.613 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157998802 779923247 /nfs/dbraw/zinc/92/32/47/779923247.db2.gz HVDZJGAVQCTPKQ-QWRGUYRKSA-N 1 3 286.376 -1.194 20 0 CAADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092623 779925496 /nfs/dbraw/zinc/92/54/96/779925496.db2.gz OITNKDACWKWGBD-OUJBWJOFSA-N 1 3 284.335 -1.233 20 0 CAADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092621 779925645 /nfs/dbraw/zinc/92/56/45/779925645.db2.gz OITNKDACWKWGBD-KWBADKCTSA-N 1 3 284.335 -1.233 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091991 779926404 /nfs/dbraw/zinc/92/64/04/779926404.db2.gz LANIRYISEVHIIY-ZWNOBZJWSA-N 1 3 292.343 -2.030 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091982 779926544 /nfs/dbraw/zinc/92/65/44/779926544.db2.gz LANIRYISEVHIIY-GWCFXTLKSA-N 1 3 292.343 -2.030 20 0 CAADHO NC(C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C(F)(F)F ZINC001158101810 779926946 /nfs/dbraw/zinc/92/69/46/779926946.db2.gz MEYFAVIGNATDPE-IONNQARKSA-N 1 3 280.250 -1.434 20 0 CAADHO NC1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC1 ZINC001158112142 779927220 /nfs/dbraw/zinc/92/72/20/779927220.db2.gz WAJROIRTBBQJKU-LBPRGKRZSA-N 1 3 264.329 -1.584 20 0 CAADHO NC1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC1 ZINC001158112141 779927364 /nfs/dbraw/zinc/92/73/64/779927364.db2.gz WAJROIRTBBQJKU-GFCCVEGCSA-N 1 3 264.329 -1.584 20 0 CAADHO C[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121035 779927824 /nfs/dbraw/zinc/92/78/24/779927824.db2.gz RLJIIWURFBATRW-PELKAZGASA-N 1 3 252.318 -1.728 20 0 CAADHO C[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121036 779928145 /nfs/dbraw/zinc/92/81/45/779928145.db2.gz RLJIIWURFBATRW-PRHODGIISA-N 1 3 252.318 -1.728 20 0 CAADHO NC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121446 779928337 /nfs/dbraw/zinc/92/83/37/779928337.db2.gz SXBGEFJBLONNBI-UFBFGSQYSA-N 1 3 267.333 -2.790 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168647 779929111 /nfs/dbraw/zinc/92/91/11/779929111.db2.gz WHYUJENRQPAPSN-ADEWGFFLSA-N 1 3 279.344 -1.274 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168647 779929118 /nfs/dbraw/zinc/92/91/18/779929118.db2.gz WHYUJENRQPAPSN-ADEWGFFLSA-N 1 3 279.344 -1.274 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158186917 779930396 /nfs/dbraw/zinc/93/03/96/779930396.db2.gz IRZDZTINBCHMJG-NBBOBHDQSA-N 1 3 269.349 -1.288 20 0 CAADHO N[C@H](C(=O)N1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001158368729 779933842 /nfs/dbraw/zinc/93/38/42/779933842.db2.gz JPLVHSUCTGITHR-JTQLQIEISA-N 1 3 275.374 -1.430 20 0 CAADHO O=C(N1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158371473 779933888 /nfs/dbraw/zinc/93/38/88/779933888.db2.gz ZRYQOZWHPBZEFY-ZYHUDNBSSA-N 1 3 287.385 -1.558 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158420907 779934696 /nfs/dbraw/zinc/93/46/96/779934696.db2.gz AKKPLPYSGLYJKB-UTLUCORTSA-N 1 3 269.349 -1.275 20 0 CAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CN ZINC001158496637 779936783 /nfs/dbraw/zinc/93/67/83/779936783.db2.gz WBYNFJDXLRWISV-AATLWQCWSA-N 1 3 270.333 -1.976 20 0 CAADHO COCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001158604152 779937585 /nfs/dbraw/zinc/93/75/85/779937585.db2.gz JYKBLUCDBVXIOA-UKRRQHHQSA-N 1 3 296.415 -1.024 20 0 CAADHO COCCN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001158604472 779937630 /nfs/dbraw/zinc/93/76/30/779937630.db2.gz NTMWXQIIGULIMH-NSHDSACASA-N 1 3 290.433 -1.204 20 0 CAADHO COCCN1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001158605083 779937857 /nfs/dbraw/zinc/93/78/57/779937857.db2.gz VFZJHVMQRHRYGD-LLVKDONJSA-N 1 3 258.366 -1.157 20 0 CAADHO COCCN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001158604272 779938288 /nfs/dbraw/zinc/93/82/88/779938288.db2.gz MFHUFUWEAXBCNK-LBPRGKRZSA-N 1 3 282.388 -1.414 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158797859 779939415 /nfs/dbraw/zinc/93/94/15/779939415.db2.gz CKQJNWUAIZFETL-QWRGUYRKSA-N 1 3 261.366 -1.143 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]21 ZINC001158803222 779939977 /nfs/dbraw/zinc/93/99/77/779939977.db2.gz DYXXOXULTJPQGC-AXFHLTTASA-N 1 3 256.350 -1.406 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]21 ZINC001158803223 779940027 /nfs/dbraw/zinc/94/00/27/779940027.db2.gz DYXXOXULTJPQGC-MXWKQRLJSA-N 1 3 256.350 -1.406 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158799866 779940191 /nfs/dbraw/zinc/94/01/91/779940191.db2.gz PXOQTLJDLGYOJZ-MNOVXSKESA-N 1 3 271.361 -1.328 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158799866 779940197 /nfs/dbraw/zinc/94/01/97/779940197.db2.gz PXOQTLJDLGYOJZ-MNOVXSKESA-N 1 3 271.361 -1.328 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001159887183 779952836 /nfs/dbraw/zinc/95/28/36/779952836.db2.gz RSDYTPMPJWKBSQ-WOPDTQHZSA-N 1 3 280.372 -1.140 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001159887182 779953093 /nfs/dbraw/zinc/95/30/93/779953093.db2.gz RSDYTPMPJWKBSQ-GRYCIOLGSA-N 1 3 280.372 -1.140 20 0 CAADHO CS(=O)(=O)N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160431705 779958149 /nfs/dbraw/zinc/95/81/49/779958149.db2.gz BALZYVLOXRAOPW-VIFPVBQESA-N 1 3 278.378 -1.844 20 0 CAADHO CS(=O)(=O)N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160431704 779958842 /nfs/dbraw/zinc/95/88/42/779958842.db2.gz BALZYVLOXRAOPW-SECBINFHSA-N 1 3 278.378 -1.844 20 0 CAADHO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160451393 779961331 /nfs/dbraw/zinc/96/13/31/779961331.db2.gz NQOXWPRFVXMUCS-BDAKNGLRSA-N 1 3 252.318 -1.858 20 0 CAADHO CCN(CCC(N)=O)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160471281 779962598 /nfs/dbraw/zinc/96/25/98/779962598.db2.gz UEJAXHDFZVHHKU-VIFPVBQESA-N 1 3 254.334 -1.481 20 0 CAADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160485059 779962802 /nfs/dbraw/zinc/96/28/02/779962802.db2.gz PJXNIFNFXDZCGE-LBPRGKRZSA-N 1 3 299.419 -1.279 20 0 CAADHO CN(C)C(=O)CN(C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160504420 779963790 /nfs/dbraw/zinc/96/37/90/779963790.db2.gz NJSGJRORAMZGSF-VIFPVBQESA-N 1 3 254.334 -1.658 20 0 CAADHO CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160505556 779963985 /nfs/dbraw/zinc/96/39/85/779963985.db2.gz YPCMCKZOVTUECO-ZWNOBZJWSA-N 1 3 268.361 -1.268 20 0 CAADHO [NH3+]C1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160510938 779964387 /nfs/dbraw/zinc/96/43/87/779964387.db2.gz HRYVXRJXSDGNLL-SNVBAGLBSA-N 1 3 254.334 -1.734 20 0 CAADHO COC(=O)CN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160531330 779965579 /nfs/dbraw/zinc/96/55/79/779965579.db2.gz LQNQOYZZXMRHKA-JTQLQIEISA-N 1 3 272.349 -1.630 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001160548084 779965723 /nfs/dbraw/zinc/96/57/23/779965723.db2.gz CIQLNAFWXBJRRL-ZJUUUORDSA-N 1 3 254.334 -1.353 20 0 CAADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596133 779968491 /nfs/dbraw/zinc/96/84/91/779968491.db2.gz CPKSVUBXORQPPN-WDEREUQCSA-N 1 3 297.355 -1.414 20 0 CAADHO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596131 779968529 /nfs/dbraw/zinc/96/85/29/779968529.db2.gz CPKSVUBXORQPPN-MNOVXSKESA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)C[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCO1 ZINC001160596200 779968610 /nfs/dbraw/zinc/96/86/10/779968610.db2.gz LTHGDHGQKJFEGI-NXEZZACHSA-N 1 3 273.333 -1.157 20 0 CAADHO CN1CCN(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)CC1=O ZINC001160635610 779969480 /nfs/dbraw/zinc/96/94/80/779969480.db2.gz LCJQFDINYUHTSD-LBPRGKRZSA-N 1 3 297.403 -1.573 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(CCF)CC1 ZINC001160628432 779969963 /nfs/dbraw/zinc/96/99/63/779969963.db2.gz DHKSIWHVWJHIOZ-LLVKDONJSA-N 1 3 270.352 -1.091 20 0 CAADHO CN1CCN(C2CN(C(=O)[C@H](N)CCC[NH3+])C2)CC1=O ZINC001160637669 779970947 /nfs/dbraw/zinc/97/09/47/779970947.db2.gz VJHVDUYXSUDXCX-LLVKDONJSA-N 1 3 283.376 -1.963 20 0 CAADHO O=C(N1CCN2C(=O)OC[C@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160640399 779971036 /nfs/dbraw/zinc/97/10/36/779971036.db2.gz ALQQXKACMATLKK-JTNHKYCSSA-N 1 3 294.355 -1.152 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641166 779971918 /nfs/dbraw/zinc/97/19/18/779971918.db2.gz WSINQXLYRMBSKL-RKDXNWHRSA-N 1 3 256.306 -1.284 20 0 CAADHO CN(C)C1(C)CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001160644955 779972113 /nfs/dbraw/zinc/97/21/13/779972113.db2.gz KOIZUKHZGFHTTN-JTQLQIEISA-N 1 3 268.361 -1.521 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001160644120 779972317 /nfs/dbraw/zinc/97/23/17/779972317.db2.gz SRWNCCMOHOVVLV-VHSXEESVSA-N 1 3 270.333 -2.497 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650044 779973883 /nfs/dbraw/zinc/97/38/83/779973883.db2.gz QKWCDYXCRQTVAG-VDQFEOQNSA-N 1 3 265.354 -1.020 20 0 CAADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@H]1O ZINC001160652805 779973893 /nfs/dbraw/zinc/97/38/93/779973893.db2.gz MERCQDWOSQOSNX-OPRDCNLKSA-N 1 3 270.333 -2.763 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654723 779975033 /nfs/dbraw/zinc/97/50/33/779975033.db2.gz AGNNNGNKRINEOX-XNDJQWLSSA-N 1 3 286.376 -1.604 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160658194 779975222 /nfs/dbraw/zinc/97/52/22/779975222.db2.gz QFHPCKLNUWFRAR-SECBINFHSA-N 1 3 288.373 -2.445 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652994 779975384 /nfs/dbraw/zinc/97/53/84/779975384.db2.gz TWZCALPWQJAEGV-IWSPIJDZSA-N 1 3 273.337 -2.317 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655123 779975570 /nfs/dbraw/zinc/97/55/70/779975570.db2.gz GVBFIRRBJSNXCN-YVRUXSQRSA-N 1 3 263.363 -1.997 20 0 CAADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]2C1 ZINC001160704377 779976574 /nfs/dbraw/zinc/97/65/74/779976574.db2.gz JUHWCPMGBRKABX-OUAUKWLOSA-N 1 3 283.376 -1.218 20 0 CAADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]2C1 ZINC001160704377 779976576 /nfs/dbraw/zinc/97/65/76/779976576.db2.gz JUHWCPMGBRKABX-OUAUKWLOSA-N 1 3 283.376 -1.218 20 0 CAADHO COC(CN(C)C(=O)[C@H]1C[NH2+]CC12CNC2)OC ZINC001160683981 779977308 /nfs/dbraw/zinc/97/73/08/779977308.db2.gz QJNZQWSNINUMOL-SECBINFHSA-N 1 3 257.334 -1.127 20 0 CAADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160696737 779977538 /nfs/dbraw/zinc/97/75/38/779977538.db2.gz YYVRJMRRUKIYHB-VXGBXAGGSA-N 1 3 282.388 -1.225 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160705675 779978591 /nfs/dbraw/zinc/97/85/91/779978591.db2.gz ZNPUJECWBGNKRL-GHMZBOCLSA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160705675 779978595 /nfs/dbraw/zinc/97/85/95/779978595.db2.gz ZNPUJECWBGNKRL-GHMZBOCLSA-N 1 3 296.371 -1.427 20 0 CAADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001160705399 779978619 /nfs/dbraw/zinc/97/86/19/779978619.db2.gz XLAWWHIALAQHBB-TUAOUCFPSA-N 1 3 280.372 -1.663 20 0 CAADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001160705399 779978621 /nfs/dbraw/zinc/97/86/21/779978621.db2.gz XLAWWHIALAQHBB-TUAOUCFPSA-N 1 3 280.372 -1.663 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160704687 779978914 /nfs/dbraw/zinc/97/89/14/779978914.db2.gz MZYDLWWYZJJPIF-WDEREUQCSA-N 1 3 286.376 -1.242 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1 ZINC001160705158 779979019 /nfs/dbraw/zinc/97/90/19/779979019.db2.gz SSQSSPWHSYYXQQ-GBIKHYSHSA-N 1 3 282.344 -2.102 20 0 CAADHO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCN2CCC1CC2 ZINC001160725895 779979459 /nfs/dbraw/zinc/97/94/59/779979459.db2.gz GZXHRRURRDTQFF-GFCCVEGCSA-N 1 3 280.372 -1.377 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771849 779980214 /nfs/dbraw/zinc/98/02/14/779980214.db2.gz HSMWANRXJKMWCJ-JTQLQIEISA-N 1 3 284.360 -1.440 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCn2nncc2C1 ZINC001160834056 779982558 /nfs/dbraw/zinc/98/25/58/779982558.db2.gz XSFJTMWZFZCIGY-VIFPVBQESA-N 1 3 270.362 -1.361 20 0 CAADHO CCOC(=O)[C@]12CN(C(=O)[C@H](CO)NC)C[C@H]1C[NH2+]CC2 ZINC001160812668 779982658 /nfs/dbraw/zinc/98/26/58/779982658.db2.gz RCYBCIVVQJEKKQ-UHIISALHSA-N 1 3 299.371 -1.432 20 0 CAADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CN)C[C@H]1C[NH2+]CC2 ZINC001160811105 779982827 /nfs/dbraw/zinc/98/28/27/779982827.db2.gz JBDDGWMFBCEACH-GBIKHYSHSA-N 1 3 284.360 -1.726 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791208 779982896 /nfs/dbraw/zinc/98/28/96/779982896.db2.gz ZHCCAMKTSODFNM-MNOVXSKESA-N 1 3 294.355 -2.135 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160837501 779983895 /nfs/dbraw/zinc/98/38/95/779983895.db2.gz ADZGBFXJMYDZBS-DCAQKATOSA-N 1 3 256.350 -1.678 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160839977 779983956 /nfs/dbraw/zinc/98/39/56/779983956.db2.gz SJWMLSDLWDPNLH-VWYCJHECSA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160838579 779984012 /nfs/dbraw/zinc/98/40/12/779984012.db2.gz KDWDWMSKLDINIA-DGCLKSJQSA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160839170 779984093 /nfs/dbraw/zinc/98/40/93/779984093.db2.gz OABNPFDIDUYTPZ-AXFHLTTASA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160838582 779984114 /nfs/dbraw/zinc/98/41/14/779984114.db2.gz KDWDWMSKLDINIA-YPMHNXCESA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160839443 779984181 /nfs/dbraw/zinc/98/41/81/779984181.db2.gz SJWMLSDLWDPNLH-GMTAPVOTSA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160839176 779984194 /nfs/dbraw/zinc/98/41/94/779984194.db2.gz OABNPFDIDUYTPZ-VWYCJHECSA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001160839394 779984297 /nfs/dbraw/zinc/98/42/97/779984297.db2.gz PLDLCBKYZWMNSZ-LLVKDONJSA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160837917 779984339 /nfs/dbraw/zinc/98/43/39/779984339.db2.gz FTDZRDSPRCDODE-JQWIXIFHSA-N 1 3 256.350 -1.534 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCN1C ZINC001160871441 779985232 /nfs/dbraw/zinc/98/52/32/779985232.db2.gz VJKGCWPUWRIRPV-NWDGAFQWSA-N 1 3 298.387 -1.371 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCN1C ZINC001160871594 779985521 /nfs/dbraw/zinc/98/55/21/779985521.db2.gz XWKZZDIRONYIOZ-WDEREUQCSA-N 1 3 296.371 -1.889 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCN1C ZINC001160871439 779985638 /nfs/dbraw/zinc/98/56/38/779985638.db2.gz VJKGCWPUWRIRPV-NEPJUHHUSA-N 1 3 298.387 -1.371 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCN1C ZINC001160871445 779985642 /nfs/dbraw/zinc/98/56/42/779985642.db2.gz VJKGCWPUWRIRPV-VXGBXAGGSA-N 1 3 298.387 -1.371 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCN1C ZINC001160871031 779985675 /nfs/dbraw/zinc/98/56/75/779985675.db2.gz PPBZDAXXZUCYLI-ZJUUUORDSA-N 1 3 272.349 -1.632 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000324 779988905 /nfs/dbraw/zinc/98/89/05/779988905.db2.gz RWZPYMOROWQLSH-NEPJUHHUSA-N 1 3 293.371 -1.005 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000324 779988912 /nfs/dbraw/zinc/98/89/12/779988912.db2.gz RWZPYMOROWQLSH-NEPJUHHUSA-N 1 3 293.371 -1.005 20 0 CAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161034889 779991598 /nfs/dbraw/zinc/99/15/98/779991598.db2.gz OJMYOPFIALUNJH-BDAKNGLRSA-N 1 3 252.318 -1.728 20 0 CAADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)C1(C)CC[NH2+]CC1 ZINC001161067295 779992891 /nfs/dbraw/zinc/99/28/91/779992891.db2.gz HMSFTPICVVJZIT-NSHDSACASA-N 1 3 282.388 -1.083 20 0 CAADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161093339 779994294 /nfs/dbraw/zinc/99/42/94/779994294.db2.gz LLMRJZJXPTWQIW-ZJUUUORDSA-N 1 3 273.333 -1.157 20 0 CAADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161093336 779994324 /nfs/dbraw/zinc/99/43/24/779994324.db2.gz LLMRJZJXPTWQIW-UWVGGRQHSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084287 779994587 /nfs/dbraw/zinc/99/45/87/779994587.db2.gz FHFIEJNJORHGFR-FXQIFTODSA-N 1 3 259.331 -1.468 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085165 779994757 /nfs/dbraw/zinc/99/47/57/779994757.db2.gz OMNUNSCZBYYBJK-YIZRAAEISA-N 1 3 251.286 -1.678 20 0 CAADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161093337 779994781 /nfs/dbraw/zinc/99/47/81/779994781.db2.gz LLMRJZJXPTWQIW-VHSXEESVSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)O2)C1CC[NH2+]CC1 ZINC001161085418 779994865 /nfs/dbraw/zinc/99/48/65/779994865.db2.gz WYPDHNNGGJFYLW-GUBZILKMSA-N 1 3 253.302 -1.160 20 0 CAADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161093758 779995608 /nfs/dbraw/zinc/99/56/08/779995608.db2.gz WIKZUAPHDSZIQT-WDEREUQCSA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161138355 779998082 /nfs/dbraw/zinc/99/80/82/779998082.db2.gz STCOGVGGGAQEAW-HONMWMINSA-N 1 3 296.371 -1.712 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161138781 779998804 /nfs/dbraw/zinc/99/88/04/779998804.db2.gz ZCBVWTPRNRIVHR-TVQRCGJNSA-N 1 3 282.344 -2.102 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161138780 779998839 /nfs/dbraw/zinc/99/88/39/779998839.db2.gz ZCBVWTPRNRIVHR-RNCFNFMXSA-N 1 3 282.344 -2.102 20 0 CAADHO CN(C(=O)[C@H]1COC2(CNC2)CN1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219834 780001405 /nfs/dbraw/zinc/00/14/05/780001405.db2.gz UICGLDLVYFYRAS-YTWAJWBKSA-N 1 3 266.345 -2.007 20 0 CAADHO CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219835 780002168 /nfs/dbraw/zinc/00/21/68/780002168.db2.gz UICGLDLVYFYRAS-ZRUFSTJUSA-N 1 3 266.345 -2.007 20 0 CAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161237262 780002996 /nfs/dbraw/zinc/00/29/96/780002996.db2.gz KFZANIVQYDOVIE-MNOVXSKESA-N 1 3 296.371 -1.889 20 0 CAADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161372479 780008639 /nfs/dbraw/zinc/00/86/39/780008639.db2.gz JOIFBCVUVGCAQU-SKDRFNHKSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN2CC[C@H]2C1 ZINC001161423501 780009648 /nfs/dbraw/zinc/00/96/48/780009648.db2.gz CCBRSHZSCCZBOJ-UWVGGRQHSA-N 1 3 258.391 -1.078 20 0 CAADHO NC[C@H](N)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382238 780010507 /nfs/dbraw/zinc/01/05/07/780010507.db2.gz VRFGFSVCIYNPHF-QWRGUYRKSA-N 1 3 256.350 -1.404 20 0 CAADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161373369 780011018 /nfs/dbraw/zinc/01/10/18/780011018.db2.gz PPNBJBLEBFFVNV-ZWNOBZJWSA-N 1 3 297.355 -1.414 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]12 ZINC001161414028 780011657 /nfs/dbraw/zinc/01/16/57/780011657.db2.gz SDLYJZUWZJZAQB-KKOKHZNYSA-N 1 3 280.372 -1.488 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414709 780012453 /nfs/dbraw/zinc/01/24/53/780012453.db2.gz YUJYYAGYZQFKHD-LNFKQOIKSA-N 1 3 283.376 -1.042 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161424055 780014337 /nfs/dbraw/zinc/01/43/37/780014337.db2.gz XMNZBYBCJRFWEM-OLZOCXBDSA-N 1 3 281.404 -1.347 20 0 CAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CN)CC2 ZINC001161478676 780015534 /nfs/dbraw/zinc/01/55/34/780015534.db2.gz NPPAJZGREOEMLK-HOTUBEGUSA-N 1 3 270.333 -1.974 20 0 CAADHO N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C1CC[NH2+]CC1 ZINC001161491644 780016652 /nfs/dbraw/zinc/01/66/52/780016652.db2.gz GYORJQKQYYTHNJ-TUAOUCFPSA-N 1 3 281.356 -1.013 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001161491997 780017170 /nfs/dbraw/zinc/01/71/70/780017170.db2.gz LNMPCHRUPZGIEC-HRDYMLBCSA-N 1 3 273.337 -2.053 20 0 CAADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC12COC2 ZINC001161509327 780018800 /nfs/dbraw/zinc/01/88/00/780018800.db2.gz IZIYTKVLGVVVRO-VHSXEESVSA-N 1 3 282.344 -2.497 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499789 780019256 /nfs/dbraw/zinc/01/92/56/780019256.db2.gz IIHGDHSTJNASPE-UWVGGRQHSA-N 1 3 265.317 -1.534 20 0 CAADHO [NH3+][C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CC12COC2 ZINC001161509323 780019328 /nfs/dbraw/zinc/01/93/28/780019328.db2.gz IZIYTKVLGVVVRO-NXEZZACHSA-N 1 3 282.344 -2.497 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499790 780019617 /nfs/dbraw/zinc/01/96/17/780019617.db2.gz IIHGDHSTJNASPE-VHSXEESVSA-N 1 3 265.317 -1.534 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509863 780019795 /nfs/dbraw/zinc/01/97/95/780019795.db2.gz LSURARNCCOXARQ-BDAKNGLRSA-N 1 3 285.348 -2.052 20 0 CAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(CN(C)C2)C1 ZINC001161532070 780020556 /nfs/dbraw/zinc/02/05/56/780020556.db2.gz MIFQZCZUTRIBHD-IUCAKERBSA-N 1 3 270.333 -2.415 20 0 CAADHO COCCOC1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161570988 780022443 /nfs/dbraw/zinc/02/24/43/780022443.db2.gz OFPQSUFONCBBRC-NSHDSACASA-N 1 3 269.345 -1.331 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCNC2(CC2)C1 ZINC001161550041 780023161 /nfs/dbraw/zinc/02/31/61/780023161.db2.gz AIXKMHDWMWUILS-VIFPVBQESA-N 1 3 258.391 -1.030 20 0 CAADHO CN1CCN(C)[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250358525 780028804 /nfs/dbraw/zinc/02/88/04/780028804.db2.gz AZSAAYLHCSZFET-WDEREUQCSA-N 1 3 256.350 -1.663 20 0 CAADHO CS(=O)(=O)N(c1cc(C2C[NH2+]C2)ncn1)C1CNC1 ZINC001166972582 780099418 /nfs/dbraw/zinc/09/94/18/780099418.db2.gz WFQFVYXAPBEJQU-UHFFFAOYSA-N 1 3 283.357 -1.099 20 0 CAADHO O=C(Nc1ncnc2n[nH]nc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218515952 780167587 /nfs/dbraw/zinc/16/75/87/780167587.db2.gz OXBUYTDPQRWGSU-LURJTMIESA-N 1 3 274.288 -1.505 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218563511 780170932 /nfs/dbraw/zinc/17/09/32/780170932.db2.gz CADIMUCBBSOWRQ-ZCFIWIBFSA-N 1 3 264.289 -1.744 20 0 CAADHO COC(=O)c1cncc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)n1 ZINC001218579276 780173135 /nfs/dbraw/zinc/17/31/35/780173135.db2.gz BKUHGLNZVCGAEP-RQJHMYQMSA-N 1 3 265.273 -1.109 20 0 CAADHO Nc1c(=O)c(=O)c1NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001218589265 780173397 /nfs/dbraw/zinc/17/33/97/780173397.db2.gz UXIFREBKBIXBLN-SSDOTTSWSA-N 1 3 278.312 -1.323 20 0 CAADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1nccnc1N ZINC001218623428 780177039 /nfs/dbraw/zinc/17/70/39/780177039.db2.gz MKFOJTJAPXLSNH-QMMMGPOBSA-N 1 3 262.317 -1.169 20 0 CAADHO Cn1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218629377 780178947 /nfs/dbraw/zinc/17/89/47/780178947.db2.gz TWEIMFZWONTMTN-LDYMZIIASA-N 1 3 250.306 -1.047 20 0 CAADHO Nc1cn(C(=O)[C@@H]2COC3(CNC3)CN2)ccc1=[NH2+] ZINC001218692946 780181028 /nfs/dbraw/zinc/18/10/28/780181028.db2.gz ZRILZXLSKYPAPD-JTQLQIEISA-N 1 3 263.301 -1.480 20 0 CAADHO NC(=O)c1cnoc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218701669 780181176 /nfs/dbraw/zinc/18/11/76/780181176.db2.gz CLROPWANFDYOBX-ZETCQYMHSA-N 1 3 265.273 -1.479 20 0 CAADHO Cn1nncc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218699802 780181573 /nfs/dbraw/zinc/18/15/73/780181573.db2.gz GROLJFYXTRTOME-LDYMZIIASA-N 1 3 250.306 -1.047 20 0 CAADHO CCN=c1ncc(N)cn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218739787 780183053 /nfs/dbraw/zinc/18/30/53/780183053.db2.gz IRYVZGTXKGNVFH-JTQLQIEISA-N 1 3 276.344 -1.165 20 0 CAADHO [NH3+]Cc1cncc(NC(=O)[C@@H]2COC3(CNC3)CN2)c1 ZINC001218703959 780183137 /nfs/dbraw/zinc/18/31/37/780183137.db2.gz KCIVIKZEQAPRMB-NSHDSACASA-N 1 3 277.328 -1.191 20 0 CAADHO CN1CCO[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219694123 780248491 /nfs/dbraw/zinc/24/84/91/780248491.db2.gz FPGLPVPWMNFVGM-UWVGGRQHSA-N 1 3 276.406 -1.548 20 0 CAADHO CC[NH+](CC)CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219555512 780230238 /nfs/dbraw/zinc/23/02/38/780230238.db2.gz CVEQYJDSKYIOAH-NSHDSACASA-N 1 3 270.377 -1.225 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219558776 780230258 /nfs/dbraw/zinc/23/02/58/780230258.db2.gz VMTYXFDBGSHSNG-OUAUKWLOSA-N 1 3 271.361 -1.282 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219558776 780230266 /nfs/dbraw/zinc/23/02/66/780230266.db2.gz VMTYXFDBGSHSNG-OUAUKWLOSA-N 1 3 271.361 -1.282 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219558775 780230362 /nfs/dbraw/zinc/23/03/62/780230362.db2.gz VMTYXFDBGSHSNG-GMTAPVOTSA-N 1 3 271.361 -1.282 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219558775 780230372 /nfs/dbraw/zinc/23/03/72/780230372.db2.gz VMTYXFDBGSHSNG-GMTAPVOTSA-N 1 3 271.361 -1.282 20 0 CAADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H](O)CO ZINC001219866042 780271963 /nfs/dbraw/zinc/27/19/63/780271963.db2.gz ZFVGDGQLLTUQIY-MNOVXSKESA-N 1 3 261.366 -1.049 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCCn1ccnn1 ZINC001219565825 780231539 /nfs/dbraw/zinc/23/15/39/780231539.db2.gz OTQQDEQWXJDPOD-QMMMGPOBSA-N 1 3 258.351 -1.587 20 0 CAADHO O=C(NCCn1ccnn1)[C@H]1C[NH2+]CC12CNC2 ZINC001219565383 780231618 /nfs/dbraw/zinc/23/16/18/780231618.db2.gz FGEJMOINUWZBEO-SECBINFHSA-N 1 3 250.306 -1.797 20 0 CAADHO O=C(NCCN1CCCCC1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219567422 780232149 /nfs/dbraw/zinc/23/21/49/780232149.db2.gz JWLWMXIRXVSOEY-LLVKDONJSA-N 1 3 280.372 -1.076 20 0 CAADHO O=C(NCCN1CCCCC1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219567423 780232318 /nfs/dbraw/zinc/23/23/18/780232318.db2.gz JWLWMXIRXVSOEY-NSHDSACASA-N 1 3 280.372 -1.076 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H](N)CCCNC(N)=O ZINC001219915961 780277026 /nfs/dbraw/zinc/27/70/26/780277026.db2.gz GASNNBMYARQNOG-DTWKUNHWSA-N 1 3 259.354 -1.172 20 0 CAADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C[NH2+]1 ZINC001219583498 780234321 /nfs/dbraw/zinc/23/43/21/780234321.db2.gz YUHNHVIHQBFJLC-DCAQKATOSA-N 1 3 268.361 -1.427 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]cn1 ZINC001219606382 780236738 /nfs/dbraw/zinc/23/67/38/780236738.db2.gz KLWVJXZCXQQJHP-NSHDSACASA-N 1 3 266.349 -1.224 20 0 CAADHO CS(=O)(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219607927 780237781 /nfs/dbraw/zinc/23/77/81/780237781.db2.gz HERLPMXAQUSLQO-VIFPVBQESA-N 1 3 263.363 -1.526 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219617745 780239847 /nfs/dbraw/zinc/23/98/47/780239847.db2.gz OSIJMXCBOYRVBQ-YRRQLQLVSA-N 1 3 286.351 -1.883 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945451 780279709 /nfs/dbraw/zinc/27/97/09/780279709.db2.gz KHSBYLBHFQLDCJ-BDAKNGLRSA-N 1 3 261.347 -1.130 20 0 CAADHO [NH3+]CCCNCC(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219619935 780242073 /nfs/dbraw/zinc/24/20/73/780242073.db2.gz RQECIVYFNJCUDO-GXSJLCMTSA-N 1 3 262.329 -1.897 20 0 CAADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1COC2(CNC2)CN1 ZINC001219635411 780243194 /nfs/dbraw/zinc/24/31/94/780243194.db2.gz FSAMOOKFNPSFTH-LPEHRKFASA-N 1 3 272.324 -1.867 20 0 CAADHO O=C(NCCN1CCCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219632291 780243435 /nfs/dbraw/zinc/24/34/35/780243435.db2.gz JZDVMLMTITZCLU-NSHDSACASA-N 1 3 268.361 -1.061 20 0 CAADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219641911 780245416 /nfs/dbraw/zinc/24/54/16/780245416.db2.gz MPWRZSGMDFWYQS-SDDRHHMPSA-N 1 3 282.388 -1.321 20 0 CAADHO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219672007 780247218 /nfs/dbraw/zinc/24/72/18/780247218.db2.gz ZXQYPVLBIBQLHS-CKYFFXLPSA-N 1 3 287.385 -1.511 20 0 CAADHO CN1CCO[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219694130 780248407 /nfs/dbraw/zinc/24/84/07/780248407.db2.gz FPGLPVPWMNFVGM-ZJUUUORDSA-N 1 3 276.406 -1.548 20 0 CAADHO CCOC(=O)CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219691659 780248919 /nfs/dbraw/zinc/24/89/19/780248919.db2.gz SVLKXBRLMCJTJZ-SECBINFHSA-N 1 3 255.318 -1.135 20 0 CAADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C[NH2+]1 ZINC001219683684 780249122 /nfs/dbraw/zinc/24/91/22/780249122.db2.gz DKSRVARWYCFDQF-MXWKQRLJSA-N 1 3 268.361 -1.569 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696890 780249913 /nfs/dbraw/zinc/24/99/13/780249913.db2.gz NHIIPDXUTQCBFA-WNWIJWBNSA-N 1 3 263.363 -2.077 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695255 780249925 /nfs/dbraw/zinc/24/99/25/780249925.db2.gz SKOGGJONBJKWIK-VIFPVBQESA-N 1 3 253.306 -1.880 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696884 780250561 /nfs/dbraw/zinc/25/05/61/780250561.db2.gz NHIIPDXUTQCBFA-QPFGOUBPSA-N 1 3 263.363 -2.077 20 0 CAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711657 780251792 /nfs/dbraw/zinc/25/17/92/780251792.db2.gz GEIHRXZXAPZHGQ-UKKRHICBSA-N 1 3 286.376 -1.687 20 0 CAADHO O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COC2(CNC2)CN1 ZINC001219712370 780251803 /nfs/dbraw/zinc/25/18/03/780251803.db2.gz OFGAOEDVCMLAQS-HRDYMLBCSA-N 1 3 256.306 -3.234 20 0 CAADHO Nc1nc(=O)[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219701999 780252434 /nfs/dbraw/zinc/25/24/34/780252434.db2.gz VGTKNUPKWWXNPE-JMCQJSRRSA-N 1 3 278.316 -1.098 20 0 CAADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712761 780252483 /nfs/dbraw/zinc/25/24/83/780252483.db2.gz VUAORGDROXMISS-IVZWLZJFSA-N 1 3 287.360 -1.245 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737086 780254767 /nfs/dbraw/zinc/25/47/67/780254767.db2.gz OLBQACUGMCDGQH-RYUDHWBXSA-N 1 3 293.371 -1.215 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737511 780254985 /nfs/dbraw/zinc/25/49/85/780254985.db2.gz XWGVRGYNSXTCFA-QWRGUYRKSA-N 1 3 279.344 -1.226 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737511 780254992 /nfs/dbraw/zinc/25/49/92/780254992.db2.gz XWGVRGYNSXTCFA-QWRGUYRKSA-N 1 3 279.344 -1.226 20 0 CAADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1COC2(CNC2)CN1 ZINC001219736748 780255044 /nfs/dbraw/zinc/25/50/44/780255044.db2.gz GMNAQMWPRYDPHE-WDEREUQCSA-N 1 3 296.371 -2.189 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737533 780255902 /nfs/dbraw/zinc/25/59/02/780255902.db2.gz YNALUCZRZQKDTE-NXEZZACHSA-N 1 3 299.375 -1.743 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737512 780255956 /nfs/dbraw/zinc/25/59/56/780255956.db2.gz XWGVRGYNSXTCFA-WDEREUQCSA-N 1 3 279.344 -1.226 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737512 780255958 /nfs/dbraw/zinc/25/59/58/780255958.db2.gz XWGVRGYNSXTCFA-WDEREUQCSA-N 1 3 279.344 -1.226 20 0 CAADHO NC[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743804 780256615 /nfs/dbraw/zinc/25/66/15/780256615.db2.gz MLRCJIPCCVMMTC-ZJUUUORDSA-N 1 3 256.350 -1.310 20 0 CAADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1COCN1 ZINC001219764876 780258788 /nfs/dbraw/zinc/25/87/88/780258788.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 1 3 254.334 -1.658 20 0 CAADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1COCN1 ZINC001219764876 780258793 /nfs/dbraw/zinc/25/87/93/780258793.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 1 3 254.334 -1.658 20 0 CAADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1COCN1 ZINC001219764876 780258797 /nfs/dbraw/zinc/25/87/97/780258797.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 1 3 254.334 -1.658 20 0 CAADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001219767808 780259121 /nfs/dbraw/zinc/25/91/21/780259121.db2.gz FIYPEZYOYJCWFS-PWSUYJOCSA-N 1 3 286.351 -1.475 20 0 CAADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1COC2(CNC2)CN1 ZINC001219773332 780261311 /nfs/dbraw/zinc/26/13/11/780261311.db2.gz QKRBMLOHNOXNDE-GFCCVEGCSA-N 1 3 294.399 -1.035 20 0 CAADHO NC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787819 780261405 /nfs/dbraw/zinc/26/14/05/780261405.db2.gz LYCGVRTXBZAOJB-JQWIXIFHSA-N 1 3 265.361 -1.000 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219811332 780262196 /nfs/dbraw/zinc/26/21/96/780262196.db2.gz PIBURRVZFYAWIM-VIFPVBQESA-N 1 3 299.400 -1.044 20 0 CAADHO [NH3+][C@H]1CN[C@H](C(=O)NCc2noc3c2CNCC3)C1 ZINC001219810918 780263130 /nfs/dbraw/zinc/26/31/30/780263130.db2.gz HCGPJRIGGHRPJO-APPZFPTMSA-N 1 3 265.317 -1.374 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813101 780264192 /nfs/dbraw/zinc/26/41/92/780264192.db2.gz OAZHNRRFIVNWQB-NDMJEZRESA-N 1 3 279.344 -1.368 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813101 780264196 /nfs/dbraw/zinc/26/41/96/780264196.db2.gz OAZHNRRFIVNWQB-NDMJEZRESA-N 1 3 279.344 -1.368 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831601 780264235 /nfs/dbraw/zinc/26/42/35/780264235.db2.gz QDVVXYSKEQUPRX-XEZLXBQYSA-N 1 3 293.371 -1.217 20 0 CAADHO NC1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835111 780266319 /nfs/dbraw/zinc/26/63/19/780266319.db2.gz WTGOQJQQKPOCDG-JQWIXIFHSA-N 1 3 269.345 -1.011 20 0 CAADHO NC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833561 780266460 /nfs/dbraw/zinc/26/64/60/780266460.db2.gz DYRZCUBZMLNUAY-JBLDHEPKSA-N 1 3 272.349 -2.216 20 0 CAADHO NC1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835113 780266635 /nfs/dbraw/zinc/26/66/35/780266635.db2.gz WTGOQJQQKPOCDG-ZYHUDNBSSA-N 1 3 269.345 -1.011 20 0 CAADHO N[C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC(O)CC1 ZINC001219856562 780269402 /nfs/dbraw/zinc/26/94/02/780269402.db2.gz RTGUYYAWETYNJD-XCZAXNGRSA-N 1 3 283.372 -1.032 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856229 780269590 /nfs/dbraw/zinc/26/95/90/780269590.db2.gz CPPOFCIGANLXPV-RCCSRFJXSA-N 1 3 275.374 -1.815 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854740 780270058 /nfs/dbraw/zinc/27/00/58/780270058.db2.gz SBINAHOXRLNQHN-VPOLOUISSA-N 1 3 265.317 -1.618 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854740 780270067 /nfs/dbraw/zinc/27/00/67/780270067.db2.gz SBINAHOXRLNQHN-VPOLOUISSA-N 1 3 265.317 -1.618 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)O ZINC001219879678 780270857 /nfs/dbraw/zinc/27/08/57/780270857.db2.gz JOGHOILIJKUSMD-VGMNWLOBSA-N 1 3 261.322 -1.519 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H](C)O ZINC001219879369 780271280 /nfs/dbraw/zinc/27/12/80/780271280.db2.gz FFWYPDSNFGRCRG-HLTSFMKQSA-N 1 3 271.317 -2.166 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC[NH3+])C(N)=O ZINC001219872736 780271303 /nfs/dbraw/zinc/27/13/03/780271303.db2.gz UPYMXXVEAHGVPV-NKWVEPMBSA-N 1 3 259.310 -2.841 20 0 CAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[NH3+])COC1(C)C ZINC001219872794 780271920 /nfs/dbraw/zinc/27/19/20/780271920.db2.gz XMMNGVPQSHEVGU-YUMQZZPRSA-N 1 3 258.322 -1.628 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H](C)O ZINC001219880747 780272735 /nfs/dbraw/zinc/27/27/35/780272735.db2.gz HZPPQPNDPYWATO-JEZHCXPESA-N 1 3 273.333 -1.648 20 0 CAADHO CCOC(=O)CC(=N)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219883216 780273251 /nfs/dbraw/zinc/27/32/51/780273251.db2.gz RTOARAKCZONTSP-QMMMGPOBSA-N 1 3 268.317 -1.158 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219915787 780273445 /nfs/dbraw/zinc/27/34/45/780273445.db2.gz AZBMDROTPZRSPG-UWVGGRQHSA-N 1 3 256.350 -1.617 20 0 CAADHO CCOC(=O)CC(=N)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219883215 780273452 /nfs/dbraw/zinc/27/34/52/780273452.db2.gz RTOARAKCZONTSP-MRVPVSSYSA-N 1 3 268.317 -1.158 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219890685 780274325 /nfs/dbraw/zinc/27/43/25/780274325.db2.gz JSODJAJIFFDXJC-MJVIPROJSA-N 1 3 278.356 -1.468 20 0 CAADHO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219890931 780274480 /nfs/dbraw/zinc/27/44/80/780274480.db2.gz MJHZZFQPVODAOV-JFGNBEQYSA-N 1 3 286.401 -1.257 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219890284 780274549 /nfs/dbraw/zinc/27/45/49/780274549.db2.gz GMMRAEGOQXWEKK-MXYBEHONSA-N 1 3 292.383 -1.078 20 0 CAADHO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219890285 780274608 /nfs/dbraw/zinc/27/46/08/780274608.db2.gz GMMRAEGOQXWEKK-QHSBEEBCSA-N 1 3 292.383 -1.078 20 0 CAADHO O=C(NCC[NH2+]CCO)[C@@H]1COC2(CNC2)CN1 ZINC001219918414 780276686 /nfs/dbraw/zinc/27/66/86/780276686.db2.gz LFWVOHPUIWUAPY-VIFPVBQESA-N 1 3 258.322 -2.985 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC001219915824 780277059 /nfs/dbraw/zinc/27/70/59/780277059.db2.gz BVVCVCGYSQXMEU-CIUDSAMLSA-N 1 3 287.364 -2.240 20 0 CAADHO O=C(NCC[NH2+]CCO)[C@H]1COC2(CNC2)CN1 ZINC001219918413 780277131 /nfs/dbraw/zinc/27/71/31/780277131.db2.gz LFWVOHPUIWUAPY-SECBINFHSA-N 1 3 258.322 -2.985 20 0 CAADHO C[C@H](C[NH+](C)C)NC(=O)[C@H](N)CCCNC(N)=O ZINC001219915962 780277547 /nfs/dbraw/zinc/27/75/47/780277547.db2.gz GASNNBMYARQNOG-RKDXNWHRSA-N 1 3 259.354 -1.172 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959173 780280906 /nfs/dbraw/zinc/28/09/06/780280906.db2.gz LGKDQOJWOVUBPG-SFYZADRCSA-N 1 3 260.363 -1.600 20 0 CAADHO O=C(NC[C@H]1CCC(=O)N1)[C@H]1C[NH2+]CC12CNC2 ZINC001219959496 780281320 /nfs/dbraw/zinc/28/13/20/780281320.db2.gz XCRATLWPPQTRAC-RKDXNWHRSA-N 1 3 252.318 -1.810 20 0 CAADHO N[C@H](C(=O)NC[C@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959547 780282241 /nfs/dbraw/zinc/28/22/41/780282241.db2.gz YMQHRUWVMLLVHW-KOLCDFICSA-N 1 3 254.334 -1.292 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219961548 780282371 /nfs/dbraw/zinc/28/23/71/780282371.db2.gz OFJLVWYLNHCITB-JTQLQIEISA-N 1 3 294.421 -1.289 20 0 CAADHO N[C@@H](C(=O)NC[C@@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959546 780282654 /nfs/dbraw/zinc/28/26/54/780282654.db2.gz YMQHRUWVMLLVHW-GXSJLCMTSA-N 1 3 254.334 -1.292 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])CN1 ZINC001219965087 780282811 /nfs/dbraw/zinc/28/28/11/780282811.db2.gz BFJRGJBOADBHNM-UTLUCORTSA-N 1 3 272.349 -1.538 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001219961426 780283359 /nfs/dbraw/zinc/28/33/59/780283359.db2.gz KGPZVLYZBNHOCR-QMMMGPOBSA-N 1 3 266.367 -1.892 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001219960980 780283483 /nfs/dbraw/zinc/28/34/83/780283483.db2.gz DOZSDRJGODFPLP-ZETCQYMHSA-N 1 3 252.340 -2.282 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CN1 ZINC001219965417 780283545 /nfs/dbraw/zinc/28/35/45/780283545.db2.gz MRCMCPJTLIDTAL-NJBDSQKTSA-N 1 3 296.371 -1.795 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CN1 ZINC001219967601 780284082 /nfs/dbraw/zinc/28/40/82/780284082.db2.gz BQCJJNKSPQNWSY-VGMNWLOBSA-N 1 3 290.389 -1.975 20 0 CAADHO [NH3+][C@@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969490 780284588 /nfs/dbraw/zinc/28/45/88/780284588.db2.gz BTFNGQIENUOPDC-GHMZBOCLSA-N 1 3 281.360 -1.059 20 0 CAADHO COC(=O)C1(NC(=O)[C@H](N)Cc2c[nH]cn2)CC[NH2+]CC1 ZINC001219998838 780287939 /nfs/dbraw/zinc/28/79/39/780287939.db2.gz CRULLMDIGZXNKA-SNVBAGLBSA-N 1 3 295.343 -1.309 20 0 CAADHO CN1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCC1=O ZINC001220007596 780289286 /nfs/dbraw/zinc/28/92/86/780289286.db2.gz QGZUFQZCQXXJQU-UHIISALHSA-N 1 3 280.372 -1.078 20 0 CAADHO CN1C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CCC1=O ZINC001220006707 780289931 /nfs/dbraw/zinc/28/99/31/780289931.db2.gz AEOICXWQMUXDLC-BDAKNGLRSA-N 1 3 274.390 -1.257 20 0 CAADHO N=c1cc(C[NH3+])ncn1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220020360 780291043 /nfs/dbraw/zinc/29/10/43/780291043.db2.gz GDVXZBUONWZJPV-SECBINFHSA-N 1 3 261.289 -1.245 20 0 CAADHO CCOC(=O)c1nnc(CNC(=O)[C@@H](N)CCC[NH3+])o1 ZINC001220011394 780291474 /nfs/dbraw/zinc/29/14/74/780291474.db2.gz WEPILDHQRNSXRS-ZETCQYMHSA-N 1 3 285.304 -1.071 20 0 CAADHO CC(C)[C@@](C)(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220023243 780292457 /nfs/dbraw/zinc/29/24/57/780292457.db2.gz SGIUXSRLWXDGLX-BXKDBHETSA-N 1 3 268.361 -1.188 20 0 CAADHO CC(C)[C@](C)(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220023246 780292557 /nfs/dbraw/zinc/29/25/57/780292557.db2.gz SGIUXSRLWXDGLX-SKDRFNHKSA-N 1 3 268.361 -1.188 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020905 780292989 /nfs/dbraw/zinc/29/29/89/780292989.db2.gz ZKQCYFWIJUYZRA-JTQLQIEISA-N 1 3 275.316 -1.235 20 0 CAADHO N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220020645 780293494 /nfs/dbraw/zinc/29/34/94/780293494.db2.gz QCXYBPIGZCYWJL-VIFPVBQESA-N 1 3 278.316 -2.208 20 0 CAADHO N[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030315 780294035 /nfs/dbraw/zinc/29/40/35/780294035.db2.gz BUDOPLGVLSTHBT-PSASIEDQSA-N 1 3 268.317 -1.765 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028630 780294305 /nfs/dbraw/zinc/29/43/05/780294305.db2.gz ZSMZCHFTUFLHPC-UWVGGRQHSA-N 1 3 284.360 -1.033 20 0 CAADHO CC(C)(CNC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220034378 780296761 /nfs/dbraw/zinc/29/67/61/780296761.db2.gz XSJNBCZKXZWXRN-MRVPVSSYSA-N 1 3 254.334 -1.577 20 0 CAADHO C[NH2+]CCNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220055905 780299502 /nfs/dbraw/zinc/29/95/02/780299502.db2.gz HBXZDKQXMWJBDA-JGVFFNPUSA-N 1 3 273.337 -2.581 20 0 CAADHO C[NH2+]CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220055951 780299736 /nfs/dbraw/zinc/29/97/36/780299736.db2.gz JNQPYDCCRHEFDX-BQBZGAKWSA-N 1 3 259.310 -2.971 20 0 CAADHO CCC(CO)(CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220109833 780306480 /nfs/dbraw/zinc/30/64/80/780306480.db2.gz MWDLRMBWCAWSMG-ZWNOBZJWSA-N 1 3 271.361 -1.565 20 0 CAADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220141809 780310110 /nfs/dbraw/zinc/31/01/10/780310110.db2.gz XAEPMQJIDBTHPG-GMTAPVOTSA-N 1 3 269.345 -1.285 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220145609 780311103 /nfs/dbraw/zinc/31/11/03/780311103.db2.gz IPMPKGJNMDYKFI-QMMMGPOBSA-N 1 3 296.418 -2.234 20 0 CAADHO [NH3+]CC1(NC(=O)[C@H]2COC3(CNC3)CN2)COC1 ZINC001220154029 780311973 /nfs/dbraw/zinc/31/19/73/780311973.db2.gz IFUGMONIQWEYGU-MRVPVSSYSA-N 1 3 256.306 -2.839 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220145912 780312078 /nfs/dbraw/zinc/31/20/78/780312078.db2.gz VZEAIRVYXSUESZ-SNVBAGLBSA-N 1 3 290.389 -1.927 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220145861 780312152 /nfs/dbraw/zinc/31/21/52/780312152.db2.gz UAJWUVAHDVIGKJ-VIFPVBQESA-N 1 3 278.378 -1.797 20 0 CAADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220149970 780312388 /nfs/dbraw/zinc/31/23/88/780312388.db2.gz LDFCFVRBMUIMBE-KXUCPTDWSA-N 1 3 254.334 -1.830 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220145979 780312404 /nfs/dbraw/zinc/31/24/04/780312404.db2.gz YIKKNEKUZPZZOJ-VIFPVBQESA-N 1 3 288.373 -2.445 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220152199 780312522 /nfs/dbraw/zinc/31/25/22/780312522.db2.gz YIZYDFLQFFRVHM-JTQLQIEISA-N 1 3 259.350 -1.308 20 0 CAADHO [NH3+]CC1(NC(=O)[C@@H]2COC3(CNC3)CN2)COC1 ZINC001220154030 780312546 /nfs/dbraw/zinc/31/25/46/780312546.db2.gz IFUGMONIQWEYGU-QMMMGPOBSA-N 1 3 256.306 -2.839 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159989 780314654 /nfs/dbraw/zinc/31/46/54/780314654.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 1 3 283.420 -1.053 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NC1(C[NH3+])COC1 ZINC001220154792 780314888 /nfs/dbraw/zinc/31/48/88/780314888.db2.gz YSQGTONJEQREKU-VIFPVBQESA-N 1 3 253.306 -1.866 20 0 CAADHO O=C(N[C@H]1COCCC12OCCO2)[C@H]1C[NH2+]CC12CNC2 ZINC001220173038 780315437 /nfs/dbraw/zinc/31/54/37/780315437.db2.gz HBUQMJFWBVTKKK-MNOVXSKESA-N 1 3 297.355 -1.556 20 0 CAADHO N[C@@H](C(=O)N[C@@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173277 780315511 /nfs/dbraw/zinc/31/55/11/780315511.db2.gz MBLNQAYNLPNWLF-VXGBXAGGSA-N 1 3 299.371 -1.039 20 0 CAADHO N[C@@H](C(=O)N[C@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173275 780315662 /nfs/dbraw/zinc/31/56/62/780315662.db2.gz MBLNQAYNLPNWLF-NWDGAFQWSA-N 1 3 299.371 -1.039 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170798 780315899 /nfs/dbraw/zinc/31/58/99/780315899.db2.gz VAWAHZIUIJSNLU-ZJUUUORDSA-N 1 3 273.333 -1.299 20 0 CAADHO O=C(N[C@H]1COCCC12OCCO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220173039 780316123 /nfs/dbraw/zinc/31/61/23/780316123.db2.gz HBUQMJFWBVTKKK-QWRGUYRKSA-N 1 3 297.355 -1.556 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170796 780316250 /nfs/dbraw/zinc/31/62/50/780316250.db2.gz VAWAHZIUIJSNLU-UWVGGRQHSA-N 1 3 273.333 -1.299 20 0 CAADHO O=C(N[C@@H]1COCCC12OCCO2)[C@H]1C[NH2+]CC12CNC2 ZINC001220173037 780316368 /nfs/dbraw/zinc/31/63/68/780316368.db2.gz HBUQMJFWBVTKKK-GHMZBOCLSA-N 1 3 297.355 -1.556 20 0 CAADHO Cn1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1=O ZINC001220178974 780317635 /nfs/dbraw/zinc/31/76/35/780317635.db2.gz CAXOGWXSHKFLSU-LLVKDONJSA-N 1 3 276.340 -1.190 20 0 CAADHO O=C(NCC1(N2CCCC2)COC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220197724 780318247 /nfs/dbraw/zinc/31/82/47/780318247.db2.gz PZEPEYSTMHCWQB-GFCCVEGCSA-N 1 3 294.399 -1.224 20 0 CAADHO O=C(NCC1(N2CCCC2)COC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220197725 780318575 /nfs/dbraw/zinc/31/85/75/780318575.db2.gz PZEPEYSTMHCWQB-LBPRGKRZSA-N 1 3 294.399 -1.224 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220202910 780320483 /nfs/dbraw/zinc/32/04/83/780320483.db2.gz PFYBJMBLSPRMOI-OPQQBVKSSA-N 1 3 266.345 -1.562 20 0 CAADHO N[C@@H](C(=O)NC[C@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202841 780320658 /nfs/dbraw/zinc/32/06/58/780320658.db2.gz LSZVAQJTZHHLPQ-LDYMZIIASA-N 1 3 254.334 -1.434 20 0 CAADHO CCOC(=O)CC1(NC(=O)[C@H](N)CCC[NH3+])COC1 ZINC001220214689 780320754 /nfs/dbraw/zinc/32/07/54/780320754.db2.gz DVICXLYHKUFNFI-SECBINFHSA-N 1 3 273.333 -1.109 20 0 CAADHO CCOC(=O)CC1(NC(=O)[C@@H](N)CCC[NH3+])COC1 ZINC001220214690 780320914 /nfs/dbraw/zinc/32/09/14/780320914.db2.gz DVICXLYHKUFNFI-VIFPVBQESA-N 1 3 273.333 -1.109 20 0 CAADHO O=C(NCCc1cnccn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220243091 780323102 /nfs/dbraw/zinc/32/31/02/780323102.db2.gz OTVSXENUEROZEN-LLVKDONJSA-N 1 3 261.329 -1.056 20 0 CAADHO O=C(NCCc1cnccn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220243092 780323227 /nfs/dbraw/zinc/32/32/27/780323227.db2.gz OTVSXENUEROZEN-NSHDSACASA-N 1 3 261.329 -1.056 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)CC1=O ZINC001220245406 780324740 /nfs/dbraw/zinc/32/47/40/780324740.db2.gz QOBHJGMZTRDZJH-BXKDBHETSA-N 1 3 268.361 -1.092 20 0 CAADHO CN1C[C@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1=O ZINC001220245407 780325800 /nfs/dbraw/zinc/32/58/00/780325800.db2.gz QOBHJGMZTRDZJH-CABZTGNLSA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220252060 780326647 /nfs/dbraw/zinc/32/66/47/780326647.db2.gz NDJNSZHSIBTLLB-NEPJUHHUSA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220252060 780326655 /nfs/dbraw/zinc/32/66/55/780326655.db2.gz NDJNSZHSIBTLLB-NEPJUHHUSA-N 1 3 282.388 -1.083 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nc[nH]n1 ZINC001220249822 780326954 /nfs/dbraw/zinc/32/69/54/780326954.db2.gz CQKVHKKWGDHVST-SECBINFHSA-N 1 3 267.337 -1.829 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220268819 780328219 /nfs/dbraw/zinc/32/82/19/780328219.db2.gz QIEGTGSEEMHUOB-VIFPVBQESA-N 1 3 280.394 -1.550 20 0 CAADHO COCCn1cncc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220274872 780329397 /nfs/dbraw/zinc/32/93/97/780329397.db2.gz RGEUJPZSZAVMKT-GFCCVEGCSA-N 1 3 293.371 -1.045 20 0 CAADHO COC(C)(CNC(=O)[C@H]1C[NH2+]CC12CNC2)OC ZINC001220509095 780357851 /nfs/dbraw/zinc/35/78/51/780357851.db2.gz KNQCOHYDTRMWKE-SECBINFHSA-N 1 3 257.334 -1.079 20 0 CAADHO NC(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220274617 780330464 /nfs/dbraw/zinc/33/04/64/780330464.db2.gz KWKJNVGXIWQOBO-SECBINFHSA-N 1 3 254.334 -1.148 20 0 CAADHO NC(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220274617 780330474 /nfs/dbraw/zinc/33/04/74/780330474.db2.gz KWKJNVGXIWQOBO-SECBINFHSA-N 1 3 254.334 -1.148 20 0 CAADHO O=C(N[C@H]1COC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220296084 780331148 /nfs/dbraw/zinc/33/11/48/780331148.db2.gz GPTFXWFYZUEGIV-KBVBSXBZSA-N 1 3 253.302 -1.383 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316391 780331995 /nfs/dbraw/zinc/33/19/95/780331995.db2.gz OVSZDLWQKHMVMJ-YUMQZZPRSA-N 1 3 276.362 -2.363 20 0 CAADHO [NH3+]C[C@@H](O)CC(=O)NCc1ncn2c1CNCCC2 ZINC001220310442 780333982 /nfs/dbraw/zinc/33/39/82/780333982.db2.gz AOQFPTREKJDIGO-VIFPVBQESA-N 1 3 267.333 -1.298 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315665 780335216 /nfs/dbraw/zinc/33/52/16/780335216.db2.gz GTGYVOLUHSABOS-MNOVXSKESA-N 1 3 286.376 -1.323 20 0 CAADHO N[C@H](C(=O)NC[C@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316408 780335686 /nfs/dbraw/zinc/33/56/86/780335686.db2.gz PAJRFNNDSCBGBJ-KOLCDFICSA-N 1 3 270.333 -2.056 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220317206 780336822 /nfs/dbraw/zinc/33/68/22/780336822.db2.gz WVBXOGSQYDHGMW-DTWKUNHWSA-N 1 3 268.317 -2.573 20 0 CAADHO NC(=O)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220329164 780337628 /nfs/dbraw/zinc/33/76/28/780337628.db2.gz IBZOAPRHDRFUMD-SOCHQFKDSA-N 1 3 256.306 -2.852 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H](CO)C(N)=O ZINC001220329288 780338060 /nfs/dbraw/zinc/33/80/60/780338060.db2.gz LLNPQRXYZBYDQW-DTWKUNHWSA-N 1 3 260.338 -1.992 20 0 CAADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n(N)c(=O)c1 ZINC001220324127 780338396 /nfs/dbraw/zinc/33/83/96/780338396.db2.gz YIULFIPCXAQZGS-VIFPVBQESA-N 1 3 277.328 -1.382 20 0 CAADHO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)nn1 ZINC001220343407 780339885 /nfs/dbraw/zinc/33/98/85/780339885.db2.gz NFMYTLHFQKQNPG-JTQLQIEISA-N 1 3 277.328 -1.090 20 0 CAADHO COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220373599 780340612 /nfs/dbraw/zinc/34/06/12/780340612.db2.gz TZHTYZNZMFVORP-ZETCQYMHSA-N 1 3 279.300 -1.056 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCN(C)CC1 ZINC001220345905 780340865 /nfs/dbraw/zinc/34/08/65/780340865.db2.gz SDPXPKGTWPIZDA-MNOVXSKESA-N 1 3 298.387 -1.181 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220381028 780342770 /nfs/dbraw/zinc/34/27/70/780342770.db2.gz FYWYDHZDHQPUSX-WDEREUQCSA-N 1 3 268.361 -1.758 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220382402 780342835 /nfs/dbraw/zinc/34/28/35/780342835.db2.gz WHAWCFCJKPSPRB-NWDGAFQWSA-N 1 3 270.377 -1.240 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220381564 780343361 /nfs/dbraw/zinc/34/33/61/780343361.db2.gz LETUFBBSNGXQKL-QWRGUYRKSA-N 1 3 258.366 -1.111 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@@H](N)CCC[NH3+])[nH]c1=O ZINC001220424855 780346903 /nfs/dbraw/zinc/34/69/03/780346903.db2.gz WOKQTDXXJUBOBU-LURJTMIESA-N 1 3 255.278 -1.509 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)[nH]c1=O ZINC001220424866 780348593 /nfs/dbraw/zinc/34/85/93/780348593.db2.gz WZZXPWFNTBPGGP-SSDOTTSWSA-N 1 3 279.300 -1.767 20 0 CAADHO N[C@H](C(=O)N1C[C@H](O)C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001220481340 780353913 /nfs/dbraw/zinc/35/39/13/780353913.db2.gz DMIRMARDKNSQAA-MXWKQRLJSA-N 1 3 257.334 -1.733 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220515569 780357274 /nfs/dbraw/zinc/35/72/74/780357274.db2.gz GNUUVCMLEFGZFY-SECBINFHSA-N 1 3 274.369 -2.231 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CCNC1 ZINC001220522827 780359054 /nfs/dbraw/zinc/35/90/54/780359054.db2.gz FXKRVTXLATVJMC-ONGXEEELSA-N 1 3 283.328 -1.507 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CCNC1 ZINC001220523775 780359089 /nfs/dbraw/zinc/35/90/89/780359089.db2.gz UBIJCFJAIJVUBY-QWRGUYRKSA-N 1 3 283.328 -1.364 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CCNC1 ZINC001220523320 780359119 /nfs/dbraw/zinc/35/91/19/780359119.db2.gz MGGSOTIEIGZJHX-WPRPVWTQSA-N 1 3 282.344 -1.540 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CCNC1 ZINC001220522823 780359298 /nfs/dbraw/zinc/35/92/98/780359298.db2.gz FXKRVTXLATVJMC-KOLCDFICSA-N 1 3 283.328 -1.507 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCNC1 ZINC001220521423 780359854 /nfs/dbraw/zinc/35/98/54/780359854.db2.gz GKGQVIKGPDXPCW-LDYMZIIASA-N 1 3 283.328 -1.364 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CCNC1 ZINC001220523774 780359929 /nfs/dbraw/zinc/35/99/29/780359929.db2.gz UBIJCFJAIJVUBY-MNOVXSKESA-N 1 3 283.328 -1.364 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCN(C)CC[NH3+] ZINC001220517694 780360087 /nfs/dbraw/zinc/36/00/87/780360087.db2.gz WFDSKNNDOALHAC-JQWIXIFHSA-N 1 3 287.408 -1.517 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519487 780360172 /nfs/dbraw/zinc/36/01/72/780360172.db2.gz PXWKPVDWYHOWJT-OVWNDWIMSA-N 1 3 295.405 -1.810 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220575819 780365683 /nfs/dbraw/zinc/36/56/83/780365683.db2.gz MDMAGSBHPMBKBT-NSHDSACASA-N 1 3 286.332 -2.281 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220574583 780365783 /nfs/dbraw/zinc/36/57/83/780365783.db2.gz BEMIEBLBZPFBPN-NOZJJQNGSA-N 1 3 298.343 -2.409 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220576312 780366315 /nfs/dbraw/zinc/36/63/15/780366315.db2.gz XMCQIYOVUWIACE-QMMMGPOBSA-N 1 3 284.316 -2.799 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)Cc1cncn1C ZINC001220583679 780367083 /nfs/dbraw/zinc/36/70/83/780367083.db2.gz UHEYWAVERUNLGM-NSHDSACASA-N 1 3 297.359 -1.360 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220583096 780367394 /nfs/dbraw/zinc/36/73/94/780367394.db2.gz DHZRNAIMNFEVCP-JTQLQIEISA-N 1 3 283.332 -1.370 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220576311 780367570 /nfs/dbraw/zinc/36/75/70/780367570.db2.gz XMCQIYOVUWIACE-MRVPVSSYSA-N 1 3 284.316 -2.799 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220599597 780369249 /nfs/dbraw/zinc/36/92/49/780369249.db2.gz YEIUXLFGWMDMDU-VIFPVBQESA-N 1 3 260.363 -1.648 20 0 CAADHO NC[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651627 780371870 /nfs/dbraw/zinc/37/18/70/780371870.db2.gz MTBNXPXOUCTFSG-LBPRGKRZSA-N 1 3 277.372 -1.002 20 0 CAADHO C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220725431 780375660 /nfs/dbraw/zinc/37/56/60/780375660.db2.gz RLVRFFZLGOJVCH-NEPJUHHUSA-N 1 3 282.388 -1.368 20 0 CAADHO C[C@H]1COCCN1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220723473 780376249 /nfs/dbraw/zinc/37/62/49/780376249.db2.gz AHYLELWDMDHHST-QWRGUYRKSA-N 1 3 290.433 -1.158 20 0 CAADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220756945 780378201 /nfs/dbraw/zinc/37/82/01/780378201.db2.gz OQARQHCSVWMYHU-ONGXEEELSA-N 1 3 268.361 -1.316 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)Cc2c[nH]cn2)C[NH2+]C1 ZINC001220825640 780383193 /nfs/dbraw/zinc/38/31/93/780383193.db2.gz PIHMMUNDCBAHHG-JTQLQIEISA-N 1 3 293.327 -1.184 20 0 CAADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220857451 780389519 /nfs/dbraw/zinc/38/95/19/780389519.db2.gz COIRYAUHYDDPFY-ZJUUUORDSA-N 1 3 270.377 -1.194 20 0 CAADHO CCOC(=O)C1(NC(=O)CNCCC[NH3+])CNC1 ZINC001220851384 780389568 /nfs/dbraw/zinc/38/95/68/780389568.db2.gz UPMHQQXGCMTDNG-UHFFFAOYSA-N 1 3 258.322 -2.054 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220877403 780389952 /nfs/dbraw/zinc/38/99/52/780389952.db2.gz YROKYGQSTGRRBC-JTQLQIEISA-N 1 3 298.343 -1.890 20 0 CAADHO [NH3+][C@@H]1CN[C@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220875240 780390118 /nfs/dbraw/zinc/39/01/18/780390118.db2.gz YWJHQLUSHDOXGU-IUCAKERBSA-N 1 3 255.322 -2.776 20 0 CAADHO N[C@@H]1C[NH2+][C@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220875240 780390129 /nfs/dbraw/zinc/39/01/29/780390129.db2.gz YWJHQLUSHDOXGU-IUCAKERBSA-N 1 3 255.322 -2.776 20 0 CAADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884769 780392587 /nfs/dbraw/zinc/39/25/87/780392587.db2.gz MOJYVTPDFYBZOA-IUCAKERBSA-N 1 3 257.338 -1.370 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884770 780392888 /nfs/dbraw/zinc/39/28/88/780392888.db2.gz MOJYVTPDFYBZOA-RKDXNWHRSA-N 1 3 257.338 -1.370 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889930 780394007 /nfs/dbraw/zinc/39/40/07/780394007.db2.gz QRRGBVNOLHKYTR-CIUDSAMLSA-N 1 3 285.348 -2.438 20 0 CAADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001220906949 780394272 /nfs/dbraw/zinc/39/42/72/780394272.db2.gz DKGPVCYYPCDFFI-QWRGUYRKSA-N 1 3 280.372 -1.078 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937138 780395452 /nfs/dbraw/zinc/39/54/52/780395452.db2.gz MSQSTUKCXYUAAX-RAALSFIWSA-N 1 3 277.390 -1.423 20 0 CAADHO N=c1ncc(C[NH3+])cn1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001220951030 780396633 /nfs/dbraw/zinc/39/66/33/780396633.db2.gz NXAJFQUDDDXKJN-SECBINFHSA-N 1 3 261.289 -1.245 20 0 CAADHO O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001220936478 780397093 /nfs/dbraw/zinc/39/70/93/780397093.db2.gz FYQJOISTHLBSFW-WDEREUQCSA-N 1 3 284.360 -2.189 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937329 780397506 /nfs/dbraw/zinc/39/75/06/780397506.db2.gz PDRRANWJMNFPLO-NEPJUHHUSA-N 1 3 281.360 -1.215 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937135 780397522 /nfs/dbraw/zinc/39/75/22/780397522.db2.gz MSQSTUKCXYUAAX-AUSHCKSDSA-N 1 3 277.390 -1.423 20 0 CAADHO N=c1ncc(C[NH3+])cn1C(=O)CN1CCCC[C@H](N)C1=O ZINC001220951372 780397837 /nfs/dbraw/zinc/39/78/37/780397837.db2.gz YWGQFABVDYMSBT-JTQLQIEISA-N 1 3 292.343 -1.199 20 0 CAADHO N[C@H]1CCCCN(CC(=O)NCCO[C@H]2CC[NH2+]C2)C1=O ZINC001220937378 780398068 /nfs/dbraw/zinc/39/80/68/780398068.db2.gz QGDZFYXRQZFWSY-RYUDHWBXSA-N 1 3 298.387 -1.179 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937411 780398122 /nfs/dbraw/zinc/39/81/22/780398122.db2.gz QUQBBOXLRFWQMG-QWRGUYRKSA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937411 780398129 /nfs/dbraw/zinc/39/81/29/780398129.db2.gz QUQBBOXLRFWQMG-QWRGUYRKSA-N 1 3 267.333 -1.226 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950731 780398725 /nfs/dbraw/zinc/39/87/25/780398725.db2.gz DPTDNNYVWHVISM-JTQLQIEISA-N 1 3 275.316 -1.235 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937480 780399165 /nfs/dbraw/zinc/39/91/65/780399165.db2.gz SNONKEHNDZHIBY-VHSXEESVSA-N 1 3 287.364 -1.743 20 0 CAADHO COC(=O)CC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001221018567 780402020 /nfs/dbraw/zinc/40/20/20/780402020.db2.gz FRTZMKVAYKIMAO-IUCAKERBSA-N 1 3 298.343 -2.281 20 0 CAADHO COC(=O)CC[C@H](NC(=O)[C@H](N)CCC[NH3+])C(N)=O ZINC001221018345 780402238 /nfs/dbraw/zinc/40/22/38/780402238.db2.gz AQVDWPCEZGPHEI-SFYZADRCSA-N 1 3 274.321 -2.024 20 0 CAADHO CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001221234748 780407062 /nfs/dbraw/zinc/40/70/62/780407062.db2.gz LOOQOXOHYPASJR-ZJUUUORDSA-N 1 3 268.361 -1.044 20 0 CAADHO N[C@H](C(=O)NC1CN(C2COC2)C1)C1CC[NH2+]CC1 ZINC001221246085 780408527 /nfs/dbraw/zinc/40/85/27/780408527.db2.gz OUXXLDDGDCGHQC-LBPRGKRZSA-N 1 3 268.361 -1.488 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254808 780408675 /nfs/dbraw/zinc/40/86/75/780408675.db2.gz UOEURHSDTCHXIF-GUBZILKMSA-N 1 3 299.375 -2.238 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254808 780408676 /nfs/dbraw/zinc/40/86/76/780408676.db2.gz UOEURHSDTCHXIF-GUBZILKMSA-N 1 3 299.375 -2.238 20 0 CAADHO N[C@H](C(=O)NC1=CC(=O)NCC1)C1CC[NH2+]CC1 ZINC001221316696 780414810 /nfs/dbraw/zinc/41/48/10/780414810.db2.gz MMTSUTIYMWJLTM-NSHDSACASA-N 1 3 252.318 -1.167 20 0 CAADHO O=C(NC1=CC(=O)NCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221317174 780414874 /nfs/dbraw/zinc/41/48/74/780414874.db2.gz YETJHSGVRJZLMM-SECBINFHSA-N 1 3 250.302 -1.685 20 0 CAADHO Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(N)nc1=O ZINC001221332119 780416523 /nfs/dbraw/zinc/41/65/23/780416523.db2.gz XQXKHFYGMHIULL-JMCQJSRRSA-N 1 3 278.316 -1.510 20 0 CAADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1COC2(CNC2)CN1 ZINC001221367306 780416998 /nfs/dbraw/zinc/41/69/98/780416998.db2.gz PMFGHTFPZUCHIE-OPRDCNLKSA-N 1 3 272.324 -1.867 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221367698 780417633 /nfs/dbraw/zinc/41/76/33/780417633.db2.gz AJVKZMCBVYKTHP-BDAKNGLRSA-N 1 3 266.345 -1.564 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221367701 780417793 /nfs/dbraw/zinc/41/77/93/780417793.db2.gz AJVKZMCBVYKTHP-RKDXNWHRSA-N 1 3 266.345 -1.564 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221371497 780419254 /nfs/dbraw/zinc/41/92/54/780419254.db2.gz YLKKBNQGOHHZBX-RQJHMYQMSA-N 1 3 262.335 -1.770 20 0 CAADHO N[C@@H](C(=O)NC[C@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370796 780419440 /nfs/dbraw/zinc/41/94/40/780419440.db2.gz UIVVVIVEOASPGY-DTWKUNHWSA-N 1 3 256.306 -1.462 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001221407501 780420295 /nfs/dbraw/zinc/42/02/95/780420295.db2.gz ZGZKRFYOWADEMO-ZJUUUORDSA-N 1 3 257.334 -1.718 20 0 CAADHO CN1CCC(CO)(NC(=O)CNC2CC[NH2+]CC2)CC1 ZINC001221402610 780420607 /nfs/dbraw/zinc/42/06/07/780420607.db2.gz JQCFEYRSTOTRQA-UHFFFAOYSA-N 1 3 284.404 -1.099 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001221403588 780420704 /nfs/dbraw/zinc/42/07/04/780420704.db2.gz CKBOCRZDZNLMIO-UWVGGRQHSA-N 1 3 256.350 -1.894 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001221403464 780420750 /nfs/dbraw/zinc/42/07/50/780420750.db2.gz SYWMZBLWMJPOMP-ZDUSSCGKSA-N 1 3 270.377 -1.360 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221402697 780420756 /nfs/dbraw/zinc/42/07/56/780420756.db2.gz KLPCCATUPFEDGN-VHSXEESVSA-N 1 3 257.334 -1.860 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001221407500 780420800 /nfs/dbraw/zinc/42/08/00/780420800.db2.gz ZGZKRFYOWADEMO-UWVGGRQHSA-N 1 3 257.334 -1.718 20 0 CAADHO Cc1nnc(CNC(=O)[C@@H](N)CSCC[NH3+])[nH]1 ZINC001221410813 780422443 /nfs/dbraw/zinc/42/24/43/780422443.db2.gz ZVDFQEXFYRHWMR-ZETCQYMHSA-N 1 3 258.351 -1.251 20 0 CAADHO CC1(C)[NH2+]C[C@@H](CN2CCNC(=O)C23CNC3)O1 ZINC001235072069 780488404 /nfs/dbraw/zinc/48/84/04/780488404.db2.gz ZKSOPIMZPBUGBL-VIFPVBQESA-N 1 3 254.334 -1.515 20 0 CAADHO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](CCN)C2 ZINC001235543364 780492603 /nfs/dbraw/zinc/49/26/03/780492603.db2.gz WXXWAOMICFURBQ-YPMHNXCESA-N 1 3 271.361 -1.002 20 0 CAADHO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](CCN)C2 ZINC001235543364 780492608 /nfs/dbraw/zinc/49/26/08/780492608.db2.gz WXXWAOMICFURBQ-YPMHNXCESA-N 1 3 271.361 -1.002 20 0 CAADHO COC(=O)[C@@H]1CNCCN1CC[C@H]1C[NH2+]CCO1 ZINC001236053218 780495482 /nfs/dbraw/zinc/49/54/82/780495482.db2.gz REDFMDRYWBDPRI-QWRGUYRKSA-N 1 3 257.334 -1.188 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1C[NH2+]C[C@@H]1O ZINC001238124530 780514945 /nfs/dbraw/zinc/51/49/45/780514945.db2.gz WRBPSVKQODZAHS-UWVGGRQHSA-N 1 3 263.363 -1.762 20 0 CAADHO COC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238355275 780517540 /nfs/dbraw/zinc/51/75/40/780517540.db2.gz FHDFNWRKKUCEHU-ZJUUUORDSA-N 1 3 293.389 -1.062 20 0 CAADHO NCCS(=O)(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238328691 780517831 /nfs/dbraw/zinc/51/78/31/780517831.db2.gz TUDDUMBIVKODEL-MNOVXSKESA-N 1 3 293.389 -1.740 20 0 CAADHO O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331208 780517910 /nfs/dbraw/zinc/51/79/10/780517910.db2.gz NDRLPXURGOHSKE-KOLCDFICSA-N 1 3 288.373 -1.764 20 0 CAADHO NC(=O)[C@@H](N)CCCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238836712 780522671 /nfs/dbraw/zinc/52/26/71/780522671.db2.gz PBBSJKQXPXJISB-JTQLQIEISA-N 1 3 292.405 -1.359 20 0 CAADHO NCCS(=O)(=O)N[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238812874 780523028 /nfs/dbraw/zinc/52/30/28/780523028.db2.gz QQWOKLYVCNMAHP-SNVBAGLBSA-N 1 3 276.406 -1.309 20 0 CAADHO COC(=O)CC1(NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238807213 780523472 /nfs/dbraw/zinc/52/34/72/780523472.db2.gz DUVAKXBWIXIRGQ-UHFFFAOYSA-N 1 3 279.362 -1.450 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCOCC12CNC2 ZINC001239027445 780528500 /nfs/dbraw/zinc/52/85/00/780528500.db2.gz UTOLRUZCOYKXHF-UHFFFAOYSA-N 1 3 289.401 -1.010 20 0 CAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)CCN ZINC001239060741 780529001 /nfs/dbraw/zinc/52/90/01/780529001.db2.gz CSIJSGHCVUGXEY-LPEHRKFASA-N 1 3 291.373 -1.500 20 0 CAADHO C[NH+](C)CCCN1CCN(S(=O)(=O)CCN)CC1 ZINC001239096530 780529679 /nfs/dbraw/zinc/52/96/79/780529679.db2.gz GWQBXWZMJVFZSD-UHFFFAOYSA-N 1 3 278.422 -1.156 20 0 CAADHO NCCS(=O)(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001239101289 780529838 /nfs/dbraw/zinc/52/98/38/780529838.db2.gz HYEUGWXEQDIKHI-UHFFFAOYSA-N 1 3 290.433 -1.012 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CCN ZINC001239098669 780529852 /nfs/dbraw/zinc/52/98/52/780529852.db2.gz FJUUJJDEXFGXAB-RQJHMYQMSA-N 1 3 251.308 -2.151 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001239113085 780531292 /nfs/dbraw/zinc/53/12/92/780531292.db2.gz OOLXRMAHCGGCGU-SNVBAGLBSA-N 1 3 262.379 -1.618 20 0 CAADHO CN(CCN1CC[NH2+]CC1)S(=O)(=O)CCN ZINC001239114048 780531331 /nfs/dbraw/zinc/53/13/31/780531331.db2.gz SEWHFUJLSVMBCP-UHFFFAOYSA-N 1 3 250.368 -1.888 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001239114034 780531416 /nfs/dbraw/zinc/53/14/16/780531416.db2.gz RJESMLONMPHSJR-LLVKDONJSA-N 1 3 276.406 -1.370 20 0 CAADHO NCCS(=O)(=O)N1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001239113084 780531425 /nfs/dbraw/zinc/53/14/25/780531425.db2.gz OOLXRMAHCGGCGU-JTQLQIEISA-N 1 3 262.379 -1.618 20 0 CAADHO NCCS(=O)(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001239119589 780531971 /nfs/dbraw/zinc/53/19/71/780531971.db2.gz GZZFJRFFYUKXGP-SECBINFHSA-N 1 3 263.363 -1.536 20 0 CAADHO COC(=O)[C@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984741 780538989 /nfs/dbraw/zinc/53/89/89/780538989.db2.gz JVBVWWRCRJHHEI-GHMZBOCLSA-N 1 3 271.361 -1.016 20 0 CAADHO O[C@H](CNC1CN(C2CC[NH2+]CC2)C1)CN1CCOCC1 ZINC001245987129 780539809 /nfs/dbraw/zinc/53/98/09/780539809.db2.gz CFUBSXYSEPVIKX-OAHLLOKOSA-N 1 3 298.431 -1.295 20 0 CAADHO CCOC(=O)[C@]12C[N@H+](C[C@H](O)CO)C[C@H]1CNCC2 ZINC001246048697 780540744 /nfs/dbraw/zinc/54/07/44/780540744.db2.gz ZXQYZDDYJSHIQD-NTZNESFSSA-N 1 3 272.345 -1.186 20 0 CAADHO CCOC(=O)[C@]12C[N@@H+](C[C@H](O)CO)C[C@H]1CNCC2 ZINC001246048697 780540747 /nfs/dbraw/zinc/54/07/47/780540747.db2.gz ZXQYZDDYJSHIQD-NTZNESFSSA-N 1 3 272.345 -1.186 20 0 CAADHO [NH3+]C[C@@]1(O)CCCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001246022421 780541559 /nfs/dbraw/zinc/54/15/59/780541559.db2.gz NUWHUEKWCXHDEH-KBPBESRZSA-N 1 3 287.404 -1.145 20 0 CAADHO O=S1(=O)CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246080979 780542913 /nfs/dbraw/zinc/54/29/13/780542913.db2.gz IAJZRJQCWFXDBT-KXUCPTDWSA-N 1 3 266.338 -1.174 20 0 CAADHO COC(=O)[C@@H]1CNCCN1C[C@]1(O)CCC[NH2+]C1 ZINC001246049921 780542939 /nfs/dbraw/zinc/54/29/39/780542939.db2.gz SRYBJUVKCWBLON-JQWIXIFHSA-N 1 3 257.334 -1.452 20 0 CAADHO COC(=O)[C@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246085034 780544567 /nfs/dbraw/zinc/54/45/67/780544567.db2.gz VNOOCDXOOVUJQG-MIZYBKAJSA-N 1 3 275.324 -1.458 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1 ZINC001246081216 780544687 /nfs/dbraw/zinc/54/46/87/780544687.db2.gz JEMQAOYUKSRMHJ-MPPDQPJWSA-N 1 3 289.351 -1.068 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246085036 780544699 /nfs/dbraw/zinc/54/46/99/780544699.db2.gz VNOOCDXOOVUJQG-QFOLPQNPSA-N 1 3 275.324 -1.458 20 0 CAADHO O=C1C[C@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)N3)N1 ZINC001246144310 780545788 /nfs/dbraw/zinc/54/57/88/780545788.db2.gz KDWYZCDJEYUWJI-NOJOXAQASA-N 1 3 266.345 -1.327 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN(C)CCO)CN1 ZINC001246491108 780555501 /nfs/dbraw/zinc/55/55/01/780555501.db2.gz OCFRKUCWRNYLEB-MNOVXSKESA-N 1 3 259.350 -1.206 20 0 CAADHO CS(=O)(=O)N1CC(N[C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246218558 780548086 /nfs/dbraw/zinc/54/80/86/780548086.db2.gz UYUWQXMLXQXGMU-VIFPVBQESA-N 1 3 274.390 -1.686 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCCNC2)CN1 ZINC001246234799 780549522 /nfs/dbraw/zinc/54/95/22/780549522.db2.gz WOVKDVNGEKGSPN-GMXVVIOVSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCCNC2)CN1 ZINC001246234807 780549792 /nfs/dbraw/zinc/54/97/92/780549792.db2.gz WOVKDVNGEKGSPN-MDZLAQPJSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NCCOCCOCC[NH3+])CN1 ZINC001246286400 780550861 /nfs/dbraw/zinc/55/08/61/780550861.db2.gz XJMHSBOZRKEXGM-MNOVXSKESA-N 1 3 275.349 -1.529 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2O)CN1 ZINC001246310169 780551006 /nfs/dbraw/zinc/55/10/06/780551006.db2.gz MXRXECUWBFQVOE-NAKRPEOUSA-N 1 3 257.334 -1.408 20 0 CAADHO NC(=O)C[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246445298 780553118 /nfs/dbraw/zinc/55/31/18/780553118.db2.gz WOTJVNJIUGNOEV-SFYZADRCSA-N 1 3 255.322 -2.601 20 0 CAADHO CC[C@]1(C(=O)OC)C[C@@H](NCCNCC[NH3+])CN1 ZINC001246405408 780553254 /nfs/dbraw/zinc/55/32/54/780553254.db2.gz OMDAYNXMOMKPNN-ZYHUDNBSSA-N 1 3 258.366 -1.192 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246420086 780553534 /nfs/dbraw/zinc/55/35/34/780553534.db2.gz WNQSMGWZBQKRRM-DCAQKATOSA-N 1 3 286.376 -1.148 20 0 CAADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001246412423 780554058 /nfs/dbraw/zinc/55/40/58/780554058.db2.gz DBYYECLTMARBGO-IUCAKERBSA-N 1 3 263.363 -1.254 20 0 CAADHO NC(=O)C[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246445299 780554159 /nfs/dbraw/zinc/55/41/59/780554159.db2.gz WOTJVNJIUGNOEV-YUMQZZPRSA-N 1 3 255.322 -2.601 20 0 CAADHO COC(=O)[C@@H]1C[C@H](NCCO[C@H]2CC[NH2+]C2)CN1 ZINC001246372188 780554264 /nfs/dbraw/zinc/55/42/64/780554264.db2.gz YKLHFJYABYQIRJ-DCAQKATOSA-N 1 3 257.334 -1.142 20 0 CAADHO CN(CC(=O)N1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522394 780557484 /nfs/dbraw/zinc/55/74/84/780557484.db2.gz COPVHGTZITYUMR-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO C[C@@H](CC(=O)N1CCOCC1)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575388 780557518 /nfs/dbraw/zinc/55/75/18/780557518.db2.gz CDAITZMYSNKUFD-SDDRHHMPSA-N 1 3 271.361 -1.125 20 0 CAADHO COC(=O)[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691862 780561785 /nfs/dbraw/zinc/56/17/85/780561785.db2.gz GAQKNQRZLHSSRD-WDEREUQCSA-N 1 3 268.361 -1.473 20 0 CAADHO C[NH+]1CCC(CO)(NC[C@H](O)CN2CCOCC2)CC1 ZINC001251048071 780573235 /nfs/dbraw/zinc/57/32/35/780573235.db2.gz BXZRXMPOBZRFMA-ZDUSSCGKSA-N 1 3 287.404 -1.274 20 0 CAADHO C[NH+]1CCC(CO)(NC[C@@H](O)CN2CCOCC2)CC1 ZINC001251048070 780573534 /nfs/dbraw/zinc/57/35/34/780573534.db2.gz BXZRXMPOBZRFMA-CYBMUJFWSA-N 1 3 287.404 -1.274 20 0 CAADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@H]1CC(=O)NC1=O ZINC001253209968 780592646 /nfs/dbraw/zinc/59/26/46/780592646.db2.gz JZDFUIASALYRJJ-ZJUUUORDSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]CCN(CCN[C@H]1CCS(=O)(=O)C1)N(O)N=O ZINC001254325604 780603738 /nfs/dbraw/zinc/60/37/38/780603738.db2.gz YKXZSMNJJGYJJE-QMMMGPOBSA-N 1 3 281.338 -1.689 20 0 CAADHO CCOC(=O)CN1CCC(NC[C@H](O)C[NH3+])CC1 ZINC001254390492 780604428 /nfs/dbraw/zinc/60/44/28/780604428.db2.gz KULIVXZTBKUAGQ-LLVKDONJSA-N 1 3 259.350 -1.077 20 0 CAADHO NC(=O)CNC(=O)C[NH2+]C1CCN(C2CC2)CC1 ZINC001256074130 780620464 /nfs/dbraw/zinc/62/04/64/780620464.db2.gz LXLWFNBSZPQCBO-UHFFFAOYSA-N 1 3 254.334 -1.196 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH2+]CC1 ZINC001261489623 780666765 /nfs/dbraw/zinc/66/67/65/780666765.db2.gz AOXNRFWVABOZQD-NSHDSACASA-N 1 3 256.350 -1.046 20 0 CAADHO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@H]1CNCCO1 ZINC001261578659 780672878 /nfs/dbraw/zinc/67/28/78/780672878.db2.gz LFZCPIVTYQGNRP-SECBINFHSA-N 1 3 268.317 -1.351 20 0 CAADHO COC(=O)CC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001263061408 780718633 /nfs/dbraw/zinc/71/86/33/780718633.db2.gz PMTFYFFQYSSVDM-LLVKDONJSA-N 1 3 286.376 -1.322 20 0 CAADHO COCCNCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263168410 780722153 /nfs/dbraw/zinc/72/21/53/780722153.db2.gz MFNYKAIZBQOSEM-LLVKDONJSA-N 1 3 259.350 -1.205 20 0 CAADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001263163420 780722180 /nfs/dbraw/zinc/72/21/80/780722180.db2.gz OYRHSAJJRSXUFF-LBPRGKRZSA-N 1 3 269.345 -1.308 20 0 CAADHO COCCOC[C@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000702571158 780768650 /nfs/dbraw/zinc/76/86/50/780768650.db2.gz WMALMCRVIPMZCO-NEPJUHHUSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571158 780768658 /nfs/dbraw/zinc/76/86/58/780768658.db2.gz WMALMCRVIPMZCO-NEPJUHHUSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@H](O)CNC[C@]1(O)CC[N@H+](C)C1 ZINC000702571164 780769247 /nfs/dbraw/zinc/76/92/47/780769247.db2.gz WMALMCRVIPMZCO-VXGBXAGGSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@H](O)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000702571164 780769249 /nfs/dbraw/zinc/76/92/49/780769249.db2.gz WMALMCRVIPMZCO-VXGBXAGGSA-N 1 3 262.350 -1.334 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135511185 781373048 /nfs/dbraw/zinc/37/30/48/781373048.db2.gz KMKOIATXYJVWDG-SNVBAGLBSA-N 1 3 284.360 -1.161 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135511680 781374922 /nfs/dbraw/zinc/37/49/22/781374922.db2.gz YLKUKBBECFXADB-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH+]1CCC(OCC(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001135958482 781388819 /nfs/dbraw/zinc/38/88/19/781388819.db2.gz AHBWFRBPKFRRKH-LBPRGKRZSA-N 1 3 298.387 -1.309 20 0 CAADHO CNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959363 781389212 /nfs/dbraw/zinc/38/92/12/781389212.db2.gz PJVMQOSXSQEGLJ-UHFFFAOYSA-N 1 3 286.376 -1.451 20 0 CAADHO C[NH+]1CCC(OCC(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001135958481 781390178 /nfs/dbraw/zinc/39/01/78/781390178.db2.gz AHBWFRBPKFRRKH-GFCCVEGCSA-N 1 3 298.387 -1.309 20 0 CAADHO COC(=O)[C@@H]1C[C@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246074705 781400687 /nfs/dbraw/zinc/40/06/87/781400687.db2.gz BSUPUGIMROXKFV-SRVKXCTJSA-N 1 3 270.377 -1.227 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](N[C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246074706 781401279 /nfs/dbraw/zinc/40/12/79/781401279.db2.gz BSUPUGIMROXKFV-TUAOUCFPSA-N 1 3 270.377 -1.227 20 0 CAADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001159917524 781410201 /nfs/dbraw/zinc/41/02/01/781410201.db2.gz YVAWIBQUXMKNHX-NSHDSACASA-N 1 3 299.375 -1.383 20 0 CAADHO COC(=O)[C@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246420177 781434747 /nfs/dbraw/zinc/43/47/47/781434747.db2.gz XCWDMMPWVYZKDT-LPEHRKFASA-N 1 3 272.349 -1.538 20 0 CAADHO C[C@@H](CC(=O)N1CCOCC1)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246577647 781461208 /nfs/dbraw/zinc/46/12/08/781461208.db2.gz CDAITZMYSNKUFD-SRVKXCTJSA-N 1 3 271.361 -1.125 20 0 CAADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885987 781523530 /nfs/dbraw/zinc/52/35/30/781523530.db2.gz RCCRNSDGGUOXRA-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885987 781523538 /nfs/dbraw/zinc/52/35/38/781523538.db2.gz RCCRNSDGGUOXRA-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791209 781478285 /nfs/dbraw/zinc/47/82/85/781478285.db2.gz ZHCCAMKTSODFNM-QWRGUYRKSA-N 1 3 294.355 -2.135 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791210 781478339 /nfs/dbraw/zinc/47/83/39/781478339.db2.gz ZHCCAMKTSODFNM-WDEREUQCSA-N 1 3 294.355 -2.135 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160968243 781485105 /nfs/dbraw/zinc/48/51/05/781485105.db2.gz RLLXKCZCGCZNLD-HTQZYQBOSA-N 1 3 293.318 -1.043 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001147886033 781522582 /nfs/dbraw/zinc/52/25/82/781522582.db2.gz RTNQEKDJUDHWMC-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001147886033 781522588 /nfs/dbraw/zinc/52/25/88/781522588.db2.gz RTNQEKDJUDHWMC-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885989 781522703 /nfs/dbraw/zinc/52/27/03/781522703.db2.gz RCCRNSDGGUOXRA-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885989 781522711 /nfs/dbraw/zinc/52/27/11/781522711.db2.gz RCCRNSDGGUOXRA-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCN[C@H]1CCCNC1=O ZINC001147847983 781522783 /nfs/dbraw/zinc/52/27/83/781522783.db2.gz BWYIANZVMIYXML-NSHDSACASA-N 1 3 286.376 -1.451 20 0 CAADHO CCCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841820 781522885 /nfs/dbraw/zinc/52/28/85/781522885.db2.gz JOACDAUUKVOXAK-UHFFFAOYSA-N 1 3 288.392 -1.203 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001147885607 781523000 /nfs/dbraw/zinc/52/30/00/781523000.db2.gz NNLMFVXTEBKQGS-WDEREUQCSA-N 1 3 296.371 -1.161 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001147885607 781523005 /nfs/dbraw/zinc/52/30/05/781523005.db2.gz NNLMFVXTEBKQGS-WDEREUQCSA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147891935 781523355 /nfs/dbraw/zinc/52/33/55/781523355.db2.gz FKSIJDHMJHXYTF-NSHDSACASA-N 1 3 288.392 -1.253 20 0 CAADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885988 781523427 /nfs/dbraw/zinc/52/34/27/781523427.db2.gz RCCRNSDGGUOXRA-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885988 781523433 /nfs/dbraw/zinc/52/34/33/781523433.db2.gz RCCRNSDGGUOXRA-VHSXEESVSA-N 1 3 256.350 -1.092 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001147885605 781523474 /nfs/dbraw/zinc/52/34/74/781523474.db2.gz NNLMFVXTEBKQGS-QWRGUYRKSA-N 1 3 296.371 -1.161 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001147885605 781523477 /nfs/dbraw/zinc/52/34/77/781523477.db2.gz NNLMFVXTEBKQGS-QWRGUYRKSA-N 1 3 296.371 -1.161 20 0 CAADHO CCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842305 781523575 /nfs/dbraw/zinc/52/35/75/781523575.db2.gz QSIFYIXJQRIGLQ-UHFFFAOYSA-N 1 3 274.365 -1.594 20 0 CAADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147848528 781524006 /nfs/dbraw/zinc/52/40/06/781524006.db2.gz ONESROACESEVQD-VIFPVBQESA-N 1 3 260.338 -1.856 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCN[C@@H]1CCNC1=O ZINC001147848656 781524014 /nfs/dbraw/zinc/52/40/14/781524014.db2.gz RUMNIOFPTLMBHL-SNVBAGLBSA-N 1 3 272.349 -1.841 20 0 CAADHO CC[C@@H](NCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892609 781524476 /nfs/dbraw/zinc/52/44/76/781524476.db2.gz KSVNOQNHUXFZSZ-SNVBAGLBSA-N 1 3 274.365 -1.466 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891967 781525058 /nfs/dbraw/zinc/52/50/58/781525058.db2.gz FUZDFMVBINUCFA-SNVBAGLBSA-N 1 3 274.365 -1.595 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899929 781525141 /nfs/dbraw/zinc/52/51/41/781525141.db2.gz CUDSEOBUGXMJNI-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899929 781525146 /nfs/dbraw/zinc/52/51/46/781525146.db2.gz CUDSEOBUGXMJNI-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147977146 781526790 /nfs/dbraw/zinc/52/67/90/781526790.db2.gz LBHOFPJYDMUIEM-SECBINFHSA-N 1 3 254.334 -1.338 20 0 CAADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001148000451 781527322 /nfs/dbraw/zinc/52/73/22/781527322.db2.gz PUAPIEKDGGFLBT-VIFPVBQESA-N 1 3 297.359 -1.629 20 0 CAADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001147977699 781527535 /nfs/dbraw/zinc/52/75/35/781527535.db2.gz WJWZMLUJGMMEQO-JTQLQIEISA-N 1 3 294.355 -1.407 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148642443 781537057 /nfs/dbraw/zinc/53/70/57/781537057.db2.gz JCFZEZGALGHNCR-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161138603 781539241 /nfs/dbraw/zinc/53/92/41/781539241.db2.gz WWEJSVWVUFUEKZ-CABZTGNLSA-N 1 3 272.349 -1.455 20 0 CAADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001179481909 781649696 /nfs/dbraw/zinc/64/96/96/781649696.db2.gz MHDAHTRXHQBWMV-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO CCN(CC)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001180391280 781664421 /nfs/dbraw/zinc/66/44/21/781664421.db2.gz RZEHRCXHYSKPOR-UHFFFAOYSA-N 1 3 276.341 -1.007 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001151056351 781698575 /nfs/dbraw/zinc/69/85/75/781698575.db2.gz LNPMVYNHOQGPNV-NXEZZACHSA-N 1 3 282.344 -1.551 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001151056351 781698579 /nfs/dbraw/zinc/69/85/79/781698579.db2.gz LNPMVYNHOQGPNV-NXEZZACHSA-N 1 3 282.344 -1.551 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001151056354 781700182 /nfs/dbraw/zinc/70/01/82/781700182.db2.gz LNPMVYNHOQGPNV-ZJUUUORDSA-N 1 3 282.344 -1.551 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001151056354 781700184 /nfs/dbraw/zinc/70/01/84/781700184.db2.gz LNPMVYNHOQGPNV-ZJUUUORDSA-N 1 3 282.344 -1.551 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065937 781701084 /nfs/dbraw/zinc/70/10/84/781701084.db2.gz OKLIUMFEYNTBGC-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065937 781701089 /nfs/dbraw/zinc/70/10/89/781701089.db2.gz OKLIUMFEYNTBGC-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151065705 781701311 /nfs/dbraw/zinc/70/13/11/781701311.db2.gz NCVVGEILDYYNRN-QWRGUYRKSA-N 1 3 268.361 -1.125 20 0 CAADHO CN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151065705 781701317 /nfs/dbraw/zinc/70/13/17/781701317.db2.gz NCVVGEILDYYNRN-QWRGUYRKSA-N 1 3 268.361 -1.125 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)C1(O)CCN(C)CC1 ZINC001182036079 781704372 /nfs/dbraw/zinc/70/43/72/781704372.db2.gz LBRRATAXRAZPMQ-UHFFFAOYSA-N 1 3 287.360 -1.207 20 0 CAADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185401415 781784810 /nfs/dbraw/zinc/78/48/10/781784810.db2.gz PRMDQEPSROZPRR-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001185408715 781784827 /nfs/dbraw/zinc/78/48/27/781784827.db2.gz WYLTULSFZCEJSN-MNOVXSKESA-N 1 3 296.371 -1.066 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407928 781785788 /nfs/dbraw/zinc/78/57/88/781785788.db2.gz HLIQVMMMDQEPOJ-SNVBAGLBSA-N 1 3 299.375 -1.416 20 0 CAADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385535 781786207 /nfs/dbraw/zinc/78/62/07/781786207.db2.gz QAEGXHDPIQLNHE-SNVBAGLBSA-N 1 3 256.350 -1.125 20 0 CAADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001185715640 781788521 /nfs/dbraw/zinc/78/85/21/781788521.db2.gz GXQIQOZJENIHOD-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186459015 781805558 /nfs/dbraw/zinc/80/55/58/781805558.db2.gz SRONAIJLEOQWOQ-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO C[C@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001187106950 781815090 /nfs/dbraw/zinc/81/50/90/781815090.db2.gz RQTNSPBZDAZGDX-WDEREUQCSA-N 1 3 286.376 -1.371 20 0 CAADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187291602 781816426 /nfs/dbraw/zinc/81/64/26/781816426.db2.gz WRKKQMDNAPYUSZ-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817933 781830487 /nfs/dbraw/zinc/83/04/87/781830487.db2.gz LRXZMVDBJCTJEA-GHMZBOCLSA-N 1 3 268.361 -1.125 20 0 CAADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817933 781830497 /nfs/dbraw/zinc/83/04/97/781830497.db2.gz LRXZMVDBJCTJEA-GHMZBOCLSA-N 1 3 268.361 -1.125 20 0 CAADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001420358638 890434081 /nfs/dbraw/zinc/43/40/81/890434081.db2.gz BRTJQEIGWWDRKA-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001420358638 890434084 /nfs/dbraw/zinc/43/40/84/890434084.db2.gz BRTJQEIGWWDRKA-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001426036855 890847844 /nfs/dbraw/zinc/84/78/44/890847844.db2.gz AMBWPYOWEMXIRX-QWRGUYRKSA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127638829 884058449 /nfs/dbraw/zinc/05/84/49/884058449.db2.gz RNWRSETVWCWFQQ-OPRDCNLKSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127638829 884058476 /nfs/dbraw/zinc/05/84/76/884058476.db2.gz RNWRSETVWCWFQQ-OPRDCNLKSA-N 1 3 256.350 -1.094 20 0 CAADHO CN1CCN(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322733586 884573890 /nfs/dbraw/zinc/57/38/90/884573890.db2.gz YKPDPCKDSRUDKG-ZDUSSCGKSA-N 1 3 283.420 -1.404 20 0 CAADHO CN1CCN(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322733586 884573899 /nfs/dbraw/zinc/57/38/99/884573899.db2.gz YKPDPCKDSRUDKG-ZDUSSCGKSA-N 1 3 283.420 -1.404 20 0 CAADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC001326923784 884847812 /nfs/dbraw/zinc/84/78/12/884847812.db2.gz QIRBONOEABUNTD-GHMZBOCLSA-N 1 3 257.334 -1.140 20 0 CAADHO O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001327704771 884920057 /nfs/dbraw/zinc/92/00/57/884920057.db2.gz QCSWQBJIBSIDMP-NSHDSACASA-N 1 3 269.345 -1.044 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@]2(F)CC[NH2+]C2)n1 ZINC001328454108 884986969 /nfs/dbraw/zinc/98/69/69/884986969.db2.gz CVNYOSUWUCADDB-NSHDSACASA-N 1 3 269.280 -1.041 20 0 CAADHO C([C@@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330584885 885205238 /nfs/dbraw/zinc/20/52/38/885205238.db2.gz PJCKSXVRGYVEFG-STQMWFEESA-N 1 3 254.378 -1.046 20 0 CAADHO CO[C@@H](CN)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001330877893 885236927 /nfs/dbraw/zinc/23/69/27/885236927.db2.gz YTHINROHNSIKGL-AXFHLTTASA-N 1 3 267.333 -1.353 20 0 CAADHO CO[C@@H](CN)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001331969935 885368485 /nfs/dbraw/zinc/36/84/85/885368485.db2.gz SIDYEIYTQHWMKP-QWRGUYRKSA-N 1 3 256.350 -1.534 20 0 CAADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566303 885421815 /nfs/dbraw/zinc/42/18/15/885421815.db2.gz NROVOGVCMYEKNN-NWDGAFQWSA-N 1 3 273.377 -1.271 20 0 CAADHO CN(C[C@@H](O)C[NH2+]CCCO)C(=O)Cc1c[nH]cn1 ZINC001332574685 885424446 /nfs/dbraw/zinc/42/44/46/885424446.db2.gz GSWIZIFVFJVNKV-NSHDSACASA-N 1 3 270.333 -1.257 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340471450 885803931 /nfs/dbraw/zinc/80/39/31/885803931.db2.gz KZNABJGLFHACAO-MDZLAQPJSA-N 1 3 269.345 -1.283 20 0 CAADHO COC1CCN(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001340236007 885798532 /nfs/dbraw/zinc/79/85/32/885798532.db2.gz XBLCSQSVCQSVPR-JTQLQIEISA-N 1 3 259.350 -1.077 20 0 CAADHO [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001341098400 885828185 /nfs/dbraw/zinc/82/81/85/885828185.db2.gz SWAFKGNWJZHJIF-WDEREUQCSA-N 1 3 284.360 -1.712 20 0 CAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNCC[NH3+] ZINC001341683727 885854835 /nfs/dbraw/zinc/85/48/35/885854835.db2.gz IPKUYNCYIMNYBR-LBPRGKRZSA-N 1 3 299.419 -1.406 20 0 CAADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC001342190934 885874901 /nfs/dbraw/zinc/87/49/01/885874901.db2.gz YBRCKPUQFHTNGU-ZJUUUORDSA-N 1 3 257.334 -1.596 20 0 CAADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001342215737 885875756 /nfs/dbraw/zinc/87/57/56/885875756.db2.gz NQHDIVLNTXAXCI-GUBZILKMSA-N 1 3 257.334 -1.550 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)C[C@H]2CNCCO2)CCCO1 ZINC001345897065 885972292 /nfs/dbraw/zinc/97/22/92/885972292.db2.gz SGDPFKCLDYVCNC-QWRGUYRKSA-N 1 3 257.334 -1.059 20 0 CAADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCN(C)CCOC ZINC001357391675 886403708 /nfs/dbraw/zinc/40/37/08/886403708.db2.gz KZTAOFUVCFWJHU-MNOVXSKESA-N 1 3 261.366 -1.103 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632065 887416120 /nfs/dbraw/zinc/41/61/20/887416120.db2.gz SLSRORGDKBBIEN-MNOVXSKESA-N 1 3 286.376 -1.718 20 0 CAADHO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001392377471 888690837 /nfs/dbraw/zinc/69/08/37/888690837.db2.gz SGXBUDRRCHWDJS-UWVGGRQHSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)[NH+](C)C ZINC001394762966 888894121 /nfs/dbraw/zinc/89/41/21/888894121.db2.gz YANWZBHVCCYSIU-JQWIXIFHSA-N 1 3 288.392 -1.533 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001401518819 889149314 /nfs/dbraw/zinc/14/93/14/889149314.db2.gz YDKZTBFITRWRJR-OPRDCNLKSA-N 1 3 272.349 -2.121 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001401518819 889149331 /nfs/dbraw/zinc/14/93/31/889149331.db2.gz YDKZTBFITRWRJR-OPRDCNLKSA-N 1 3 272.349 -2.121 20 0 CAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001401546006 889152446 /nfs/dbraw/zinc/15/24/46/889152446.db2.gz HEAVEFULSCRSPK-VIFPVBQESA-N 1 3 272.349 -1.977 20 0 CAADHO C[C@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564120 889157674 /nfs/dbraw/zinc/15/76/74/889157674.db2.gz VSEPFXSXSNFHKD-GXSJLCMTSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410646812 889695974 /nfs/dbraw/zinc/69/59/74/889695974.db2.gz DEHFTWRPICUBSO-QWRGUYRKSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001419710772 890346013 /nfs/dbraw/zinc/34/60/13/890346013.db2.gz LUDJGNDGMYTHFO-VIFPVBQESA-N 1 3 287.364 -1.431 20 0 CAADHO CC(C)(C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCC1 ZINC001420152353 890402814 /nfs/dbraw/zinc/40/28/14/890402814.db2.gz BVCGAHLHHKITMX-SNVBAGLBSA-N 1 3 286.376 -1.587 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653013 884058750 /nfs/dbraw/zinc/05/87/50/884058750.db2.gz JIJPGBJIQOJJDT-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653013 884058755 /nfs/dbraw/zinc/05/87/55/884058755.db2.gz JIJPGBJIQOJJDT-IVZWLZJFSA-N 1 3 299.375 -1.384 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639052 884059426 /nfs/dbraw/zinc/05/94/26/884059426.db2.gz SMTIJJLPYTWVMF-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127639052 884059442 /nfs/dbraw/zinc/05/94/42/884059442.db2.gz SMTIJJLPYTWVMF-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157322866 884065517 /nfs/dbraw/zinc/06/55/17/884065517.db2.gz BAECXVNAHYWPQP-QWRGUYRKSA-N 1 3 296.375 -1.361 20 0 CAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCCO)CCC1 ZINC001320234730 884397885 /nfs/dbraw/zinc/39/78/85/884397885.db2.gz MMJINXKJJXQBGI-NSHDSACASA-N 1 3 273.377 -1.080 20 0 CAADHO N[C@@H](CC(F)F)C(=O)NCCN1CC[NH2+]CC1 ZINC001326361299 884789399 /nfs/dbraw/zinc/78/93/99/884789399.db2.gz LBDVDRUXXLVSMU-QMMMGPOBSA-N 1 3 250.293 -1.010 20 0 CAADHO O=C(C[C@H]1CNCCO1)NC[C@H]1C[NH2+]CCCO1 ZINC001326923787 884846662 /nfs/dbraw/zinc/84/66/62/884846662.db2.gz QIRBONOEABUNTD-WDEREUQCSA-N 1 3 257.334 -1.140 20 0 CAADHO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1CNCCO1 ZINC001327018837 884852740 /nfs/dbraw/zinc/85/27/40/884852740.db2.gz UIMRYGHZFCFJBY-SKDRFNHKSA-N 1 3 268.317 -1.351 20 0 CAADHO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CNCCO1 ZINC001327018834 884853549 /nfs/dbraw/zinc/85/35/49/884853549.db2.gz UIMRYGHZFCFJBY-JOYOIKCWSA-N 1 3 268.317 -1.351 20 0 CAADHO O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001327088828 884861773 /nfs/dbraw/zinc/86/17/73/884861773.db2.gz CVYUQLDDUMUTCX-ZDUSSCGKSA-N 1 3 281.404 -1.602 20 0 CAADHO C[NH2+]CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327515757 884896801 /nfs/dbraw/zinc/89/68/01/884896801.db2.gz PYXRGIUITQFIAH-GFCCVEGCSA-N 1 3 298.387 -1.309 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327517367 884897976 /nfs/dbraw/zinc/89/79/76/884897976.db2.gz YIGVSVDKIPHCKE-CMPLNLGQSA-N 1 3 298.387 -1.181 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327517369 884898628 /nfs/dbraw/zinc/89/86/28/884898628.db2.gz YIGVSVDKIPHCKE-JQWIXIFHSA-N 1 3 298.387 -1.181 20 0 CAADHO COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CNCCO1 ZINC001327595766 884908187 /nfs/dbraw/zinc/90/81/87/884908187.db2.gz DWIULCAIRVVSAG-MNOVXSKESA-N 1 3 257.334 -1.188 20 0 CAADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001327599865 884910774 /nfs/dbraw/zinc/91/07/74/884910774.db2.gz WCSHHRPOAVDUNS-ZJUUUORDSA-N 1 3 255.318 -1.449 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328350148 884972465 /nfs/dbraw/zinc/97/24/65/884972465.db2.gz LRQAVOICAHJDDM-LURJTMIESA-N 1 3 254.294 -1.213 20 0 CAADHO OC[C@@H]1C[C@@H](O)CN1C/C=C\C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001328380410 884978294 /nfs/dbraw/zinc/97/82/94/884978294.db2.gz DCPZRKBGCBJMEF-YHZXAACMSA-N 1 3 286.372 -1.602 20 0 CAADHO OC[C@@H]1C[C@@H](O)CN1C/C=C\C[N@H+]1C[C@H](O)C[C@H]1CO ZINC001328380410 884978311 /nfs/dbraw/zinc/97/83/11/884978311.db2.gz DCPZRKBGCBJMEF-YHZXAACMSA-N 1 3 286.372 -1.602 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1C[NH2+]CCO1 ZINC001328437779 884988908 /nfs/dbraw/zinc/98/89/08/884988908.db2.gz SDVXSMZSTMWPMS-QWRGUYRKSA-N 1 3 257.334 -1.188 20 0 CAADHO C[C@@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329594297 885120667 /nfs/dbraw/zinc/12/06/67/885120667.db2.gz WFTMDVGHUHLYCJ-RGOKHQFPSA-N 1 3 268.317 -1.273 20 0 CAADHO C[C@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329652499 885126676 /nfs/dbraw/zinc/12/66/76/885126676.db2.gz WFTMDVGHUHLYCJ-QEYWKRMJSA-N 1 3 268.317 -1.273 20 0 CAADHO Cn1nnnc1CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329753219 885135648 /nfs/dbraw/zinc/13/56/48/885135648.db2.gz DWKHQKWOUFXDKV-NSHDSACASA-N 1 3 265.365 -1.268 20 0 CAADHO Cn1nnnc1CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329752960 885135973 /nfs/dbraw/zinc/13/59/73/885135973.db2.gz DWKHQKWOUFXDKV-LLVKDONJSA-N 1 3 265.365 -1.268 20 0 CAADHO C[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329822936 885142109 /nfs/dbraw/zinc/14/21/09/885142109.db2.gz HCAHRWDWXRTRTH-UHFFFAOYSA-N 1 3 254.294 -1.341 20 0 CAADHO N[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[C@H]1F ZINC001329923584 885156099 /nfs/dbraw/zinc/15/60/99/885156099.db2.gz HTXPIXWIOWTULX-HTQZYQBOSA-N 1 3 256.285 -1.252 20 0 CAADHO [NH3+]CC1(NC(=O)C[C@@H]2CNCCO2)CCOCC1 ZINC001331724963 885321806 /nfs/dbraw/zinc/32/18/06/885321806.db2.gz JSHYDUVYBWHCTG-SNVBAGLBSA-N 1 3 257.334 -1.011 20 0 CAADHO c1c(CN2CC[NH2+]CC2)nnn1C[C@H]1CNCCO1 ZINC001331857654 885361963 /nfs/dbraw/zinc/36/19/63/885361963.db2.gz MMUDSUSKHJEWGZ-GFCCVEGCSA-N 1 3 266.349 -1.328 20 0 CAADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC001332279311 885396858 /nfs/dbraw/zinc/39/68/58/885396858.db2.gz MLACAWMDCLDFDF-NSHDSACASA-N 1 3 257.334 -1.140 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)N(C)C ZINC001332575991 885423735 /nfs/dbraw/zinc/42/37/35/885423735.db2.gz WAQSXZWYPMKOQE-MNOVXSKESA-N 1 3 261.366 -1.272 20 0 CAADHO C[C@@H](NC(=O)CN1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001332753993 885437398 /nfs/dbraw/zinc/43/73/98/885437398.db2.gz AMKIKFNXTSPTQP-KGLIPLIRSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@@H](NC(=O)CN1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001332753993 885437402 /nfs/dbraw/zinc/43/74/02/885437402.db2.gz AMKIKFNXTSPTQP-KGLIPLIRSA-N 1 3 297.447 -1.016 20 0 CAADHO CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCCN1C ZINC001333243937 885464363 /nfs/dbraw/zinc/46/43/63/885464363.db2.gz CUXHQSPRYANOOR-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO COCC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001333631380 885496469 /nfs/dbraw/zinc/49/64/69/885496469.db2.gz RUVRZIICGGVDOD-LLVKDONJSA-N 1 3 258.366 -1.238 20 0 CAADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC001333941547 885513433 /nfs/dbraw/zinc/51/34/33/885513433.db2.gz VTKQPHFZWWKADT-ONGXEEELSA-N 1 3 266.345 -1.231 20 0 CAADHO C[NH2+]C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC001334337951 885535810 /nfs/dbraw/zinc/53/58/10/885535810.db2.gz OALDYLZMTRIXJP-SNVBAGLBSA-N 1 3 262.379 -1.322 20 0 CAADHO CN(C)S(=O)(=O)NCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC001335431453 885621613 /nfs/dbraw/zinc/62/16/13/885621613.db2.gz MNJSXPZUZBUBIS-LLVKDONJSA-N 1 3 294.421 -1.573 20 0 CAADHO COC(=O)[C@@H]1CN(CCOCC[NH3+])C[C@H]1C(=O)OC ZINC001336095827 885645881 /nfs/dbraw/zinc/64/58/81/885645881.db2.gz OJOZWCUUGPJNLZ-NXEZZACHSA-N 1 3 274.317 -1.144 20 0 CAADHO [NH3+][C@H]1C[C@@H](CN2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001337838363 885724596 /nfs/dbraw/zinc/72/45/96/885724596.db2.gz OGAGWBDYPWVZPB-KXUCPTDWSA-N 1 3 260.363 -1.442 20 0 CAADHO CN1CCN(CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114764 885790588 /nfs/dbraw/zinc/79/05/88/885790588.db2.gz WSUZEFYPAFHHDY-JSGCOSHPSA-N 1 3 284.404 -1.147 20 0 CAADHO COC1CCN(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340236008 885799074 /nfs/dbraw/zinc/79/90/74/885799074.db2.gz XBLCSQSVCQSVPR-SNVBAGLBSA-N 1 3 259.350 -1.077 20 0 CAADHO CCN1CCN(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340894950 885819070 /nfs/dbraw/zinc/81/90/70/885819070.db2.gz NAOWZYXMMWSMBN-LLVKDONJSA-N 1 3 258.366 -1.550 20 0 CAADHO CCN1CCN(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001340894951 885820968 /nfs/dbraw/zinc/82/09/68/885820968.db2.gz NAOWZYXMMWSMBN-NSHDSACASA-N 1 3 258.366 -1.550 20 0 CAADHO [NH3+][C@]1(CO)CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC001341116438 885827896 /nfs/dbraw/zinc/82/78/96/885827896.db2.gz PEAILAXWGGOJQU-ZYHUDNBSSA-N 1 3 257.334 -1.323 20 0 CAADHO [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001341098399 885828584 /nfs/dbraw/zinc/82/85/84/885828584.db2.gz SWAFKGNWJZHJIF-QWRGUYRKSA-N 1 3 284.360 -1.712 20 0 CAADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC001341942585 885864248 /nfs/dbraw/zinc/86/42/48/885864248.db2.gz HCTXDCIPHOVPJP-ZYHUDNBSSA-N 1 3 257.334 -1.404 20 0 CAADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC001341942584 885865566 /nfs/dbraw/zinc/86/55/66/885865566.db2.gz HCTXDCIPHOVPJP-PWSUYJOCSA-N 1 3 257.334 -1.404 20 0 CAADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC001342190931 885876696 /nfs/dbraw/zinc/87/66/96/885876696.db2.gz YBRCKPUQFHTNGU-UWVGGRQHSA-N 1 3 257.334 -1.596 20 0 CAADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357317 885882203 /nfs/dbraw/zinc/88/22/03/885882203.db2.gz LQEKWIBDYNJPLX-WOPDTQHZSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357317 885882208 /nfs/dbraw/zinc/88/22/08/885882208.db2.gz LQEKWIBDYNJPLX-WOPDTQHZSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357269 885883214 /nfs/dbraw/zinc/88/32/14/885883214.db2.gz LQEKWIBDYNJPLX-GRYCIOLGSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357269 885883221 /nfs/dbraw/zinc/88/32/21/885883221.db2.gz LQEKWIBDYNJPLX-GRYCIOLGSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357270 885883251 /nfs/dbraw/zinc/88/32/51/885883251.db2.gz LQEKWIBDYNJPLX-IJLUTSLNSA-N 1 3 268.361 -1.833 20 0 CAADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357270 885883257 /nfs/dbraw/zinc/88/32/57/885883257.db2.gz LQEKWIBDYNJPLX-IJLUTSLNSA-N 1 3 268.361 -1.833 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664098 885893885 /nfs/dbraw/zinc/89/38/85/885893885.db2.gz KBDWKFHUGQAMGU-QJPTWQEYSA-N 1 3 252.362 -1.042 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001342865704 885901509 /nfs/dbraw/zinc/90/15/09/885901509.db2.gz KEALDBWLLOOWSD-KOLCDFICSA-N 1 3 268.361 -1.046 20 0 CAADHO O=C(NC[C@H]1CNCCO1)[C@H]1[NH2+]CC12CCOCC2 ZINC001343099802 885903280 /nfs/dbraw/zinc/90/32/80/885903280.db2.gz PYLHDMONXYVWPJ-GHMZBOCLSA-N 1 3 269.345 -1.140 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001343099816 885904829 /nfs/dbraw/zinc/90/48/29/885904829.db2.gz PYLHDMONXYVWPJ-QWRGUYRKSA-N 1 3 269.345 -1.140 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343506478 885916292 /nfs/dbraw/zinc/91/62/92/885916292.db2.gz FHBCQNUUOHGPSP-STQMWFEESA-N 1 3 281.404 -1.604 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343506473 885918726 /nfs/dbraw/zinc/91/87/26/885918726.db2.gz FHBCQNUUOHGPSP-OLZOCXBDSA-N 1 3 281.404 -1.604 20 0 CAADHO C[NH2+]C[C@@H](O)CN(C)C(=O)CNC[C@H]1CCCO1 ZINC001344385860 885940655 /nfs/dbraw/zinc/94/06/55/885940655.db2.gz BPDLJQQDFCUVSJ-GHMZBOCLSA-N 1 3 259.350 -1.206 20 0 CAADHO C[NH2+]C[C@H](O)CN(C)C(=O)CNC[C@@H]1CCCO1 ZINC001344385863 885940926 /nfs/dbraw/zinc/94/09/26/885940926.db2.gz BPDLJQQDFCUVSJ-QWRGUYRKSA-N 1 3 259.350 -1.206 20 0 CAADHO C[NH2+]C[C@H](O)CN(C)C(=O)CNC[C@H]1CCCO1 ZINC001344385864 885940981 /nfs/dbraw/zinc/94/09/81/885940981.db2.gz BPDLJQQDFCUVSJ-WDEREUQCSA-N 1 3 259.350 -1.206 20 0 CAADHO [NH3+]C/C=C/CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349837832 886153172 /nfs/dbraw/zinc/15/31/72/886153172.db2.gz DBQNFGYKQXTWGU-ATOIVCMTSA-N 1 3 254.334 -1.038 20 0 CAADHO COCCN(C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526854 886280496 /nfs/dbraw/zinc/28/04/96/886280496.db2.gz PPWSLUIDXGLMMQ-CMPLNLGQSA-N 1 3 259.350 -1.206 20 0 CAADHO CCN1CCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001353583800 886284052 /nfs/dbraw/zinc/28/40/52/886284052.db2.gz UBWGVXZCFYPVDO-UHFFFAOYSA-N 1 3 257.382 -1.712 20 0 CAADHO C[NH2+]C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC001354183892 886303649 /nfs/dbraw/zinc/30/36/49/886303649.db2.gz FWQSYYVJSVLQNX-UHFFFAOYSA-N 1 3 262.379 -1.180 20 0 CAADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCN(C)CCOC ZINC001357391677 886402312 /nfs/dbraw/zinc/40/23/12/886402312.db2.gz KZTAOFUVCFWJHU-WDEREUQCSA-N 1 3 261.366 -1.103 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC001357546243 886412535 /nfs/dbraw/zinc/41/25/35/886412535.db2.gz JWEJKLHVHRCKDM-NXEZZACHSA-N 1 3 254.334 -1.022 20 0 CAADHO [NH3+]CCCn1ccc(C(=O)NC[C@H]2CNCCO2)n1 ZINC001357618470 886412742 /nfs/dbraw/zinc/41/27/42/886412742.db2.gz HEEMXVHKMBGESV-SNVBAGLBSA-N 1 3 267.333 -1.050 20 0 CAADHO NC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)Cc2ccccc2C1 ZINC001357888812 886415754 /nfs/dbraw/zinc/41/57/54/886415754.db2.gz HFJPVWSKFCBFQG-NEPJUHHUSA-N 1 3 261.325 -1.068 20 0 CAADHO N[C@H](CO)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358214671 886421560 /nfs/dbraw/zinc/42/15/60/886421560.db2.gz ZOSMCBGSNAQNAF-LLVKDONJSA-N 1 3 258.366 -1.502 20 0 CAADHO CN(CC(=O)NCC[N@H+](C)CCO)[C@@H]1CCC[C@H]1O ZINC001363492843 886916381 /nfs/dbraw/zinc/91/63/81/886916381.db2.gz AWVMPYZSWSBQDI-VXGBXAGGSA-N 1 3 273.377 -1.128 20 0 CAADHO CN(CC(=O)NCC[N@@H+](C)CCO)[C@@H]1CCC[C@H]1O ZINC001363492843 886916382 /nfs/dbraw/zinc/91/63/82/886916382.db2.gz AWVMPYZSWSBQDI-VXGBXAGGSA-N 1 3 273.377 -1.128 20 0 CAADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366391593 887297942 /nfs/dbraw/zinc/29/79/42/887297942.db2.gz WRKKQMDNAPYUSZ-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[C@@H](NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611357 887409846 /nfs/dbraw/zinc/40/98/46/887409846.db2.gz WHOHARAMUMSQCG-GHMZBOCLSA-N 1 3 298.387 -1.445 20 0 CAADHO CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624535 887412917 /nfs/dbraw/zinc/41/29/17/887412917.db2.gz RALVKZXKMNRRRU-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632064 887414577 /nfs/dbraw/zinc/41/45/77/887414577.db2.gz SLSRORGDKBBIEN-GHMZBOCLSA-N 1 3 286.376 -1.718 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001367631636 887414898 /nfs/dbraw/zinc/41/48/98/887414898.db2.gz QKYAGOWPLJMINN-NSHDSACASA-N 1 3 286.376 -1.586 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001367915076 887438328 /nfs/dbraw/zinc/43/83/28/887438328.db2.gz YKYBBDATWAJSGI-JTQLQIEISA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001368106543 887454796 /nfs/dbraw/zinc/45/47/96/887454796.db2.gz ICKFGCZOIVYFPN-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368266664 887467231 /nfs/dbraw/zinc/46/72/31/887467231.db2.gz VBUUIVUXTFZIJP-ZDUSSCGKSA-N 1 3 273.377 -1.127 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC2(CO)CCN(CCO)CC2)C1 ZINC001368782073 887500444 /nfs/dbraw/zinc/50/04/44/887500444.db2.gz ZOETVPXTSZOAGA-LBPRGKRZSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN(CCO)CC2)C1 ZINC001368782073 887500452 /nfs/dbraw/zinc/50/04/52/887500452.db2.gz ZOETVPXTSZOAGA-LBPRGKRZSA-N 1 3 285.388 -1.127 20 0 CAADHO C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391535 887565060 /nfs/dbraw/zinc/56/50/60/887565060.db2.gz MHDAHTRXHQBWMV-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001369470368 887573243 /nfs/dbraw/zinc/57/32/43/887573243.db2.gz FNQPVZKRYRANTO-NSHDSACASA-N 1 3 298.387 -1.491 20 0 CAADHO C[C@H](NC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482935 887576363 /nfs/dbraw/zinc/57/63/63/887576363.db2.gz KNZIEBKULRAKEZ-WDEREUQCSA-N 1 3 298.387 -1.635 20 0 CAADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001370403037 887606825 /nfs/dbraw/zinc/60/68/25/887606825.db2.gz GXQIQOZJENIHOD-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374323464 887784326 /nfs/dbraw/zinc/78/43/26/887784326.db2.gz BREGLWZDMVQJBL-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374323464 887784336 /nfs/dbraw/zinc/78/43/36/887784336.db2.gz BREGLWZDMVQJBL-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374323459 887786850 /nfs/dbraw/zinc/78/68/50/887786850.db2.gz BREGLWZDMVQJBL-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374323459 887786864 /nfs/dbraw/zinc/78/68/64/887786864.db2.gz BREGLWZDMVQJBL-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001374619525 887816861 /nfs/dbraw/zinc/81/68/61/887816861.db2.gz YIUGYUZIQYNCDU-QWRGUYRKSA-N 1 3 273.377 -1.082 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374621084 887817518 /nfs/dbraw/zinc/81/75/18/887817518.db2.gz ARDLKMDIAAUCIH-LLVKDONJSA-N 1 3 298.387 -1.573 20 0 CAADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001374638592 887821593 /nfs/dbraw/zinc/82/15/93/887821593.db2.gz ALKYNLCOUXEBQA-LBPRGKRZSA-N 1 3 283.376 -1.062 20 0 CAADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374642418 887821629 /nfs/dbraw/zinc/82/16/29/887821629.db2.gz NQNRZDOGQZFBIN-LBPRGKRZSA-N 1 3 283.376 -1.062 20 0 CAADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001374652117 887822814 /nfs/dbraw/zinc/82/28/14/887822814.db2.gz IDRPKWVKHYNKNR-MNOVXSKESA-N 1 3 288.392 -1.519 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001376100068 887904035 /nfs/dbraw/zinc/90/40/35/887904035.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 1 3 271.361 -1.517 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001376100068 887904048 /nfs/dbraw/zinc/90/40/48/887904048.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 1 3 271.361 -1.517 20 0 CAADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746196 887957085 /nfs/dbraw/zinc/95/70/85/887957085.db2.gz ZYKDAOVXKQYNLE-VIFPVBQESA-N 1 3 299.375 -1.240 20 0 CAADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746195 887957203 /nfs/dbraw/zinc/95/72/03/887957203.db2.gz ZYKDAOVXKQYNLE-SECBINFHSA-N 1 3 299.375 -1.240 20 0 CAADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377259917 887988008 /nfs/dbraw/zinc/98/80/08/887988008.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 1 3 273.377 -1.007 20 0 CAADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377259917 887988016 /nfs/dbraw/zinc/98/80/16/887988016.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 1 3 273.377 -1.007 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379204949 888104360 /nfs/dbraw/zinc/10/43/60/888104360.db2.gz CUYKZTBLPFIWCU-VXGBXAGGSA-N 1 3 298.387 -1.859 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379204946 888104487 /nfs/dbraw/zinc/10/44/87/888104487.db2.gz CUYKZTBLPFIWCU-RYUDHWBXSA-N 1 3 298.387 -1.859 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001379239960 888111059 /nfs/dbraw/zinc/11/10/59/888111059.db2.gz PUEMCVYMUKEPPW-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001379239962 888111486 /nfs/dbraw/zinc/11/14/86/888111486.db2.gz PUEMCVYMUKEPPW-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239118 888111762 /nfs/dbraw/zinc/11/17/62/888111762.db2.gz GJGZAKZXKUGQKM-GHMZBOCLSA-N 1 3 286.376 -1.765 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001379238426 888111942 /nfs/dbraw/zinc/11/19/42/888111942.db2.gz KZPLBYMKXDHXPW-JTQLQIEISA-N 1 3 274.365 -1.907 20 0 CAADHO C[NH+](C)CCCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379239963 888112214 /nfs/dbraw/zinc/11/22/14/888112214.db2.gz PUEMCVYMUKEPPW-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001379259111 888115214 /nfs/dbraw/zinc/11/52/14/888115214.db2.gz OAIPWCZTAILTNT-ZJUUUORDSA-N 1 3 274.365 -1.861 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289004 888119424 /nfs/dbraw/zinc/11/94/24/888119424.db2.gz NOKPRJIZFBJPAX-NWDGAFQWSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289004 888119426 /nfs/dbraw/zinc/11/94/26/888119426.db2.gz NOKPRJIZFBJPAX-NWDGAFQWSA-N 1 3 298.387 -1.763 20 0 CAADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379293609 888122090 /nfs/dbraw/zinc/12/20/90/888122090.db2.gz XEJSCHPHKBVTSO-YPMHNXCESA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379293609 888122097 /nfs/dbraw/zinc/12/20/97/888122097.db2.gz XEJSCHPHKBVTSO-YPMHNXCESA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379293607 888123093 /nfs/dbraw/zinc/12/30/93/888123093.db2.gz XEJSCHPHKBVTSO-WCQYABFASA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379293607 888123101 /nfs/dbraw/zinc/12/31/01/888123101.db2.gz XEJSCHPHKBVTSO-WCQYABFASA-N 1 3 295.387 -1.062 20 0 CAADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409750 888140372 /nfs/dbraw/zinc/14/03/72/888140372.db2.gz XFYGRVIEFLBZJM-NEPJUHHUSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001379412890 888141374 /nfs/dbraw/zinc/14/13/74/888141374.db2.gz QOQCKIOKILLPBZ-GHMZBOCLSA-N 1 3 273.377 -1.082 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379869865 888178105 /nfs/dbraw/zinc/17/81/05/888178105.db2.gz JXTIDDNWQXKAKA-NSHDSACASA-N 1 3 298.387 -1.763 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379869864 888179547 /nfs/dbraw/zinc/17/95/47/888179547.db2.gz JXTIDDNWQXKAKA-LLVKDONJSA-N 1 3 298.387 -1.763 20 0 CAADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1 ZINC001380915063 888235446 /nfs/dbraw/zinc/23/54/46/888235446.db2.gz LOGJFDQTSXEQGX-LLVKDONJSA-N 1 3 298.387 -1.370 20 0 CAADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001382397269 888347622 /nfs/dbraw/zinc/34/76/22/888347622.db2.gz AMBWPYOWEMXIRX-GHMZBOCLSA-N 1 3 288.392 -1.519 20 0 CAADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382417800 888352444 /nfs/dbraw/zinc/35/24/44/888352444.db2.gz XQUAHJSSFBYQEI-SNVBAGLBSA-N 1 3 274.365 -1.907 20 0 CAADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382417797 888353006 /nfs/dbraw/zinc/35/30/06/888353006.db2.gz XQUAHJSSFBYQEI-JTQLQIEISA-N 1 3 274.365 -1.907 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001392092207 888665804 /nfs/dbraw/zinc/66/58/04/888665804.db2.gz QGKIWLAWQNJFDZ-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO Cc1nc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001392396861 888693126 /nfs/dbraw/zinc/69/31/26/888693126.db2.gz WYJDIVXZVBPWDZ-JTQLQIEISA-N 1 3 284.364 -1.368 20 0 CAADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001392396863 888693978 /nfs/dbraw/zinc/69/39/78/888693978.db2.gz WYJDIVXZVBPWDZ-SNVBAGLBSA-N 1 3 284.364 -1.368 20 0 CAADHO C[C@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424382 888705828 /nfs/dbraw/zinc/70/58/28/888705828.db2.gz NRGWWDDPNPKJCX-VHSXEESVSA-N 1 3 284.360 -1.977 20 0 CAADHO C[C@@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424376 888707313 /nfs/dbraw/zinc/70/73/13/888707313.db2.gz NRGWWDDPNPKJCX-NXEZZACHSA-N 1 3 284.360 -1.977 20 0 CAADHO O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422396 888708212 /nfs/dbraw/zinc/70/82/12/888708212.db2.gz KHTHKQPNBJLYBZ-MNOVXSKESA-N 1 3 296.371 -1.963 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001392427029 888708471 /nfs/dbraw/zinc/70/84/71/888708471.db2.gz LJRDUYOGZLBBJA-JTQLQIEISA-N 1 3 274.365 -1.861 20 0 CAADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580013 888795238 /nfs/dbraw/zinc/79/52/38/888795238.db2.gz AJVXPCHZLHIXAU-MNOVXSKESA-N 1 3 286.376 -1.371 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001393587804 888795703 /nfs/dbraw/zinc/79/57/03/888795703.db2.gz TUNPTFGXJSDEKK-MNOVXSKESA-N 1 3 284.360 -1.760 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001393587804 888795716 /nfs/dbraw/zinc/79/57/16/888795716.db2.gz TUNPTFGXJSDEKK-MNOVXSKESA-N 1 3 284.360 -1.760 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC(N)=O ZINC001394510300 888836538 /nfs/dbraw/zinc/83/65/38/888836538.db2.gz YWDLYZPRYDULAO-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748333 888886999 /nfs/dbraw/zinc/88/69/99/888886999.db2.gz SHKBNNNEVVEDSM-SNVBAGLBSA-N 1 3 286.376 -1.778 20 0 CAADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001394742566 888889109 /nfs/dbraw/zinc/88/91/09/888889109.db2.gz LEGZUMMJXMSGAI-VHSXEESVSA-N 1 3 274.365 -1.779 20 0 CAADHO C[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762706 888891014 /nfs/dbraw/zinc/89/10/14/888891014.db2.gz QJLJXKIEZITAFU-ZJUUUORDSA-N 1 3 274.365 -1.779 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001394765693 888892619 /nfs/dbraw/zinc/89/26/19/888892619.db2.gz RNFKCKHSKFLDFV-SNVBAGLBSA-N 1 3 274.365 -1.779 20 0 CAADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+](C)C ZINC001394762968 888894662 /nfs/dbraw/zinc/89/46/62/888894662.db2.gz YANWZBHVCCYSIU-PWSUYJOCSA-N 1 3 288.392 -1.533 20 0 CAADHO C[C@@H](NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567102 889161382 /nfs/dbraw/zinc/16/13/82/889161382.db2.gz KHEVDIMRTULPSX-NXEZZACHSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@@H+]1C ZINC001401572735 889161715 /nfs/dbraw/zinc/16/17/15/889161715.db2.gz PUKPTNBGIDTXTG-GARJFASQSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC[N@H+]1C ZINC001401572735 889161719 /nfs/dbraw/zinc/16/17/19/889161719.db2.gz PUKPTNBGIDTXTG-GARJFASQSA-N 1 3 286.376 -1.731 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401574937 889164651 /nfs/dbraw/zinc/16/46/51/889164651.db2.gz FCBVZDSIZNFPPH-GHMZBOCLSA-N 1 3 286.376 -1.907 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401574937 889164659 /nfs/dbraw/zinc/16/46/59/889164659.db2.gz FCBVZDSIZNFPPH-GHMZBOCLSA-N 1 3 286.376 -1.907 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401652664 889174517 /nfs/dbraw/zinc/17/45/17/889174517.db2.gz NQYZNKOTLWIIGP-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401652664 889174524 /nfs/dbraw/zinc/17/45/24/889174524.db2.gz NQYZNKOTLWIIGP-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNCC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401714754 889177473 /nfs/dbraw/zinc/17/74/73/889177473.db2.gz YMBLNLLONCZKHU-JTQLQIEISA-N 1 3 296.375 -1.362 20 0 CAADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001403213770 889294846 /nfs/dbraw/zinc/29/48/46/889294846.db2.gz SGUXIRPFUSHNGL-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246373 889494519 /nfs/dbraw/zinc/49/45/19/889494519.db2.gz PHIFGPXYBKQLRD-NWDGAFQWSA-N 1 3 298.387 -1.574 20 0 CAADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001406275527 889507185 /nfs/dbraw/zinc/50/71/85/889507185.db2.gz CGDVUQVGHCGSCZ-STQMWFEESA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001406275527 889507197 /nfs/dbraw/zinc/50/71/97/889507197.db2.gz CGDVUQVGHCGSCZ-STQMWFEESA-N 1 3 295.387 -1.062 20 0 CAADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001407799782 889590848 /nfs/dbraw/zinc/59/08/48/889590848.db2.gz NDLATCGEXTVQGA-UHFFFAOYSA-N 1 3 299.375 -1.239 20 0 CAADHO NC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001407865148 889594923 /nfs/dbraw/zinc/59/49/23/889594923.db2.gz LJGJDAVCPFSJCN-NSHDSACASA-N 1 3 296.371 -1.616 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC(N)=O ZINC001410356232 889674884 /nfs/dbraw/zinc/67/48/84/889674884.db2.gz YWDLYZPRYDULAO-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410646803 889694415 /nfs/dbraw/zinc/69/44/15/889694415.db2.gz DEHFTWRPICUBSO-GHMZBOCLSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844031 889722244 /nfs/dbraw/zinc/72/22/44/889722244.db2.gz CYZKHMMERGWWGE-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001417641656 890149981 /nfs/dbraw/zinc/14/99/81/890149981.db2.gz GHRRTMMUZQYZHF-LLVKDONJSA-N 1 3 299.375 -2.399 20 0 CAADHO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001417641656 890149990 /nfs/dbraw/zinc/14/99/90/890149990.db2.gz GHRRTMMUZQYZHF-LLVKDONJSA-N 1 3 299.375 -2.399 20 0 CAADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CCOC1 ZINC001417639167 890150041 /nfs/dbraw/zinc/15/00/41/890150041.db2.gz VTUHCCUNNTVNCP-YPMHNXCESA-N 1 3 271.361 -1.110 20 0 CAADHO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CCOC1 ZINC001417639164 890150175 /nfs/dbraw/zinc/15/01/75/890150175.db2.gz VTUHCCUNNTVNCP-AAEUAGOBSA-N 1 3 271.361 -1.110 20 0 CAADHO CC[NH+]1CCN([C@@H](C)CNC(=O)C2(O)COC2)CC1 ZINC001417637220 890150229 /nfs/dbraw/zinc/15/02/29/890150229.db2.gz NNWSRWAVJYDPKH-NSHDSACASA-N 1 3 271.361 -1.110 20 0 CAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](CO)NC(N)=O ZINC001417647808 890150311 /nfs/dbraw/zinc/15/03/11/890150311.db2.gz XQZFQAOYECAUIU-UWVGGRQHSA-N 1 3 272.349 -1.184 20 0 CAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](CO)NC(N)=O ZINC001417647808 890150317 /nfs/dbraw/zinc/15/03/17/890150317.db2.gz XQZFQAOYECAUIU-UWVGGRQHSA-N 1 3 272.349 -1.184 20 0 CAADHO CC[NH+]1CCN(CCNC(=O)Cn2nnc(N)n2)CC1 ZINC001417637446 890150452 /nfs/dbraw/zinc/15/04/52/890150452.db2.gz WTXGIVIAPMWTFC-UHFFFAOYSA-N 1 3 282.352 -1.991 20 0 CAADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC001417647807 890150577 /nfs/dbraw/zinc/15/05/77/890150577.db2.gz XQZFQAOYECAUIU-NXEZZACHSA-N 1 3 272.349 -1.184 20 0 CAADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC001417647807 890150578 /nfs/dbraw/zinc/15/05/78/890150578.db2.gz XQZFQAOYECAUIU-NXEZZACHSA-N 1 3 272.349 -1.184 20 0 CAADHO C[C@@H](CNC(=O)Cn1nnc(N)n1)N1CC[NH+](C)CC1 ZINC001417636730 890150678 /nfs/dbraw/zinc/15/06/78/890150678.db2.gz RSQYBBLKELQSLM-VIFPVBQESA-N 1 3 282.352 -1.993 20 0 CAADHO CN(CCCN1CC[NH+](C)CC1)C(=O)c1nnn(C)n1 ZINC001417644357 890150783 /nfs/dbraw/zinc/15/07/83/890150783.db2.gz CBGSTNLHGUTGNS-UHFFFAOYSA-N 1 3 281.364 -1.080 20 0 CAADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](CO)NC(N)=O ZINC001417647810 890150960 /nfs/dbraw/zinc/15/09/60/890150960.db2.gz XQZFQAOYECAUIU-ZJUUUORDSA-N 1 3 272.349 -1.184 20 0 CAADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](CO)NC(N)=O ZINC001417647810 890150961 /nfs/dbraw/zinc/15/09/61/890150961.db2.gz XQZFQAOYECAUIU-ZJUUUORDSA-N 1 3 272.349 -1.184 20 0 CAADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001418234172 890199828 /nfs/dbraw/zinc/19/98/28/890199828.db2.gz GXXLDUMWNFJIOT-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320165 890209623 /nfs/dbraw/zinc/20/96/23/890209623.db2.gz VJVOPVLUMFDYNY-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320165 890209636 /nfs/dbraw/zinc/20/96/36/890209636.db2.gz VJVOPVLUMFDYNY-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001419386580 890319131 /nfs/dbraw/zinc/31/91/31/890319131.db2.gz MXUJWKXOESBQKL-JTQLQIEISA-N 1 3 299.375 -1.288 20 0 CAADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419919129 890363863 /nfs/dbraw/zinc/36/38/63/890363863.db2.gz IASJNSQRZXTOIN-ZJUUUORDSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419919129 890363879 /nfs/dbraw/zinc/36/38/79/890363879.db2.gz IASJNSQRZXTOIN-ZJUUUORDSA-N 1 3 299.375 -1.512 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933027 890366923 /nfs/dbraw/zinc/36/69/23/890366923.db2.gz HXIMDFZIGKJPJD-VIFPVBQESA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001419968889 890367086 /nfs/dbraw/zinc/36/70/86/890367086.db2.gz PRMDQEPSROZPRR-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195981 890409805 /nfs/dbraw/zinc/40/98/05/890409805.db2.gz ZGKBOFHEWQKFGY-JQWIXIFHSA-N 1 3 298.387 -1.717 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195981 890409812 /nfs/dbraw/zinc/40/98/12/890409812.db2.gz ZGKBOFHEWQKFGY-JQWIXIFHSA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001420215383 890418374 /nfs/dbraw/zinc/41/83/74/890418374.db2.gz ORISDOCPVLNYJF-QWRGUYRKSA-N 1 3 288.392 -1.472 20 0 CAADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001420304753 890430070 /nfs/dbraw/zinc/43/00/70/890430070.db2.gz BWHRBGMWABZVCI-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420371641 890436451 /nfs/dbraw/zinc/43/64/51/890436451.db2.gz NNTQZDJXURMTQP-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420371641 890436458 /nfs/dbraw/zinc/43/64/58/890436458.db2.gz NNTQZDJXURMTQP-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420371637 890437256 /nfs/dbraw/zinc/43/72/56/890437256.db2.gz NNTQZDJXURMTQP-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420371637 890437262 /nfs/dbraw/zinc/43/72/62/890437262.db2.gz NNTQZDJXURMTQP-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421184503 890492045 /nfs/dbraw/zinc/49/20/45/890492045.db2.gz COFLHCHGJWJNFD-STQMWFEESA-N 1 3 285.388 -1.007 20 0 CAADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421184503 890492054 /nfs/dbraw/zinc/49/20/54/890492054.db2.gz COFLHCHGJWJNFD-STQMWFEESA-N 1 3 285.388 -1.007 20 0 CAADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422319507 890577574 /nfs/dbraw/zinc/57/75/74/890577574.db2.gz LACYHIBNIFZZPC-GHMZBOCLSA-N 1 3 286.376 -1.587 20 0 CAADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422319507 890577582 /nfs/dbraw/zinc/57/75/82/890577582.db2.gz LACYHIBNIFZZPC-GHMZBOCLSA-N 1 3 286.376 -1.587 20 0 CAADHO Cn1cncc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001422348963 890580315 /nfs/dbraw/zinc/58/03/15/890580315.db2.gz PXELQVTYRGJZLJ-LBPRGKRZSA-N 1 3 283.376 -1.062 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001422400882 890586834 /nfs/dbraw/zinc/58/68/34/890586834.db2.gz PSZACIDSZALDSO-ZJUUUORDSA-N 1 3 272.349 -2.120 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001422400882 890586844 /nfs/dbraw/zinc/58/68/44/890586844.db2.gz PSZACIDSZALDSO-ZJUUUORDSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001423802659 890697748 /nfs/dbraw/zinc/69/77/48/890697748.db2.gz PQEFQCOIWHCPLW-AWEZNQCLSA-N 1 3 285.388 -1.127 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001423802661 890698664 /nfs/dbraw/zinc/69/86/64/890698664.db2.gz PQEFQCOIWHCPLW-CQSZACIVSA-N 1 3 285.388 -1.127 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001424227795 890727376 /nfs/dbraw/zinc/72/73/76/890727376.db2.gz JBZRDZGHKITIDB-JTQLQIEISA-N 1 3 272.349 -1.760 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCOCC2)C1 ZINC001424440283 890733401 /nfs/dbraw/zinc/73/34/01/890733401.db2.gz RSVNHFPLIPQKIP-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCC(N)=O)CCOCC2)C1 ZINC001424440283 890733412 /nfs/dbraw/zinc/73/34/12/890733412.db2.gz RSVNHFPLIPQKIP-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425772751 890816740 /nfs/dbraw/zinc/81/67/40/890816740.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 1 3 286.376 -1.717 20 0 CAADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)NC(N)=O ZINC001437200137 891167644 /nfs/dbraw/zinc/16/76/44/891167644.db2.gz WLUKZRNHGXGFTR-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438996518 891260695 /nfs/dbraw/zinc/26/06/95/891260695.db2.gz PNVPDSOQRMEJBK-WDEREUQCSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438996510 891260626 /nfs/dbraw/zinc/26/06/26/891260626.db2.gz PNVPDSOQRMEJBK-GHMZBOCLSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438996510 891260644 /nfs/dbraw/zinc/26/06/44/891260644.db2.gz PNVPDSOQRMEJBK-GHMZBOCLSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438996518 891260706 /nfs/dbraw/zinc/26/07/06/891260706.db2.gz PNVPDSOQRMEJBK-WDEREUQCSA-N 1 3 286.376 -1.589 20 0 CAADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001438997769 891261394 /nfs/dbraw/zinc/26/13/94/891261394.db2.gz IDRPKWVKHYNKNR-GHMZBOCLSA-N 1 3 288.392 -1.519 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439060547 891277146 /nfs/dbraw/zinc/27/71/46/891277146.db2.gz UZPGNIYJMMLCTR-NXEZZACHSA-N 1 3 274.365 -1.733 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001439167509 891288144 /nfs/dbraw/zinc/28/81/44/891288144.db2.gz NKANZSWPMNKXOA-SECBINFHSA-N 1 3 297.359 -1.629 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661075 891422798 /nfs/dbraw/zinc/42/27/98/891422798.db2.gz SKCKUPYARDICSN-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661075 891422807 /nfs/dbraw/zinc/42/28/07/891422807.db2.gz SKCKUPYARDICSN-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942480 891465127 /nfs/dbraw/zinc/46/51/27/891465127.db2.gz CJUROZJICNZOMF-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(N)=O ZINC001441941882 891465888 /nfs/dbraw/zinc/46/58/88/891465888.db2.gz QPUGJBWACLLEJE-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001442010159 891475384 /nfs/dbraw/zinc/47/53/84/891475384.db2.gz PKYHQOPUNGOUOQ-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001442010159 891475385 /nfs/dbraw/zinc/47/53/85/891475385.db2.gz PKYHQOPUNGOUOQ-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001442039050 891475435 /nfs/dbraw/zinc/47/54/35/891475435.db2.gz LEGZUMMJXMSGAI-ZJUUUORDSA-N 1 3 274.365 -1.779 20 0 CAADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008605 891475443 /nfs/dbraw/zinc/47/54/43/891475443.db2.gz FFUAFCLZEUYFNK-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001442039036 891477312 /nfs/dbraw/zinc/47/73/12/891477312.db2.gz LEGZUMMJXMSGAI-UWVGGRQHSA-N 1 3 274.365 -1.779 20 0 CAADHO COC[C@H](O)CN1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443611171 891533680 /nfs/dbraw/zinc/53/36/80/891533680.db2.gz WLZBTZSUNHSDFP-GFCCVEGCSA-N 1 3 273.377 -1.007 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001445225003 891621443 /nfs/dbraw/zinc/62/14/43/891621443.db2.gz LWQLKSNZKLJYEO-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445475699 891636472 /nfs/dbraw/zinc/63/64/72/891636472.db2.gz JKLOPQBKVDJAKF-SNVBAGLBSA-N 1 3 286.376 -1.323 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449141810 891831638 /nfs/dbraw/zinc/83/16/38/891831638.db2.gz ACAANIAHGPRRDZ-LLVKDONJSA-N 1 3 288.392 -1.565 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449141815 891833841 /nfs/dbraw/zinc/83/38/41/891833841.db2.gz ACAANIAHGPRRDZ-NSHDSACASA-N 1 3 288.392 -1.565 20 0 CAADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163377 891836010 /nfs/dbraw/zinc/83/60/10/891836010.db2.gz UNHZZTSHSDRMSW-WDEREUQCSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166356 891839555 /nfs/dbraw/zinc/83/95/55/891839555.db2.gz WCWMZJUKUBBQBJ-GHMZBOCLSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166356 891839571 /nfs/dbraw/zinc/83/95/71/891839571.db2.gz WCWMZJUKUBBQBJ-GHMZBOCLSA-N 1 3 286.376 -1.778 20 0 CAADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449249315 891841478 /nfs/dbraw/zinc/84/14/78/891841478.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 1 3 273.377 -1.319 20 0 CAADHO CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449249315 891841483 /nfs/dbraw/zinc/84/14/83/891841483.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 1 3 273.377 -1.319 20 0 CAADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449249310 891844178 /nfs/dbraw/zinc/84/41/78/891844178.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 1 3 273.377 -1.319 20 0 CAADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449249310 891844189 /nfs/dbraw/zinc/84/41/89/891844189.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 1 3 273.377 -1.319 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201961 891845640 /nfs/dbraw/zinc/84/56/40/891845640.db2.gz ZMOMGBLWKXTBFE-WDEREUQCSA-N 1 3 288.392 -1.391 20 0 CAADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NCC(N)=O ZINC001480463782 892521881 /nfs/dbraw/zinc/52/18/81/892521881.db2.gz ZATGFXXVAWMWCR-JTQLQIEISA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001481276745 892594327 /nfs/dbraw/zinc/59/43/27/892594327.db2.gz FQQKXGOWQCUYAE-VIFPVBQESA-N 1 3 287.364 -1.431 20 0 CAADHO CN(CCNCC(=O)NC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272959 892595376 /nfs/dbraw/zinc/59/53/76/892595376.db2.gz MRCUCXKCGFOLNT-UHFFFAOYSA-N 1 3 299.375 -1.429 20 0 CAADHO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001482737489 892679288 /nfs/dbraw/zinc/67/92/88/892679288.db2.gz NTNCEWPJMZAWDT-JQWIXIFHSA-N 1 3 273.377 -1.082 20 0 CAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001482737516 892682072 /nfs/dbraw/zinc/68/20/72/892682072.db2.gz ODOOXOMZYKSLRM-QWRGUYRKSA-N 1 3 298.387 -1.574 20 0 CAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001482737514 892682232 /nfs/dbraw/zinc/68/22/32/892682232.db2.gz ODOOXOMZYKSLRM-GHMZBOCLSA-N 1 3 298.387 -1.574 20 0 CAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001482737515 892682334 /nfs/dbraw/zinc/68/23/34/892682334.db2.gz ODOOXOMZYKSLRM-MNOVXSKESA-N 1 3 298.387 -1.574 20 0 CAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001482737517 892683650 /nfs/dbraw/zinc/68/36/50/892683650.db2.gz ODOOXOMZYKSLRM-WDEREUQCSA-N 1 3 298.387 -1.574 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001482763502 892691505 /nfs/dbraw/zinc/69/15/05/892691505.db2.gz VOKYZWOHXGRVQA-QWRGUYRKSA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764071 892691922 /nfs/dbraw/zinc/69/19/22/892691922.db2.gz IZJGBNDTNGKCCE-ZJUUUORDSA-N 1 3 274.365 -1.861 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764262 892692147 /nfs/dbraw/zinc/69/21/47/892692147.db2.gz MPINYFBZGYPLPF-SECBINFHSA-N 1 3 260.338 -2.249 20 0 CAADHO CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764070 892692423 /nfs/dbraw/zinc/69/24/23/892692423.db2.gz IZJGBNDTNGKCCE-VHSXEESVSA-N 1 3 274.365 -1.861 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001482768576 892694287 /nfs/dbraw/zinc/69/42/87/892694287.db2.gz ZFFDJZRWGMHTQZ-JTQLQIEISA-N 1 3 272.349 -2.120 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482767510 892696017 /nfs/dbraw/zinc/69/60/17/892696017.db2.gz RXMKFJDBNXRRPC-LLVKDONJSA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785694 892700693 /nfs/dbraw/zinc/70/06/93/892700693.db2.gz LZEWQINNWNREAO-SNVBAGLBSA-N 1 3 284.360 -2.105 20 0 CAADHO CC[C@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786562 892700710 /nfs/dbraw/zinc/70/07/10/892700710.db2.gz TVWOJTLITJOOKX-QWRGUYRKSA-N 1 3 298.387 -1.587 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785692 892702714 /nfs/dbraw/zinc/70/27/14/892702714.db2.gz LZEWQINNWNREAO-JTQLQIEISA-N 1 3 284.360 -2.105 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482791141 892705752 /nfs/dbraw/zinc/70/57/52/892705752.db2.gz QEDNKTPPSUMHGG-UWVGGRQHSA-N 1 3 272.349 -2.249 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482791141 892705760 /nfs/dbraw/zinc/70/57/60/892705760.db2.gz QEDNKTPPSUMHGG-UWVGGRQHSA-N 1 3 272.349 -2.249 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001483266417 892750773 /nfs/dbraw/zinc/75/07/73/892750773.db2.gz LNHMGCZUZQUMIT-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC(N)=O ZINC001484899553 892896704 /nfs/dbraw/zinc/89/67/04/892896704.db2.gz IHNCEMISZZJFKP-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC(N)=O ZINC001484899551 892896863 /nfs/dbraw/zinc/89/68/63/892896863.db2.gz IHNCEMISZZJFKP-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001484899552 892899565 /nfs/dbraw/zinc/89/95/65/892899565.db2.gz IHNCEMISZZJFKP-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486317387 893053448 /nfs/dbraw/zinc/05/34/48/893053448.db2.gz HFDKJUJZEDIWSQ-NSHDSACASA-N 1 3 261.366 -1.272 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(N)=O ZINC001491458158 893277189 /nfs/dbraw/zinc/27/71/89/893277189.db2.gz XZNCCRMBLPIMDC-IVZWLZJFSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(N)=O ZINC001491458158 893277202 /nfs/dbraw/zinc/27/72/02/893277202.db2.gz XZNCCRMBLPIMDC-IVZWLZJFSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001491625609 893300818 /nfs/dbraw/zinc/30/08/18/893300818.db2.gz ORGWHGWRRBNXSW-JTQLQIEISA-N 1 3 286.376 -1.323 20 0 CAADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O ZINC001491643387 893302613 /nfs/dbraw/zinc/30/26/13/893302613.db2.gz ZCBPLVNKNYABBL-VIFPVBQESA-N 1 3 297.359 -1.629 20 0 CAADHO CNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643452 893303770 /nfs/dbraw/zinc/30/37/70/893303770.db2.gz ZUYRYSAETWXXAM-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491673854 893305310 /nfs/dbraw/zinc/30/53/10/893305310.db2.gz PNYVRTVAZNSBDP-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491673854 893305324 /nfs/dbraw/zinc/30/53/24/893305324.db2.gz PNYVRTVAZNSBDP-VHSXEESVSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491673852 893305396 /nfs/dbraw/zinc/30/53/96/893305396.db2.gz PNYVRTVAZNSBDP-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491673852 893305412 /nfs/dbraw/zinc/30/54/12/893305412.db2.gz PNYVRTVAZNSBDP-UWVGGRQHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491673850 893307446 /nfs/dbraw/zinc/30/74/46/893307446.db2.gz PNYVRTVAZNSBDP-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491673850 893307464 /nfs/dbraw/zinc/30/74/64/893307464.db2.gz PNYVRTVAZNSBDP-NXEZZACHSA-N 1 3 256.350 -1.222 20 0 CAADHO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCCN1C ZINC001493601000 893407673 /nfs/dbraw/zinc/40/76/73/893407673.db2.gz UFZBUTZQEOEQCT-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO CN(CCNCC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493761397 893414031 /nfs/dbraw/zinc/41/40/31/893414031.db2.gz JRNIJKSTYFNZFC-SNVBAGLBSA-N 1 3 256.350 -1.139 20 0 CAADHO CN(CCNCC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493761397 893414047 /nfs/dbraw/zinc/41/40/47/893414047.db2.gz JRNIJKSTYFNZFC-SNVBAGLBSA-N 1 3 256.350 -1.139 20 0 CAADHO CN(CCNCC(N)=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001493724407 893414985 /nfs/dbraw/zinc/41/49/85/893414985.db2.gz CAGMASXDYHDBSI-UHFFFAOYSA-N 1 3 296.375 -1.408 20 0 CAADHO C[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048154 893588808 /nfs/dbraw/zinc/58/88/08/893588808.db2.gz PZNKXYMTMATGPT-MNOVXSKESA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048156 893589892 /nfs/dbraw/zinc/58/98/92/893589892.db2.gz PZNKXYMTMATGPT-QWRGUYRKSA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048147 893591012 /nfs/dbraw/zinc/59/10/12/893591012.db2.gz PZNKXYMTMATGPT-GHMZBOCLSA-N 1 3 288.392 -1.519 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497817190 893639623 /nfs/dbraw/zinc/63/96/23/893639623.db2.gz NWIXAIWHMVDPRR-MWLCHTKSSA-N 1 3 268.361 -1.092 20 0 CAADHO C[C@@H](CNCC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001498043540 893648761 /nfs/dbraw/zinc/64/87/61/893648761.db2.gz MAEFGFQFZPKAGH-JTQLQIEISA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498106994 893654833 /nfs/dbraw/zinc/65/48/33/893654833.db2.gz ZJBHEEYZIWRZSG-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498197866 893664035 /nfs/dbraw/zinc/66/40/35/893664035.db2.gz YRCQABVYCJRQMM-VIFPVBQESA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190322 893664413 /nfs/dbraw/zinc/66/44/13/893664413.db2.gz NNTQZDJXURMTQP-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498190322 893664423 /nfs/dbraw/zinc/66/44/23/893664423.db2.gz NNTQZDJXURMTQP-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001500718812 893750615 /nfs/dbraw/zinc/75/06/15/893750615.db2.gz ZCWZOFUKOPUFJT-CQSZACIVSA-N 1 3 285.388 -1.127 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500765448 893757875 /nfs/dbraw/zinc/75/78/75/893757875.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 1 3 273.377 -1.128 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500765448 893757883 /nfs/dbraw/zinc/75/78/83/893757883.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 1 3 273.377 -1.128 20 0 CAADHO C[NH+]1CCC(C(=O)N(CCO)CCNCC(N)=O)CC1 ZINC001501490589 893808721 /nfs/dbraw/zinc/80/87/21/893808721.db2.gz PMPJSTSRKKNAQO-UHFFFAOYSA-N 1 3 286.376 -1.776 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNCC(N)=O)C1 ZINC001501506183 893812792 /nfs/dbraw/zinc/81/27/92/893812792.db2.gz ONQOBCCMHAMNDX-NSHDSACASA-N 1 3 286.376 -1.776 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNCC(N)=O)C1 ZINC001501506183 893812803 /nfs/dbraw/zinc/81/28/03/893812803.db2.gz ONQOBCCMHAMNDX-NSHDSACASA-N 1 3 286.376 -1.776 20 0 CAADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001502092098 893837910 /nfs/dbraw/zinc/83/79/10/893837910.db2.gz ICYHPRYBAFLSML-RYUDHWBXSA-N 1 3 298.387 -1.499 20 0 CAADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092098 893837929 /nfs/dbraw/zinc/83/79/29/893837929.db2.gz ICYHPRYBAFLSML-RYUDHWBXSA-N 1 3 298.387 -1.499 20 0 CAADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001502092097 893838853 /nfs/dbraw/zinc/83/88/53/893838853.db2.gz ICYHPRYBAFLSML-NWDGAFQWSA-N 1 3 298.387 -1.499 20 0 CAADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092097 893838872 /nfs/dbraw/zinc/83/88/72/893838872.db2.gz ICYHPRYBAFLSML-NWDGAFQWSA-N 1 3 298.387 -1.499 20 0 CAADHO C[NH+](C)CCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001502883482 893864901 /nfs/dbraw/zinc/86/49/01/893864901.db2.gz MHKAFTJPWKJRTG-UHFFFAOYSA-N 1 3 286.376 -1.634 20 0 CAADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505685122 893888410 /nfs/dbraw/zinc/88/84/10/893888410.db2.gz FBEUMANYGRELOL-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846806 893946217 /nfs/dbraw/zinc/94/62/17/893946217.db2.gz ZXGZJAJTBZNHJW-MNOVXSKESA-N 1 3 286.376 -1.371 20 0 CAADHO C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846801 893948227 /nfs/dbraw/zinc/94/82/27/893948227.db2.gz ZXGZJAJTBZNHJW-GHMZBOCLSA-N 1 3 286.376 -1.371 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[NH+](C)C ZINC001507503258 894063750 /nfs/dbraw/zinc/06/37/50/894063750.db2.gz ZDYIQVMUASFYMI-VIFPVBQESA-N 1 3 260.338 -2.168 20 0 CAADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1COC2(CNC2)C1 ZINC001521971034 894211285 /nfs/dbraw/zinc/21/12/85/894211285.db2.gz CLLNXPYHXJSDRI-CMPLNLGQSA-N 1 3 269.345 -1.262 20 0 CAADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1COC2(CNC2)C1 ZINC001521971043 894211648 /nfs/dbraw/zinc/21/16/48/894211648.db2.gz CLLNXPYHXJSDRI-ZYHUDNBSSA-N 1 3 269.345 -1.262 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522310653 894220404 /nfs/dbraw/zinc/22/04/04/894220404.db2.gz CHDFCNDOOBWDFC-CABZTGNLSA-N 1 3 267.333 -2.114 20 0 CAADHO COCCN1CC[C@H](NC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001548554450 894486898 /nfs/dbraw/zinc/48/68/98/894486898.db2.gz UKNIAKRWJMKMBG-NWDGAFQWSA-N 1 3 270.377 -1.273 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574542 894488843 /nfs/dbraw/zinc/48/88/43/894488843.db2.gz GAMNEQAWXLJMSD-RYUDHWBXSA-N 1 3 270.377 -1.537 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574602 894489042 /nfs/dbraw/zinc/48/90/42/894489042.db2.gz NHDSKETVHBEGPX-VXGBXAGGSA-N 1 3 271.361 -1.062 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574599 894489249 /nfs/dbraw/zinc/48/92/49/894489249.db2.gz NHDSKETVHBEGPX-NWDGAFQWSA-N 1 3 271.361 -1.062 20 0 CAADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573692 894489269 /nfs/dbraw/zinc/48/92/69/894489269.db2.gz VATPNTXYCZSKIT-COMAGPEQSA-N 1 3 271.361 -1.032 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574596 894489806 /nfs/dbraw/zinc/48/98/06/894489806.db2.gz NHDSKETVHBEGPX-NEPJUHHUSA-N 1 3 271.361 -1.062 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548573105 894489987 /nfs/dbraw/zinc/48/99/87/894489987.db2.gz VJSLRJBFEHVYRU-MXWKQRLJSA-N 1 3 284.360 -2.155 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044511 894506952 /nfs/dbraw/zinc/50/69/52/894506952.db2.gz SGNNUUSSSMLWDR-OLZOCXBDSA-N 1 3 282.388 -1.129 20 0 CAADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001549050631 894510280 /nfs/dbraw/zinc/51/02/80/894510280.db2.gz OZFOPPQUAYZCFJ-ZYHUDNBSSA-N 1 3 286.376 -1.338 20 0 CAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046437 894512931 /nfs/dbraw/zinc/51/29/31/894512931.db2.gz YLHALPPKIRPRJI-CMPLNLGQSA-N 1 3 286.376 -1.419 20 0 CAADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095113 894529687 /nfs/dbraw/zinc/52/96/87/894529687.db2.gz GHROINLZKNFKMG-ZYHUDNBSSA-N 1 3 294.359 -1.254 20 0 CAADHO CO[C@H](CN)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550182774 894533401 /nfs/dbraw/zinc/53/34/01/894533401.db2.gz QMFJOFISQHRCKH-WDEREUQCSA-N 1 3 256.350 -1.534 20 0 CAADHO CO[C@H](CN)C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550188587 894533916 /nfs/dbraw/zinc/53/39/16/894533916.db2.gz YTHINROHNSIKGL-OUAUKWLOSA-N 1 3 267.333 -1.353 20 0 CAADHO O=S(=O)(N[C@]12CCC[C@@H]1C[NH2+]C2)N1CCNCC1 ZINC001551391856 894536612 /nfs/dbraw/zinc/53/66/12/894536612.db2.gz HHVHTUBEUSMYBX-MNOVXSKESA-N 1 3 274.390 -1.132 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCNC[C@H](O)C1 ZINC001550736339 894536691 /nfs/dbraw/zinc/53/66/91/894536691.db2.gz RDZMTYWSVLDMGC-QWRGUYRKSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCNC[C@@H](O)C1 ZINC001550736327 894537485 /nfs/dbraw/zinc/53/74/85/894537485.db2.gz RDZMTYWSVLDMGC-GHMZBOCLSA-N 1 3 272.349 -1.659 20 0 CAADHO O=S(=O)(N[C@@]12CCC[C@@H]1C[NH2+]C2)N1CCNCC1 ZINC001551391839 894538148 /nfs/dbraw/zinc/53/81/48/894538148.db2.gz HHVHTUBEUSMYBX-GHMZBOCLSA-N 1 3 274.390 -1.132 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552091452 894543256 /nfs/dbraw/zinc/54/32/56/894543256.db2.gz YODTUYHLDZPQLF-ZJUUUORDSA-N 1 3 280.332 -1.469 20 0 CAADHO O=C(NC[C@H]1CNCCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552091442 894543660 /nfs/dbraw/zinc/54/36/60/894543660.db2.gz YODTUYHLDZPQLF-NXEZZACHSA-N 1 3 280.332 -1.469 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552218833 894550770 /nfs/dbraw/zinc/55/07/70/894550770.db2.gz YCEDBMOSTFPUDA-AMIZOPFISA-N 1 3 293.327 -1.507 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203878 894551125 /nfs/dbraw/zinc/55/11/25/894551125.db2.gz IOEFEFPTEZLJTM-SCVCMEIPSA-N 1 3 255.318 -1.673 20 0 CAADHO O=C(NC[C@H]1CNCCO1)c1cnnn1C1CC[NH2+]CC1 ZINC001552440585 894557711 /nfs/dbraw/zinc/55/77/11/894557711.db2.gz DJAXGOUARANBCL-LLVKDONJSA-N 1 3 294.359 -1.079 20 0 CAADHO CN1CC[C@]2(C(=O)N3CCNCC3)C[NH2+]C[C@H]2C1 ZINC001553348686 894559921 /nfs/dbraw/zinc/55/99/21/894559921.db2.gz LNDBAAULEKXZHX-AAEUAGOBSA-N 1 3 252.362 -1.041 20 0 CAADHO O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCNC[C@H](O)C1 ZINC001553429121 894563915 /nfs/dbraw/zinc/56/39/15/894563915.db2.gz POQBDMDBQYBHFZ-VLEAKVRGSA-N 1 3 255.318 -1.702 20 0 CAADHO CN(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1O ZINC001553416831 894564020 /nfs/dbraw/zinc/56/40/20/894564020.db2.gz CNNWVNVDSJTDHG-ROHXPCBUSA-N 1 3 269.345 -1.361 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553408018 894564624 /nfs/dbraw/zinc/56/46/24/894564624.db2.gz IWYJEQWUXDVFKJ-XWLWVQCSSA-N 1 3 255.318 -1.390 20 0 CAADHO CN(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1O ZINC001553416809 894565565 /nfs/dbraw/zinc/56/55/65/894565565.db2.gz CNNWVNVDSJTDHG-HGCLJGPKSA-N 1 3 269.345 -1.361 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553408015 894565638 /nfs/dbraw/zinc/56/56/38/894565638.db2.gz IWYJEQWUXDVFKJ-VLEAKVRGSA-N 1 3 255.318 -1.390 20 0 CAADHO CN1C[C@H](O)[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC001553647655 894567915 /nfs/dbraw/zinc/56/79/15/894567915.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 1 3 270.377 -1.729 20 0 CAADHO CN1C[C@H](O)[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001553647655 894567923 /nfs/dbraw/zinc/56/79/23/894567923.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 1 3 270.377 -1.729 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000126955181 230175764 /nfs/dbraw/zinc/17/57/64/230175764.db2.gz IBPHFILMMIRKMB-QWRGUYRKSA-N 1 3 268.361 -1.125 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126954721 230176634 /nfs/dbraw/zinc/17/66/34/230176634.db2.gz IBPHFILMMIRKMB-WDEREUQCSA-N 1 3 268.361 -1.125 20 0 CAADHO O[C@@H]1CN(CCCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710244 230337424 /nfs/dbraw/zinc/33/74/24/230337424.db2.gz USGZRCGDMMGZDG-LPWJVIDDSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710244 230337428 /nfs/dbraw/zinc/33/74/28/230337428.db2.gz USGZRCGDMMGZDG-LPWJVIDDSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1C[NH+](CCCCCN2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710244 230337433 /nfs/dbraw/zinc/33/74/33/230337433.db2.gz USGZRCGDMMGZDG-LPWJVIDDSA-N 1 3 274.361 -1.769 20 0 CAADHO CN1C[C@@H](N[C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455286 334939141 /nfs/dbraw/zinc/93/91/41/334939141.db2.gz GVXMERVLQHCECB-QWRGUYRKSA-N 1 3 296.371 -1.114 20 0 CAADHO C[C@@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](C)C ZINC000573459814 334939950 /nfs/dbraw/zinc/93/99/50/334939950.db2.gz ORLFOULTWGSWNP-GARJFASQSA-N 1 3 283.376 -1.110 20 0 CAADHO C[C@@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](C)C ZINC000573459811 334939994 /nfs/dbraw/zinc/93/99/94/334939994.db2.gz ORLFOULTWGSWNP-AXFHLTTASA-N 1 3 283.376 -1.110 20 0 CAADHO CNc1nc(NCCN(C)C)nc(NCC[NH+](C)C)n1 ZINC000358468649 529833414 /nfs/dbraw/zinc/83/34/14/529833414.db2.gz INJVIPRSSWZDAG-UHFFFAOYSA-N 1 3 282.396 -1.874 20 0 CAADHO C[NH2+]C[C@H](C)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000420192010 529993962 /nfs/dbraw/zinc/99/39/62/529993962.db2.gz HYPJLIOTXNVTPD-JTQLQIEISA-N 1 3 297.407 -1.371 20 0 CAADHO O[C@@H]1C[C@H](O)CN(CCCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674497859 545598590 /nfs/dbraw/zinc/59/85/90/545598590.db2.gz LXWJOZCSQSVNLW-KPWCQOOUSA-N 1 3 288.388 -1.378 20 0 CAADHO O[C@@H]1C[C@H](O)CN(CCCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674497859 545598593 /nfs/dbraw/zinc/59/85/93/545598593.db2.gz LXWJOZCSQSVNLW-KPWCQOOUSA-N 1 3 288.388 -1.378 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000584052377 372814774 /nfs/dbraw/zinc/81/47/74/372814774.db2.gz HFWKCDSOVOQAPJ-MNOVXSKESA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000584052378 372815006 /nfs/dbraw/zinc/81/50/06/372815006.db2.gz HFWKCDSOVOQAPJ-QWRGUYRKSA-N 1 3 257.334 -1.059 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642786001 372844558 /nfs/dbraw/zinc/84/45/58/372844558.db2.gz WMTKAKORMHBAHG-JTQLQIEISA-N 1 3 266.345 -1.325 20 0 CAADHO O=C(CNC[C@@H]1CCCO1)NCCN1CC[NH2+]CC1 ZINC000125718231 372847213 /nfs/dbraw/zinc/84/72/13/372847213.db2.gz YKBDZVQHTLUIGZ-LBPRGKRZSA-N 1 3 270.377 -1.224 20 0 CAADHO O=C(CNC[C@H]1CCCO1)NCCN1CC[NH2+]CC1 ZINC000125718000 372847464 /nfs/dbraw/zinc/84/74/64/372847464.db2.gz YKBDZVQHTLUIGZ-GFCCVEGCSA-N 1 3 270.377 -1.224 20 0 CAADHO C[NH+]1CCC2(CC1)CN(c1nc(N)nc(N)n1)CCO2 ZINC000624336462 372853465 /nfs/dbraw/zinc/85/34/65/372853465.db2.gz RQMCLIPZFGFDNJ-UHFFFAOYSA-N 1 3 279.348 -1.002 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574414429 335018074 /nfs/dbraw/zinc/01/80/74/335018074.db2.gz RIOYHDZNIDMRTB-UTLUCORTSA-N 1 3 254.334 -1.260 20 0 CAADHO CNC(=O)NC(=O)CCN(C)CCOCC[NH2+]C ZINC000600728321 372892298 /nfs/dbraw/zinc/89/22/98/372892298.db2.gz OYETUSMVXBQWKW-UHFFFAOYSA-N 1 3 260.338 -1.000 20 0 CAADHO Nc1nc(N)nc(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000623858412 372903649 /nfs/dbraw/zinc/90/36/49/372903649.db2.gz LEHVQOSAMXNLJL-QMMMGPOBSA-N 1 3 267.337 -1.623 20 0 CAADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000642909306 372921007 /nfs/dbraw/zinc/92/10/07/372921007.db2.gz KHPMIEZPTKCAHX-NSHDSACASA-N 1 3 287.408 -1.598 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000562825468 372952238 /nfs/dbraw/zinc/95/22/38/372952238.db2.gz NMEWHOIKTYZEDP-GHMZBOCLSA-N 1 3 266.345 -1.183 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000562825468 372952250 /nfs/dbraw/zinc/95/22/50/372952250.db2.gz NMEWHOIKTYZEDP-GHMZBOCLSA-N 1 3 266.345 -1.183 20 0 CAADHO COC[C@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000643801266 372935282 /nfs/dbraw/zinc/93/52/82/372935282.db2.gz VHRGKIHEBVWGNQ-JQWIXIFHSA-N 1 3 257.334 -1.140 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452189 372961370 /nfs/dbraw/zinc/96/13/70/372961370.db2.gz WIXDWUNGMCGLCT-GXSJLCMTSA-N 1 3 282.344 -1.865 20 0 CAADHO CN1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000570396106 372992379 /nfs/dbraw/zinc/99/23/79/372992379.db2.gz XDOWBRDRKHPXID-NSHDSACASA-N 1 3 270.377 -1.144 20 0 CAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000580054939 373011178 /nfs/dbraw/zinc/01/11/78/373011178.db2.gz PLDGQZIPLKPMRD-NEPJUHHUSA-N 1 3 299.419 -1.456 20 0 CAADHO COCCN(C)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580052139 373009740 /nfs/dbraw/zinc/00/97/40/373009740.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 1 3 287.408 -1.151 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000569811732 372983312 /nfs/dbraw/zinc/98/33/12/372983312.db2.gz XTHUVXJNKWCIOU-KOLCDFICSA-N 1 3 272.349 -1.728 20 0 CAADHO CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000569843674 372984784 /nfs/dbraw/zinc/98/47/84/372984784.db2.gz LIVCYVSPHIFSIP-WDEREUQCSA-N 1 3 256.350 -1.615 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]([NH3+])C3CC3)CCN2C1=O ZINC000569989685 372985024 /nfs/dbraw/zinc/98/50/24/372985024.db2.gz PAVYSLZKDKQMEN-MXWKQRLJSA-N 1 3 281.360 -1.323 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000569843672 372986036 /nfs/dbraw/zinc/98/60/36/372986036.db2.gz LIVCYVSPHIFSIP-MNOVXSKESA-N 1 3 256.350 -1.615 20 0 CAADHO COCCN(C)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580052140 373010796 /nfs/dbraw/zinc/01/07/96/373010796.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 1 3 287.408 -1.151 20 0 CAADHO Nc1nc(N)nc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000624024771 373038099 /nfs/dbraw/zinc/03/80/99/373038099.db2.gz YDHYLCIZWZRORB-SECBINFHSA-N 1 3 279.348 -1.145 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873923 373106528 /nfs/dbraw/zinc/10/65/28/373106528.db2.gz SDWMIYNVBDNEBJ-HBNTYKKESA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878379 373106766 /nfs/dbraw/zinc/10/67/66/373106766.db2.gz HBHHFPNPAFQUKG-MMWGEVLESA-N 1 3 266.345 -1.116 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879334 373106782 /nfs/dbraw/zinc/10/67/82/373106782.db2.gz MZSYMIHMUYKEJO-OXIWPEFWSA-N 1 3 294.355 -2.007 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878053 373107076 /nfs/dbraw/zinc/10/70/76/373107076.db2.gz BVNAGWROYRORMI-GHMZBOCLSA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594874026 373107681 /nfs/dbraw/zinc/10/76/81/373107681.db2.gz ZRWDJYNHOSXIOS-LPEHRKFASA-N 1 3 252.318 -1.491 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877912 373107769 /nfs/dbraw/zinc/10/77/69/373107769.db2.gz ARDHSGKQKTTWLB-OUAUKWLOSA-N 1 3 282.344 -2.007 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877909 373107816 /nfs/dbraw/zinc/10/78/16/373107816.db2.gz ARDHSGKQKTTWLB-GARJFASQSA-N 1 3 282.344 -2.007 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873924 373107832 /nfs/dbraw/zinc/10/78/32/373107832.db2.gz SDWMIYNVBDNEBJ-OUAUKWLOSA-N 1 3 266.345 -1.101 20 0 CAADHO CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594879377 373107935 /nfs/dbraw/zinc/10/79/35/373107935.db2.gz NIDPJJUIJTZYNA-GUBZILKMSA-N 1 3 254.334 -1.245 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273194 373108868 /nfs/dbraw/zinc/10/88/68/373108868.db2.gz KGZYASBGQOQBNL-JXRVJTEKSA-N 1 3 293.371 -1.308 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000595267500 373109132 /nfs/dbraw/zinc/10/91/32/373109132.db2.gz MGIVGOIZXYNELI-KXUCPTDWSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CC3)CCN2C1=O ZINC000595268430 373109746 /nfs/dbraw/zinc/10/97/46/373109746.db2.gz TVVXRVGWWHOROK-AXFHLTTASA-N 1 3 281.360 -1.323 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267455 373109981 /nfs/dbraw/zinc/10/99/81/373109981.db2.gz LHXRKBVPHUEMGC-GHMZBOCLSA-N 1 3 281.360 -1.308 20 0 CAADHO CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595273820 373111818 /nfs/dbraw/zinc/11/18/18/373111818.db2.gz NGAQXMFXYFJHRN-LPEHRKFASA-N 1 3 269.349 -1.323 20 0 CAADHO C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595274579 373112764 /nfs/dbraw/zinc/11/27/64/373112764.db2.gz TZTHOLKSYFYTIU-OPRDCNLKSA-N 1 3 269.349 -1.452 20 0 CAADHO C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595274577 373113104 /nfs/dbraw/zinc/11/31/04/373113104.db2.gz TZTHOLKSYFYTIU-BBBLOLIVSA-N 1 3 269.349 -1.452 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969027 373127569 /nfs/dbraw/zinc/12/75/69/373127569.db2.gz BEPZDRIVCFFACL-OPQQBVKSSA-N 1 3 282.344 -2.129 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CCN2C1=O ZINC000595969870 373127597 /nfs/dbraw/zinc/12/75/97/373127597.db2.gz HZDONRBTOMLEOO-AATLWQCWSA-N 1 3 252.318 -1.506 20 0 CAADHO CN1CCN(C(=O)CCOC2CNC2)[C@H](C[NH3+])C1 ZINC000563101764 373218889 /nfs/dbraw/zinc/21/88/89/373218889.db2.gz NNNSHUVMGAVGNJ-SNVBAGLBSA-N 1 3 256.350 -1.534 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000599938105 373186772 /nfs/dbraw/zinc/18/67/72/373186772.db2.gz MGIVGOIZXYNELI-UTLUCORTSA-N 1 3 267.333 -1.698 20 0 CAADHO N[C@H]1C[C@@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023460 373191411 /nfs/dbraw/zinc/19/14/11/373191411.db2.gz WLEKOCJFWADWLJ-ZUXSNHBTSA-N 1 3 250.346 -1.018 20 0 CAADHO N[C@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023457 373192688 /nfs/dbraw/zinc/19/26/88/373192688.db2.gz WLEKOCJFWADWLJ-ZRZGDYATSA-N 1 3 250.346 -1.018 20 0 CAADHO COCC[N@H+](C)CCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636709112 373192790 /nfs/dbraw/zinc/19/27/90/373192790.db2.gz MSKNLIRBYSGCNJ-GFCCVEGCSA-N 1 3 288.392 -1.070 20 0 CAADHO COCC[N@@H+](C)CCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636709112 373192794 /nfs/dbraw/zinc/19/27/94/373192794.db2.gz MSKNLIRBYSGCNJ-GFCCVEGCSA-N 1 3 288.392 -1.070 20 0 CAADHO COCC[N@H+](C)CCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636709113 373192854 /nfs/dbraw/zinc/19/28/54/373192854.db2.gz MSKNLIRBYSGCNJ-LBPRGKRZSA-N 1 3 288.392 -1.070 20 0 CAADHO COCC[N@@H+](C)CCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636709113 373192858 /nfs/dbraw/zinc/19/28/58/373192858.db2.gz MSKNLIRBYSGCNJ-LBPRGKRZSA-N 1 3 288.392 -1.070 20 0 CAADHO CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000602526839 373199978 /nfs/dbraw/zinc/19/99/78/373199978.db2.gz PVWRNNNMUSWQDP-KXUCPTDWSA-N 1 3 254.334 -1.245 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000602526864 373202126 /nfs/dbraw/zinc/20/21/26/373202126.db2.gz PXIULIJZPCUWGX-RMIALFOJSA-N 1 3 296.371 -1.476 20 0 CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000602526860 373204156 /nfs/dbraw/zinc/20/41/56/373204156.db2.gz PXIULIJZPCUWGX-DYNIEEOBSA-N 1 3 296.371 -1.476 20 0 CAADHO CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000602526845 373204174 /nfs/dbraw/zinc/20/41/74/373204174.db2.gz PVWRNNNMUSWQDP-UTLUCORTSA-N 1 3 254.334 -1.245 20 0 CAADHO COCCN(C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336826725 373249005 /nfs/dbraw/zinc/24/90/05/373249005.db2.gz UGGUNPOCRIXKME-GFCCVEGCSA-N 1 3 288.392 -1.220 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C(N)C(F)(F)F ZINC000571402325 373305222 /nfs/dbraw/zinc/30/52/22/373305222.db2.gz KSYVKIHHLDPRKB-RNFRBKRXSA-N 1 3 254.256 -1.104 20 0 CAADHO O=C(CN1CCNCC1)NCCN1CC[NH2+]CC1 ZINC000637811522 373354202 /nfs/dbraw/zinc/35/42/02/373354202.db2.gz PPBDPPXFYJOIEJ-UHFFFAOYSA-N 1 3 255.366 -2.087 20 0 CAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000637865854 373356317 /nfs/dbraw/zinc/35/63/17/373356317.db2.gz IUGBLKYHYQZHMX-GHMZBOCLSA-N 1 3 256.350 -1.534 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000637865856 373357498 /nfs/dbraw/zinc/35/74/98/373357498.db2.gz IUGBLKYHYQZHMX-QWRGUYRKSA-N 1 3 256.350 -1.534 20 0 CAADHO COCCN(CCN(C)C)C(=O)CN1CC[NH2+]CC1 ZINC000638278940 373405495 /nfs/dbraw/zinc/40/54/95/373405495.db2.gz WPSHNZVDCCLZCY-UHFFFAOYSA-N 1 3 272.393 -1.072 20 0 CAADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CNCCO2)C1 ZINC000638337954 373413554 /nfs/dbraw/zinc/41/35/54/373413554.db2.gz NTXRLMYAKGLCNH-HOSYDEDBSA-N 1 3 257.334 -1.142 20 0 CAADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2CNCCO2)CCCOC1 ZINC000638337889 373413926 /nfs/dbraw/zinc/41/39/26/373413926.db2.gz LVNXNABORYDGJB-JQWIXIFHSA-N 1 3 257.334 -1.154 20 0 CAADHO CCO[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H]1C[NH3+] ZINC000638391886 373421205 /nfs/dbraw/zinc/42/12/05/373421205.db2.gz VEDFYKHQHWBKQU-LMLFDSFASA-N 1 3 257.334 -1.075 20 0 CAADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638436845 373422892 /nfs/dbraw/zinc/42/28/92/373422892.db2.gz GCALXSVWYIMIJD-CMPLNLGQSA-N 1 3 269.345 -1.046 20 0 CAADHO CCN1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137783 373388294 /nfs/dbraw/zinc/38/82/94/373388294.db2.gz NLXYTJCBBYNBIE-UHFFFAOYSA-N 1 3 283.420 -1.355 20 0 CAADHO COC[C@@]1(CNC(=O)CN2CCNCC2)CCC[NH2+]1 ZINC000638231807 373400400 /nfs/dbraw/zinc/40/04/00/373400400.db2.gz QMENXVPKHCOXOS-ZDUSSCGKSA-N 1 3 270.377 -1.224 20 0 CAADHO COC[C@]1(CNC(=O)CN2CCNCC2)CCC[NH2+]1 ZINC000638231806 373401390 /nfs/dbraw/zinc/40/13/90/373401390.db2.gz QMENXVPKHCOXOS-CYBMUJFWSA-N 1 3 270.377 -1.224 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)CN1CCNCC1 ZINC000638594522 373442270 /nfs/dbraw/zinc/44/22/70/373442270.db2.gz IRVATNOBUBULAP-UHFFFAOYSA-N 1 3 258.366 -1.414 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000638914257 373481842 /nfs/dbraw/zinc/48/18/42/373481842.db2.gz BHFNSQZGSFEXEL-DCAQKATOSA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1CCCCN(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000638914258 373482252 /nfs/dbraw/zinc/48/22/52/373482252.db2.gz BHFNSQZGSFEXEL-GARJFASQSA-N 1 3 266.345 -1.101 20 0 CAADHO CN(C(=O)C(=O)N1CCN2CCC[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332084748 373582797 /nfs/dbraw/zinc/58/27/97/373582797.db2.gz DXYWJRODUADHMH-WOPDTQHZSA-N 1 3 296.371 -1.916 20 0 CAADHO COCCN(C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351527339 373574979 /nfs/dbraw/zinc/57/49/79/373574979.db2.gz ZSISMAMOXJOUIA-LLVKDONJSA-N 1 3 286.376 -1.451 20 0 CAADHO CC[N@H+](CCNC(=O)C(=O)NC1CNC1)C(C)C ZINC000583312439 373640059 /nfs/dbraw/zinc/64/00/59/373640059.db2.gz CLMBAQDHQHDXCT-UHFFFAOYSA-N 1 3 256.350 -1.079 20 0 CAADHO CC[N@@H+](CCNC(=O)C(=O)NC1CNC1)C(C)C ZINC000583312439 373640065 /nfs/dbraw/zinc/64/00/65/373640065.db2.gz CLMBAQDHQHDXCT-UHFFFAOYSA-N 1 3 256.350 -1.079 20 0 CAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C[C@@H]21 ZINC000633114431 373652958 /nfs/dbraw/zinc/65/29/58/373652958.db2.gz XAKRFHHAAVNDQS-RHYQMDGZSA-N 1 3 278.356 -1.278 20 0 CAADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C ZINC000633116072 373656984 /nfs/dbraw/zinc/65/69/84/373656984.db2.gz OQTQUPXXDGKYSD-VHSXEESVSA-N 1 3 256.350 -1.046 20 0 CAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN)CCO ZINC000419521826 373670866 /nfs/dbraw/zinc/67/08/66/373670866.db2.gz KVLNEJGOEGGLTO-NSHDSACASA-N 1 3 288.392 -1.388 20 0 CAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN)CCO ZINC000419521826 373670870 /nfs/dbraw/zinc/67/08/70/373670870.db2.gz KVLNEJGOEGGLTO-NSHDSACASA-N 1 3 288.392 -1.388 20 0 CAADHO CN(CCNC(=O)C(=O)NCC(F)(F)CN)C1CC1 ZINC000419102525 373671389 /nfs/dbraw/zinc/67/13/89/373671389.db2.gz LANWCSBXDZEYNX-UHFFFAOYSA-N 1 3 278.303 -1.093 20 0 CAADHO C[NH+](C)CCN1C(=O)C[C@H](NCCN2CCOCC2)C1=O ZINC000572131658 373680399 /nfs/dbraw/zinc/68/03/99/373680399.db2.gz JZXSSGICJCHTFW-LBPRGKRZSA-N 1 3 298.387 -1.403 20 0 CAADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514950430 373721835 /nfs/dbraw/zinc/72/18/35/373721835.db2.gz GATOFPYBKFCAHG-AATLWQCWSA-N 1 3 269.349 -1.325 20 0 CAADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514950450 373721971 /nfs/dbraw/zinc/72/19/71/373721971.db2.gz GATOFPYBKFCAHG-AXTSPUMRSA-N 1 3 269.349 -1.325 20 0 CAADHO CNCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892146 373739609 /nfs/dbraw/zinc/73/96/09/373739609.db2.gz BEILOMMLZYINEU-JTQLQIEISA-N 1 3 256.350 -1.091 20 0 CAADHO CNCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892146 373739618 /nfs/dbraw/zinc/73/96/18/373739618.db2.gz BEILOMMLZYINEU-JTQLQIEISA-N 1 3 256.350 -1.091 20 0 CAADHO O=C1CNC(=O)N1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629566090 373776291 /nfs/dbraw/zinc/77/62/91/373776291.db2.gz LUDMNVHVIJJDOO-JTQLQIEISA-N 1 3 270.333 -1.416 20 0 CAADHO CN(CCCS(N)(=O)=O)CCN1CC[NH2+]CC1 ZINC000641797108 373814932 /nfs/dbraw/zinc/81/49/32/373814932.db2.gz URNYSSLNFKBPTB-UHFFFAOYSA-N 1 3 264.395 -1.498 20 0 CAADHO CS(=O)(=O)N1CC(CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629574281 373778345 /nfs/dbraw/zinc/77/83/45/373778345.db2.gz DUFHEDQJBMQLNP-GFCCVEGCSA-N 1 3 291.417 -1.076 20 0 CAADHO Cn1nnnc1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629575708 373778377 /nfs/dbraw/zinc/77/83/77/373778377.db2.gz PKRYONICQNIHIY-JTQLQIEISA-N 1 3 254.338 -1.201 20 0 CAADHO CS(=O)(=O)N1CC(CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629574305 373779468 /nfs/dbraw/zinc/77/94/68/373779468.db2.gz DUFHEDQJBMQLNP-LBPRGKRZSA-N 1 3 291.417 -1.076 20 0 CAADHO C[NH2+]CCOCCN(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000629653956 373781511 /nfs/dbraw/zinc/78/15/11/373781511.db2.gz SJOPWMIUQPNJFB-UHFFFAOYSA-N 1 3 284.360 -1.248 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000629789730 373783284 /nfs/dbraw/zinc/78/32/84/373783284.db2.gz XOWUPRAWWVOENK-UHFFFAOYSA-N 1 3 288.392 -1.299 20 0 CAADHO O=C(NCCCN1CC[NH2+]CC1)NCCN1CC[C@H](O)C1 ZINC000627064849 373837413 /nfs/dbraw/zinc/83/74/13/373837413.db2.gz XWWDTOCIDHGYCX-ZDUSSCGKSA-N 1 3 299.419 -1.353 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[NH2+]CC1 ZINC000126116044 373892739 /nfs/dbraw/zinc/89/27/39/373892739.db2.gz TUUIKMNPCOBOAO-NSHDSACASA-N 1 3 256.350 -1.092 20 0 CAADHO CN(C)CCOCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564208996 373894284 /nfs/dbraw/zinc/89/42/84/373894284.db2.gz FMIDSQOVWWBJSA-NSHDSACASA-N 1 3 286.376 -1.451 20 0 CAADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CNCCO1 ZINC000627102890 373841108 /nfs/dbraw/zinc/84/11/08/373841108.db2.gz WAKBUFAZJBAXGL-JTQLQIEISA-N 1 3 260.338 -1.361 20 0 CAADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CNCCO1 ZINC000627104058 373841338 /nfs/dbraw/zinc/84/13/38/373841338.db2.gz QXDWKUNMTIPKSO-QWRGUYRKSA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000627104058 373841340 /nfs/dbraw/zinc/84/13/40/373841340.db2.gz QXDWKUNMTIPKSO-QWRGUYRKSA-N 1 3 272.349 -1.659 20 0 CAADHO C[NH2+]CCOCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000627171552 373843449 /nfs/dbraw/zinc/84/34/49/373843449.db2.gz YQIIWNAWIJETCR-NSHDSACASA-N 1 3 273.381 -1.493 20 0 CAADHO CN1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H](CN)C1 ZINC000627148399 373844062 /nfs/dbraw/zinc/84/40/62/373844062.db2.gz WLDDOZCPONUJDB-LLVKDONJSA-N 1 3 285.392 -1.221 20 0 CAADHO CN1CCN(C(=O)NCCOCCC[NH3+])[C@H](CN)C1 ZINC000627219436 373853211 /nfs/dbraw/zinc/85/32/11/373853211.db2.gz WQHPYZGYKXHKPB-LLVKDONJSA-N 1 3 273.381 -1.364 20 0 CAADHO CN(C)C[C@@](C)(O)CNC(=O)NCCOCCC[NH3+] ZINC000627216720 373853801 /nfs/dbraw/zinc/85/38/01/373853801.db2.gz YKBDWJWTYQNIJM-LBPRGKRZSA-N 1 3 276.381 -1.036 20 0 CAADHO CN1CC[C@@](O)(CNC(=O)NCCOCCC[NH3+])C1 ZINC000627216647 373854155 /nfs/dbraw/zinc/85/41/55/373854155.db2.gz TYCPTHVJUWZWOQ-GFCCVEGCSA-N 1 3 274.365 -1.282 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000566237474 373945506 /nfs/dbraw/zinc/94/55/06/373945506.db2.gz VULLOXVUDGGDEZ-ONGXEEELSA-N 1 3 256.350 -1.046 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000566253043 373945923 /nfs/dbraw/zinc/94/59/23/373945923.db2.gz VNNYUCQRBTVLTB-KOLCDFICSA-N 1 3 256.350 -1.046 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)CC3(C[NH3+])CC3)CCN2C1=O ZINC000566495198 373949198 /nfs/dbraw/zinc/94/91/98/373949198.db2.gz DJNWXWRQDZIGFP-NXEZZACHSA-N 1 3 266.345 -1.114 20 0 CAADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567873672 373962626 /nfs/dbraw/zinc/96/26/26/373962626.db2.gz LCBUWOTUDXACEW-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO COCCNCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000564449911 373929818 /nfs/dbraw/zinc/92/98/18/373929818.db2.gz MBZLEKLPKXHXEN-LBPRGKRZSA-N 1 3 259.350 -1.035 20 0 CAADHO CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000565361751 373936251 /nfs/dbraw/zinc/93/62/51/373936251.db2.gz BGUAAIHQCIESDY-RYUDHWBXSA-N 1 3 297.403 -1.654 20 0 CAADHO CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000565361747 373936286 /nfs/dbraw/zinc/93/62/86/373936286.db2.gz BGUAAIHQCIESDY-NEPJUHHUSA-N 1 3 297.403 -1.654 20 0 CAADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565962579 373940801 /nfs/dbraw/zinc/94/08/01/373940801.db2.gz WDYPTHNGOOOQAQ-NSHDSACASA-N 1 3 286.376 -1.451 20 0 CAADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865756 373995333 /nfs/dbraw/zinc/99/53/33/373995333.db2.gz OKWHBSJOROOYQD-GZMMTYOYSA-N 1 3 266.345 -1.327 20 0 CAADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578739864 373995454 /nfs/dbraw/zinc/99/54/54/373995454.db2.gz SWWIRKVUNIEMAV-GHMZBOCLSA-N 1 3 286.376 -1.194 20 0 CAADHO COCCN1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995813 /nfs/dbraw/zinc/99/58/13/373995813.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 1 3 299.419 -1.009 20 0 CAADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578739866 373995905 /nfs/dbraw/zinc/99/59/05/373995905.db2.gz SWWIRKVUNIEMAV-QWRGUYRKSA-N 1 3 286.376 -1.194 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579474825 374001156 /nfs/dbraw/zinc/00/11/56/374001156.db2.gz PSRYQLZWPWIEQU-JQWIXIFHSA-N 1 3 285.392 -1.813 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287621 373970690 /nfs/dbraw/zinc/97/06/90/373970690.db2.gz DYWZEKPSBDCCIC-UVOCVTCTSA-N 1 3 279.344 -1.842 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000568620364 373971843 /nfs/dbraw/zinc/97/18/43/373971843.db2.gz YTGFEOKARUWISX-VXGBXAGGSA-N 1 3 270.377 -1.225 20 0 CAADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573267377 373980281 /nfs/dbraw/zinc/98/02/81/373980281.db2.gz GRCMTRMZFZVTSX-GDPRMGEGSA-N 1 3 266.345 -1.103 20 0 CAADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573267378 373980798 /nfs/dbraw/zinc/98/07/98/373980798.db2.gz GRCMTRMZFZVTSX-INTQDDNPSA-N 1 3 266.345 -1.103 20 0 CAADHO CN(CCOCC[NH3+])C(=O)C(=O)NCCN(C)C1CC1 ZINC000627318999 374070948 /nfs/dbraw/zinc/07/09/48/374070948.db2.gz HBEWFWRDWFFTHV-UHFFFAOYSA-N 1 3 286.376 -1.370 20 0 CAADHO CN(CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627319098 374072601 /nfs/dbraw/zinc/07/26/01/374072601.db2.gz JNLDMWVEXTZJHT-UHFFFAOYSA-N 1 3 298.387 -1.179 20 0 CAADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627384994 374117121 /nfs/dbraw/zinc/11/71/21/374117121.db2.gz WDYPTHNGOOOQAQ-LLVKDONJSA-N 1 3 286.376 -1.451 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627393520 374118328 /nfs/dbraw/zinc/11/83/28/374118328.db2.gz BOBAKHUCEAPKEK-SNVBAGLBSA-N 1 3 272.349 -1.841 20 0 CAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCCN(C)C ZINC000627394105 374118360 /nfs/dbraw/zinc/11/83/60/374118360.db2.gz XGLFDLGGGVBFRA-WDEREUQCSA-N 1 3 286.376 -1.453 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504777 374134887 /nfs/dbraw/zinc/13/48/87/374134887.db2.gz GLBHQNAQMCHUCJ-LLVKDONJSA-N 1 3 286.376 -1.499 20 0 CAADHO NC(=O)[C@H]1CCC[N@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623929860 374094498 /nfs/dbraw/zinc/09/44/98/374094498.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 1 3 294.363 -1.882 20 0 CAADHO NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc(N)nc(N)n2)C1 ZINC000623929860 374094500 /nfs/dbraw/zinc/09/45/00/374094500.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 1 3 294.363 -1.882 20 0 CAADHO COCC[N@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000623855332 374095226 /nfs/dbraw/zinc/09/52/26/374095226.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 1 3 255.326 -1.501 20 0 CAADHO COCC[N@@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000623855332 374095234 /nfs/dbraw/zinc/09/52/34/374095234.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 1 3 255.326 -1.501 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078561 374181708 /nfs/dbraw/zinc/18/17/08/374181708.db2.gz MFVWCYGTZKVFAA-PHIMTYICSA-N 1 3 268.361 -1.031 20 0 CAADHO O=S(=O)(C[C@@H]1CNCCO1)N1CCC[NH2+]CC1 ZINC000631901248 374151830 /nfs/dbraw/zinc/15/18/30/374151830.db2.gz WHENEBPINUFKBL-JTQLQIEISA-N 1 3 263.363 -1.400 20 0 CAADHO CN(C)CCCS(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000631907626 374153889 /nfs/dbraw/zinc/15/38/89/374153889.db2.gz OUVLHDBLIUXYEK-LLVKDONJSA-N 1 3 278.422 -1.157 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633088944 374184233 /nfs/dbraw/zinc/18/42/33/374184233.db2.gz JRVBZKPKTWEKSU-RYUDHWBXSA-N 1 3 298.387 -1.404 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574551588 335028898 /nfs/dbraw/zinc/02/88/98/335028898.db2.gz ZRMXFXIVGGIOHJ-NSHDSACASA-N 1 3 266.345 -1.229 20 0 CAADHO [NH3+]CCOCCN1CCC[C@H](N2CCNCC2=O)C1 ZINC000516468608 295234925 /nfs/dbraw/zinc/23/49/25/295234925.db2.gz ZZTPSJMJIFXWMJ-LBPRGKRZSA-N 1 3 270.377 -1.142 20 0 CAADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000063180445 252077346 /nfs/dbraw/zinc/07/73/46/252077346.db2.gz RNNIHCVQRUZFBP-NSHDSACASA-N 1 3 296.371 -1.078 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358512765 252155463 /nfs/dbraw/zinc/15/54/63/252155463.db2.gz IBCGIFNYBVOAEH-NEPJUHHUSA-N 1 3 298.387 -1.417 20 0 CAADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000378307825 252208253 /nfs/dbraw/zinc/20/82/53/252208253.db2.gz QHENGAVCZYQORR-OCCSQVGLSA-N 1 3 284.404 -1.195 20 0 CAADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000378307826 252208281 /nfs/dbraw/zinc/20/82/81/252208281.db2.gz QHENGAVCZYQORR-TZMCWYRMSA-N 1 3 284.404 -1.195 20 0 CAADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000378307823 252208803 /nfs/dbraw/zinc/20/88/03/252208803.db2.gz QHENGAVCZYQORR-GXTWGEPZSA-N 1 3 284.404 -1.195 20 0 CAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(CCN)CCO ZINC000418946386 252248038 /nfs/dbraw/zinc/24/80/38/252248038.db2.gz OPCZORIVHYHZRN-NSHDSACASA-N 1 3 288.392 -1.388 20 0 CAADHO O=C(CCOC1CNC1)NCCN1CC[NH2+]CC1 ZINC000515351345 252253023 /nfs/dbraw/zinc/25/30/23/252253023.db2.gz KGUYHBWBPZTARZ-UHFFFAOYSA-N 1 3 256.350 -1.614 20 0 CAADHO COCCN1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714112 532976278 /nfs/dbraw/zinc/97/62/78/532976278.db2.gz MJXQZAPEQDSIQB-SNVBAGLBSA-N 1 3 257.334 -1.188 20 0 CAADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262545023 285026823 /nfs/dbraw/zinc/02/68/23/285026823.db2.gz RUGFGXBCMJDHLA-WOPDTQHZSA-N 1 3 271.361 -1.064 20 0 CAADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372913153 285037042 /nfs/dbraw/zinc/03/70/42/285037042.db2.gz RUGFGXBCMJDHLA-SDDRHHMPSA-N 1 3 271.361 -1.064 20 0 CAADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN(C)C)C[C@@H](C)O1 ZINC000517741920 260014409 /nfs/dbraw/zinc/01/44/09/260014409.db2.gz IVTUDXCQHBEUNQ-YIYPIFLZSA-N 1 3 289.420 -1.031 20 0 CAADHO C[C@@H]1CN(C[C@H](O)CNC[C@H](O)C[NH+](C)C)C[C@@H](C)O1 ZINC000517741920 260014410 /nfs/dbraw/zinc/01/44/10/260014410.db2.gz IVTUDXCQHBEUNQ-YIYPIFLZSA-N 1 3 289.420 -1.031 20 0 CAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000647057938 409330152 /nfs/dbraw/zinc/33/01/52/409330152.db2.gz CIZYSZYJYCDBGL-LPEHRKFASA-N 1 3 272.324 -1.329 20 0 CAADHO CC1(OCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CNC1 ZINC000648136245 409321466 /nfs/dbraw/zinc/32/14/66/409321466.db2.gz LTJOGFVDBICEHY-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO CC1(OCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CNC1 ZINC000648138230 409322367 /nfs/dbraw/zinc/32/23/67/409322367.db2.gz XCPACMSCXIPYEN-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140914 409322698 /nfs/dbraw/zinc/32/26/98/409322698.db2.gz QDNBVBYLOWYJSD-QXEWZRGKSA-N 1 3 274.340 -1.098 20 0 CAADHO CC1(OCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CNC1 ZINC000648138231 409322737 /nfs/dbraw/zinc/32/27/37/409322737.db2.gz XCPACMSCXIPYEN-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000648148266 409323538 /nfs/dbraw/zinc/32/35/38/409323538.db2.gz YLHALPPKIRPRJI-JQWIXIFHSA-N 1 3 286.376 -1.419 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000647680636 409375682 /nfs/dbraw/zinc/37/56/82/409375682.db2.gz JYFICTVKVWQWJZ-UWVGGRQHSA-N 1 3 254.334 -1.196 20 0 CAADHO NC[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516827 409394492 /nfs/dbraw/zinc/39/44/92/409394492.db2.gz ZNQPCYZKYNIKBF-RQJHMYQMSA-N 1 3 282.266 -1.140 20 0 CAADHO NC[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516826 409394731 /nfs/dbraw/zinc/39/47/31/409394731.db2.gz ZNQPCYZKYNIKBF-RNFRBKRXSA-N 1 3 282.266 -1.140 20 0 CAADHO COCCNCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653127714 409331763 /nfs/dbraw/zinc/33/17/63/409331763.db2.gz XETSMSJRYHYKMP-JQWIXIFHSA-N 1 3 257.334 -1.425 20 0 CAADHO CCN1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125379 409332796 /nfs/dbraw/zinc/33/27/96/409332796.db2.gz XERHBYGVJNDPCG-ZFWWWQNUSA-N 1 3 296.415 -1.024 20 0 CAADHO COCCN(C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653114652 409332880 /nfs/dbraw/zinc/33/28/80/409332880.db2.gz QPCVBFLLZSMYDK-LLVKDONJSA-N 1 3 260.382 -1.040 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653163143 409342503 /nfs/dbraw/zinc/34/25/03/409342503.db2.gz IOEFEFPTEZLJTM-NHCYSSNCSA-N 1 3 255.318 -1.673 20 0 CAADHO [NH3+]CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237950107 409345595 /nfs/dbraw/zinc/34/55/95/409345595.db2.gz LUXFHHOYIKOLEX-UHFFFAOYSA-N 1 3 254.334 -1.288 20 0 CAADHO CN(CCN1CC[NH2+]CC1)C(=O)COC1(C)CNC1 ZINC000647777369 409408023 /nfs/dbraw/zinc/40/80/23/409408023.db2.gz MSJXLPSGIREUAU-UHFFFAOYSA-N 1 3 270.377 -1.272 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647876812 409414383 /nfs/dbraw/zinc/41/43/83/409414383.db2.gz AOEKAQWHPCKVIL-FOGDFJRCSA-N 1 3 286.376 -1.340 20 0 CAADHO CN1CCN(C(=O)COC2(C)CNC2)[C@H](C[NH3+])C1 ZINC000647874464 409415409 /nfs/dbraw/zinc/41/54/09/409415409.db2.gz YSPDISYSEKLVFJ-SNVBAGLBSA-N 1 3 256.350 -1.534 20 0 CAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000647877473 409415493 /nfs/dbraw/zinc/41/54/93/409415493.db2.gz RHSDXVQUVYFSDA-ZJUUUORDSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659535591 409421379 /nfs/dbraw/zinc/42/13/79/409421379.db2.gz ALQSVLFKPBPHNG-SNVBAGLBSA-N 1 3 273.381 -1.005 20 0 CAADHO CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000519600090 409446854 /nfs/dbraw/zinc/44/68/54/409446854.db2.gz NUBAHOQJJUWGBM-MNOVXSKESA-N 1 3 283.376 -2.044 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738129 409475079 /nfs/dbraw/zinc/47/50/79/409475079.db2.gz AGGABRZXPDWZNY-VXGBXAGGSA-N 1 3 298.387 -1.227 20 0 CAADHO CN1CCN(C(=O)CNC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000646835534 409494911 /nfs/dbraw/zinc/49/49/11/409494911.db2.gz ZDOGXVFAGRLNCT-RYUDHWBXSA-N 1 3 270.377 -1.144 20 0 CAADHO CN1CCN(C(=O)CNC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000646835533 409496002 /nfs/dbraw/zinc/49/60/02/409496002.db2.gz ZDOGXVFAGRLNCT-NWDGAFQWSA-N 1 3 270.377 -1.144 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000646843846 409496919 /nfs/dbraw/zinc/49/69/19/409496919.db2.gz MMISKXBHLPPILI-HBNTYKKESA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000646842323 409497457 /nfs/dbraw/zinc/49/74/57/409497457.db2.gz ANNLIJKUWXMBHD-GXSJLCMTSA-N 1 3 257.334 -1.061 20 0 CAADHO CN1CCN(C(=O)CNC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000646835532 409494680 /nfs/dbraw/zinc/49/46/80/409494680.db2.gz ZDOGXVFAGRLNCT-NEPJUHHUSA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[NH3+] ZINC000659511328 409558056 /nfs/dbraw/zinc/55/80/56/409558056.db2.gz VWSJXMKLQGQEMB-UHFFFAOYSA-N 1 3 273.381 -1.003 20 0 CAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000659685111 409561042 /nfs/dbraw/zinc/56/10/42/409561042.db2.gz NXWJHFOXYXMTJS-SECBINFHSA-N 1 3 256.350 -1.079 20 0 CAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000659708956 409563520 /nfs/dbraw/zinc/56/35/20/409563520.db2.gz ATONMMSFYAQJIK-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000659708955 409565012 /nfs/dbraw/zinc/56/50/12/409565012.db2.gz ATONMMSFYAQJIK-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707748 409565722 /nfs/dbraw/zinc/56/57/22/409565722.db2.gz IBCWDBGAIAYBHH-UHFFFAOYSA-N 1 3 298.387 -1.451 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000646843845 409497959 /nfs/dbraw/zinc/49/79/59/409497959.db2.gz MMISKXBHLPPILI-GARJFASQSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000646843844 409498419 /nfs/dbraw/zinc/49/84/19/409498419.db2.gz MMISKXBHLPPILI-DCAQKATOSA-N 1 3 257.334 -1.061 20 0 CAADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655970900 409522737 /nfs/dbraw/zinc/52/27/37/409522737.db2.gz ZVXDOYLTNAERTL-YNEHKIRRSA-N 1 3 298.387 -1.175 20 0 CAADHO COC[C@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663217902 409620973 /nfs/dbraw/zinc/62/09/73/409620973.db2.gz UHCIWPSZCHYOKP-LBPRGKRZSA-N 1 3 269.345 -1.187 20 0 CAADHO COC[C@@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663217900 409622661 /nfs/dbraw/zinc/62/26/61/409622661.db2.gz UHCIWPSZCHYOKP-GFCCVEGCSA-N 1 3 269.345 -1.187 20 0 CAADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663491897 409622935 /nfs/dbraw/zinc/62/29/35/409622935.db2.gz MQERLFJKRPCTLY-LLVKDONJSA-N 1 3 296.371 -1.555 20 0 CAADHO CN(C)[C@H]1CN(C(=O)NCCOCC[NH+](C)C)C[C@@H]1O ZINC000664731771 409633031 /nfs/dbraw/zinc/63/30/31/409633031.db2.gz JUJPPOIBXJLWLD-RYUDHWBXSA-N 1 3 288.392 -1.119 20 0 CAADHO CN(CC(=O)N1CCNCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243507 409585990 /nfs/dbraw/zinc/58/59/90/409585990.db2.gz MDWMSXCUKGYZII-GFCCVEGCSA-N 1 3 282.388 -1.129 20 0 CAADHO CO[C@@H](C[NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659188 409601942 /nfs/dbraw/zinc/60/19/42/409601942.db2.gz JDJXGPXHOHXUGK-LLVKDONJSA-N 1 3 288.392 -1.171 20 0 CAADHO CC[NH+]1CCN(CCCNC(=O)C2(O)CNC2)CC1 ZINC000662758353 409606647 /nfs/dbraw/zinc/60/66/47/409606647.db2.gz QXGSHUHHZZAOSI-UHFFFAOYSA-N 1 3 270.377 -1.536 20 0 CAADHO C[C@H](CNC(=O)C1(O)CNC1)C[NH+]1CCN(C)CC1 ZINC000662758363 409608965 /nfs/dbraw/zinc/60/89/65/409608965.db2.gz QYEQHLBJMWRYGG-LLVKDONJSA-N 1 3 270.377 -1.680 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662874138 409611371 /nfs/dbraw/zinc/61/13/71/409611371.db2.gz MIMHVBRGVCBWQK-PJXYFTJBSA-N 1 3 282.388 -1.070 20 0 CAADHO CN(C(=O)C(=O)N1CCN2CCC[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332084747 228147135 /nfs/dbraw/zinc/14/71/35/228147135.db2.gz DXYWJRODUADHMH-SRVKXCTJSA-N 1 3 296.371 -1.916 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419943477 230258257 /nfs/dbraw/zinc/25/82/57/230258257.db2.gz PWZONZRNAUZJNK-NSHDSACASA-N 1 3 288.392 -1.266 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419943476 230258385 /nfs/dbraw/zinc/25/83/85/230258385.db2.gz PWZONZRNAUZJNK-LLVKDONJSA-N 1 3 288.392 -1.266 20 0 CAADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000424142949 230278036 /nfs/dbraw/zinc/27/80/36/230278036.db2.gz JBBCBWVCMIOXPW-MNOVXSKESA-N 1 3 294.359 -1.153 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC[NH3+])CC1=O ZINC000424001221 230279372 /nfs/dbraw/zinc/27/93/72/230279372.db2.gz GSEPJQJQQLMIFP-JTQLQIEISA-N 1 3 256.350 -1.186 20 0 CAADHO CN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000518360059 260382822 /nfs/dbraw/zinc/38/28/22/260382822.db2.gz GYGGHBMCQZSDMH-YFKTTZPYSA-N 1 3 296.371 -2.060 20 0 CAADHO CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516980793 269089010 /nfs/dbraw/zinc/08/90/10/269089010.db2.gz CHZFLHBRLROHRD-BDAKNGLRSA-N 1 3 254.334 -1.258 20 0 CAADHO CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000521464358 269089578 /nfs/dbraw/zinc/08/95/78/269089578.db2.gz SWOZVCBMRCWUMX-UWVGGRQHSA-N 1 3 269.349 -1.451 20 0 CAADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2C[NH2+]C2)CCSC1 ZINC000575236990 335086788 /nfs/dbraw/zinc/08/67/88/335086788.db2.gz SMGORBJHNHISSP-GFCCVEGCSA-N 1 3 286.401 -1.372 20 0 CAADHO CCN(C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538006 276304903 /nfs/dbraw/zinc/30/49/03/276304903.db2.gz QHFUBMZMOFIITE-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CO[C@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353470340 294410322 /nfs/dbraw/zinc/41/03/22/294410322.db2.gz QUCMXZLQTRDGHU-GFCCVEGCSA-N 1 3 298.387 -1.273 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152433220 782063745 /nfs/dbraw/zinc/06/37/45/782063745.db2.gz YEHXBHRCZOIAHJ-UHFFFAOYSA-N 1 3 299.375 -1.416 20 0 CAADHO C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570818127 327621333 /nfs/dbraw/zinc/62/13/33/327621333.db2.gz LRZXHZXBLZTCOB-KXUCPTDWSA-N 1 3 269.349 -1.465 20 0 CAADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582350604 328967652 /nfs/dbraw/zinc/96/76/52/328967652.db2.gz BVNMDFKYRDHSCZ-JTQLQIEISA-N 1 3 254.334 -1.373 20 0 CAADHO O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)CN1CCCC1 ZINC000583694102 329004539 /nfs/dbraw/zinc/00/45/39/329004539.db2.gz WOIUQVUOBPMESD-ZIAGYGMSSA-N 1 3 287.404 -1.274 20 0 CAADHO O[C@H](C[NH2+]C[C@H](O)CN1CCOCC1)CN1CCCC1 ZINC000583694100 329004531 /nfs/dbraw/zinc/00/45/31/329004531.db2.gz WOIUQVUOBPMESD-KGLIPLIRSA-N 1 3 287.404 -1.274 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000563442787 328066732 /nfs/dbraw/zinc/06/67/32/328066732.db2.gz UEEVRUMNNMPDBB-OUAUKWLOSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000563442785 328066846 /nfs/dbraw/zinc/06/68/46/328066846.db2.gz UEEVRUMNNMPDBB-GMTAPVOTSA-N 1 3 266.345 -1.244 20 0 CAADHO C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563452525 328067070 /nfs/dbraw/zinc/06/70/70/328067070.db2.gz XMBNLOVWAMYCBT-ZJUUUORDSA-N 1 3 269.349 -1.451 20 0 CAADHO CC[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563452561 328067326 /nfs/dbraw/zinc/06/73/26/328067326.db2.gz XUMUIJAJZZYAMK-GHMZBOCLSA-N 1 3 283.376 -1.061 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000563645488 328080766 /nfs/dbraw/zinc/08/07/66/328080766.db2.gz WBZGLJKPYAWXCE-UHFFFAOYSA-N 1 3 272.349 -1.889 20 0 CAADHO CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571583111 328135319 /nfs/dbraw/zinc/13/53/19/328135319.db2.gz XMXSWDQCDWSECQ-WDEREUQCSA-N 1 3 283.376 -1.061 20 0 CAADHO CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571583109 328135335 /nfs/dbraw/zinc/13/53/35/328135335.db2.gz XMXSWDQCDWSECQ-MNOVXSKESA-N 1 3 283.376 -1.061 20 0 CAADHO CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571583108 328135365 /nfs/dbraw/zinc/13/53/65/328135365.db2.gz XMXSWDQCDWSECQ-GHMZBOCLSA-N 1 3 283.376 -1.061 20 0 CAADHO COC[C@]1(CNC(=O)COC2CNC2)CCC[NH2+]1 ZINC000571639930 328156389 /nfs/dbraw/zinc/15/63/89/328156389.db2.gz OFEAKQIFDMHWLH-GFCCVEGCSA-N 1 3 257.334 -1.140 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000557293278 327000569 /nfs/dbraw/zinc/00/05/69/327000569.db2.gz APBMATMCNJTQBJ-UHFFFAOYSA-N 1 3 272.349 -1.841 20 0 CAADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000569339238 327096757 /nfs/dbraw/zinc/09/67/57/327096757.db2.gz WUXQUYOIVDNBPS-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000569339210 327096764 /nfs/dbraw/zinc/09/67/64/327096764.db2.gz URMJJQXHDQCCAH-NSHDSACASA-N 1 3 298.387 -1.179 20 0 CAADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865758 327352265 /nfs/dbraw/zinc/35/22/65/327352265.db2.gz OKWHBSJOROOYQD-KWQFWETISA-N 1 3 266.345 -1.327 20 0 CAADHO CN(CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1 ZINC000561239519 327378293 /nfs/dbraw/zinc/37/82/93/327378293.db2.gz HARATJAJYWNNNV-LBPRGKRZSA-N 1 3 297.403 -1.702 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000569811733 327548791 /nfs/dbraw/zinc/54/87/91/327548791.db2.gz XTHUVXJNKWCIOU-ONGXEEELSA-N 1 3 272.349 -1.728 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000569843671 327551626 /nfs/dbraw/zinc/55/16/26/327551626.db2.gz LIVCYVSPHIFSIP-GHMZBOCLSA-N 1 3 256.350 -1.615 20 0 CAADHO C[NH2+][C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000570332164 327583345 /nfs/dbraw/zinc/58/33/45/327583345.db2.gz JCXXDXREOSKCOC-KOLCDFICSA-N 1 3 256.350 -1.094 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617472 329118383 /nfs/dbraw/zinc/11/83/83/329118383.db2.gz PNYCJXONHWPSIF-GARJFASQSA-N 1 3 281.360 -1.308 20 0 CAADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCNCC2)CCCO1 ZINC000572524317 333185065 /nfs/dbraw/zinc/18/50/65/333185065.db2.gz CSWYMHOZRLHSNV-GFCCVEGCSA-N 1 3 270.377 -1.142 20 0 CAADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000564656197 334515173 /nfs/dbraw/zinc/51/51/73/334515173.db2.gz JELKSEWNKIYZJC-QWRGUYRKSA-N 1 3 288.392 -1.077 20 0 CAADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000564656195 334515333 /nfs/dbraw/zinc/51/53/33/334515333.db2.gz JELKSEWNKIYZJC-MNOVXSKESA-N 1 3 288.392 -1.077 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251045 334548153 /nfs/dbraw/zinc/54/81/53/334548153.db2.gz SQDUBFGFLIRHPV-RKDXNWHRSA-N 1 3 253.306 -2.088 20 0 CAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565251430 334548158 /nfs/dbraw/zinc/54/81/58/334548158.db2.gz VXPPNMWHOUDIDB-RHYQMDGZSA-N 1 3 295.387 -1.062 20 0 CAADHO COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565669693 334586904 /nfs/dbraw/zinc/58/69/04/334586904.db2.gz HUHGCYHCMIQZPF-MNOVXSKESA-N 1 3 299.375 -1.824 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567913955 334775168 /nfs/dbraw/zinc/77/51/68/334775168.db2.gz UAPLEGHVRZHJGW-SCVCMEIPSA-N 1 3 268.361 -1.094 20 0 CAADHO COCCNCC(=O)NCCCN1CC[NH2+]CC1 ZINC000568863987 334843079 /nfs/dbraw/zinc/84/30/79/334843079.db2.gz ORKQBMOXKFGVEM-UHFFFAOYSA-N 1 3 258.366 -1.366 20 0 CAADHO O=C(COC1CNC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000568878206 334844720 /nfs/dbraw/zinc/84/47/20/334844720.db2.gz PBKZDSKZFVMTIQ-LLVKDONJSA-N 1 3 268.361 -1.519 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000573121768 334910643 /nfs/dbraw/zinc/91/06/43/334910643.db2.gz RGRONCLUIPLCNW-KOLCDFICSA-N 1 3 256.350 -1.094 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000576598481 335225075 /nfs/dbraw/zinc/22/50/75/335225075.db2.gz NVQMTIJDNLTKMW-OUJBWJOFSA-N 1 3 266.345 -1.101 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576599672 335225220 /nfs/dbraw/zinc/22/52/20/335225220.db2.gz LGDWDFSAZAEPQH-KKOKHZNYSA-N 1 3 295.387 -1.062 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000577628189 335382130 /nfs/dbraw/zinc/38/21/30/335382130.db2.gz UEEVRUMNNMPDBB-HBNTYKKESA-N 1 3 266.345 -1.244 20 0 CAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577740325 335394936 /nfs/dbraw/zinc/39/49/36/335394936.db2.gz VDMIYCIJQFLUAX-GFCCVEGCSA-N 1 3 299.419 -1.502 20 0 CAADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000577844711 335410416 /nfs/dbraw/zinc/41/04/16/335410416.db2.gz VOXXBELLLRPKMR-LLVKDONJSA-N 1 3 287.408 -1.598 20 0 CAADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578739865 335668217 /nfs/dbraw/zinc/66/82/17/335668217.db2.gz SWWIRKVUNIEMAV-MNOVXSKESA-N 1 3 286.376 -1.194 20 0 CAADHO CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578767428 335672600 /nfs/dbraw/zinc/67/26/00/335672600.db2.gz UTLANZFJJZXLDR-KXUCPTDWSA-N 1 3 254.334 -1.116 20 0 CAADHO CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578767429 335672691 /nfs/dbraw/zinc/67/26/91/335672691.db2.gz UTLANZFJJZXLDR-LPEHRKFASA-N 1 3 254.334 -1.116 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322011 336048941 /nfs/dbraw/zinc/04/89/41/336048941.db2.gz GOAPEPQRZJRSDL-ZJUUUORDSA-N 1 3 281.360 -1.179 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322009 336049088 /nfs/dbraw/zinc/04/90/88/336049088.db2.gz GOAPEPQRZJRSDL-UWVGGRQHSA-N 1 3 281.360 -1.179 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381620 336066041 /nfs/dbraw/zinc/06/60/41/336066041.db2.gz PNYCJXONHWPSIF-GMTAPVOTSA-N 1 3 281.360 -1.308 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581605877 336110930 /nfs/dbraw/zinc/11/09/30/336110930.db2.gz FAZHEPDREVDASZ-CHWSQXEVSA-N 1 3 282.388 -1.129 20 0 CAADHO CN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000581619492 336113820 /nfs/dbraw/zinc/11/38/20/336113820.db2.gz YICIRKXJTCWVEI-VIFPVBQESA-N 1 3 254.334 -1.325 20 0 CAADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581895858 336162377 /nfs/dbraw/zinc/16/23/77/336162377.db2.gz RIOYHDZNIDMRTB-KXUCPTDWSA-N 1 3 254.334 -1.260 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001202057171 782109930 /nfs/dbraw/zinc/10/99/30/782109930.db2.gz DOQGQLBZYDQGAY-RYUDHWBXSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001202057171 782109936 /nfs/dbraw/zinc/10/99/36/782109936.db2.gz DOQGQLBZYDQGAY-RYUDHWBXSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001202057170 782110379 /nfs/dbraw/zinc/11/03/79/782110379.db2.gz DOQGQLBZYDQGAY-NWDGAFQWSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001202057170 782110384 /nfs/dbraw/zinc/11/03/84/782110384.db2.gz DOQGQLBZYDQGAY-NWDGAFQWSA-N 1 3 298.387 -1.370 20 0 CAADHO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]12 ZINC000923635618 782122752 /nfs/dbraw/zinc/12/27/52/782122752.db2.gz OIOBDEKXJQETDW-HBNTYKKESA-N 1 3 274.390 -1.195 20 0 CAADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274563750 782152082 /nfs/dbraw/zinc/15/20/82/782152082.db2.gz BGXWFCPZGURRMX-JSGCOSHPSA-N 1 3 285.388 -1.174 20 0 CAADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274563750 782152088 /nfs/dbraw/zinc/15/20/88/782152088.db2.gz BGXWFCPZGURRMX-JSGCOSHPSA-N 1 3 285.388 -1.174 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262547809 533805620 /nfs/dbraw/zinc/80/56/20/533805620.db2.gz WAYUQGLDLHXQCH-UWVGGRQHSA-N 1 3 256.350 -1.140 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000126954957 521774356 /nfs/dbraw/zinc/77/43/56/521774356.db2.gz IBPHFILMMIRKMB-MNOVXSKESA-N 1 3 268.361 -1.125 20 0 CAADHO CCN1CCN(CCNC(=O)C[NH2+]CCOC)CC1 ZINC000431002589 529145769 /nfs/dbraw/zinc/14/57/69/529145769.db2.gz MYDYKQYBXVPHCR-UHFFFAOYSA-N 1 3 272.393 -1.024 20 0 CAADHO CCN1CCN(CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431011833 529145820 /nfs/dbraw/zinc/14/58/20/529145820.db2.gz VSSDQCJJZWXKJJ-UHFFFAOYSA-N 1 3 270.377 -1.272 20 0 CAADHO CC1(OCC(=O)N2CCCO[C@H](C[NH3+])C2)CNC1 ZINC000648177620 545505778 /nfs/dbraw/zinc/50/57/78/545505778.db2.gz JZQSSWOCYZBPCO-SNVBAGLBSA-N 1 3 257.334 -1.059 20 0 CAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000659713644 545545905 /nfs/dbraw/zinc/54/59/05/545545905.db2.gz GXKFVWQBKOPVIH-GFCCVEGCSA-N 1 3 298.387 -1.356 20 0 CAADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659714495 545546662 /nfs/dbraw/zinc/54/66/62/545546662.db2.gz MHOTYFYKJUXTIK-LLVKDONJSA-N 1 3 268.361 -1.078 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659714497 545546693 /nfs/dbraw/zinc/54/66/93/545546693.db2.gz MHOTYFYKJUXTIK-NSHDSACASA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCOCCN(C)C ZINC000564656198 545563812 /nfs/dbraw/zinc/56/38/12/545563812.db2.gz JELKSEWNKIYZJC-WDEREUQCSA-N 1 3 288.392 -1.077 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662929877 545582124 /nfs/dbraw/zinc/58/21/24/545582124.db2.gz IEVHZBIQCZMUNI-UHFFFAOYSA-N 1 3 288.392 -1.170 20 0 CAADHO CC(C(=O)N(C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000135227170 545588732 /nfs/dbraw/zinc/58/87/32/545588732.db2.gz UISIRHYPQQHWSO-SNVBAGLBSA-N 1 3 277.390 -1.217 20 0 CAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000642801232 582109790 /nfs/dbraw/zinc/10/97/90/582109790.db2.gz JWPCAUZRPUYYOF-LBPRGKRZSA-N 1 3 299.419 -1.454 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000851663727 582111893 /nfs/dbraw/zinc/11/18/93/582111893.db2.gz HIABHPKDGXMZNM-JTQLQIEISA-N 1 3 273.381 -1.005 20 0 CAADHO O=C(CCOC1CNC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363856 582123596 /nfs/dbraw/zinc/12/35/96/582123596.db2.gz CMQJDPZWWSABTM-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000843356716 582213899 /nfs/dbraw/zinc/21/38/99/582213899.db2.gz WTPAAPKKYIFGOT-NWDGAFQWSA-N 1 3 270.377 -1.144 20 0 CAADHO CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000843356715 582213924 /nfs/dbraw/zinc/21/39/24/582213924.db2.gz WTPAAPKKYIFGOT-NEPJUHHUSA-N 1 3 270.377 -1.144 20 0 CAADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851685009 582229170 /nfs/dbraw/zinc/22/91/70/582229170.db2.gz OMSUAPGYZFWCNG-NWDGAFQWSA-N 1 3 298.387 -1.227 20 0 CAADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851685011 582229207 /nfs/dbraw/zinc/22/92/07/582229207.db2.gz OMSUAPGYZFWCNG-RYUDHWBXSA-N 1 3 298.387 -1.227 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692281 582229462 /nfs/dbraw/zinc/22/94/62/582229462.db2.gz XZOXBRGUBRQMRO-NSHDSACASA-N 1 3 286.376 -1.634 20 0 CAADHO NC[C@H]1CC(C(=O)NCCN2CC[NH2+]CC2)=NO1 ZINC000852793166 582230638 /nfs/dbraw/zinc/23/06/38/582230638.db2.gz SOAZAJUWRHCNDF-SECBINFHSA-N 1 3 255.322 -1.889 20 0 CAADHO COCCN(C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863460 582231544 /nfs/dbraw/zinc/23/15/44/582231544.db2.gz GDRYNLGGVSUIGH-SECBINFHSA-N 1 3 258.322 -1.216 20 0 CAADHO CCN1CCN(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873298 582231548 /nfs/dbraw/zinc/23/15/48/582231548.db2.gz REXWTDYRRZZAMB-LLVKDONJSA-N 1 3 283.376 -1.156 20 0 CAADHO COCCN1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867529 582231589 /nfs/dbraw/zinc/23/15/89/582231589.db2.gz XCBNDOJSCVXVPT-VHSXEESVSA-N 1 3 270.333 -1.073 20 0 CAADHO COC[C@]1(CNC(=O)C2=NO[C@@H](CN)C2)CCC[NH2+]1 ZINC000852879396 582231720 /nfs/dbraw/zinc/23/17/20/582231720.db2.gz DUGQJHMNCCPTJV-BXKDBHETSA-N 1 3 270.333 -1.025 20 0 CAADHO NC[C@H]1CC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881616 582231812 /nfs/dbraw/zinc/23/18/12/582231812.db2.gz YMTORSFXQSMKRF-WDEREUQCSA-N 1 3 281.360 -1.404 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881612 582231830 /nfs/dbraw/zinc/23/18/30/582231830.db2.gz YMTORSFXQSMKRF-MNOVXSKESA-N 1 3 281.360 -1.404 20 0 CAADHO NC[C@H]1CC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880246 582231884 /nfs/dbraw/zinc/23/18/84/582231884.db2.gz KZYGYPLQGDTJHJ-WDEREUQCSA-N 1 3 281.360 -1.404 20 0 CAADHO C[NH+](C)CCOCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852886062 582231926 /nfs/dbraw/zinc/23/19/26/582231926.db2.gz GICAGFQORXPWOR-SECBINFHSA-N 1 3 258.322 -1.216 20 0 CAADHO C[NH+](C)CCOCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852886063 582231949 /nfs/dbraw/zinc/23/19/49/582231949.db2.gz GICAGFQORXPWOR-VIFPVBQESA-N 1 3 258.322 -1.216 20 0 CAADHO CCO[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C[NH3+] ZINC000852896285 582232135 /nfs/dbraw/zinc/23/21/35/582232135.db2.gz XEHOOQCANATQEX-WCABBAIRSA-N 1 3 270.333 -1.088 20 0 CAADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756377 582244985 /nfs/dbraw/zinc/24/49/85/582244985.db2.gz YIPVSKUINVKVRN-WOPDTQHZSA-N 1 3 296.371 -1.556 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861758000 582245037 /nfs/dbraw/zinc/24/50/37/582245037.db2.gz OIGPJWRFFNMJAT-NSHDSACASA-N 1 3 288.392 -1.124 20 0 CAADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756375 582245059 /nfs/dbraw/zinc/24/50/59/582245059.db2.gz YIPVSKUINVKVRN-IJLUTSLNSA-N 1 3 296.371 -1.556 20 0 CAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000861770699 582245074 /nfs/dbraw/zinc/24/50/74/582245074.db2.gz BXLKYORFAIGZSE-SNVBAGLBSA-N 1 3 274.365 -1.514 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390368 582256158 /nfs/dbraw/zinc/25/61/58/582256158.db2.gz ITYNYWVRRDIOGP-GHMZBOCLSA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390368 582256159 /nfs/dbraw/zinc/25/61/59/582256159.db2.gz ITYNYWVRRDIOGP-GHMZBOCLSA-N 1 3 268.361 -1.044 20 0 CAADHO CN(C)C[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876525353 582262538 /nfs/dbraw/zinc/26/25/38/582262538.db2.gz CJQSCQXZSWRHSZ-NSHDSACASA-N 1 3 257.382 -1.761 20 0 CAADHO CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](CN)C1 ZINC000876541582 582262648 /nfs/dbraw/zinc/26/26/48/582262648.db2.gz ATFFKUFPDULYHF-CIUDSAMLSA-N 1 3 262.304 -1.072 20 0 CAADHO COCC[N@H+](C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000876727943 582263117 /nfs/dbraw/zinc/26/31/17/582263117.db2.gz DNADQVBVIWDKBF-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000876727943 582263119 /nfs/dbraw/zinc/26/31/19/582263119.db2.gz DNADQVBVIWDKBF-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO CN(C)C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850963 582263442 /nfs/dbraw/zinc/26/34/42/582263442.db2.gz GCTXKNVOEGCGOZ-RYUDHWBXSA-N 1 3 269.393 -1.619 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000877029447 582264032 /nfs/dbraw/zinc/26/40/32/582264032.db2.gz CTCXGDWKEXDNMA-VIFPVBQESA-N 1 3 258.322 -1.216 20 0 CAADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nnn(C)n1 ZINC000878969321 582266776 /nfs/dbraw/zinc/26/67/76/582266776.db2.gz RBVSVOSIUMBOCC-UHFFFAOYSA-N 1 3 269.353 -1.225 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884588154 582275483 /nfs/dbraw/zinc/27/54/83/582275483.db2.gz ZXEYVCVXEFNGBF-RYUDHWBXSA-N 1 3 298.387 -1.356 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884662118 582275834 /nfs/dbraw/zinc/27/58/34/582275834.db2.gz ILFBJDBYWLCYFO-TXEJJXNPSA-N 1 3 298.387 -1.356 20 0 CAADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN)CC[C@@H]21 ZINC000884673413 582275854 /nfs/dbraw/zinc/27/58/54/582275854.db2.gz WFSQRFLCVZLXIW-ZJUUUORDSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN)CC[C@@H]21 ZINC000884673413 582275855 /nfs/dbraw/zinc/27/58/55/582275855.db2.gz WFSQRFLCVZLXIW-ZJUUUORDSA-N 1 3 254.334 -1.386 20 0 CAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCOCCN(C)C ZINC000884662459 582275868 /nfs/dbraw/zinc/27/58/68/582275868.db2.gz QHYXMPVZMKKMJY-GHMZBOCLSA-N 1 3 286.376 -1.371 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)CC1 ZINC000958375786 616167174 /nfs/dbraw/zinc/16/71/74/616167174.db2.gz WCFMDILIOXPMIS-CHWSQXEVSA-N 1 3 285.388 -1.271 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970713499 616363514 /nfs/dbraw/zinc/36/35/14/616363514.db2.gz ZBISBSSVBYUPKD-VHSXEESVSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970713499 616363519 /nfs/dbraw/zinc/36/35/19/616363519.db2.gz ZBISBSSVBYUPKD-VHSXEESVSA-N 1 3 254.334 -1.386 20 0 CAADHO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000903554264 656185677 /nfs/dbraw/zinc/18/56/77/656185677.db2.gz OHWFCUFSSLAYKQ-VIFPVBQESA-N 1 3 262.379 -1.276 20 0 CAADHO NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720304 656017877 /nfs/dbraw/zinc/01/78/77/656017877.db2.gz QBXAPXODJPRDKW-SNVBAGLBSA-N 1 3 254.334 -1.242 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926292963 656029079 /nfs/dbraw/zinc/02/90/79/656029079.db2.gz IJQSIDPBZCTOQC-CYBMUJFWSA-N 1 3 286.376 -1.681 20 0 CAADHO NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775991 656068717 /nfs/dbraw/zinc/06/87/17/656068717.db2.gz QBXAPXODJPRDKW-JTQLQIEISA-N 1 3 254.334 -1.242 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145926 656071864 /nfs/dbraw/zinc/07/18/64/656071864.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 1 3 292.383 -1.127 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145926 656071866 /nfs/dbraw/zinc/07/18/66/656071866.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 1 3 292.383 -1.127 20 0 CAADHO [NH3+]CCOCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000093232420 656081828 /nfs/dbraw/zinc/08/18/28/656081828.db2.gz WCAVHKWWWGGBTQ-WDEREUQCSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]CCOCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000093232419 656081999 /nfs/dbraw/zinc/08/19/99/656081999.db2.gz WCAVHKWWWGGBTQ-GHMZBOCLSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]CCOCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000093232421 656082021 /nfs/dbraw/zinc/08/20/21/656082021.db2.gz WCAVHKWWWGGBTQ-MNOVXSKESA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC000923741647 656163624 /nfs/dbraw/zinc/16/36/24/656163624.db2.gz YEDPCKOAYPQTLI-VHSXEESVSA-N 1 3 262.379 -1.147 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCNCCNCC1 ZINC000903519738 656185039 /nfs/dbraw/zinc/18/50/39/656185039.db2.gz KYFHNUQGXZBGLJ-UHFFFAOYSA-N 1 3 290.433 -1.189 20 0 CAADHO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)N1CCNCC1 ZINC000903584625 656185755 /nfs/dbraw/zinc/18/57/55/656185755.db2.gz KIOUQZQVZWHSBI-WDEREUQCSA-N 1 3 274.390 -1.050 20 0 CAADHO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCNCC1 ZINC000903560780 656185814 /nfs/dbraw/zinc/18/58/14/656185814.db2.gz IWSLRVAKOHQNEP-IVZWLZJFSA-N 1 3 260.363 -1.381 20 0 CAADHO CN1CCN(CCNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905551827 656191876 /nfs/dbraw/zinc/19/18/76/656191876.db2.gz RYQYOWHOEJBKDC-UHFFFAOYSA-N 1 3 297.447 -1.157 20 0 CAADHO CN1CCN(CCNC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905551827 656191879 /nfs/dbraw/zinc/19/18/79/656191879.db2.gz RYQYOWHOEJBKDC-UHFFFAOYSA-N 1 3 297.447 -1.157 20 0 CAADHO CN1CCN(C)[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906649956 656193976 /nfs/dbraw/zinc/19/39/76/656193976.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 1 3 297.447 -1.158 20 0 CAADHO CN1CCN(C)[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906649956 656193979 /nfs/dbraw/zinc/19/39/79/656193979.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 1 3 297.447 -1.158 20 0 CAADHO CN(C)C[C@@H](CO)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908201073 656210583 /nfs/dbraw/zinc/21/05/83/656210583.db2.gz NTZFMKVFXKKFIA-AAEUAGOBSA-N 1 3 273.377 -1.128 20 0 CAADHO CN(C)C[C@@H](CO)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908201073 656210584 /nfs/dbraw/zinc/21/05/84/656210584.db2.gz NTZFMKVFXKKFIA-AAEUAGOBSA-N 1 3 273.377 -1.128 20 0 CAADHO CN(CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000911054342 656232696 /nfs/dbraw/zinc/23/26/96/656232696.db2.gz VMIPJPQZRNLNCN-AWEZNQCLSA-N 1 3 298.387 -1.491 20 0 CAADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911071665 656233424 /nfs/dbraw/zinc/23/34/24/656233424.db2.gz CEFVTZVCEQFWGO-LBPRGKRZSA-N 1 3 299.419 -1.536 20 0 CAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000911147838 656235153 /nfs/dbraw/zinc/23/51/53/656235153.db2.gz KKGMMMGMXZCPCE-WDEREUQCSA-N 1 3 296.371 -1.427 20 0 CAADHO CC1(C)CCN(CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000911265478 656239990 /nfs/dbraw/zinc/23/99/90/656239990.db2.gz BXFZAODCNVWXKS-UHFFFAOYSA-N 1 3 256.350 -1.091 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911502731 656248894 /nfs/dbraw/zinc/24/88/94/656248894.db2.gz HWSUUDUFINJPJT-UHFFFAOYSA-N 1 3 286.376 -1.370 20 0 CAADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170916 656273137 /nfs/dbraw/zinc/27/31/37/656273137.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170916 656273142 /nfs/dbraw/zinc/27/31/42/656273142.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170915 656273433 /nfs/dbraw/zinc/27/34/33/656273433.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170915 656273434 /nfs/dbraw/zinc/27/34/34/656273434.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 1 3 271.361 -1.376 20 0 CAADHO C[NH2+]CCCN(C)S(=O)(=O)N1CCNCC1 ZINC000087471939 656315561 /nfs/dbraw/zinc/31/55/61/656315561.db2.gz IQSGSDDYNXRXNY-UHFFFAOYSA-N 1 3 250.368 -1.322 20 0 CAADHO CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000227389665 656309874 /nfs/dbraw/zinc/30/98/74/656309874.db2.gz LBURPIIUMLWYOC-MXWKQRLJSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000923568170 656806933 /nfs/dbraw/zinc/80/69/33/656806933.db2.gz FNUAUSOYEQDNFK-ZJUUUORDSA-N 1 3 262.379 -1.195 20 0 CAADHO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000923566232 656807156 /nfs/dbraw/zinc/80/71/56/656807156.db2.gz JIUQSUNMHCIWKO-SNVBAGLBSA-N 1 3 262.379 -1.274 20 0 CAADHO [NH3+]C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923564649 656807416 /nfs/dbraw/zinc/80/74/16/656807416.db2.gz AWUFHKGAUUQYMP-JTQLQIEISA-N 1 3 262.379 -1.193 20 0 CAADHO C[NH2+][C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923636498 656811671 /nfs/dbraw/zinc/81/16/71/656811671.db2.gz MJCKOKFUIUVYGT-SNVBAGLBSA-N 1 3 262.379 -1.180 20 0 CAADHO CC[NH2+][C@H](C)CNS(=O)(=O)N1CCNCC1 ZINC000923637364 656811679 /nfs/dbraw/zinc/81/16/79/656811679.db2.gz WZCDQXOKVOLZQQ-SECBINFHSA-N 1 3 250.368 -1.276 20 0 CAADHO OCCN(CCN1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923323262 656802878 /nfs/dbraw/zinc/80/28/78/656802878.db2.gz WMFSTNHSRVWTAP-AWEZNQCLSA-N 1 3 299.415 -1.009 20 0 CAADHO CN(CCN1C(=O)CN(C)C1=O)CCN1CC[NH2+]CC1 ZINC000923285995 656803037 /nfs/dbraw/zinc/80/30/37/656803037.db2.gz KQPNFHXLFMEALF-UHFFFAOYSA-N 1 3 283.376 -1.283 20 0 CAADHO CN(CCOCC[NH3+])CCN1C(=O)CN(C)C1=O ZINC000923404288 656804207 /nfs/dbraw/zinc/80/42/07/656804207.db2.gz YKDATWKTYFNQOU-UHFFFAOYSA-N 1 3 258.322 -1.213 20 0 CAADHO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923643935 656812215 /nfs/dbraw/zinc/81/22/15/656812215.db2.gz FAXVKACJBNYXLY-VHSXEESVSA-N 1 3 262.379 -1.147 20 0 CAADHO COC(=O)CN(C)C(=O)CCN1CCNCC[NH2+]CC1 ZINC000923459674 656804854 /nfs/dbraw/zinc/80/48/54/656804854.db2.gz LALGYONXCFSTNY-UHFFFAOYSA-N 1 3 286.376 -1.497 20 0 CAADHO O=S1(=O)NC[C@H]2CN(CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549205 656805653 /nfs/dbraw/zinc/80/56/53/656805653.db2.gz GHBRPDRTOUKBQU-MNOVXSKESA-N 1 3 274.390 -1.180 20 0 CAADHO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923571201 656806846 /nfs/dbraw/zinc/80/68/46/656806846.db2.gz AMNGMOONBWXCHZ-VHSXEESVSA-N 1 3 262.379 -1.147 20 0 CAADHO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)N1CCNCC1 ZINC000923568576 656806890 /nfs/dbraw/zinc/80/68/90/656806890.db2.gz GAVLBLCTNLIQOL-JTQLQIEISA-N 1 3 262.379 -1.274 20 0 CAADHO O=S(=O)(NCCN1CC[NH2+]CC1)N1CCNCC1 ZINC000923568260 656806973 /nfs/dbraw/zinc/80/69/73/656806973.db2.gz ZVKFCLZXPWHLRJ-UHFFFAOYSA-N 1 3 277.394 -2.369 20 0 CAADHO O=S(=O)(NCCCN1CC[NH2+]CC1)N1CCNCC1 ZINC000923563456 656807048 /nfs/dbraw/zinc/80/70/48/656807048.db2.gz MTRMVIFYTWWJHY-UHFFFAOYSA-N 1 3 291.421 -1.979 20 0 CAADHO O=S(=O)(NC[C@H]1CCCC[NH2+]1)N1CCNCC1 ZINC000923566452 656807096 /nfs/dbraw/zinc/80/70/96/656807096.db2.gz NLCSNRWUBICQNZ-SNVBAGLBSA-N 1 3 262.379 -1.132 20 0 CAADHO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923571199 656807391 /nfs/dbraw/zinc/80/73/91/656807391.db2.gz AMNGMOONBWXCHZ-UWVGGRQHSA-N 1 3 262.379 -1.147 20 0 CAADHO O=S(=O)(NC[C@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000923566231 656807398 /nfs/dbraw/zinc/80/73/98/656807398.db2.gz JIUQSUNMHCIWKO-JTQLQIEISA-N 1 3 262.379 -1.274 20 0 CAADHO CN(CCN1CC[NH2+]CC1)S(=O)(=O)N1CCNCC1 ZINC000923567618 656807439 /nfs/dbraw/zinc/80/74/39/656807439.db2.gz BVCGFHTUJIMDOB-UHFFFAOYSA-N 1 3 291.421 -2.027 20 0 CAADHO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923611773 656809820 /nfs/dbraw/zinc/80/98/20/656809820.db2.gz JILQMCVUQGJPNI-SECBINFHSA-N 1 3 263.363 -1.450 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923637632 656811534 /nfs/dbraw/zinc/81/15/34/656811534.db2.gz RMIIOINGRJTAJK-VHSXEESVSA-N 1 3 262.379 -1.195 20 0 CAADHO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923635735 656811582 /nfs/dbraw/zinc/81/15/82/656811582.db2.gz PKBQPPHWXWPIGX-UWVGGRQHSA-N 1 3 262.379 -1.004 20 0 CAADHO CC1(NS(=O)(=O)N2CCNCC2)CC[NH2+]CC1 ZINC000923641137 656811596 /nfs/dbraw/zinc/81/15/96/656811596.db2.gz KCPCNCJZHYNBCQ-UHFFFAOYSA-N 1 3 262.379 -1.132 20 0 CAADHO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923637630 656811786 /nfs/dbraw/zinc/81/17/86/656811786.db2.gz RMIIOINGRJTAJK-UWVGGRQHSA-N 1 3 262.379 -1.195 20 0 CAADHO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639340 656811992 /nfs/dbraw/zinc/81/19/92/656811992.db2.gz LGYIOPPQTNMBJK-UWVGGRQHSA-N 1 3 262.379 -1.134 20 0 CAADHO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)N1CCNCC1 ZINC000923640232 656812000 /nfs/dbraw/zinc/81/20/00/656812000.db2.gz JBEGQFMQDXBKKX-SNVBAGLBSA-N 1 3 262.379 -1.195 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640348 656812024 /nfs/dbraw/zinc/81/20/24/656812024.db2.gz XPBUJSSQXLJGQV-ZJUUUORDSA-N 1 3 262.379 -1.276 20 0 CAADHO CCO[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1C[NH3+] ZINC000923651554 656812290 /nfs/dbraw/zinc/81/22/90/656812290.db2.gz HEERUSQUECGEGH-PSASIEDQSA-N 1 3 263.363 -1.416 20 0 CAADHO CCO[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923651935 656812484 /nfs/dbraw/zinc/81/24/84/656812484.db2.gz JAKDCPFGMUWPNU-GHMZBOCLSA-N 1 3 292.405 -1.568 20 0 CAADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)CCCO1 ZINC000923648148 656812560 /nfs/dbraw/zinc/81/25/60/656812560.db2.gz QVHYMEFLBJIXLS-JTQLQIEISA-N 1 3 278.378 -1.814 20 0 CAADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923643934 656812608 /nfs/dbraw/zinc/81/26/08/656812608.db2.gz FAXVKACJBNYXLY-UWVGGRQHSA-N 1 3 262.379 -1.147 20 0 CAADHO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923650944 656812747 /nfs/dbraw/zinc/81/27/47/656812747.db2.gz SCKFKCITZYGDHO-DTWKUNHWSA-N 1 3 250.368 -1.148 20 0 CAADHO CO[C@H]1CN(S(=O)(=O)N2CCNCC2)[C@](C)(C[NH3+])C1 ZINC000923661270 656813086 /nfs/dbraw/zinc/81/30/86/656813086.db2.gz CTNODHAZCSFDCI-MNOVXSKESA-N 1 3 292.405 -1.426 20 0 CAADHO C[C@@H]1CC[C@H](NS(=O)(=O)N2CCNCC2)C[NH2+]1 ZINC000923661653 656813126 /nfs/dbraw/zinc/81/31/26/656813126.db2.gz HIMMTPGPZHMCPS-ZJUUUORDSA-N 1 3 262.379 -1.134 20 0 CAADHO CO[C@@H]1CN(S(=O)(=O)N2CCNCC2)[C@](C)(C[NH3+])C1 ZINC000923661271 656813377 /nfs/dbraw/zinc/81/33/77/656813377.db2.gz CTNODHAZCSFDCI-QWRGUYRKSA-N 1 3 292.405 -1.426 20 0 CAADHO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923656908 656813274 /nfs/dbraw/zinc/81/32/74/656813274.db2.gz VYSSOZQKZYZGBB-VIFPVBQESA-N 1 3 262.379 -1.134 20 0 CAADHO CN(CCC[NH+](C)C)CCNS(=O)(=O)C1CNC1 ZINC000923657297 656813595 /nfs/dbraw/zinc/81/35/95/656813595.db2.gz OTZMJSRNDHYXJE-UHFFFAOYSA-N 1 3 278.422 -1.239 20 0 CAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1C[NH3+] ZINC000923667053 656813715 /nfs/dbraw/zinc/81/37/15/656813715.db2.gz RGJKCGJXYYYRSC-ZJUUUORDSA-N 1 3 262.379 -1.337 20 0 CAADHO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923670714 656814142 /nfs/dbraw/zinc/81/41/42/656814142.db2.gz KQQJSDRPNVXZLV-WDEREUQCSA-N 1 3 274.390 -1.322 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)N1CCNCC1 ZINC000923673024 656814204 /nfs/dbraw/zinc/81/42/04/656814204.db2.gz GYDXRXMXCUJHTL-GHMZBOCLSA-N 1 3 276.406 -1.028 20 0 CAADHO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1 ZINC000923672774 656814253 /nfs/dbraw/zinc/81/42/53/656814253.db2.gz UMTYZGMKZAGKDJ-UHFFFAOYSA-N 1 3 290.311 -1.041 20 0 CAADHO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)N1CCNCC1 ZINC000923674623 656814361 /nfs/dbraw/zinc/81/43/61/656814361.db2.gz SCEYKOBXVMUKGS-VIFPVBQESA-N 1 3 298.359 -1.029 20 0 CAADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001019574619 657273076 /nfs/dbraw/zinc/27/30/76/657273076.db2.gz LNTANVWOHBBQGI-NSHDSACASA-N 1 3 298.387 -1.227 20 0 CAADHO NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659940 657275301 /nfs/dbraw/zinc/27/53/01/657275301.db2.gz TZSXAAFOECKFFT-JTQLQIEISA-N 1 3 266.345 -1.242 20 0 CAADHO [NH3+][C@@H]1CC[C@H](CN2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000903456343 782532382 /nfs/dbraw/zinc/53/23/82/782532382.db2.gz HAFNSSYGDMUGSO-HBNTYKKESA-N 1 3 266.345 -1.244 20 0 CAADHO CNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492340 782534402 /nfs/dbraw/zinc/53/44/02/782534402.db2.gz AZIVSDZPIIGSOA-SBMIAAHKSA-N 1 3 255.318 -1.055 20 0 CAADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001133285708 776773619 /nfs/dbraw/zinc/77/36/19/776773619.db2.gz DUTCGBPPTZUIAE-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291719 776773760 /nfs/dbraw/zinc/77/37/60/776773760.db2.gz XKWYXCSCYZTQFI-VIFPVBQESA-N 1 3 287.364 -1.512 20 0 CAADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001133291741 776774228 /nfs/dbraw/zinc/77/42/28/776774228.db2.gz YDXINEVEJNJGPJ-MRVPVSSYSA-N 1 3 273.337 -1.773 20 0 CAADHO C[NH+]1CCC(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001133287683 776774251 /nfs/dbraw/zinc/77/42/51/776774251.db2.gz LZBJVEKBWLZMMV-NSHDSACASA-N 1 3 296.371 -1.161 20 0 CAADHO C[NH+]1CCC(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001133287681 776774289 /nfs/dbraw/zinc/77/42/89/776774289.db2.gz LZBJVEKBWLZMMV-LLVKDONJSA-N 1 3 296.371 -1.161 20 0 CAADHO C[NH+]1CCC(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001133286996 776774314 /nfs/dbraw/zinc/77/43/14/776774314.db2.gz BIKAXDFVADHBGX-NSHDSACASA-N 1 3 268.361 -1.078 20 0 CAADHO CN1CCN(C)[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120595743 779642873 /nfs/dbraw/zinc/64/28/73/779642873.db2.gz IZLWGDYVWYASFE-CYBMUJFWSA-N 1 3 298.435 -1.563 20 0 CAADHO [NH3+]CCNCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122535658 779671877 /nfs/dbraw/zinc/67/18/77/779671877.db2.gz DSXULQIVFDNFBB-NWDGAFQWSA-N 1 3 270.377 -1.408 20 0 CAADHO [NH3+]CCNCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122535662 779672288 /nfs/dbraw/zinc/67/22/88/779672288.db2.gz DSXULQIVFDNFBB-VXGBXAGGSA-N 1 3 270.377 -1.408 20 0 CAADHO COC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220576058 780364841 /nfs/dbraw/zinc/36/48/41/780364841.db2.gz RAWKDWVGRHVUMG-ZETCQYMHSA-N 1 3 260.294 -2.542 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001118574671 779577604 /nfs/dbraw/zinc/57/76/04/779577604.db2.gz WHBZMCDCHTZLIB-VROVMSAKSA-N 1 3 263.301 -1.278 20 0 CAADHO NCCS(=O)(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001239005802 780527038 /nfs/dbraw/zinc/52/70/38/780527038.db2.gz ROVGDMJMTPCJHU-SECBINFHSA-N 1 3 262.335 -2.561 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC001239010659 780527336 /nfs/dbraw/zinc/52/73/36/780527336.db2.gz XZSNIJAPFUMXIS-UHFFFAOYSA-N 1 3 289.401 -1.010 20 0 CAADHO NCCS(=O)(=O)N1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001239006621 780527514 /nfs/dbraw/zinc/52/75/14/780527514.db2.gz XKAKSOZVDPPOPN-JTQLQIEISA-N 1 3 263.363 -1.271 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CCN)C1 ZINC001239088872 780530181 /nfs/dbraw/zinc/53/01/81/780530181.db2.gz NAFYSQNKDITCPZ-HTQZYQBOSA-N 1 3 265.335 -1.903 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C[C@H]1N ZINC001239136364 780533185 /nfs/dbraw/zinc/53/31/85/780533185.db2.gz RMZDOJGGRKIGPG-IWSPIJDZSA-N 1 3 277.346 -1.890 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C[C@@H]1N ZINC001239136366 780533200 /nfs/dbraw/zinc/53/32/00/780533200.db2.gz RMZDOJGGRKIGPG-YIZRAAEISA-N 1 3 277.346 -1.890 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1N ZINC001239135207 780533503 /nfs/dbraw/zinc/53/35/03/780533503.db2.gz MUSPGRFIYGWWRG-NXEZZACHSA-N 1 3 291.373 -1.500 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1N ZINC001239136362 780533564 /nfs/dbraw/zinc/53/35/64/780533564.db2.gz RMZDOJGGRKIGPG-HLTSFMKQSA-N 1 3 277.346 -1.890 20 0 CAADHO COC(=O)[C@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626730 780558672 /nfs/dbraw/zinc/55/86/72/780558672.db2.gz UYFVMMFZPMPETP-GHMZBOCLSA-N 1 3 268.361 -1.473 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599079 780558877 /nfs/dbraw/zinc/55/88/77/780558877.db2.gz CESDRXIMNKHQSR-VXGBXAGGSA-N 1 3 282.388 -1.083 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001221188494 780405863 /nfs/dbraw/zinc/40/58/63/780405863.db2.gz WUVZIRZJNYDVEK-OCCIGCLGSA-N 1 3 293.389 -1.521 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CC[S@](C)=O ZINC001221188499 780406169 /nfs/dbraw/zinc/40/61/69/780406169.db2.gz WUVZIRZJNYDVEK-OWXODZSWSA-N 1 3 293.389 -1.521 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269038 780412877 /nfs/dbraw/zinc/41/28/77/780412877.db2.gz GUOWVLWKSCUZJU-BDAKNGLRSA-N 1 3 274.390 -1.210 20 0 CAADHO COC(=O)C1(CNS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238107345 780512587 /nfs/dbraw/zinc/51/25/87/780512587.db2.gz FTBLWNSFIMQUKA-UHFFFAOYSA-N 1 3 279.362 -1.593 20 0 CAADHO NCCS(=O)(=O)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001238089245 780512976 /nfs/dbraw/zinc/51/29/76/780512976.db2.gz DXKOUWWFHLFCMV-SECBINFHSA-N 1 3 251.352 -1.631 20 0 CAADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1F)[C@H]1CC[NH2+]C1 ZINC001238058027 780513071 /nfs/dbraw/zinc/51/30/71/780513071.db2.gz YZNBRWSSNXRVOH-DJLDLDEBSA-N 1 3 251.327 -1.032 20 0 CAADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238058034 780513275 /nfs/dbraw/zinc/51/32/75/780513275.db2.gz YZNBRWSSNXRVOH-IWSPIJDZSA-N 1 3 251.327 -1.032 20 0 CAADHO O=S(=O)([N-][C@H]1CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238087932 780513419 /nfs/dbraw/zinc/51/34/19/780513419.db2.gz YZNBRWSSNXRVOH-VGMNWLOBSA-N 1 3 251.327 -1.032 20 0 CAADHO NCCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001238291738 780515622 /nfs/dbraw/zinc/51/56/22/780515622.db2.gz GFAFEYKLDAEVGG-VIFPVBQESA-N 1 3 263.363 -1.224 20 0 CAADHO CC(C)N1CCN(CCNS(=O)(=O)CC[NH3+])CC1 ZINC001238523083 780518716 /nfs/dbraw/zinc/51/87/16/780518716.db2.gz IIFSBTXNLYYQCO-UHFFFAOYSA-N 1 3 278.422 -1.110 20 0 CAADHO CO[C@H]1C[NH2+]C[C@@H]1[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238524557 780519007 /nfs/dbraw/zinc/51/90/07/780519007.db2.gz CNHXNOZDJDTORQ-QWRGUYRKSA-N 1 3 277.390 -1.108 20 0 CAADHO NCCS(=O)(=O)NC[C@H](O)C1CC[NH2+]CC1 ZINC001238514661 780519371 /nfs/dbraw/zinc/51/93/71/780519371.db2.gz YZIBFKJYLXGTFQ-VIFPVBQESA-N 1 3 251.352 -1.775 20 0 CAADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[N-]S(=O)(=O)CC[NH3+] ZINC001238657635 780521766 /nfs/dbraw/zinc/52/17/66/780521766.db2.gz XZNBGZWKRJJNOH-HTQZYQBOSA-N 1 3 265.335 -1.984 20 0 CAADHO NC(=O)[C@@H](N)CCCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238839405 780524544 /nfs/dbraw/zinc/52/45/44/780524544.db2.gz REGFVUGYORXKIE-IUCAKERBSA-N 1 3 278.378 -1.749 20 0 CAADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC001238897393 780525062 /nfs/dbraw/zinc/52/50/62/780525062.db2.gz KDTUWCFSPSEDHG-YUMQZZPRSA-N 1 3 265.335 -1.984 20 0 CAADHO CCN(CC)CC(=O)N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001263099415 780720028 /nfs/dbraw/zinc/72/00/28/780720028.db2.gz KDWDXJGEGQRPDV-UHFFFAOYSA-N 1 3 299.419 -1.453 20 0 CAADHO CCN1CCN(CCCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263103047 780720048 /nfs/dbraw/zinc/72/00/48/780720048.db2.gz MJTLZIOPIJXMKG-GFCCVEGCSA-N 1 3 272.393 -1.160 20 0 CAADHO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001279838260 780778154 /nfs/dbraw/zinc/77/81/54/780778154.db2.gz JHNIJZBWVUCBDU-SNVBAGLBSA-N 1 3 270.333 -1.257 20 0 CAADHO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)CN1CCCC1 ZINC001276386936 782790824 /nfs/dbraw/zinc/79/08/24/782790824.db2.gz SWVBPKCFRLWPDE-UHFFFAOYSA-N 1 3 299.375 -1.285 20 0 CAADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099988256 782847348 /nfs/dbraw/zinc/84/73/48/782847348.db2.gz FVWGTARKHQXXAQ-VXGBXAGGSA-N 1 3 273.377 -1.128 20 0 CAADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099988255 782847045 /nfs/dbraw/zinc/84/70/45/782847045.db2.gz FVWGTARKHQXXAQ-RYUDHWBXSA-N 1 3 273.377 -1.128 20 0 CAADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046369 782886146 /nfs/dbraw/zinc/88/61/46/782886146.db2.gz GHQINSOVTZVGJQ-ZIAGYGMSSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C)CC1 ZINC001116046369 782886152 /nfs/dbraw/zinc/88/61/52/782886152.db2.gz GHQINSOVTZVGJQ-ZIAGYGMSSA-N 1 3 297.447 -1.016 20 0 CAADHO CCN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161332798 775159607 /nfs/dbraw/zinc/15/96/07/775159607.db2.gz PHIKGPBZCALVOM-NEPJUHHUSA-N 1 3 282.388 -1.083 20 0 CAADHO CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071492 775198737 /nfs/dbraw/zinc/19/87/37/775198737.db2.gz HOGAZUZXIVSVCJ-JTQLQIEISA-N 1 3 256.350 -1.268 20 0 CAADHO CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267071492 775198740 /nfs/dbraw/zinc/19/87/40/775198740.db2.gz HOGAZUZXIVSVCJ-JTQLQIEISA-N 1 3 256.350 -1.268 20 0 CAADHO CN(CCNCC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001266827302 775175426 /nfs/dbraw/zinc/17/54/26/775175426.db2.gz RGPYQPSQJBYACK-UHFFFAOYSA-N 1 3 256.350 -1.139 20 0 CAADHO CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071494 775198394 /nfs/dbraw/zinc/19/83/94/775198394.db2.gz HOGAZUZXIVSVCJ-SNVBAGLBSA-N 1 3 256.350 -1.268 20 0 CAADHO CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267071494 775198402 /nfs/dbraw/zinc/19/84/02/775198402.db2.gz HOGAZUZXIVSVCJ-SNVBAGLBSA-N 1 3 256.350 -1.268 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(N)=O)CC[N@@H+]1C ZINC001267374611 775235924 /nfs/dbraw/zinc/23/59/24/775235924.db2.gz HDDPWPRXRXSSOD-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(N)=O)CC[N@H+]1C ZINC001267374611 775235934 /nfs/dbraw/zinc/23/59/34/775235934.db2.gz HDDPWPRXRXSSOD-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C=CC(=O)NCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220394515 775297093 /nfs/dbraw/zinc/29/70/93/775297093.db2.gz JPRQHHYRPSHAPX-VIFPVBQESA-N 1 3 252.318 -1.786 20 0 CAADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001220884671 775299746 /nfs/dbraw/zinc/29/97/46/775299746.db2.gz KMAVKUQSVCFLKU-NXEZZACHSA-N 1 3 254.334 -1.815 20 0 CAADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001220884672 775299783 /nfs/dbraw/zinc/29/97/83/775299783.db2.gz 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CN1CC2(C1)CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C2 ZINC001161531871 775357449 /nfs/dbraw/zinc/35/74/49/775357449.db2.gz KZIURHCAYNJDBS-GFCCVEGCSA-N 1 3 281.404 -1.489 20 0 CAADHO CN1CC2(C1)CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C2 ZINC001161531874 775357629 /nfs/dbraw/zinc/35/76/29/775357629.db2.gz KZIURHCAYNJDBS-LBPRGKRZSA-N 1 3 281.404 -1.489 20 0 CAADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCO)N1CCCC1 ZINC001268316150 775400138 /nfs/dbraw/zinc/40/01/38/775400138.db2.gz IDFVVBZAWGRRDZ-LLVKDONJSA-N 1 3 273.377 -1.080 20 0 CAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCO)CCC1 ZINC001272434202 775911276 /nfs/dbraw/zinc/91/12/76/775911276.db2.gz BSAUFLKWKFQJRY-JTQLQIEISA-N 1 3 259.350 -1.470 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466504 775985544 /nfs/dbraw/zinc/98/55/44/775985544.db2.gz QHPOULOXNOWPEG-MWLCHTKSSA-N 1 3 268.361 -1.092 20 0 CAADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475102 775986388 /nfs/dbraw/zinc/98/63/88/775986388.db2.gz 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CN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779580 776041872 /nfs/dbraw/zinc/04/18/72/776041872.db2.gz OHBYDTDWVCGDRA-VXGBXAGGSA-N 1 3 298.387 -1.356 20 0 CAADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001128774912 776212347 /nfs/dbraw/zinc/21/23/47/776212347.db2.gz ZAPNPUHOLHHXDL-SNVBAGLBSA-N 1 3 299.375 -1.239 20 0 CAADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001128774912 776212353 /nfs/dbraw/zinc/21/23/53/776212353.db2.gz ZAPNPUHOLHHXDL-SNVBAGLBSA-N 1 3 299.375 -1.239 20 0 CAADHO COCC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118482617 776320816 /nfs/dbraw/zinc/32/08/16/776320816.db2.gz POSWNIRZOFBQAN-UHFFFAOYSA-N 1 3 298.347 -1.324 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118486189 776322345 /nfs/dbraw/zinc/32/23/45/776322345.db2.gz LFVSSVPYPSEVHU-PWSUYJOCSA-N 1 3 298.387 -1.181 20 0 CAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082919872 776425008 /nfs/dbraw/zinc/42/50/08/776425008.db2.gz IPASKLLVXPMBLF-GMTAPVOTSA-N 1 3 268.361 -1.140 20 0 CAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(N)=O ZINC001082919872 776425011 /nfs/dbraw/zinc/42/50/11/776425011.db2.gz IPASKLLVXPMBLF-GMTAPVOTSA-N 1 3 268.361 -1.140 20 0 CAADHO CO[C@@H](CN)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001119296740 776428410 /nfs/dbraw/zinc/42/84/10/776428410.db2.gz BLYCDSGVAMKRKX-NSHDSACASA-N 1 3 259.350 -1.077 20 0 CAADHO C[C@]1(C[NH3+])CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000827177480 776484179 /nfs/dbraw/zinc/48/41/79/776484179.db2.gz VQVSHUDYGSZQGG-SNVBAGLBSA-N 1 3 262.379 -1.193 20 0 CAADHO C[C@@]1(C[NH3+])CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000827177472 776484212 /nfs/dbraw/zinc/48/42/12/776484212.db2.gz VQVSHUDYGSZQGG-JTQLQIEISA-N 1 3 262.379 -1.193 20 0 CAADHO NCc1cnnn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001169303743 776524728 /nfs/dbraw/zinc/52/47/28/776524728.db2.gz GCPLNJUFUPVSMM-UHFFFAOYSA-N 1 3 260.305 -1.074 20 0 CAADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001129358545 776540638 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O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729672 776600365 /nfs/dbraw/zinc/60/03/65/776600365.db2.gz GIFFMGDNUKHKLI-MXWKQRLJSA-N 1 3 271.336 -1.026 20 0 CAADHO C[C@@H]1CCN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001157799016 776613819 /nfs/dbraw/zinc/61/38/19/776613819.db2.gz JDIIUKCAHOUOKQ-UTLUCORTSA-N 1 3 271.365 -1.042 20 0 CAADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001129448623 776620657 /nfs/dbraw/zinc/62/06/57/776620657.db2.gz DDCVMGATUJRWQV-SCZZXKLOSA-N 1 3 299.375 -1.384 20 0 CAADHO CN(CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531580 776620686 /nfs/dbraw/zinc/62/06/86/776620686.db2.gz AELVCHMNEQPDPF-LLVKDONJSA-N 1 3 296.371 -1.018 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435554 776620775 /nfs/dbraw/zinc/62/07/75/776620775.db2.gz HIRBJEMDNYKMGJ-NSHDSACASA-N 1 3 299.375 -1.512 20 0 CAADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435786 776621433 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N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934612 776648132 /nfs/dbraw/zinc/64/81/32/776648132.db2.gz MPSXVPODBGRXDM-KXUCPTDWSA-N 1 3 277.390 -1.793 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935352 776648840 /nfs/dbraw/zinc/64/88/40/776648840.db2.gz ULGWPPMVGMUZLT-VWYCJHECSA-N 1 3 269.345 -2.003 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935351 776648901 /nfs/dbraw/zinc/64/89/01/776648901.db2.gz ULGWPPMVGMUZLT-OUAUKWLOSA-N 1 3 269.345 -2.003 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@H]1O ZINC001157944213 776650268 /nfs/dbraw/zinc/65/02/68/776650268.db2.gz IQKGXSDTQZECMN-YRGRVCCFSA-N 1 3 285.388 -1.095 20 0 CAADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001130419151 776656227 /nfs/dbraw/zinc/65/62/27/776656227.db2.gz MWZDUAGDJQOLJT-UHFFFAOYSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001130419151 776656234 /nfs/dbraw/zinc/65/62/34/776656234.db2.gz MWZDUAGDJQOLJT-UHFFFAOYSA-N 1 3 287.364 -1.383 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519941 776693397 /nfs/dbraw/zinc/69/33/97/776693397.db2.gz OOUHAHVPMSFOKV-CVZZAPKMSA-N 1 3 296.371 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519941 776693402 /nfs/dbraw/zinc/69/34/02/776693402.db2.gz OOUHAHVPMSFOKV-CVZZAPKMSA-N 1 3 296.371 -1.699 20 0 CAADHO O=C(NCC[NH2+]CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522199 776693416 /nfs/dbraw/zinc/69/34/16/776693416.db2.gz WLFSODSZBKKCPY-QWKFWESOSA-N 1 3 269.345 -1.452 20 0 CAADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520290 776693493 /nfs/dbraw/zinc/69/34/93/776693493.db2.gz WXKAXKOPKSHSJB-MMIJRFEOSA-N 1 3 296.371 -1.571 20 0 CAADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520290 776693500 /nfs/dbraw/zinc/69/35/00/776693500.db2.gz WXKAXKOPKSHSJB-MMIJRFEOSA-N 1 3 296.371 -1.571 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519942 776693516 /nfs/dbraw/zinc/69/35/16/776693516.db2.gz OOUHAHVPMSFOKV-IQLKVPPVSA-N 1 3 296.371 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519942 776693521 /nfs/dbraw/zinc/69/35/21/776693521.db2.gz OOUHAHVPMSFOKV-IQLKVPPVSA-N 1 3 296.371 -1.699 20 0 CAADHO O=C(NCC[NH2+]CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521779 776693699 /nfs/dbraw/zinc/69/36/99/776693699.db2.gz HIRBXGGJCDBURR-MBHSVXNSSA-N 1 3 283.372 -1.062 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520289 776693999 /nfs/dbraw/zinc/69/39/99/776693999.db2.gz WXKAXKOPKSHSJB-ICYKSAPQSA-N 1 3 296.371 -1.571 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520289 776694002 /nfs/dbraw/zinc/69/40/02/776694002.db2.gz WXKAXKOPKSHSJB-ICYKSAPQSA-N 1 3 296.371 -1.571 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422821 776695204 /nfs/dbraw/zinc/69/52/04/776695204.db2.gz LVSMUVOJGPIZQS-OUAUKWLOSA-N 1 3 266.345 -1.720 20 0 CAADHO CNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993498 776755705 /nfs/dbraw/zinc/75/57/05/776755705.db2.gz WYUXLMZWLVRHFU-UHFFFAOYSA-N 1 3 256.350 -1.220 20 0 CAADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001132993061 776755811 /nfs/dbraw/zinc/75/58/11/776755811.db2.gz LVNOKUSDWWMKHG-UHFFFAOYSA-N 1 3 285.348 -1.771 20 0 CAADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001132995195 776756151 /nfs/dbraw/zinc/75/61/51/776756151.db2.gz NMCGVPQVTYRPFM-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+](C)CCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001133043036 776757718 /nfs/dbraw/zinc/75/77/18/776757718.db2.gz PPPNLOIUFRSCQE-JTQLQIEISA-N 1 3 284.360 -1.161 20 0 CAADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001133051231 776757798 /nfs/dbraw/zinc/75/77/98/776757798.db2.gz BJBAKVRRZREEPQ-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040257 776757975 /nfs/dbraw/zinc/75/79/75/776757975.db2.gz IEZQBUSXKTWASI-UHFFFAOYSA-N 1 3 287.364 -1.510 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823349 776789302 /nfs/dbraw/zinc/78/93/02/776789302.db2.gz CQSUNIMKKUCWIE-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823349 776789310 /nfs/dbraw/zinc/78/93/10/776789310.db2.gz CQSUNIMKKUCWIE-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO C[C@H]1CC[N@H+](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133845759 776788836 /nfs/dbraw/zinc/78/88/36/776788836.db2.gz MRNJEJOGSDMTIL-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H]1CC[N@@H+](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133845759 776788839 /nfs/dbraw/zinc/78/88/39/776788839.db2.gz MRNJEJOGSDMTIL-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133819593 776789175 /nfs/dbraw/zinc/78/91/75/776789175.db2.gz IFEZWCURUOTYTC-VIFPVBQESA-N 1 3 285.348 -1.629 20 0 CAADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133819593 776789182 /nfs/dbraw/zinc/78/91/82/776789182.db2.gz IFEZWCURUOTYTC-VIFPVBQESA-N 1 3 285.348 -1.629 20 0 CAADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846265 776789339 /nfs/dbraw/zinc/78/93/39/776789339.db2.gz XNQNQOHGMQEBNC-MNOVXSKESA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819878 776789475 /nfs/dbraw/zinc/78/94/75/776789475.db2.gz QCAQUTCPQQSJQC-QWRGUYRKSA-N 1 3 296.371 -1.018 20 0 CAADHO C[C@H]1CC[N@H+](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133845758 776790294 /nfs/dbraw/zinc/79/02/94/776790294.db2.gz MRNJEJOGSDMTIL-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H]1CC[N@@H+](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133845758 776790301 /nfs/dbraw/zinc/79/03/01/776790301.db2.gz MRNJEJOGSDMTIL-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863092 776790447 /nfs/dbraw/zinc/79/04/47/776790447.db2.gz JREJEFHHEIHQJF-ZJUUUORDSA-N 1 3 256.350 -1.364 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863092 776790451 /nfs/dbraw/zinc/79/04/51/776790451.db2.gz JREJEFHHEIHQJF-ZJUUUORDSA-N 1 3 256.350 -1.364 20 0 CAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863548 776790613 /nfs/dbraw/zinc/79/06/13/776790613.db2.gz NWAKOMWBLQPVDV-WDEREUQCSA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863548 776790616 /nfs/dbraw/zinc/79/06/16/776790616.db2.gz NWAKOMWBLQPVDV-WDEREUQCSA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819876 776790654 /nfs/dbraw/zinc/79/06/54/776790654.db2.gz QCAQUTCPQQSJQC-GHMZBOCLSA-N 1 3 296.371 -1.018 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869835 776792014 /nfs/dbraw/zinc/79/20/14/776792014.db2.gz MHUHXPBCQMNWQT-VHSXEESVSA-N 1 3 299.375 -1.655 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869835 776792019 /nfs/dbraw/zinc/79/20/19/776792019.db2.gz MHUHXPBCQMNWQT-VHSXEESVSA-N 1 3 299.375 -1.655 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869833 776792744 /nfs/dbraw/zinc/79/27/44/776792744.db2.gz MHUHXPBCQMNWQT-NXEZZACHSA-N 1 3 299.375 -1.655 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869833 776792752 /nfs/dbraw/zinc/79/27/52/776792752.db2.gz MHUHXPBCQMNWQT-NXEZZACHSA-N 1 3 299.375 -1.655 20 0 CAADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001133963413 776798189 /nfs/dbraw/zinc/79/81/89/776798189.db2.gz UMRQCCIULYADFQ-UWVGGRQHSA-N 1 3 284.360 -1.162 20 0 CAADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)N(C)C ZINC001284444102 777942289 /nfs/dbraw/zinc/94/22/89/777942289.db2.gz HZHYAOJRUPCORZ-VXGBXAGGSA-N 1 3 275.393 -1.026 20 0 CAADHO Cn1cc(CN2CC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178679 779550912 /nfs/dbraw/zinc/55/09/12/779550912.db2.gz FDAGNIRRPOZAEY-SECBINFHSA-N 1 3 252.318 -1.135 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118486477 779570795 /nfs/dbraw/zinc/57/07/95/779570795.db2.gz NIZVVACVXVPBBB-LBPRGKRZSA-N 1 3 296.371 -1.556 20 0 CAADHO O=C(NC[C@@H]1COCCN1)N1CCNCC[NH2+]CC1 ZINC001120551647 779641536 /nfs/dbraw/zinc/64/15/36/779641536.db2.gz YKMDXDMXFGITFS-LLVKDONJSA-N 1 3 271.365 -1.821 20 0 CAADHO CN1CCNC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001121943645 779653854 /nfs/dbraw/zinc/65/38/54/779653854.db2.gz LPXMUHMZZGGILJ-SFYZADRCSA-N 1 3 250.293 -1.011 20 0 CAADHO CN1CCNC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001121943646 779654073 /nfs/dbraw/zinc/65/40/73/779654073.db2.gz LPXMUHMZZGGILJ-YUMQZZPRSA-N 1 3 250.293 -1.011 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)[C@H]1CNCCN1C ZINC001122089135 779657451 /nfs/dbraw/zinc/65/74/51/779657451.db2.gz GEUAJDDVIAHUKX-LLVKDONJSA-N 1 3 258.366 -1.416 20 0 CAADHO COCC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094619 779657608 /nfs/dbraw/zinc/65/76/08/779657608.db2.gz OJXICRVFXSDOMB-MNOVXSKESA-N 1 3 259.350 -1.077 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119336 779658960 /nfs/dbraw/zinc/65/89/60/779658960.db2.gz NPQOQJFROXPCAD-GMXVVIOVSA-N 1 3 252.362 -1.042 20 0 CAADHO CC(C)OC[C@H](N)C(=O)N1CCNCC[NH2+]CC1 ZINC001122288255 779662907 /nfs/dbraw/zinc/66/29/07/779662907.db2.gz PIDYBNVBDWXJJK-NSHDSACASA-N 1 3 258.366 -1.240 20 0 CAADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867732 779719511 /nfs/dbraw/zinc/71/95/11/779719511.db2.gz YQVHSNZZZZYWQK-ZJUUUORDSA-N 1 3 299.375 -1.370 20 0 CAADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(N)=O ZINC001124866346 779720077 /nfs/dbraw/zinc/72/00/77/779720077.db2.gz AOQJJLFUGKEVIZ-IUCAKERBSA-N 1 3 285.348 -1.630 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001151049170 779801827 /nfs/dbraw/zinc/80/18/27/779801827.db2.gz JGWFSCTZVCAJJK-GFCCVEGCSA-N 1 3 298.387 -1.497 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001151049170 779801834 /nfs/dbraw/zinc/80/18/34/779801834.db2.gz JGWFSCTZVCAJJK-GFCCVEGCSA-N 1 3 298.387 -1.497 20 0 CAADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064370 779802190 /nfs/dbraw/zinc/80/21/90/779802190.db2.gz ARMUPYBNBBGPAZ-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064370 779802192 /nfs/dbraw/zinc/80/21/92/779802192.db2.gz ARMUPYBNBBGPAZ-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001151065010 779802384 /nfs/dbraw/zinc/80/23/84/779802384.db2.gz GYSXLTYOGZFDQT-SNVBAGLBSA-N 1 3 292.405 -1.807 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001151065010 779802393 /nfs/dbraw/zinc/80/23/93/779802393.db2.gz GYSXLTYOGZFDQT-SNVBAGLBSA-N 1 3 292.405 -1.807 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001151048756 779802531 /nfs/dbraw/zinc/80/25/31/779802531.db2.gz FOUQIVKSQKFKKS-MRVPVSSYSA-N 1 3 271.321 -2.161 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001151048756 779802540 /nfs/dbraw/zinc/80/25/40/779802540.db2.gz FOUQIVKSQKFKKS-MRVPVSSYSA-N 1 3 271.321 -2.161 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151044370 779802864 /nfs/dbraw/zinc/80/28/64/779802864.db2.gz RPBBGHQAJMIPIJ-LLVKDONJSA-N 1 3 268.361 -1.124 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151044370 779802872 /nfs/dbraw/zinc/80/28/72/779802872.db2.gz RPBBGHQAJMIPIJ-LLVKDONJSA-N 1 3 268.361 -1.124 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001151065005 779803016 /nfs/dbraw/zinc/80/30/16/779803016.db2.gz GYSXLTYOGZFDQT-JTQLQIEISA-N 1 3 292.405 -1.807 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001151065005 779803024 /nfs/dbraw/zinc/80/30/24/779803024.db2.gz GYSXLTYOGZFDQT-JTQLQIEISA-N 1 3 292.405 -1.807 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151049546 779803166 /nfs/dbraw/zinc/80/31/66/779803166.db2.gz RQHCAIRPUYMXKB-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151049546 779803172 /nfs/dbraw/zinc/80/31/72/779803172.db2.gz RQHCAIRPUYMXKB-QWRGUYRKSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074380 779804419 /nfs/dbraw/zinc/80/44/19/779804419.db2.gz XLGRCWRYYSUNOD-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074380 779804422 /nfs/dbraw/zinc/80/44/22/779804422.db2.gz XLGRCWRYYSUNOD-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074377 779805377 /nfs/dbraw/zinc/80/53/77/779805377.db2.gz XLGRCWRYYSUNOD-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074377 779805381 /nfs/dbraw/zinc/80/53/81/779805381.db2.gz XLGRCWRYYSUNOD-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001152147901 779819702 /nfs/dbraw/zinc/81/97/02/779819702.db2.gz NFUCLFMGTYKLKX-UWVGGRQHSA-N 1 3 299.375 -1.240 20 0 CAADHO 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C[C@@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001157799014 779913776 /nfs/dbraw/zinc/91/37/76/779913776.db2.gz JDIIUKCAHOUOKQ-BBBLOLIVSA-N 1 3 271.365 -1.042 20 0 CAADHO C[C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1[NH3+] ZINC001157798643 779914024 /nfs/dbraw/zinc/91/40/24/779914024.db2.gz FJTCSZCFJMRKHE-OUAUKWLOSA-N 1 3 268.361 -1.488 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854086 779914727 /nfs/dbraw/zinc/91/47/27/779914727.db2.gz ZWJIIPPWMSCWMK-SECBINFHSA-N 1 3 268.317 -1.588 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157855667 779915319 /nfs/dbraw/zinc/91/53/19/779915319.db2.gz PGUVQSRRSVESJA-HRDYMLBCSA-N 1 3 265.354 -1.063 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCNC(=O)C1 ZINC001157891419 779915973 /nfs/dbraw/zinc/91/59/73/779915973.db2.gz ZDEPKAUCOGPJNO-VIFPVBQESA-N 1 3 252.318 -1.856 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCCNC(=O)C1 ZINC001157891418 779916120 /nfs/dbraw/zinc/91/61/20/779916120.db2.gz ZDEPKAUCOGPJNO-SECBINFHSA-N 1 3 252.318 -1.856 20 0 CAADHO N[C@H](C(=O)N1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001157888127 779916132 /nfs/dbraw/zinc/91/61/32/779916132.db2.gz CPZBDDJATNWXFK-NSHDSACASA-N 1 3 254.334 -1.338 20 0 CAADHO O=C(N1CC[C@H](CO)[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157903348 779916713 /nfs/dbraw/zinc/91/67/13/779916713.db2.gz GACXOXVTPIIZMB-NRWUCQMLSA-N 1 3 283.372 -1.613 20 0 CAADHO N[C@H](C(=O)N1CC[C@H](CO)[C@@H](O)C1)C1CC[NH2+]CC1 ZINC001157905507 779917909 /nfs/dbraw/zinc/91/79/09/779917909.db2.gz UPZNAWRUUXOAHX-WOPDTQHZSA-N 1 3 271.361 -1.485 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934672 779918488 /nfs/dbraw/zinc/91/84/88/779918488.db2.gz NKPUSHYSWOWAIR-GARJFASQSA-N 1 3 259.350 -1.356 20 0 CAADHO N[C@H](C(=O)N1CC[C@H](O)[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936101 779918608 /nfs/dbraw/zinc/91/86/08/779918608.db2.gz XOOXXGDFETTXNX-SRVKXCTJSA-N 1 3 271.361 -1.485 20 0 CAADHO O=C(N1CC[C@H](O)[C@@H](CO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157934640 779918757 /nfs/dbraw/zinc/91/87/57/779918757.db2.gz NDIMEJZUQJZLFZ-NRWUCQMLSA-N 1 3 283.372 -1.613 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935350 779918887 /nfs/dbraw/zinc/91/88/87/779918887.db2.gz ULGWPPMVGMUZLT-GARJFASQSA-N 1 3 269.345 -2.003 20 0 CAADHO O=C(N1CC[C@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157934639 779918955 /nfs/dbraw/zinc/91/89/55/779918955.db2.gz NDIMEJZUQJZLFZ-KZVDOYCCSA-N 1 3 283.372 -1.613 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934671 779919110 /nfs/dbraw/zinc/91/91/10/779919110.db2.gz NKPUSHYSWOWAIR-DCAQKATOSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@H]1O ZINC001157944207 779919670 /nfs/dbraw/zinc/91/96/70/779919670.db2.gz IQKGXSDTQZECMN-MBNYWOFBSA-N 1 3 285.388 -1.095 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@H](N)CCC[NH3+])CC[C@@H]1O ZINC001157945241 779919808 /nfs/dbraw/zinc/91/98/08/779919808.db2.gz LASDFCGQBUJULI-JFGNBEQYSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@H]1O ZINC001157945239 779919923 /nfs/dbraw/zinc/91/99/23/779919923.db2.gz LASDFCGQBUJULI-HOSYDEDBSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]1O ZINC001157943919 779920110 /nfs/dbraw/zinc/92/01/10/779920110.db2.gz GYQVQKZBJKCRIU-JBLDHEPKSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H](N)CCC[NH3+])C[C@H]1O ZINC001157943917 779920297 /nfs/dbraw/zinc/92/02/97/779920297.db2.gz GYQVQKZBJKCRIU-CKYFFXLPSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC[C@H]1O ZINC001157945398 779921251 /nfs/dbraw/zinc/92/12/51/779921251.db2.gz LJKLXVQDXZYBNX-DMDPSCGWSA-N 1 3 283.372 -1.613 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001157998973 779923365 /nfs/dbraw/zinc/92/33/65/779923365.db2.gz LOWUHQQMHZDQMZ-ZJUUUORDSA-N 1 3 272.349 -1.584 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001157998972 779924051 /nfs/dbraw/zinc/92/40/51/779924051.db2.gz LOWUHQQMHZDQMZ-VHSXEESVSA-N 1 3 272.349 -1.584 20 0 CAADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001158012995 779924891 /nfs/dbraw/zinc/92/48/91/779924891.db2.gz ASYCKRGIFPQYQK-MNOVXSKESA-N 1 3 285.388 -1.224 20 0 CAADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001158015574 779925186 /nfs/dbraw/zinc/92/51/86/779925186.db2.gz SXWAHYFLTCUORO-GUBZILKMSA-N 1 3 285.319 -1.093 20 0 CAADHO CN1CCN(c2nccc(-n3nnnc3C[NH3+])n2)CC1 ZINC001158080060 779925591 /nfs/dbraw/zinc/92/55/91/779925591.db2.gz FFJOGMKYPOPYQX-UHFFFAOYSA-N 1 3 275.320 -1.337 20 0 CAADHO NC(C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C(F)(F)F ZINC001158101808 779927471 /nfs/dbraw/zinc/92/74/71/779927471.db2.gz MEYFAVIGNATDPE-APPZFPTMSA-N 1 3 280.250 -1.434 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179113 779930645 /nfs/dbraw/zinc/93/06/45/779930645.db2.gz IHOGPHFXJMKPSX-KRQBCVNWSA-N 1 3 289.401 -1.471 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158190874 779930729 /nfs/dbraw/zinc/93/07/29/779930729.db2.gz JVUUBENLHCJNAX-NIPOODMYSA-N 1 3 297.359 -2.357 20 0 CAADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158235889 779931235 /nfs/dbraw/zinc/93/12/35/779931235.db2.gz TYSUYRPSAUUKSW-CWSCBRNRSA-N 1 3 285.344 -1.299 20 0 CAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199132 779931528 /nfs/dbraw/zinc/93/15/28/779931528.db2.gz NGTKLDOMMPUSFJ-GARJFASQSA-N 1 3 299.396 -1.274 20 0 CAADHO NC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158259933 779932162 /nfs/dbraw/zinc/93/21/62/779932162.db2.gz AEKZXFGZUBQBEE-VIFPVBQESA-N 1 3 279.348 -2.015 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306564 779932263 /nfs/dbraw/zinc/93/22/63/779932263.db2.gz UITNEZVBTARTHM-AXFHLTTASA-N 1 3 266.345 -1.863 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327107 779932608 /nfs/dbraw/zinc/93/26/08/779932608.db2.gz RBZXQXRPOOSWAJ-SNVBAGLBSA-N 1 3 284.360 -1.440 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306350 779932642 /nfs/dbraw/zinc/93/26/42/779932642.db2.gz QGXBVXNLZKZCAJ-IVZWLZJFSA-N 1 3 269.349 -1.418 20 0 CAADHO O=C([C@H]1COC2(CNC2)CN1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306568 779932757 /nfs/dbraw/zinc/93/27/57/779932757.db2.gz UITNEZVBTARTHM-HBNTYKKESA-N 1 3 266.345 -1.863 20 0 CAADHO N[C@@H](C(=O)N1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001158368730 779933986 /nfs/dbraw/zinc/93/39/86/779933986.db2.gz JPLVHSUCTGITHR-SNVBAGLBSA-N 1 3 275.374 -1.430 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421431 779934462 /nfs/dbraw/zinc/93/44/62/779934462.db2.gz DRLFEKQTCMLQHE-XKNYDFJKSA-N 1 3 297.359 -2.343 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158420905 779934511 /nfs/dbraw/zinc/93/45/11/779934511.db2.gz AKKPLPYSGLYJKB-KXUCPTDWSA-N 1 3 269.349 -1.275 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422819 779934553 /nfs/dbraw/zinc/93/45/53/779934553.db2.gz LVSMUVOJGPIZQS-DCAQKATOSA-N 1 3 266.345 -1.720 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421430 779934752 /nfs/dbraw/zinc/93/47/52/779934752.db2.gz DRLFEKQTCMLQHE-QCLAVDOMSA-N 1 3 297.359 -2.343 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158420904 779935129 /nfs/dbraw/zinc/93/51/29/779935129.db2.gz AKKPLPYSGLYJKB-BBBLOLIVSA-N 1 3 269.349 -1.275 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421416 779935187 /nfs/dbraw/zinc/93/51/87/779935187.db2.gz DRLFEKQTCMLQHE-AATLWQCWSA-N 1 3 297.359 -2.343 20 0 CAADHO COCCN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001158604271 779937935 /nfs/dbraw/zinc/93/79/35/779937935.db2.gz MFHUFUWEAXBCNK-GFCCVEGCSA-N 1 3 282.388 -1.414 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158798830 779938986 /nfs/dbraw/zinc/93/89/86/779938986.db2.gz JLUAUCXMFVELHH-CKYFFXLPSA-N 1 3 257.334 -2.003 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158797858 779939311 /nfs/dbraw/zinc/93/93/11/779939311.db2.gz CKQJNWUAIZFETL-MNOVXSKESA-N 1 3 261.366 -1.143 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001158803549 779940045 /nfs/dbraw/zinc/94/00/45/779940045.db2.gz HJVYNMFAEOSKDC-AGIUHOORSA-N 1 3 282.388 -1.145 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001158804601 779940145 /nfs/dbraw/zinc/94/01/45/779940145.db2.gz SSOPFPIQJATLBK-TUAOUCFPSA-N 1 3 280.372 -1.663 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158799868 779940591 /nfs/dbraw/zinc/94/05/91/779940591.db2.gz PXOQTLJDLGYOJZ-QWRGUYRKSA-N 1 3 271.361 -1.328 20 0 CAADHO CN(C[C@H](O)CO)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158799868 779940595 /nfs/dbraw/zinc/94/05/95/779940595.db2.gz PXOQTLJDLGYOJZ-QWRGUYRKSA-N 1 3 271.361 -1.328 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]21 ZINC001158803879 779940610 /nfs/dbraw/zinc/94/06/10/779940610.db2.gz JHCKPJKQQQVLGT-GUIRCDHDSA-N 1 3 294.399 -1.273 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158799863 779940670 /nfs/dbraw/zinc/94/06/70/779940670.db2.gz PXOQTLJDLGYOJZ-GHMZBOCLSA-N 1 3 271.361 -1.328 20 0 CAADHO CN(C[C@@H](O)CO)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158799863 779940672 /nfs/dbraw/zinc/94/06/72/779940672.db2.gz PXOQTLJDLGYOJZ-GHMZBOCLSA-N 1 3 271.361 -1.328 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]21 ZINC001158803943 779940687 /nfs/dbraw/zinc/94/06/87/779940687.db2.gz JXGMEAUNUXWGCC-TUAOUCFPSA-N 1 3 270.377 -1.016 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]2C1=O ZINC001159886493 779952325 /nfs/dbraw/zinc/95/23/25/779952325.db2.gz MJJVUFKOOIJSLO-UTLUCORTSA-N 1 3 286.401 -1.448 20 0 CAADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1CC1 ZINC001159916786 779952958 /nfs/dbraw/zinc/95/29/58/779952958.db2.gz SMYLQTOBNKHYNP-NSHDSACASA-N 1 3 256.350 -1.092 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@@H]2C1=O ZINC001159886245 779953301 /nfs/dbraw/zinc/95/33/01/779953301.db2.gz LGTUPFRPTUMIDE-VWYCJHECSA-N 1 3 278.356 -1.658 20 0 CAADHO C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160451396 779961183 /nfs/dbraw/zinc/96/11/83/779961183.db2.gz NQOXWPRFVXMUCS-RKDXNWHRSA-N 1 3 252.318 -1.858 20 0 CAADHO C[NH2+]CC1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001160456305 779961429 /nfs/dbraw/zinc/96/14/29/779961429.db2.gz GQBKLFLDXRYWCB-LBPRGKRZSA-N 1 3 282.388 -1.225 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160456712 779961497 /nfs/dbraw/zinc/96/14/97/779961497.db2.gz PJPAPBWBBPGCJU-QMMMGPOBSA-N 1 3 275.378 -1.772 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160456122 779961684 /nfs/dbraw/zinc/96/16/84/779961684.db2.gz CELLJSKLVQIIEZ-VIFPVBQESA-N 1 3 267.333 -1.982 20 0 CAADHO [NH3+][C@H]1CN[C@H](C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC001160490947 779962440 /nfs/dbraw/zinc/96/24/40/779962440.db2.gz NHGJVKVTMSZCSK-YPMHNXCESA-N 1 3 282.388 -1.001 20 0 CAADHO [NH3+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160510973 779963646 /nfs/dbraw/zinc/96/36/46/779963646.db2.gz JEPZUUXTDNVUMV-SNVBAGLBSA-N 1 3 287.385 -1.287 20 0 CAADHO CN(C)C(=O)CN(C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160504419 779964187 /nfs/dbraw/zinc/96/41/87/779964187.db2.gz NJSGJRORAMZGSF-SECBINFHSA-N 1 3 254.334 -1.658 20 0 CAADHO CN(C)C(=O)CN(C)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160503693 779964294 /nfs/dbraw/zinc/96/42/94/779964294.db2.gz BZUXNXFYZMYEHI-NSHDSACASA-N 1 3 256.350 -1.140 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160511302 779964363 /nfs/dbraw/zinc/96/43/63/779964363.db2.gz LJUXHQLFSWSYQE-SECBINFHSA-N 1 3 257.338 -1.288 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160548657 779965095 /nfs/dbraw/zinc/96/50/95/779965095.db2.gz HJBSJSCLMTXJNW-SFYZADRCSA-N 1 3 260.363 -1.661 20 0 CAADHO COC(=O)CN1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160530975 779965198 /nfs/dbraw/zinc/96/51/98/779965198.db2.gz CUJFXGRAICSIBO-CYBMUJFWSA-N 1 3 298.387 -1.370 20 0 CAADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1CNCCN1 ZINC001160542578 779965528 /nfs/dbraw/zinc/96/55/28/779965528.db2.gz ZRHLZVZLCJGIPM-ONGXEEELSA-N 1 3 276.344 -1.011 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160549059 779967106 /nfs/dbraw/zinc/96/71/06/779967106.db2.gz NABDOGRSQCNIBR-RKDXNWHRSA-N 1 3 252.318 -1.871 20 0 CAADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596132 779968015 /nfs/dbraw/zinc/96/80/15/779968015.db2.gz CPKSVUBXORQPPN-QWRGUYRKSA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596911 779968136 /nfs/dbraw/zinc/96/81/36/779968136.db2.gz XCXRMIITWQQHRM-MNOVXSKESA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCO1 ZINC001160596203 779968200 /nfs/dbraw/zinc/96/82/00/779968200.db2.gz LTHGDHGQKJFEGI-ZJUUUORDSA-N 1 3 273.333 -1.157 20 0 CAADHO CCOC(=O)[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCO1 ZINC001160596147 779968424 /nfs/dbraw/zinc/96/84/24/779968424.db2.gz DAAGMBZXSFYHEX-NXEZZACHSA-N 1 3 273.333 -1.157 20 0 CAADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCO1 ZINC001160596148 779968721 /nfs/dbraw/zinc/96/87/21/779968721.db2.gz DAAGMBZXSFYHEX-UWVGGRQHSA-N 1 3 273.333 -1.157 20 0 CAADHO COC(=O)C[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCO1 ZINC001160596201 779968771 /nfs/dbraw/zinc/96/87/71/779968771.db2.gz LTHGDHGQKJFEGI-UWVGGRQHSA-N 1 3 273.333 -1.157 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(CCF)CC1 ZINC001160628436 779969767 /nfs/dbraw/zinc/96/97/67/779969767.db2.gz DHKSIWHVWJHIOZ-NSHDSACASA-N 1 3 270.352 -1.091 20 0 CAADHO N[C@@H](C(=O)N1CC(N2CCNC(=O)C2)C1)C1CC[NH2+]CC1 ZINC001160637434 779970694 /nfs/dbraw/zinc/97/06/94/779970694.db2.gz PVNKHSYKCUDARQ-CYBMUJFWSA-N 1 3 295.387 -2.044 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636533 779970708 /nfs/dbraw/zinc/97/07/08/779970708.db2.gz JEUNCTLKYHCIEZ-SNVBAGLBSA-N 1 3 269.349 -2.305 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644305 779972369 /nfs/dbraw/zinc/97/23/69/779972369.db2.gz YPOZCTPQCCTELF-DTWKUNHWSA-N 1 3 273.337 -2.052 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641276 779972429 /nfs/dbraw/zinc/97/24/29/779972429.db2.gz ZZJDPNKZVRSZEY-ZJUUUORDSA-N 1 3 280.328 -1.542 20 0 CAADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1F ZINC001160648931 779973698 /nfs/dbraw/zinc/97/36/98/779973698.db2.gz HXYMYTHGVFCHGR-AEJSXWLSSA-N 1 3 272.324 -1.786 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652719 779974043 /nfs/dbraw/zinc/97/40/43/779974043.db2.gz JKWHPUUGQRFLBI-OUAUKWLOSA-N 1 3 267.333 -1.790 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652407 779974338 /nfs/dbraw/zinc/97/43/38/779974338.db2.gz DGMFYSLTSMUBHF-OPRDCNLKSA-N 1 3 253.306 -1.800 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001160660255 779975173 /nfs/dbraw/zinc/97/51/73/779975173.db2.gz GYCKWCHCEOJVGP-JTQLQIEISA-N 1 3 290.389 -1.927 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160657030 779975511 /nfs/dbraw/zinc/97/55/11/779975511.db2.gz CECUYJKFHMNKHR-QMMMGPOBSA-N 1 3 264.351 -2.187 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001160660257 779975792 /nfs/dbraw/zinc/97/57/92/779975792.db2.gz GYCKWCHCEOJVGP-SNVBAGLBSA-N 1 3 290.389 -1.927 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001160703383 779976274 /nfs/dbraw/zinc/97/62/74/779976274.db2.gz DHDOMKZHQDNHIH-JGVFFNPUSA-N 1 3 276.362 -2.282 20 0 CAADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160696734 779976543 /nfs/dbraw/zinc/97/65/43/779976543.db2.gz YYVRJMRRUKIYHB-NEPJUHHUSA-N 1 3 282.388 -1.225 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1 ZINC001160703384 779977272 /nfs/dbraw/zinc/97/72/72/779977272.db2.gz DHDOMKZHQDNHIH-YUMQZZPRSA-N 1 3 276.362 -2.282 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160704878 779978464 /nfs/dbraw/zinc/97/84/64/779978464.db2.gz PUTNLUUBAJWYTC-IUCAKERBSA-N 1 3 268.317 -2.492 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160704863 779979000 /nfs/dbraw/zinc/97/90/00/779979000.db2.gz PRINCDXBCWJTJP-DTWKUNHWSA-N 1 3 258.322 -1.845 20 0 CAADHO N[C@H](C(=O)N1CCN2C(=O)COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160789791 779981333 /nfs/dbraw/zinc/98/13/33/779981333.db2.gz FVVGODBTZMCBSO-AAEUAGOBSA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789356 779981515 /nfs/dbraw/zinc/98/15/15/779981515.db2.gz BJWJMVWQSZMQJR-VHSXEESVSA-N 1 3 270.333 -1.878 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789352 779981578 /nfs/dbraw/zinc/98/15/78/779981578.db2.gz BJWJMVWQSZMQJR-NXEZZACHSA-N 1 3 270.333 -1.878 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790209 779981608 /nfs/dbraw/zinc/98/16/08/779981608.db2.gz LEFDULUQUWLBFO-QWRGUYRKSA-N 1 3 284.360 -1.488 20 0 CAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](O)CN)C[C@H]1C2 ZINC001160794083 779982035 /nfs/dbraw/zinc/98/20/35/779982035.db2.gz KNZJIBHGEOGEMR-TUYISWAISA-N 1 3 297.355 -1.837 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791207 779982702 /nfs/dbraw/zinc/98/27/02/779982702.db2.gz ZHCCAMKTSODFNM-GHMZBOCLSA-N 1 3 294.355 -2.135 20 0 CAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CN)C[C@H]1C2 ZINC001160791895 779983002 /nfs/dbraw/zinc/98/30/02/779983002.db2.gz HGVOCQGZAJJUGC-TUYISWAISA-N 1 3 296.371 -1.871 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160839173 779983561 /nfs/dbraw/zinc/98/35/61/779983561.db2.gz OABNPFDIDUYTPZ-DCAQKATOSA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160837919 779983989 /nfs/dbraw/zinc/98/39/89/779983989.db2.gz FTDZRDSPRCDODE-ZYHUDNBSSA-N 1 3 256.350 -1.534 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160838580 779984248 /nfs/dbraw/zinc/98/42/48/779984248.db2.gz KDWDWMSKLDINIA-WCQYABFASA-N 1 3 270.377 -1.144 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCN1C ZINC001160871030 779985029 /nfs/dbraw/zinc/98/50/29/779985029.db2.gz PPBZDAXXZUCYLI-VHSXEESVSA-N 1 3 272.349 -1.632 20 0 CAADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160963404 779987933 /nfs/dbraw/zinc/98/79/33/779987933.db2.gz JVYQFYWYWLYWTI-MBNYWOFBSA-N 1 3 294.399 -1.273 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000325 779988739 /nfs/dbraw/zinc/98/87/39/779988739.db2.gz RWZPYMOROWQLSH-NWDGAFQWSA-N 1 3 293.371 -1.005 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000325 779988744 /nfs/dbraw/zinc/98/87/44/779988744.db2.gz RWZPYMOROWQLSH-NWDGAFQWSA-N 1 3 293.371 -1.005 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000326 779988781 /nfs/dbraw/zinc/98/87/81/779988781.db2.gz RWZPYMOROWQLSH-RYUDHWBXSA-N 1 3 293.371 -1.005 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000326 779988789 /nfs/dbraw/zinc/98/87/89/779988789.db2.gz RWZPYMOROWQLSH-RYUDHWBXSA-N 1 3 293.371 -1.005 20 0 CAADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC(F)(F)C1 ZINC001160966768 779988881 /nfs/dbraw/zinc/98/88/81/779988881.db2.gz BIBFUBHHEFEIIJ-IUCAKERBSA-N 1 3 290.314 -1.488 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008446 779989623 /nfs/dbraw/zinc/98/96/23/779989623.db2.gz OMBCYINJNKZVCP-RYUDHWBXSA-N 1 3 282.388 -1.395 20 0 CAADHO N[C@@H](C(=O)N1CCC2(CNC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161081024 779992162 /nfs/dbraw/zinc/99/21/62/779992162.db2.gz CJQVEMLRVCUBHX-LLVKDONJSA-N 1 3 295.387 -1.013 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CNC(=O)N2)CC1 ZINC001161081970 779992860 /nfs/dbraw/zinc/99/28/60/779992860.db2.gz MWQSDDSGBRMSRK-SNVBAGLBSA-N 1 3 293.371 -1.531 20 0 CAADHO NCc1cc(NCCN(CC[NH3+])N(O)N=O)ncn1 ZINC001161087856 779994448 /nfs/dbraw/zinc/99/44/48/779994448.db2.gz VFANZYURTCVPNS-UHFFFAOYSA-N 1 3 270.297 -1.105 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161138307 779997190 /nfs/dbraw/zinc/99/71/90/779997190.db2.gz RJXZNEMJFMFAGH-KCJUWKMLSA-N 1 3 258.322 -1.845 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161138306 779998028 /nfs/dbraw/zinc/99/80/28/779998028.db2.gz RJXZNEMJFMFAGH-GZMMTYOYSA-N 1 3 258.322 -1.845 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161138779 779998611 /nfs/dbraw/zinc/99/86/11/779998611.db2.gz ZCBVWTPRNRIVHR-NOZJJQNGSA-N 1 3 282.344 -2.102 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161138782 779998950 /nfs/dbraw/zinc/99/89/50/779998950.db2.gz ZCBVWTPRNRIVHR-ZANVPECISA-N 1 3 282.344 -2.102 20 0 CAADHO CCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CN(C)C1 ZINC001161138760 779999301 /nfs/dbraw/zinc/99/93/01/779999301.db2.gz YODKNJNPZXNGSA-NSHDSACASA-N 1 3 252.362 -1.042 20 0 CAADHO C[C@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H](C)N1 ZINC001161229333 780001369 /nfs/dbraw/zinc/00/13/69/780001369.db2.gz JWOSGLNYZDRSIV-UWVGGRQHSA-N 1 3 292.405 -1.585 20 0 CAADHO CN(C(=O)[C@@H](N)Cc1cncn1C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218885 780002092 /nfs/dbraw/zinc/00/20/92/780002092.db2.gz LETGSGCXUQNXRO-WHOHXGKFSA-N 1 3 263.345 -1.034 20 0 CAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161236811 780002921 /nfs/dbraw/zinc/00/29/21/780002921.db2.gz GUCMPRWIEJOJPX-NXEZZACHSA-N 1 3 272.349 -1.632 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161239353 780003999 /nfs/dbraw/zinc/00/39/99/780003999.db2.gz JVBITFRXAXAIKP-LDYMZIIASA-N 1 3 275.328 -1.339 20 0 CAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161236813 780004501 /nfs/dbraw/zinc/00/45/01/780004501.db2.gz GUCMPRWIEJOJPX-UWVGGRQHSA-N 1 3 272.349 -1.632 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247412 780005023 /nfs/dbraw/zinc/00/50/23/780005023.db2.gz HAYWIANTYOJTIK-SNVBAGLBSA-N 1 3 279.348 -1.414 20 0 CAADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161271028 780005173 /nfs/dbraw/zinc/00/51/73/780005173.db2.gz VBTVWAPOAPFNJV-VXGBXAGGSA-N 1 3 280.372 -1.078 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161244987 780005250 /nfs/dbraw/zinc/00/52/50/780005250.db2.gz ACLFACYKSHACIZ-RTEYPVDISA-N 1 3 265.354 -1.018 20 0 CAADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161271027 780005544 /nfs/dbraw/zinc/00/55/44/780005544.db2.gz VBTVWAPOAPFNJV-NEPJUHHUSA-N 1 3 280.372 -1.078 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248068 780006217 /nfs/dbraw/zinc/00/62/17/780006217.db2.gz PYHBBPJPZMUAIT-NSHDSACASA-N 1 3 293.375 -1.024 20 0 CAADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161372476 780008160 /nfs/dbraw/zinc/00/81/60/780008160.db2.gz JOIFBCVUVGCAQU-BXKDBHETSA-N 1 3 273.333 -1.157 20 0 CAADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161373368 780009797 /nfs/dbraw/zinc/00/97/97/780009797.db2.gz PPNBJBLEBFFVNV-MFKMUULPSA-N 1 3 297.355 -1.414 20 0 CAADHO CN(C)CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCC[NH2+]C1 ZINC001161444681 780013550 /nfs/dbraw/zinc/01/35/50/780013550.db2.gz JXNZYOQMLYERTB-MNOVXSKESA-N 1 3 283.376 -1.190 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161424054 780014475 /nfs/dbraw/zinc/01/44/75/780014475.db2.gz XMNZBYBCJRFWEM-CHWSQXEVSA-N 1 3 281.404 -1.347 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CC[C@H]2C1 ZINC001161424056 780014573 /nfs/dbraw/zinc/01/45/73/780014573.db2.gz XMNZBYBCJRFWEM-QWHCGFSZSA-N 1 3 281.404 -1.347 20 0 CAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CN)CC2 ZINC001161478680 780015104 /nfs/dbraw/zinc/01/51/04/780015104.db2.gz NPPAJZGREOEMLK-YGOYTEALSA-N 1 3 270.333 -1.974 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491379 780015429 /nfs/dbraw/zinc/01/54/29/780015429.db2.gz DVJXUNCDAJMDJC-AEJSXWLSSA-N 1 3 255.318 -1.274 20 0 CAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CN)CC2 ZINC001161478678 780015872 /nfs/dbraw/zinc/01/58/72/780015872.db2.gz NPPAJZGREOEMLK-SBMIAAHKSA-N 1 3 270.333 -1.974 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161493151 780016843 /nfs/dbraw/zinc/01/68/43/780016843.db2.gz DOLFMBYXFKCWRW-GUDRVLHUSA-N 1 3 286.376 -1.340 20 0 CAADHO CO[C@@H]1CN(C(=O)CN2CCCC[C@H](N)C2=O)C[C@@H]1[NH3+] ZINC001161493965 780016913 /nfs/dbraw/zinc/01/69/13/780016913.db2.gz VMSIPMZEKULEAH-GARJFASQSA-N 1 3 284.360 -1.489 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1[NH3+] ZINC001161491386 780017502 /nfs/dbraw/zinc/01/75/02/780017502.db2.gz FAGGQZPCRGTDAT-LPEHRKFASA-N 1 3 270.333 -2.499 20 0 CAADHO CN(C1CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1)[C@H]1CCOC1 ZINC001161499029 780018534 /nfs/dbraw/zinc/01/85/34/780018534.db2.gz MUMDWQJZCBXIPY-SCVCMEIPSA-N 1 3 268.361 -1.393 20 0 CAADHO CN(C1CN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161499029 780018544 /nfs/dbraw/zinc/01/85/44/780018544.db2.gz MUMDWQJZCBXIPY-SCVCMEIPSA-N 1 3 268.361 -1.393 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161501157 780019284 /nfs/dbraw/zinc/01/92/84/780019284.db2.gz UCAUGRUMPCVDFF-WDEREUQCSA-N 1 3 279.344 -1.524 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509864 780019637 /nfs/dbraw/zinc/01/96/37/780019637.db2.gz LSURARNCCOXARQ-RKDXNWHRSA-N 1 3 285.348 -2.052 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530079 780021275 /nfs/dbraw/zinc/02/12/75/780021275.db2.gz QYXLJZWLBGKLBC-XGEHTFHBSA-N 1 3 285.348 -2.358 20 0 CAADHO CN1CC2(C1)CN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C2 ZINC001161532089 780021674 /nfs/dbraw/zinc/02/16/74/780021674.db2.gz MZDSLDVKXKKDKD-BREBYQMCSA-N 1 3 250.346 -1.018 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1=O ZINC001161511045 780021923 /nfs/dbraw/zinc/02/19/23/780021923.db2.gz VNOJDCLDFPJPNT-QWRGUYRKSA-N 1 3 296.371 -1.488 20 0 CAADHO CN1CC2(C1)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001161531773 780022029 /nfs/dbraw/zinc/02/20/29/780022029.db2.gz JEHAMKQMDZKLNC-VIFPVBQESA-N 1 3 258.391 -1.220 20 0 CAADHO COCCOC1CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161572326 780022701 /nfs/dbraw/zinc/02/27/01/780022701.db2.gz KAANVLWHLMMMEG-JTQLQIEISA-N 1 3 277.390 -1.121 20 0 CAADHO O=C(NCCC[NH2+]CCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872213 780053475 /nfs/dbraw/zinc/05/34/75/780053475.db2.gz KNPLAQUXLNVERH-LXVYMNJGSA-N 1 3 283.372 -1.062 20 0 CAADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627395 780092520 /nfs/dbraw/zinc/09/25/20/780092520.db2.gz UVAUEKCOYRXZDT-JTQLQIEISA-N 1 3 299.375 -1.239 20 0 CAADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627396 780092957 /nfs/dbraw/zinc/09/29/57/780092957.db2.gz UVAUEKCOYRXZDT-SNVBAGLBSA-N 1 3 299.375 -1.239 20 0 CAADHO Cn1cc(CN2CCCC[C@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690228 780105699 /nfs/dbraw/zinc/10/56/99/780105699.db2.gz UZDDHRLFXSKUAJ-AWEZNQCLSA-N 1 3 296.371 -1.240 20 0 CAADHO Cn1cc(CN2CCCC[C@@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690231 780106401 /nfs/dbraw/zinc/10/64/01/780106401.db2.gz UZDDHRLFXSKUAJ-CQSZACIVSA-N 1 3 296.371 -1.240 20 0 CAADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001209445068 780134671 /nfs/dbraw/zinc/13/46/71/780134671.db2.gz KIYYYVINOIZDGS-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001209445065 780134758 /nfs/dbraw/zinc/13/47/58/780134758.db2.gz KIYYYVINOIZDGS-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001210684206 780139303 /nfs/dbraw/zinc/13/93/03/780139303.db2.gz FWWRAIHFAIUIIT-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297116 780139199 /nfs/dbraw/zinc/13/91/99/780139199.db2.gz AMTMTGIIKOYGCN-VXGBXAGGSA-N 1 3 273.377 -1.007 20 0 CAADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001215455928 780156862 /nfs/dbraw/zinc/15/68/62/780156862.db2.gz JTZGPVZVHLSFQD-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001216400934 780157736 /nfs/dbraw/zinc/15/77/36/780157736.db2.gz FBZQOYDGYKORCG-GHMZBOCLSA-N 1 3 286.376 -1.514 20 0 CAADHO Cn1nnnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218497989 780165872 /nfs/dbraw/zinc/16/58/72/780165872.db2.gz WMZLMUXNFAUUEZ-GMSGAONNSA-N 1 3 251.294 -1.652 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218564916 780170761 /nfs/dbraw/zinc/17/07/61/780170761.db2.gz MYWWZCQVCFNJHC-LURJTMIESA-N 1 3 254.294 -1.097 20 0 CAADHO Cc1noc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1C(N)=O ZINC001218551300 780170800 /nfs/dbraw/zinc/17/08/00/780170800.db2.gz LPUHPXMDCQRPGT-SSDOTTSWSA-N 1 3 279.300 -1.171 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218564607 780170856 /nfs/dbraw/zinc/17/08/56/780170856.db2.gz KWYHAVOFSBDYJX-QMMMGPOBSA-N 1 3 266.305 -1.226 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218565539 780172406 /nfs/dbraw/zinc/17/24/06/780172406.db2.gz VKRWMJWCGUBCDH-JMCQJSRRSA-N 1 3 278.316 -1.354 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1c(N)c(=O)c1=O ZINC001218587763 780173591 /nfs/dbraw/zinc/17/35/91/780173591.db2.gz GRCBYWJSEDQRMN-ZETCQYMHSA-N 1 3 268.317 -1.138 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218617410 780175533 /nfs/dbraw/zinc/17/55/33/780175533.db2.gz GEBIDCTZTRXRHL-ZETCQYMHSA-N 1 3 266.305 -1.030 20 0 CAADHO COC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218610445 780175555 /nfs/dbraw/zinc/17/55/55/780175555.db2.gz OTTHJYYYFWXHTB-JTQLQIEISA-N 1 3 293.327 -1.196 20 0 CAADHO NC(=O)c1cnoc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218701668 780180902 /nfs/dbraw/zinc/18/09/02/780180902.db2.gz CLROPWANFDYOBX-SSDOTTSWSA-N 1 3 265.273 -1.479 20 0 CAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219558898 780230514 /nfs/dbraw/zinc/23/05/14/780230514.db2.gz ZKADUOIUOJKEQO-DNRKLUKYSA-N 1 3 257.334 -1.957 20 0 CAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[NH+](C)C)COC1(C)C ZINC001219554059 780230978 /nfs/dbraw/zinc/23/09/78/780230978.db2.gz UFFRAWDMWCXLFO-UWVGGRQHSA-N 1 3 286.376 -1.025 20 0 CAADHO C[C@H]1CC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C[NH2+]1 ZINC001219583506 780233591 /nfs/dbraw/zinc/23/35/91/780233591.db2.gz YUHNHVIHQBFJLC-GARJFASQSA-N 1 3 268.361 -1.427 20 0 CAADHO N[C@H](C(=O)NCCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001219573218 780233602 /nfs/dbraw/zinc/23/36/02/780233602.db2.gz IQJOGGFBELCZOY-ZDUSSCGKSA-N 1 3 298.387 -1.322 20 0 CAADHO N[C@@H](C(=O)NCCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001219573217 780234424 /nfs/dbraw/zinc/23/44/24/780234424.db2.gz IQJOGGFBELCZOY-CYBMUJFWSA-N 1 3 298.387 -1.322 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945452 780278336 /nfs/dbraw/zinc/27/83/36/780278336.db2.gz KHSBYLBHFQLDCJ-IUCAKERBSA-N 1 3 261.347 -1.130 20 0 CAADHO CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219593803 780235287 /nfs/dbraw/zinc/23/52/87/780235287.db2.gz KHJXLBCBFWOSES-QMMMGPOBSA-N 1 3 292.361 -2.936 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219617743 780239528 /nfs/dbraw/zinc/23/95/28/780239528.db2.gz OSIJMXCBOYRVBQ-LYIQGSDWSA-N 1 3 286.351 -1.883 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219617741 780239633 /nfs/dbraw/zinc/23/96/33/780239633.db2.gz OSIJMXCBOYRVBQ-DNIRFERGSA-N 1 3 286.351 -1.883 20 0 CAADHO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219617739 780239910 /nfs/dbraw/zinc/23/99/10/780239910.db2.gz OSIJMXCBOYRVBQ-DJIHRAIXSA-N 1 3 286.351 -1.883 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635320 780243816 /nfs/dbraw/zinc/24/38/16/780243816.db2.gz AMXYKFIUGZFISQ-XUXUHJBISA-N 1 3 265.354 -1.102 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635398 780243958 /nfs/dbraw/zinc/24/39/58/780243958.db2.gz FHXFOZDPACBXGO-XHNCKOQMSA-N 1 3 275.328 -1.422 20 0 CAADHO N[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671663 780245323 /nfs/dbraw/zinc/24/53/23/780245323.db2.gz NLQOPAWYEIAXSM-UWVGGRQHSA-N 1 3 275.374 -1.383 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671526 780247706 /nfs/dbraw/zinc/24/77/06/780247706.db2.gz IYAZXEXNYAHIKT-BDAKNGLRSA-N 1 3 263.363 -1.254 20 0 CAADHO CN(C(=O)CCNC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001219692701 780248153 /nfs/dbraw/zinc/24/81/53/780248153.db2.gz FMVMQEGFCIQSHU-LLVKDONJSA-N 1 3 280.372 -1.078 20 0 CAADHO CN1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219695100 780249835 /nfs/dbraw/zinc/24/98/35/780249835.db2.gz PUVBFOKAGWKWIY-YRGRVCCFSA-N 1 3 282.388 -1.368 20 0 CAADHO CN1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219695470 780249861 /nfs/dbraw/zinc/24/98/61/780249861.db2.gz USTZOBWWOZKJSR-GHMZBOCLSA-N 1 3 268.361 -1.758 20 0 CAADHO CN1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219695097 780249964 /nfs/dbraw/zinc/24/99/64/780249964.db2.gz PUVBFOKAGWKWIY-MBNYWOFBSA-N 1 3 282.388 -1.368 20 0 CAADHO O=C(NCCC1(O)C[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001219697895 780250612 /nfs/dbraw/zinc/25/06/12/780250612.db2.gz ZTSBDORCFSYUBE-VIFPVBQESA-N 1 3 270.333 -2.843 20 0 CAADHO CN1CCO[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001219695818 780251138 /nfs/dbraw/zinc/25/11/38/780251138.db2.gz ZDYDICQJRLGMIK-UZWSLXQKSA-N 1 3 268.361 -1.345 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]C[C@H]2O)C1=O ZINC001219714489 780252552 /nfs/dbraw/zinc/25/25/52/780252552.db2.gz MQOLXMKRRITPIZ-IVZWLZJFSA-N 1 3 270.333 -2.225 20 0 CAADHO [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219720853 780253986 /nfs/dbraw/zinc/25/39/86/780253986.db2.gz SUKFDAUBHKLBQL-YIZRAAEISA-N 1 3 256.306 -2.841 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720133 780254294 /nfs/dbraw/zinc/25/42/94/780254294.db2.gz HCCFPLYNUUZEPO-CKEKPRIKSA-N 1 3 272.349 -1.682 20 0 CAADHO NC[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743803 780256603 /nfs/dbraw/zinc/25/66/03/780256603.db2.gz MLRCJIPCCVMMTC-UWVGGRQHSA-N 1 3 256.350 -1.310 20 0 CAADHO [NH3+]CCCNCC(=O)NCc1nnc2n1CCCNC2 ZINC001219748777 780256673 /nfs/dbraw/zinc/25/66/73/780256673.db2.gz BPDBRDGXSWRUAD-UHFFFAOYSA-N 1 3 281.364 -1.674 20 0 CAADHO COC(=O)[C@@H](N)CCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764202 780258161 /nfs/dbraw/zinc/25/81/61/780258161.db2.gz ANVLDTOIFGWNAT-WOPDTQHZSA-N 1 3 298.387 -1.323 20 0 CAADHO O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001219767809 780258724 /nfs/dbraw/zinc/25/87/24/780258724.db2.gz FIYPEZYOYJCWFS-ZYHUDNBSSA-N 1 3 286.351 -1.475 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768889 780260943 /nfs/dbraw/zinc/26/09/43/780260943.db2.gz QIJFANPRLDXWKS-BXKDBHETSA-N 1 3 289.355 -1.030 20 0 CAADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1COC2(CNC2)CN1 ZINC001219773334 780261342 /nfs/dbraw/zinc/26/13/42/780261342.db2.gz QKRBMLOHNOXNDE-LBPRGKRZSA-N 1 3 294.399 -1.035 20 0 CAADHO CC(=O)OC[C@H](N)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809467 780262951 /nfs/dbraw/zinc/26/29/51/780262951.db2.gz LFFZSJACQDHSJH-VIFPVBQESA-N 1 3 282.300 -1.173 20 0 CAADHO [NH3+]CCCNCC(=O)NCc1noc2c1CNCC2 ZINC001219811192 780263249 /nfs/dbraw/zinc/26/32/49/780263249.db2.gz MTEYQPQRNYKGHS-UHFFFAOYSA-N 1 3 267.333 -1.125 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831183 780264099 /nfs/dbraw/zinc/26/40/99/780264099.db2.gz ALUREOBHPVILDB-HDGKAPIRSA-N 1 3 289.401 -1.425 20 0 CAADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1COC2(CNC2)CN1 ZINC001219831526 780264555 /nfs/dbraw/zinc/26/45/55/780264555.db2.gz NPISWMIXPGDKKI-WYUUTHIRSA-N 1 3 296.371 -2.190 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813454 780264823 /nfs/dbraw/zinc/26/48/23/780264823.db2.gz UYTZVOZPOXUWPP-QNFOMXJPSA-N 1 3 289.401 -1.566 20 0 CAADHO C[C@@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834341 780266449 /nfs/dbraw/zinc/26/64/49/780266449.db2.gz PYTXZJISYZHGMI-FOGDFJRCSA-N 1 3 257.334 -1.155 20 0 CAADHO C[C@@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834340 780266504 /nfs/dbraw/zinc/26/65/04/780266504.db2.gz PYTXZJISYZHGMI-CKYFFXLPSA-N 1 3 257.334 -1.155 20 0 CAADHO NC1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835110 780266691 /nfs/dbraw/zinc/26/66/91/780266691.db2.gz WTGOQJQQKPOCDG-CMPLNLGQSA-N 1 3 269.345 -1.011 20 0 CAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219847806 780268430 /nfs/dbraw/zinc/26/84/30/780268430.db2.gz SPSFBYOFGFIFLW-ORMBPQIASA-N 1 3 255.318 -1.798 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848036 780268529 /nfs/dbraw/zinc/26/85/29/780268529.db2.gz VOFOAEHBMULGAX-XPAIWELVSA-N 1 3 289.401 -1.282 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847433 780268566 /nfs/dbraw/zinc/26/85/66/780268566.db2.gz GXVDFSHJNFQGOA-VPOLOUISSA-N 1 3 299.375 -1.602 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854700 780269490 /nfs/dbraw/zinc/26/94/90/780269490.db2.gz QMXMHHNOGAAGNZ-DOLQZWNJSA-N 1 3 285.348 -2.135 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854822 780269640 /nfs/dbraw/zinc/26/96/40/780269640.db2.gz XDQIUYWVIZSKCL-NOOOWODRSA-N 1 3 279.344 -1.607 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856228 780269820 /nfs/dbraw/zinc/26/98/20/780269820.db2.gz CPPOFCIGANLXPV-PGVQDMQGSA-N 1 3 275.374 -1.815 20 0 CAADHO NC(C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(F)(F)F ZINC001219856518 780269970 /nfs/dbraw/zinc/26/99/70/780269970.db2.gz PSTZXJDSSZECJA-XZBKPIIZSA-N 1 3 253.224 -1.021 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1=O ZINC001219856197 780270164 /nfs/dbraw/zinc/27/01/64/780270164.db2.gz BSZMUHOPJJXYJC-NOOOWODRSA-N 1 3 296.371 -1.571 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854739 780270205 /nfs/dbraw/zinc/27/02/05/780270205.db2.gz SBINAHOXRLNQHN-CHWFTXMASA-N 1 3 265.317 -1.618 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854739 780270210 /nfs/dbraw/zinc/27/02/10/780270210.db2.gz SBINAHOXRLNQHN-CHWFTXMASA-N 1 3 265.317 -1.618 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H](C)O ZINC001219879370 780271109 /nfs/dbraw/zinc/27/11/09/780271109.db2.gz FFWYPDSNFGRCRG-VGMNWLOBSA-N 1 3 271.317 -2.166 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H](C)O ZINC001219880748 780272339 /nfs/dbraw/zinc/27/23/39/780272339.db2.gz HZPPQPNDPYWATO-QNSHHTMESA-N 1 3 273.333 -1.648 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@@H](C)O ZINC001219880096 780272905 /nfs/dbraw/zinc/27/29/05/780272905.db2.gz UCSHUKPSKDEYIW-MXWKQRLJSA-N 1 3 299.371 -1.101 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H](C)O ZINC001219880096 780272914 /nfs/dbraw/zinc/27/29/14/780272914.db2.gz UCSHUKPSKDEYIW-MXWKQRLJSA-N 1 3 299.371 -1.101 20 0 CAADHO COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H](C)O ZINC001219880212 780273063 /nfs/dbraw/zinc/27/30/63/780273063.db2.gz YMBAOJWSEDPMEV-ORXSELOVSA-N 1 3 285.344 -1.776 20 0 CAADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219915784 780273574 /nfs/dbraw/zinc/27/35/74/780273574.db2.gz AZBMDROTPZRSPG-NXEZZACHSA-N 1 3 256.350 -1.617 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001219889982 780274471 /nfs/dbraw/zinc/27/44/71/780274471.db2.gz DBRGRMDEUSOXIP-UMNHJUIQSA-N 1 3 254.334 -1.210 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219890932 780274530 /nfs/dbraw/zinc/27/45/30/780274530.db2.gz MJHZZFQPVODAOV-NHCYSSNCSA-N 1 3 286.401 -1.257 20 0 CAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[NH2+]CCO ZINC001219918090 780276563 /nfs/dbraw/zinc/27/65/63/780276563.db2.gz DRJVYAFJGXIJFF-QWRGUYRKSA-N 1 3 288.392 -1.437 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NCC[NH2+]CCO ZINC001219919045 780277074 /nfs/dbraw/zinc/27/70/74/780277074.db2.gz WEJOBJIOVFIITE-ZKANADHPSA-N 1 3 251.352 -2.220 20 0 CAADHO Cc1nonc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219948180 780278639 /nfs/dbraw/zinc/27/86/39/780278639.db2.gz OBDMBUCCSHPBFK-MRVPVSSYSA-N 1 3 251.290 -1.197 20 0 CAADHO N[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945616 780279105 /nfs/dbraw/zinc/27/91/05/780279105.db2.gz NZVISXSUHDPWFE-ZJUUUORDSA-N 1 3 273.358 -1.260 20 0 CAADHO O=C(NC[C@H]1CCC(=O)N1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219959493 780280436 /nfs/dbraw/zinc/28/04/36/780280436.db2.gz XCRATLWPPQTRAC-BDAKNGLRSA-N 1 3 252.318 -1.810 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959174 780280729 /nfs/dbraw/zinc/28/07/29/780280729.db2.gz LGKDQOJWOVUBPG-YUMQZZPRSA-N 1 3 260.363 -1.600 20 0 CAADHO O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219959495 780281111 /nfs/dbraw/zinc/28/11/11/780281111.db2.gz XCRATLWPPQTRAC-IUCAKERBSA-N 1 3 252.318 -1.810 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219960927 780282330 /nfs/dbraw/zinc/28/23/30/780282330.db2.gz CDVQONSTJXNCHM-VIFPVBQESA-N 1 3 278.378 -2.021 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219961461 780282517 /nfs/dbraw/zinc/28/25/17/780282517.db2.gz MDFBDHSOQBFTTC-MWLCHTKSSA-N 1 3 290.389 -2.149 20 0 CAADHO N[C@@H](C(=O)NC[C@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959548 780283030 /nfs/dbraw/zinc/28/30/30/780283030.db2.gz YMQHRUWVMLLVHW-MWLCHTKSSA-N 1 3 254.334 -1.292 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@H](N)CCC[NH3+] ZINC001219960979 780283491 /nfs/dbraw/zinc/28/34/91/780283491.db2.gz DOZSDRJGODFPLP-SSDOTTSWSA-N 1 3 252.340 -2.282 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969598 780284052 /nfs/dbraw/zinc/28/40/52/780284052.db2.gz GBSVNLHDGVMCFY-BDAKNGLRSA-N 1 3 287.389 -1.366 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969599 780284471 /nfs/dbraw/zinc/28/44/71/780284471.db2.gz GBSVNLHDGVMCFY-IUCAKERBSA-N 1 3 287.389 -1.366 20 0 CAADHO [NH3+][C@@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969493 780284742 /nfs/dbraw/zinc/28/47/42/780284742.db2.gz BTFNGQIENUOPDC-WDEREUQCSA-N 1 3 281.360 -1.059 20 0 CAADHO N[C@@H](C(=O)NC1(CO)CCOCC1)C1CC[NH2+]CC1 ZINC001220018689 780291319 /nfs/dbraw/zinc/29/13/19/780291319.db2.gz OENYBQQGXSKTCH-LLVKDONJSA-N 1 3 271.361 -1.029 20 0 CAADHO N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220020361 780291367 /nfs/dbraw/zinc/29/13/67/780291367.db2.gz GDVXZBUONWZJPV-VIFPVBQESA-N 1 3 261.289 -1.245 20 0 CAADHO CC(C)[C@@](C)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220023245 780292825 /nfs/dbraw/zinc/29/28/25/780292825.db2.gz SGIUXSRLWXDGLX-JOYOIKCWSA-N 1 3 268.361 -1.188 20 0 CAADHO O=C(N[C@@H]1CCC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220028522 780293911 /nfs/dbraw/zinc/29/39/11/780293911.db2.gz VVYDKVOKMDPVSA-JRKPZEMJSA-N 1 3 280.328 -1.893 20 0 CAADHO N[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030318 780294217 /nfs/dbraw/zinc/29/42/17/780294217.db2.gz BUDOPLGVLSTHBT-WPRPVWTQSA-N 1 3 268.317 -1.765 20 0 CAADHO N[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030317 780294283 /nfs/dbraw/zinc/29/42/83/780294283.db2.gz BUDOPLGVLSTHBT-WCBMZHEXSA-N 1 3 268.317 -1.765 20 0 CAADHO C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220052908 780299907 /nfs/dbraw/zinc/29/99/07/780299907.db2.gz IWMFWGJSKRUHIN-QMMMGPOBSA-N 1 3 261.347 -1.901 20 0 CAADHO N=C(NC(=O)[C@H]1COC2(CNC2)CN1)SCC[NH3+] ZINC001220106538 780303688 /nfs/dbraw/zinc/30/36/88/780303688.db2.gz RBEKQNYQZRJORC-SSDOTTSWSA-N 1 3 273.362 -1.940 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)NC(CO)(CO)CO ZINC001220107979 780304479 /nfs/dbraw/zinc/30/44/79/780304479.db2.gz FATLWSRBVKVBOO-JTQLQIEISA-N 1 3 277.365 -2.123 20 0 CAADHO CCC(CO)(CO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220110236 780306022 /nfs/dbraw/zinc/30/60/22/780306022.db2.gz ZPWMPDKRLZOVPD-JTQLQIEISA-N 1 3 259.350 -1.437 20 0 CAADHO CCC(CO)(CO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220109644 780306248 /nfs/dbraw/zinc/30/62/48/780306248.db2.gz HVMUHGZHLPCVGZ-SECBINFHSA-N 1 3 257.334 -1.955 20 0 CAADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220141810 780308978 /nfs/dbraw/zinc/30/89/78/780308978.db2.gz XAEPMQJIDBTHPG-HBNTYKKESA-N 1 3 269.345 -1.285 20 0 CAADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001220138638 780309755 /nfs/dbraw/zinc/30/97/55/780309755.db2.gz BIFSRIOQQXRIHW-CIUDSAMLSA-N 1 3 263.363 -1.256 20 0 CAADHO O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220143507 780310640 /nfs/dbraw/zinc/31/06/40/780310640.db2.gz KXDVQBDNWXRWHY-JTQLQIEISA-N 1 3 299.396 -1.511 20 0 CAADHO O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@@H]1CNCC12C[NH2+]C2 ZINC001220143507 780310648 /nfs/dbraw/zinc/31/06/48/780310648.db2.gz KXDVQBDNWXRWHY-JTQLQIEISA-N 1 3 299.396 -1.511 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143576 780311212 /nfs/dbraw/zinc/31/12/12/780311212.db2.gz NMOFTOFOFNQSHT-SECBINFHSA-N 1 3 275.374 -1.254 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001220145453 780311399 /nfs/dbraw/zinc/31/13/99/780311399.db2.gz CPANYIXMBIQQGW-MRVPVSSYSA-N 1 3 264.351 -2.187 20 0 CAADHO N[C@@H](C(=O)NC1CC(CO)(CO)C1)C1CC[NH2+]CC1 ZINC001220151935 780312201 /nfs/dbraw/zinc/31/22/01/780312201.db2.gz NIEUAFNSMCIDON-LLVKDONJSA-N 1 3 271.361 -1.437 20 0 CAADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220149969 780312292 /nfs/dbraw/zinc/31/22/92/780312292.db2.gz LDFCFVRBMUIMBE-AEJSXWLSSA-N 1 3 254.334 -1.830 20 0 CAADHO CS(=O)(=O)N1CC(NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220145978 780312309 /nfs/dbraw/zinc/31/23/09/780312309.db2.gz YIKKNEKUZPZZOJ-SECBINFHSA-N 1 3 288.373 -2.445 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1(C[NH3+])COC1 ZINC001220157007 780313575 /nfs/dbraw/zinc/31/35/75/780313575.db2.gz TUWJPOBPXOMFDP-WPRPVWTQSA-N 1 3 272.349 -1.680 20 0 CAADHO CN1CCC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001220158684 780313974 /nfs/dbraw/zinc/31/39/74/780313974.db2.gz DMMABCVNMHNHFV-JTQLQIEISA-N 1 3 292.405 -1.583 20 0 CAADHO N[C@H](C(=O)N[C@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173276 780315919 /nfs/dbraw/zinc/31/59/19/780315919.db2.gz MBLNQAYNLPNWLF-RYUDHWBXSA-N 1 3 299.371 -1.039 20 0 CAADHO N=C(NC(=O)[C@@H](N)CSCC[NH3+])c1ncc[nH]1 ZINC001220181278 780317786 /nfs/dbraw/zinc/31/77/86/780317786.db2.gz HMAJBROPMIDCOD-LURJTMIESA-N 1 3 256.335 -1.130 20 0 CAADHO O=C(N[C@H]1COCC[C@@H]1O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220181280 780317895 /nfs/dbraw/zinc/31/78/95/780317895.db2.gz HWIBCPQODJFDSN-MPPDQPJWSA-N 1 3 269.345 -1.549 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220203062 780318464 /nfs/dbraw/zinc/31/84/64/780318464.db2.gz UUCRYDLVGAKTCL-IUCAKERBSA-N 1 3 252.318 -1.952 20 0 CAADHO COc1ccnc(C(=N)NC(=O)[C@H](N)CCC[NH3+])n1 ZINC001220183354 780318494 /nfs/dbraw/zinc/31/84/94/780318494.db2.gz MMWKRNGBXDRAFH-SSDOTTSWSA-N 1 3 266.305 -1.007 20 0 CAADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CN)CC1 ZINC001220200901 780319053 /nfs/dbraw/zinc/31/90/53/780319053.db2.gz ZAOPSUVZWGCQOH-NSHDSACASA-N 1 3 258.366 -1.111 20 0 CAADHO COc1ccnc(C(=N)NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220183827 780319347 /nfs/dbraw/zinc/31/93/47/780319347.db2.gz ZOKMQCPAFWEENU-QMMMGPOBSA-N 1 3 290.327 -1.264 20 0 CAADHO O=C(NC[C@H]1CNC(=O)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220203060 780319835 /nfs/dbraw/zinc/31/98/35/780319835.db2.gz UUCRYDLVGAKTCL-BDAKNGLRSA-N 1 3 252.318 -1.952 20 0 CAADHO O=C(NC[C@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220202909 780320304 /nfs/dbraw/zinc/32/03/04/780320304.db2.gz PFYBJMBLSPRMOI-GIPNMCIBSA-N 1 3 266.345 -1.562 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])CC1=O ZINC001220245317 780325536 /nfs/dbraw/zinc/32/55/36/780325536.db2.gz NJONLZQSIJCJGK-BDAKNGLRSA-N 1 3 274.390 -1.400 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)CC1=O ZINC001220245247 780325603 /nfs/dbraw/zinc/32/56/03/780325603.db2.gz LRQQUUITIYSEDN-NXEZZACHSA-N 1 3 266.345 -1.610 20 0 CAADHO CN1C[C@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)CC1=O ZINC001220245249 780325759 /nfs/dbraw/zinc/32/57/59/780325759.db2.gz LRQQUUITIYSEDN-VHSXEESVSA-N 1 3 266.345 -1.610 20 0 CAADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220252061 780326588 /nfs/dbraw/zinc/32/65/88/780326588.db2.gz NDJNSZHSIBTLLB-NWDGAFQWSA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220252061 780326596 /nfs/dbraw/zinc/32/65/96/780326596.db2.gz NDJNSZHSIBTLLB-NWDGAFQWSA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220252063 780326991 /nfs/dbraw/zinc/32/69/91/780326991.db2.gz NDJNSZHSIBTLLB-VXGBXAGGSA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220252063 780326993 /nfs/dbraw/zinc/32/69/93/780326993.db2.gz NDJNSZHSIBTLLB-VXGBXAGGSA-N 1 3 282.388 -1.083 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220268694 780328155 /nfs/dbraw/zinc/32/81/55/780328155.db2.gz OYMQTBNOIGSWBJ-SECBINFHSA-N 1 3 290.389 -2.197 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220269210 780328225 /nfs/dbraw/zinc/32/82/25/780328225.db2.gz XIGJZKLCJQBVIU-QMMMGPOBSA-N 1 3 266.367 -1.940 20 0 CAADHO Cn1cc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001220276397 780329856 /nfs/dbraw/zinc/32/98/56/780329856.db2.gz JCMWVQJEGYEYIB-NSHDSACASA-N 1 3 263.345 -1.112 20 0 CAADHO COCCn1cncc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220274874 780330699 /nfs/dbraw/zinc/33/06/99/780330699.db2.gz RGEUJPZSZAVMKT-LBPRGKRZSA-N 1 3 293.371 -1.045 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316465 780335462 /nfs/dbraw/zinc/33/54/62/780335462.db2.gz PNNNARLJHHSRCN-BDAKNGLRSA-N 1 3 258.322 -1.926 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316466 780335493 /nfs/dbraw/zinc/33/54/93/780335493.db2.gz PNNNARLJHHSRCN-IUCAKERBSA-N 1 3 258.322 -1.926 20 0 CAADHO N[C@H](C(=O)NC[C@@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316410 780335537 /nfs/dbraw/zinc/33/55/37/780335537.db2.gz PAJRFNNDSCBGBJ-ONGXEEELSA-N 1 3 270.333 -2.056 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316627 780336688 /nfs/dbraw/zinc/33/66/88/780336688.db2.gz RLNQRILHQKQORC-GBIKHYSHSA-N 1 3 282.344 -2.183 20 0 CAADHO O=C(NC[C@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316628 780336741 /nfs/dbraw/zinc/33/67/41/780336741.db2.gz RLNQRILHQKQORC-GIPNMCIBSA-N 1 3 282.344 -2.183 20 0 CAADHO Cc1cc(NC(=O)[C@H](N)CCC[NH3+])n(N)c(=O)c1 ZINC001220323886 780337840 /nfs/dbraw/zinc/33/78/40/780337840.db2.gz PXFBBXBTPMVFIX-MRVPVSSYSA-N 1 3 253.306 -1.125 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](CO)C(N)=O ZINC001220329289 780338215 /nfs/dbraw/zinc/33/82/15/780338215.db2.gz LLNPQRXYZBYDQW-IUCAKERBSA-N 1 3 260.338 -1.992 20 0 CAADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](CO)C(N)=O ZINC001220329637 780339842 /nfs/dbraw/zinc/33/98/42/780339842.db2.gz VVFINPHIGUAFBN-UWVGGRQHSA-N 1 3 274.365 -1.556 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220382404 780342472 /nfs/dbraw/zinc/34/24/72/780342472.db2.gz WHAWCFCJKPSPRB-RYUDHWBXSA-N 1 3 270.377 -1.240 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220382400 780342862 /nfs/dbraw/zinc/34/28/62/780342862.db2.gz WHAWCFCJKPSPRB-NEPJUHHUSA-N 1 3 270.377 -1.240 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220382023 780343308 /nfs/dbraw/zinc/34/33/08/780343308.db2.gz PTARMWNEYBUCJA-YRGRVCCFSA-N 1 3 282.388 -1.368 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)[nH]c1=O ZINC001220424938 780347215 /nfs/dbraw/zinc/34/72/15/780347215.db2.gz ZJGNBRNNYMUCIZ-SNVBAGLBSA-N 1 3 281.316 -1.249 20 0 CAADHO O=C(CNC1CC[NH2+]CC1)NC[C@@H]1COCCN1 ZINC001220428833 780347933 /nfs/dbraw/zinc/34/79/33/780347933.db2.gz FWAFZMPDXDBXQA-LLVKDONJSA-N 1 3 256.350 -1.567 20 0 CAADHO O=C(CNC1CC[NH2+]CC1)NC[C@H]1COCCN1 ZINC001220428834 780348358 /nfs/dbraw/zinc/34/83/58/780348358.db2.gz FWAFZMPDXDBXQA-NSHDSACASA-N 1 3 256.350 -1.567 20 0 CAADHO O=C(N[C@H](CO)C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220447527 780350179 /nfs/dbraw/zinc/35/01/79/780350179.db2.gz LKGDYZUGXDJSIX-RNFRBKRXSA-N 1 3 267.251 -1.165 20 0 CAADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220478045 780351075 /nfs/dbraw/zinc/35/10/75/780351075.db2.gz XRJYNJNMZFWVTB-IUCAKERBSA-N 1 3 275.349 -1.129 20 0 CAADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220479309 780351333 /nfs/dbraw/zinc/35/13/33/780351333.db2.gz GVEGBEMNNQNTRK-ZJUUUORDSA-N 1 3 299.371 -1.386 20 0 CAADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220479308 780351474 /nfs/dbraw/zinc/35/14/74/780351474.db2.gz GVEGBEMNNQNTRK-UWVGGRQHSA-N 1 3 299.371 -1.386 20 0 CAADHO O=C(N1C[C@H](O)C[C@@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220481841 780352874 /nfs/dbraw/zinc/35/28/74/780352874.db2.gz SUFAMIJOSSZINN-PRULPYPASA-N 1 3 269.345 -1.860 20 0 CAADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CN)O1 ZINC001220481903 780352896 /nfs/dbraw/zinc/35/28/96/780352896.db2.gz VNQFEIWNOUXQGJ-YSSBGUOXSA-N 1 3 260.338 -1.887 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220517786 780353696 /nfs/dbraw/zinc/35/36/96/780353696.db2.gz ZUTCZMCUEYJEPX-XYZCENFISA-N 1 3 264.395 -1.911 20 0 CAADHO [NH3+]C1(CNC(=O)[C@@H]2COC3(CNC3)CN2)CCCC1 ZINC001220494263 780355965 /nfs/dbraw/zinc/35/59/65/780355965.db2.gz IBJXOSXVKRDIBN-JTQLQIEISA-N 1 3 268.361 -1.296 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1([NH3+])CCCC1 ZINC001220497426 780356020 /nfs/dbraw/zinc/35/60/20/780356020.db2.gz XBASVRYVNZRETD-IUCAKERBSA-N 1 3 299.375 -1.919 20 0 CAADHO CN(CC[NH3+])CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC001220517214 780356725 /nfs/dbraw/zinc/35/67/25/780356725.db2.gz AROQCJOBLQMCGO-NSHDSACASA-N 1 3 285.392 -1.667 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NCCOCCOCC[NH3+] ZINC001220517437 780357018 /nfs/dbraw/zinc/35/70/18/780357018.db2.gz LQYMNKFLXKOXPG-LLVKDONJSA-N 1 3 285.348 -1.612 20 0 CAADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220514495 780357040 /nfs/dbraw/zinc/35/70/40/780357040.db2.gz NDAWPKKKBLJJJE-LURJTMIESA-N 1 3 283.288 -1.027 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1cncn1C ZINC001220516220 780357254 /nfs/dbraw/zinc/35/72/54/780357254.db2.gz SJHFTOWDRSFMMB-NSHDSACASA-N 1 3 268.365 -1.703 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519289 780358383 /nfs/dbraw/zinc/35/83/83/780358383.db2.gz JAUBQPSMGDUXCK-LBPRGKRZSA-N 1 3 299.375 -1.602 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@]2(N)CC[NH2+]C2)CCNC1 ZINC001220523599 780358921 /nfs/dbraw/zinc/35/89/21/780358921.db2.gz RXVCHKRRLZRADG-ZDUSSCGKSA-N 1 3 282.344 -1.396 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570912 780362625 /nfs/dbraw/zinc/36/26/25/780362625.db2.gz DDNVQYPGDSWARZ-JTQLQIEISA-N 1 3 288.417 -1.546 20 0 CAADHO O=C(NCCN1CC2(COC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220571607 780363810 /nfs/dbraw/zinc/36/38/10/780363810.db2.gz VHBWXBLRADSVLK-NSHDSACASA-N 1 3 280.372 -1.756 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220571051 780364214 /nfs/dbraw/zinc/36/42/14/780364214.db2.gz HNERRHHUZLBDGQ-NSHDSACASA-N 1 3 270.377 -1.109 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001220596690 780369276 /nfs/dbraw/zinc/36/92/76/780369276.db2.gz FPOGRWZMINMXJT-SNVBAGLBSA-N 1 3 252.318 -1.858 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220596879 780369685 /nfs/dbraw/zinc/36/96/85/780369685.db2.gz LTMFFMCELNLFRE-ZWNOBZJWSA-N 1 3 266.345 -1.468 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001220598760 780369856 /nfs/dbraw/zinc/36/98/56/780369856.db2.gz BYEGDTRBZYOUGT-LLVKDONJSA-N 1 3 254.334 -1.340 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)C1=O ZINC001220590647 780370008 /nfs/dbraw/zinc/37/00/08/780370008.db2.gz PQDMPNDJSYTFJG-ZJUUUORDSA-N 1 3 266.345 -1.468 20 0 CAADHO C[C@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220725432 780375845 /nfs/dbraw/zinc/37/58/45/780375845.db2.gz RLVRFFZLGOJVCH-NWDGAFQWSA-N 1 3 282.388 -1.368 20 0 CAADHO C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220725628 780376845 /nfs/dbraw/zinc/37/68/45/780376845.db2.gz VWESYTARIZFCFP-MNOVXSKESA-N 1 3 258.366 -1.111 20 0 CAADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220756943 780378510 /nfs/dbraw/zinc/37/85/10/780378510.db2.gz OQARQHCSVWMYHU-KOLCDFICSA-N 1 3 268.361 -1.316 20 0 CAADHO CC(=O)NC[C@@H](C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220756944 780379323 /nfs/dbraw/zinc/37/93/23/780379323.db2.gz OQARQHCSVWMYHU-MWLCHTKSSA-N 1 3 268.361 -1.316 20 0 CAADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220768759 780380500 /nfs/dbraw/zinc/38/05/00/780380500.db2.gz ANZGZRDNECTVIG-QWRGUYRKSA-N 1 3 297.359 -1.313 20 0 CAADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220768758 780380639 /nfs/dbraw/zinc/38/06/39/780380639.db2.gz ANZGZRDNECTVIG-MNOVXSKESA-N 1 3 297.359 -1.313 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)C(C)(C)O)C[NH2+]C1 ZINC001220826959 780382259 /nfs/dbraw/zinc/38/22/59/780382259.db2.gz DFFPRCSHCLVFBL-SECBINFHSA-N 1 3 271.317 -1.379 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2COC(C)(C)N2)C[NH2+]C1 ZINC001220851055 780385693 /nfs/dbraw/zinc/38/56/93/780385693.db2.gz FRXYMKFKYHRDDT-QMMMGPOBSA-N 1 3 271.317 -1.268 20 0 CAADHO CCOC(=O)C1(NC(=O)C[C@H]2COCCN2)CNC1 ZINC001220851178 780388583 /nfs/dbraw/zinc/38/85/83/780388583.db2.gz LARNUPHDLDTDCM-VIFPVBQESA-N 1 3 271.317 -1.614 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CNC1 ZINC001220851184 780388626 /nfs/dbraw/zinc/38/86/26/780388626.db2.gz LHBXAGZVINTAJA-YUMQZZPRSA-N 1 3 256.306 -2.303 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CNC1 ZINC001220851184 780388638 /nfs/dbraw/zinc/38/86/38/780388638.db2.gz LHBXAGZVINTAJA-YUMQZZPRSA-N 1 3 256.306 -2.303 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)CN)CNC1 ZINC001220851369 780389377 /nfs/dbraw/zinc/38/93/77/780389377.db2.gz TUGKGJJQXDWNCK-VIFPVBQESA-N 1 3 298.343 -2.043 20 0 CAADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220857450 780389499 /nfs/dbraw/zinc/38/94/99/780389499.db2.gz COIRYAUHYDDPFY-UWVGGRQHSA-N 1 3 270.377 -1.194 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NCCN1CCNCC1=O ZINC001220875126 780390491 /nfs/dbraw/zinc/39/04/91/780390491.db2.gz UEECBHUHEQWAIS-VIFPVBQESA-N 1 3 289.405 -2.446 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220881289 780390683 /nfs/dbraw/zinc/39/06/83/780390683.db2.gz HPKCBZVWDKXPAD-HLTSFMKQSA-N 1 3 275.374 -1.069 20 0 CAADHO [NH3+][C@H]1CN[C@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220875239 780391827 /nfs/dbraw/zinc/39/18/27/780391827.db2.gz YWJHQLUSHDOXGU-BDAKNGLRSA-N 1 3 255.322 -2.776 20 0 CAADHO N[C@H]1C[NH2+][C@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220875239 780391835 /nfs/dbraw/zinc/39/18/35/780391835.db2.gz YWJHQLUSHDOXGU-BDAKNGLRSA-N 1 3 255.322 -2.776 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884768 780392177 /nfs/dbraw/zinc/39/21/77/780392177.db2.gz MOJYVTPDFYBZOA-DTWKUNHWSA-N 1 3 257.338 -1.370 20 0 CAADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220881082 780392758 /nfs/dbraw/zinc/39/27/58/780392758.db2.gz CAEOEBBKILJMDQ-IVZWLZJFSA-N 1 3 267.329 -1.279 20 0 CAADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220881291 780392945 /nfs/dbraw/zinc/39/29/45/780392945.db2.gz HPKCBZVWDKXPAD-YIZRAAEISA-N 1 3 275.374 -1.069 20 0 CAADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220881080 780393627 /nfs/dbraw/zinc/39/36/27/780393627.db2.gz CAEOEBBKILJMDQ-AEJSXWLSSA-N 1 3 267.329 -1.279 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889931 780394025 /nfs/dbraw/zinc/39/40/25/780394025.db2.gz QRRGBVNOLHKYTR-YIZRAAEISA-N 1 3 285.348 -2.438 20 0 CAADHO O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001220936477 780395579 /nfs/dbraw/zinc/39/55/79/780395579.db2.gz FYQJOISTHLBSFW-QWRGUYRKSA-N 1 3 284.360 -2.189 20 0 CAADHO NC[C@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930122 780395872 /nfs/dbraw/zinc/39/58/72/780395872.db2.gz MEGOJQQLYQZKIT-QXEWZRGKSA-N 1 3 256.350 -1.230 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937409 780398357 /nfs/dbraw/zinc/39/83/57/780398357.db2.gz QUQBBOXLRFWQMG-GHMZBOCLSA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937409 780398366 /nfs/dbraw/zinc/39/83/66/780398366.db2.gz QUQBBOXLRFWQMG-GHMZBOCLSA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937410 780398917 /nfs/dbraw/zinc/39/89/17/780398917.db2.gz QUQBBOXLRFWQMG-MNOVXSKESA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937410 780398925 /nfs/dbraw/zinc/39/89/25/780398925.db2.gz QUQBBOXLRFWQMG-MNOVXSKESA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937412 780399811 /nfs/dbraw/zinc/39/98/11/780399811.db2.gz QUQBBOXLRFWQMG-WDEREUQCSA-N 1 3 267.333 -1.226 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937412 780399819 /nfs/dbraw/zinc/39/98/19/780399819.db2.gz QUQBBOXLRFWQMG-WDEREUQCSA-N 1 3 267.333 -1.226 20 0 CAADHO CN1CCC[C@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240828 780407079 /nfs/dbraw/zinc/40/70/79/780407079.db2.gz DKEPLOZLWJQYFZ-YPMHNXCESA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001221254152 780408241 /nfs/dbraw/zinc/40/82/41/780408241.db2.gz GXZHGFKQZRPSLM-WDEREUQCSA-N 1 3 268.361 -1.615 20 0 CAADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001221254152 780408244 /nfs/dbraw/zinc/40/82/44/780408244.db2.gz GXZHGFKQZRPSLM-WDEREUQCSA-N 1 3 268.361 -1.615 20 0 CAADHO O=C(NC1CN(C2COC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001221245751 780408465 /nfs/dbraw/zinc/40/84/65/780408465.db2.gz ARSRISPFTTYBOV-LLVKDONJSA-N 1 3 266.345 -2.005 20 0 CAADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001221254151 780408641 /nfs/dbraw/zinc/40/86/41/780408641.db2.gz GXZHGFKQZRPSLM-QWRGUYRKSA-N 1 3 268.361 -1.615 20 0 CAADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001221254151 780408643 /nfs/dbraw/zinc/40/86/43/780408643.db2.gz GXZHGFKQZRPSLM-QWRGUYRKSA-N 1 3 268.361 -1.615 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221245846 780408940 /nfs/dbraw/zinc/40/89/40/780408940.db2.gz GDNSIWLVOIDAPK-NSHDSACASA-N 1 3 256.350 -1.358 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221245857 780408985 /nfs/dbraw/zinc/40/89/85/780408985.db2.gz GJJCRPNXEUGYBX-JTQLQIEISA-N 1 3 274.390 -1.795 20 0 CAADHO O=C(NC1CN(C2COC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221246338 780409097 /nfs/dbraw/zinc/40/90/97/780409097.db2.gz YFNYCQFTTVOBRS-QMTHXVAHSA-N 1 3 280.372 -1.615 20 0 CAADHO Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(=O)[nH]1 ZINC001221327989 780414492 /nfs/dbraw/zinc/41/44/92/780414492.db2.gz HWPXVAVOQZBTIK-MRVPVSSYSA-N 1 3 263.301 -1.174 20 0 CAADHO O=C(NC1=CC(=O)NCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221317175 780414853 /nfs/dbraw/zinc/41/48/53/780414853.db2.gz YETJHSGVRJZLMM-VIFPVBQESA-N 1 3 250.302 -1.685 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221336051 780415552 /nfs/dbraw/zinc/41/55/52/780415552.db2.gz IZOJNCSBNMEHFC-SECBINFHSA-N 1 3 278.378 -1.796 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC[NH3+] ZINC001221348616 780417021 /nfs/dbraw/zinc/41/70/21/780417021.db2.gz KJYKGXGDMWLXRY-YUMQZZPRSA-N 1 3 273.337 -2.451 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221369193 780417070 /nfs/dbraw/zinc/41/70/70/780417070.db2.gz KILLTXKXBCMGSZ-ZJUUUORDSA-N 1 3 268.361 -1.046 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367661 780417336 /nfs/dbraw/zinc/41/73/36/780417336.db2.gz SDALSSDTFDDSCL-IWSPIJDZSA-N 1 3 275.328 -1.422 20 0 CAADHO CC1(C)C(=O)NC[C@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221369190 780417440 /nfs/dbraw/zinc/41/74/40/780417440.db2.gz KILLTXKXBCMGSZ-NXEZZACHSA-N 1 3 268.361 -1.046 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCCCC[NH3+])C(N)=O ZINC001221347814 780417531 /nfs/dbraw/zinc/41/75/31/780417531.db2.gz AXHDXMCKARZMNY-DTWKUNHWSA-N 1 3 287.364 -2.061 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221369191 780417612 /nfs/dbraw/zinc/41/76/12/780417612.db2.gz KILLTXKXBCMGSZ-UWVGGRQHSA-N 1 3 268.361 -1.046 20 0 CAADHO O=C(NC[C@H]1CNC(=O)O1)[C@H]1C[NH2+]CC12CNC2 ZINC001221368108 780417622 /nfs/dbraw/zinc/41/76/22/780417622.db2.gz CZXFPBDVMLIQFB-JGVFFNPUSA-N 1 3 254.290 -1.980 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367241 780417660 /nfs/dbraw/zinc/41/76/60/780417660.db2.gz OINXUEICACZBRF-YVRUXSQRSA-N 1 3 265.354 -1.102 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221369192 780417730 /nfs/dbraw/zinc/41/77/30/780417730.db2.gz KILLTXKXBCMGSZ-VHSXEESVSA-N 1 3 268.361 -1.046 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221371488 780418261 /nfs/dbraw/zinc/41/82/61/780418261.db2.gz YLKKBNQGOHHZBX-BQBZGAKWSA-N 1 3 262.335 -1.770 20 0 CAADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CNC(=O)N1 ZINC001221388714 780418280 /nfs/dbraw/zinc/41/82/80/780418280.db2.gz DZCSDQTYBORWQW-QMMMGPOBSA-N 1 3 270.337 -1.268 20 0 CAADHO N[C@H](C(=O)NC[C@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370797 780419278 /nfs/dbraw/zinc/41/92/78/780419278.db2.gz UIVVVIVEOASPGY-IUCAKERBSA-N 1 3 256.306 -1.462 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221403806 780420545 /nfs/dbraw/zinc/42/05/45/780420545.db2.gz YIUXJFHZNIVGFT-LLVKDONJSA-N 1 3 298.387 -2.110 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001221406721 780420577 /nfs/dbraw/zinc/42/05/77/780420577.db2.gz ULHKWACJTAQISL-LBPRGKRZSA-N 1 3 256.350 -1.750 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001221402379 780420723 /nfs/dbraw/zinc/42/07/23/780420723.db2.gz FQKKYMMKZFUDBL-SDDRHHMPSA-N 1 3 282.388 -1.491 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221406718 780420858 /nfs/dbraw/zinc/42/08/58/780420858.db2.gz ULHKWACJTAQISL-GFCCVEGCSA-N 1 3 256.350 -1.750 20 0 CAADHO COC(=O)[C@@H]1CNCCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236055498 780495422 /nfs/dbraw/zinc/49/54/22/780495422.db2.gz SAASLCWIQUCCGH-LBPRGKRZSA-N 1 3 293.371 -1.024 20 0 CAADHO COC(=O)[C@@H]1CNCCN1CC[C@@H]1C[NH2+]CCO1 ZINC001236053215 780495722 /nfs/dbraw/zinc/49/57/22/780495722.db2.gz REDFMDRYWBDPRI-MNOVXSKESA-N 1 3 257.334 -1.188 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@@H]1C[NH2+]C[C@@H]1O ZINC001238124535 780514744 /nfs/dbraw/zinc/51/47/44/780514744.db2.gz WRBPSVKQODZAHS-ZJUUUORDSA-N 1 3 263.363 -1.762 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@H]1C[NH2+]C[C@H]1O ZINC001238124533 780515035 /nfs/dbraw/zinc/51/50/35/780515035.db2.gz WRBPSVKQODZAHS-VHSXEESVSA-N 1 3 263.363 -1.762 20 0 CAADHO O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331209 780516989 /nfs/dbraw/zinc/51/69/89/780516989.db2.gz NDRLPXURGOHSKE-MWLCHTKSSA-N 1 3 288.373 -1.764 20 0 CAADHO COC(=O)[C@H](CC[NH3+])[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238355261 780517067 /nfs/dbraw/zinc/51/70/67/780517067.db2.gz DLIINXQRPREOHT-JTQLQIEISA-N 1 3 293.389 -1.204 20 0 CAADHO NCCS(=O)(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001238346215 780517438 /nfs/dbraw/zinc/51/74/38/780517438.db2.gz YWWZSICPWXAEPN-LPEHRKFASA-N 1 3 263.363 -1.511 20 0 CAADHO O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331207 780517942 /nfs/dbraw/zinc/51/79/42/780517942.db2.gz NDRLPXURGOHSKE-GXSJLCMTSA-N 1 3 288.373 -1.764 20 0 CAADHO NCCS(=O)(=O)N1CCOCC12CC[NH2+]CC2 ZINC001239042245 780528696 /nfs/dbraw/zinc/52/86/96/780528696.db2.gz VVRISWLSXFEHCW-UHFFFAOYSA-N 1 3 263.363 -1.271 20 0 CAADHO NCCS(=O)(=O)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001239026685 780528880 /nfs/dbraw/zinc/52/88/80/780528880.db2.gz IWVITSAZMQCSMM-NXEZZACHSA-N 1 3 263.363 -1.415 20 0 CAADHO NCCS(=O)(=O)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001239027160 780529126 /nfs/dbraw/zinc/52/91/26/780529126.db2.gz RAWUKAUBCZCRLK-LLVKDONJSA-N 1 3 277.390 -1.023 20 0 CAADHO NCCS(=O)(=O)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001239116404 780531588 /nfs/dbraw/zinc/53/15/88/780531588.db2.gz BUZSJCGTXOARNC-UHFFFAOYSA-N 1 3 276.406 -1.356 20 0 CAADHO COC(=O)[C@@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984752 780539390 /nfs/dbraw/zinc/53/93/90/780539390.db2.gz JVBVWWRCRJHHEI-MNOVXSKESA-N 1 3 271.361 -1.016 20 0 CAADHO N[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1F ZINC001246014575 780539777 /nfs/dbraw/zinc/53/97/77/780539777.db2.gz PJCOCQCVOYQXIV-AXFHLTTASA-N 1 3 261.341 -1.167 20 0 CAADHO [NH3+]C[C@]1(O)CCCCN(C[C@H](O)CN2CCOCC2)C1 ZINC001246022425 780541122 /nfs/dbraw/zinc/54/11/22/780541122.db2.gz NUWHUEKWCXHDEH-ZIAGYGMSSA-N 1 3 287.404 -1.145 20 0 CAADHO COC(=O)[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246033374 780541579 /nfs/dbraw/zinc/54/15/79/780541579.db2.gz VGLNKCJZGBECFD-SNVBAGLBSA-N 1 3 257.334 -1.452 20 0 CAADHO COC(=O)[C@@H]1CNCCN1C[C@@]1(O)CCC[NH2+]C1 ZINC001246049920 780543274 /nfs/dbraw/zinc/54/32/74/780543274.db2.gz SRYBJUVKCWBLON-CMPLNLGQSA-N 1 3 257.334 -1.452 20 0 CAADHO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246085035 780543897 /nfs/dbraw/zinc/54/38/97/780543897.db2.gz VNOOCDXOOVUJQG-MWGHHZFTSA-N 1 3 275.324 -1.458 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1 ZINC001246081222 780544354 /nfs/dbraw/zinc/54/43/54/780544354.db2.gz JEMQAOYUKSRMHJ-MRBYEJRBSA-N 1 3 289.351 -1.068 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CO)CCNCC2)CN1 ZINC001246119981 780544832 /nfs/dbraw/zinc/54/48/32/780544832.db2.gz YJBIGAFVSGSYJE-MNOVXSKESA-N 1 3 271.361 -1.016 20 0 CAADHO O=C1C[C@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)N3)N1 ZINC001246144304 780545231 /nfs/dbraw/zinc/54/52/31/780545231.db2.gz KDWYZCDJEYUWJI-DGVQMENUSA-N 1 3 266.345 -1.327 20 0 CAADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)N3)N1 ZINC001246144311 780545916 /nfs/dbraw/zinc/54/59/16/780545916.db2.gz KDWYZCDJEYUWJI-ODFRNBSQSA-N 1 3 266.345 -1.327 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCCNC2)CN1 ZINC001246234803 780549542 /nfs/dbraw/zinc/54/95/42/780549542.db2.gz WOVKDVNGEKGSPN-GVXVVHGQSA-N 1 3 271.361 -1.016 20 0 CAADHO COC(=O)[C@@H]1C[C@H](NCCOCCOCC[NH3+])CN1 ZINC001246286403 780551396 /nfs/dbraw/zinc/55/13/96/780551396.db2.gz XJMHSBOZRKEXGM-QWRGUYRKSA-N 1 3 275.349 -1.529 20 0 CAADHO CC[C@]1(C(=O)OC)C[C@H](NCCNCC[NH3+])CN1 ZINC001246405403 780553560 /nfs/dbraw/zinc/55/35/60/780553560.db2.gz OMDAYNXMOMKPNN-CMPLNLGQSA-N 1 3 258.366 -1.192 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246402875 780553881 /nfs/dbraw/zinc/55/38/81/780553881.db2.gz BVDSXYHPZYLOEL-DCAQKATOSA-N 1 3 286.376 -1.148 20 0 CAADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001246412422 780554218 /nfs/dbraw/zinc/55/42/18/780554218.db2.gz DBYYECLTMARBGO-BDAKNGLRSA-N 1 3 263.363 -1.254 20 0 CAADHO C[C@H](CC(=O)N1CCOCC1)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575363 780556935 /nfs/dbraw/zinc/55/69/35/780556935.db2.gz CDAITZMYSNKUFD-GRYCIOLGSA-N 1 3 271.361 -1.125 20 0 CAADHO NC(=O)[C@@H](N)Cc1cn([C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246527884 780557209 /nfs/dbraw/zinc/55/72/09/780557209.db2.gz ZJQYTQCGMBJHKP-QWRGUYRKSA-N 1 3 278.360 -1.495 20 0 CAADHO COC(=O)[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691834 780561592 /nfs/dbraw/zinc/56/15/92/780561592.db2.gz GAQKNQRZLHSSRD-MNOVXSKESA-N 1 3 268.361 -1.473 20 0 CAADHO COC(=O)[C@@H]1CNCCN1[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246856902 780563104 /nfs/dbraw/zinc/56/31/04/780563104.db2.gz IAMAMTBFBCUHRM-QWRGUYRKSA-N 1 3 269.345 -1.046 20 0 CAADHO O=C1COC[C@@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872336 780564282 /nfs/dbraw/zinc/56/42/82/780564282.db2.gz ROUCLEUGWFLHAW-RYUDHWBXSA-N 1 3 280.372 -1.377 20 0 CAADHO O=C1COC[C@@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872296 780564825 /nfs/dbraw/zinc/56/48/25/780564825.db2.gz ROUCLEUGWFLHAW-NEPJUHHUSA-N 1 3 280.372 -1.377 20 0 CAADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@@H]1CNC(=O)CO1 ZINC001253208769 780591948 /nfs/dbraw/zinc/59/19/48/780591948.db2.gz SUAVBRXDOHVJAW-WDEREUQCSA-N 1 3 259.350 -1.206 20 0 CAADHO CCN(CC)C[C@H](O)C[NH2+]C[C@@H]1CC(=O)NC1=O ZINC001253209967 780591968 /nfs/dbraw/zinc/59/19/68/780591968.db2.gz JZDFUIASALYRJJ-VHSXEESVSA-N 1 3 257.334 -1.059 20 0 CAADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@@H]1CC(=O)NC1=O ZINC001253209966 780592375 /nfs/dbraw/zinc/59/23/75/780592375.db2.gz JZDFUIASALYRJJ-UWVGGRQHSA-N 1 3 257.334 -1.059 20 0 CAADHO CCN(CC)C[C@H](O)C[NH2+]C[C@H]1CC(=O)NC1=O ZINC001253209965 780592163 /nfs/dbraw/zinc/59/21/63/780592163.db2.gz JZDFUIASALYRJJ-NXEZZACHSA-N 1 3 257.334 -1.059 20 0 CAADHO [NH3+]CCN(CCN[C@@H]1CCS(=O)(=O)C1)N(O)N=O ZINC001254325598 780603495 /nfs/dbraw/zinc/60/34/95/780603495.db2.gz YKXZSMNJJGYJJE-MRVPVSSYSA-N 1 3 281.338 -1.689 20 0 CAADHO CN(C)C[C@H](CO)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001261483059 780666738 /nfs/dbraw/zinc/66/67/38/780666738.db2.gz HDNIXTAYDUNXNC-OLZOCXBDSA-N 1 3 274.409 -1.893 20 0 CAADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN)cn1 ZINC001261502522 780667252 /nfs/dbraw/zinc/66/72/52/780667252.db2.gz PDMFDSBOCBUPAV-UHFFFAOYSA-N 1 3 268.321 -1.542 20 0 CAADHO O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@@H]1CNCCO1 ZINC001261578660 780672856 /nfs/dbraw/zinc/67/28/56/780672856.db2.gz LFZCPIVTYQGNRP-VIFPVBQESA-N 1 3 268.317 -1.351 20 0 CAADHO O=c1c2c(ncn1C[C@H]1CNCCO1)CC[NH2+]CC2 ZINC001261578662 780672904 /nfs/dbraw/zinc/67/29/04/780672904.db2.gz LGJFCLLLSXGLQU-SNVBAGLBSA-N 1 3 264.329 -1.080 20 0 CAADHO COCCN1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001263110651 780721297 /nfs/dbraw/zinc/72/12/97/780721297.db2.gz CUFRZANFOIANFP-UHFFFAOYSA-N 1 3 258.366 -1.285 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135511184 781373243 /nfs/dbraw/zinc/37/32/43/781373243.db2.gz KMKOIATXYJVWDG-JTQLQIEISA-N 1 3 284.360 -1.161 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135512844 781373987 /nfs/dbraw/zinc/37/39/87/781373987.db2.gz AFGNWOZFYCMSTI-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001135511679 781374159 /nfs/dbraw/zinc/37/41/59/781374159.db2.gz YLKUKBBECFXADB-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001246006097 781397846 /nfs/dbraw/zinc/39/78/46/781397846.db2.gz HDNOQYZQELZOTJ-NEPJUHHUSA-N 1 3 288.392 -1.748 20 0 CAADHO O=S1(=O)CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246080980 781402317 /nfs/dbraw/zinc/40/23/17/781402317.db2.gz IAJZRJQCWFXDBT-LPEHRKFASA-N 1 3 266.338 -1.174 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246090754 781404555 /nfs/dbraw/zinc/40/45/55/781404555.db2.gz YXVSEOUVHVXDFT-MPPDQPJWSA-N 1 3 289.351 -1.068 20 0 CAADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001159917523 781409598 /nfs/dbraw/zinc/40/95/98/781409598.db2.gz YVAWIBQUXMKNHX-LLVKDONJSA-N 1 3 299.375 -1.383 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160456518 781440311 /nfs/dbraw/zinc/44/03/11/781440311.db2.gz LMRVIVYPXCSDAH-JTQLQIEISA-N 1 3 269.349 -1.464 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160456520 781440341 /nfs/dbraw/zinc/44/03/41/781440341.db2.gz LMXZMRRDFZJXIX-VIFPVBQESA-N 1 3 257.338 -1.334 20 0 CAADHO CN(CC(=O)N(c1ncccn1)C1CNC1)C(N)=[NH2+] ZINC001144135887 781444401 /nfs/dbraw/zinc/44/44/01/781444401.db2.gz HDKYJDFBGJGXTA-UHFFFAOYSA-N 1 3 263.305 -1.393 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144135035 781444675 /nfs/dbraw/zinc/44/46/75/781444675.db2.gz CRJXQWCVQLQQBF-VIFPVBQESA-N 1 3 257.338 -1.399 20 0 CAADHO CN(CC(=O)NC1(CO)CCN(C)CC1)C(N)=[NH2+] ZINC001144149178 781445668 /nfs/dbraw/zinc/44/56/68/781445668.db2.gz IGDBYIPXJUVPGP-UHFFFAOYSA-N 1 3 257.338 -1.615 20 0 CAADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144339367 781450979 /nfs/dbraw/zinc/45/09/79/781450979.db2.gz DFTXTPPUNYAYCJ-QMMMGPOBSA-N 1 3 298.347 -1.352 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643866 781457758 /nfs/dbraw/zinc/45/77/58/781457758.db2.gz OWFYWMAPUPPGLH-UWVGGRQHSA-N 1 3 253.306 -1.534 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647656 781457789 /nfs/dbraw/zinc/45/77/89/781457789.db2.gz QYEOGPDBYRACRN-NXEZZACHSA-N 1 3 254.334 -1.114 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647657 781458550 /nfs/dbraw/zinc/45/85/50/781458550.db2.gz QYEOGPDBYRACRN-ZJUUUORDSA-N 1 3 254.334 -1.114 20 0 CAADHO COC(=O)[C@@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626762 781477323 /nfs/dbraw/zinc/47/73/23/781477323.db2.gz UYFVMMFZPMPETP-QWRGUYRKSA-N 1 3 268.361 -1.473 20 0 CAADHO COC(=O)CN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246804142 781482462 /nfs/dbraw/zinc/48/24/62/781482462.db2.gz MCIBOJAURKQWDD-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160968249 781485118 /nfs/dbraw/zinc/48/51/18/781485118.db2.gz RLLXKCZCGCZNLD-JGVFFNPUSA-N 1 3 293.318 -1.043 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001146719910 781490231 /nfs/dbraw/zinc/49/02/31/781490231.db2.gz WCHOHHCLFVZKNU-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001146719910 781490235 /nfs/dbraw/zinc/49/02/35/781490235.db2.gz WCHOHHCLFVZKNU-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001146719912 781490634 /nfs/dbraw/zinc/49/06/34/781490634.db2.gz WCHOHHCLFVZKNU-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001146719912 781490641 /nfs/dbraw/zinc/49/06/41/781490641.db2.gz WCHOHHCLFVZKNU-SNVBAGLBSA-N 1 3 256.350 -1.078 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001146728258 781490944 /nfs/dbraw/zinc/49/09/44/781490944.db2.gz XDRBGZRZMVOEOH-SNVBAGLBSA-N 1 3 284.360 -1.161 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001146728258 781490949 /nfs/dbraw/zinc/49/09/49/781490949.db2.gz XDRBGZRZMVOEOH-SNVBAGLBSA-N 1 3 284.360 -1.161 20 0 CAADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001146711443 781491140 /nfs/dbraw/zinc/49/11/40/781491140.db2.gz SBFIQFUAGBIGIM-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001146711443 781491144 /nfs/dbraw/zinc/49/11/44/781491144.db2.gz SBFIQFUAGBIGIM-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161034187 781505848 /nfs/dbraw/zinc/50/58/48/781505848.db2.gz BZSGSYVTAGXSIC-GBIKHYSHSA-N 1 3 266.345 -1.338 20 0 CAADHO N=C(N)N(CCCC[NH3+])C(=O)c1c[nH]c(=O)cn1 ZINC001147629597 781513887 /nfs/dbraw/zinc/51/38/87/781513887.db2.gz CNKONFQQLTZRAE-UHFFFAOYSA-N 1 3 252.278 -1.156 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001147886034 781522538 /nfs/dbraw/zinc/52/25/38/781522538.db2.gz RTNQEKDJUDHWMC-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001147886034 781522544 /nfs/dbraw/zinc/52/25/44/781522544.db2.gz RTNQEKDJUDHWMC-MNOVXSKESA-N 1 3 268.361 -1.078 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841321 781522805 /nfs/dbraw/zinc/52/28/05/781522805.db2.gz FDFSJRPWNXWZEK-UHFFFAOYSA-N 1 3 274.365 -1.641 20 0 CAADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147891934 781522870 /nfs/dbraw/zinc/52/28/70/781522870.db2.gz FKSIJDHMJHXYTF-LLVKDONJSA-N 1 3 288.392 -1.253 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCN[C@H]1CCNC1=O ZINC001147848655 781522932 /nfs/dbraw/zinc/52/29/32/781522932.db2.gz RUMNIOFPTLMBHL-JTQLQIEISA-N 1 3 272.349 -1.841 20 0 CAADHO C[NH+](C)CCOCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001147847982 781522971 /nfs/dbraw/zinc/52/29/71/781522971.db2.gz BWYIANZVMIYXML-LLVKDONJSA-N 1 3 286.376 -1.451 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147885620 781523230 /nfs/dbraw/zinc/52/32/30/781523230.db2.gz NSWFPABZJFDLJF-SECBINFHSA-N 1 3 285.348 -1.771 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147885620 781523237 /nfs/dbraw/zinc/52/32/37/781523237.db2.gz NSWFPABZJFDLJF-SECBINFHSA-N 1 3 285.348 -1.771 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001147886036 781523256 /nfs/dbraw/zinc/52/32/56/781523256.db2.gz RTNQEKDJUDHWMC-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001147886036 781523265 /nfs/dbraw/zinc/52/32/65/781523265.db2.gz RTNQEKDJUDHWMC-WDEREUQCSA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886554 781523669 /nfs/dbraw/zinc/52/36/69/781523669.db2.gz XNGCYJVQCMUWDJ-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886554 781523676 /nfs/dbraw/zinc/52/36/76/781523676.db2.gz XNGCYJVQCMUWDJ-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147885621 781523871 /nfs/dbraw/zinc/52/38/71/781523871.db2.gz NSWFPABZJFDLJF-VIFPVBQESA-N 1 3 285.348 -1.771 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147885621 781523879 /nfs/dbraw/zinc/52/38/79/781523879.db2.gz NSWFPABZJFDLJF-VIFPVBQESA-N 1 3 285.348 -1.771 20 0 CAADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899930 781524804 /nfs/dbraw/zinc/52/48/04/781524804.db2.gz CUDSEOBUGXMJNI-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899930 781524810 /nfs/dbraw/zinc/52/48/10/781524810.db2.gz CUDSEOBUGXMJNI-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@H](NCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892606 781525408 /nfs/dbraw/zinc/52/54/08/781525408.db2.gz KSVNOQNHUXFZSZ-JTQLQIEISA-N 1 3 274.365 -1.466 20 0 CAADHO O=C(NCCN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001147976899 781526347 /nfs/dbraw/zinc/52/63/47/781526347.db2.gz DLFUZTQCEYGBIX-SNVBAGLBSA-N 1 3 266.345 -1.324 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148638411 781538271 /nfs/dbraw/zinc/53/82/71/781538271.db2.gz HCOHIRDNNMIFOL-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976864 781527063 /nfs/dbraw/zinc/52/70/63/781527063.db2.gz CSHGEKAQLKWWJG-UHFFFAOYSA-N 1 3 297.359 -1.756 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977657 781527556 /nfs/dbraw/zinc/52/75/56/781527556.db2.gz UIXCABUZGJYRHH-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001148656109 781538308 /nfs/dbraw/zinc/53/83/08/781538308.db2.gz VOUPJKHHVPSGPX-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001148656110 781539648 /nfs/dbraw/zinc/53/96/48/781539648.db2.gz VOUPJKHHVPSGPX-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171763046 781572094 /nfs/dbraw/zinc/57/20/94/781572094.db2.gz SJYNAIIDNATUMD-UHFFFAOYSA-N 1 3 287.364 -1.381 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151049407 781696337 /nfs/dbraw/zinc/69/63/37/781696337.db2.gz NPUFOJOKLXVOTB-NXEZZACHSA-N 1 3 254.334 -1.468 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151049407 781696340 /nfs/dbraw/zinc/69/63/40/781696340.db2.gz NPUFOJOKLXVOTB-NXEZZACHSA-N 1 3 254.334 -1.468 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001151056353 781700157 /nfs/dbraw/zinc/70/01/57/781700157.db2.gz LNPMVYNHOQGPNV-VHSXEESVSA-N 1 3 282.344 -1.551 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001151056353 781700164 /nfs/dbraw/zinc/70/01/64/781700164.db2.gz LNPMVYNHOQGPNV-VHSXEESVSA-N 1 3 282.344 -1.551 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151065701 781700964 /nfs/dbraw/zinc/70/09/64/781700964.db2.gz NCVVGEILDYYNRN-GHMZBOCLSA-N 1 3 268.361 -1.125 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151065701 781700971 /nfs/dbraw/zinc/70/09/71/781700971.db2.gz NCVVGEILDYYNRN-GHMZBOCLSA-N 1 3 268.361 -1.125 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065938 781701019 /nfs/dbraw/zinc/70/10/19/781701019.db2.gz OKLIUMFEYNTBGC-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065938 781701026 /nfs/dbraw/zinc/70/10/26/781701026.db2.gz OKLIUMFEYNTBGC-ZJUUUORDSA-N 1 3 256.350 -1.222 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151065706 781701903 /nfs/dbraw/zinc/70/19/03/781701903.db2.gz NCVVGEILDYYNRN-WDEREUQCSA-N 1 3 268.361 -1.125 20 0 CAADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151065706 781701913 /nfs/dbraw/zinc/70/19/13/781701913.db2.gz NCVVGEILDYYNRN-WDEREUQCSA-N 1 3 268.361 -1.125 20 0 CAADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151065703 781702188 /nfs/dbraw/zinc/70/21/88/781702188.db2.gz NCVVGEILDYYNRN-MNOVXSKESA-N 1 3 268.361 -1.125 20 0 CAADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151065703 781702194 /nfs/dbraw/zinc/70/21/94/781702194.db2.gz NCVVGEILDYYNRN-MNOVXSKESA-N 1 3 268.361 -1.125 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001185408714 781784957 /nfs/dbraw/zinc/78/49/57/781784957.db2.gz WYLTULSFZCEJSN-GHMZBOCLSA-N 1 3 296.371 -1.066 20 0 CAADHO CNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115924 781814492 /nfs/dbraw/zinc/81/44/92/781814492.db2.gz VJYVEDRNJCZKJB-LLVKDONJSA-N 1 3 286.376 -1.499 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001187825540 781830678 /nfs/dbraw/zinc/83/06/78/781830678.db2.gz PNROHNFLBDHSQH-VHSXEESVSA-N 1 3 297.359 -1.677 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001187825540 781830689 /nfs/dbraw/zinc/83/06/89/781830689.db2.gz PNROHNFLBDHSQH-VHSXEESVSA-N 1 3 297.359 -1.677 20 0 CAADHO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835389 781830904 /nfs/dbraw/zinc/83/09/04/781830904.db2.gz VVTOCIIZFWEKGB-SNVBAGLBSA-N 1 3 297.359 -1.532 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001187825539 781831041 /nfs/dbraw/zinc/83/10/41/781831041.db2.gz PNROHNFLBDHSQH-NXEZZACHSA-N 1 3 297.359 -1.677 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001187825539 781831049 /nfs/dbraw/zinc/83/10/49/781831049.db2.gz PNROHNFLBDHSQH-NXEZZACHSA-N 1 3 297.359 -1.677 20 0 CAADHO C[NH+](C)CC1(O)CCN(c2nc(N)nc(N)n2)CC1 ZINC001307178390 884121003 /nfs/dbraw/zinc/12/10/03/884121003.db2.gz ZJLFVVJTKLHPKS-UHFFFAOYSA-N 1 3 267.337 -1.071 20 0 CAADHO N[C@H](CC(F)F)C(=O)NCCN1CC[NH2+]CC1 ZINC001326361298 884788817 /nfs/dbraw/zinc/78/88/17/884788817.db2.gz LBDVDRUXXLVSMU-MRVPVSSYSA-N 1 3 250.293 -1.010 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC001326584730 884811251 /nfs/dbraw/zinc/81/12/51/884811251.db2.gz YRQLOZCBCCVGHT-GFCCVEGCSA-N 1 3 270.377 -1.272 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]([NH3+])C2)n1 ZINC001327612615 884907560 /nfs/dbraw/zinc/90/75/60/884907560.db2.gz BZSXKJXQJSSYCF-LJGSYFOKSA-N 1 3 251.290 -1.006 20 0 CAADHO O[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Cn1ccnn1 ZINC001329223835 885077365 /nfs/dbraw/zinc/07/73/65/885077365.db2.gz WLUAWJUQAOVFSZ-VXGBXAGGSA-N 1 3 269.349 -1.315 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001329470129 885108145 /nfs/dbraw/zinc/10/81/45/885108145.db2.gz NULZQPYDGUVVTF-UHFFFAOYSA-N 1 3 286.376 -1.370 20 0 CAADHO CN(CCOCC[NH3+])Cc1cn(C)c(=O)n(C)c1=O ZINC001330196775 885182862 /nfs/dbraw/zinc/18/28/62/885182862.db2.gz CGBDQZMXSLGGRD-UHFFFAOYSA-N 1 3 270.333 -1.509 20 0 CAADHO COC1(C(=O)NC[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC001332449589 885410825 /nfs/dbraw/zinc/41/08/25/885410825.db2.gz JIAVRSHWHPGEFO-JTQLQIEISA-N 1 3 257.334 -1.140 20 0 CAADHO CN1CC[C@@](O)(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001336000073 885643918 /nfs/dbraw/zinc/64/39/18/885643918.db2.gz JKBQWWPTJQVGDP-ZIAGYGMSSA-N 1 3 286.420 -1.749 20 0 CAADHO COC[C@]1(C(=O)NCC2(O)C[NH2+]C2)CCCCN1 ZINC001340596874 885805750 /nfs/dbraw/zinc/80/57/50/885805750.db2.gz UTXUNFJJWUVTBT-LBPRGKRZSA-N 1 3 257.334 -1.404 20 0 CAADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340947092 885818952 /nfs/dbraw/zinc/81/89/52/885818952.db2.gz ZWVLWTNGRKOHFU-WDEREUQCSA-N 1 3 256.350 -1.615 20 0 CAADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340947081 885820585 /nfs/dbraw/zinc/82/05/85/885820585.db2.gz ZWVLWTNGRKOHFU-GHMZBOCLSA-N 1 3 256.350 -1.615 20 0 CAADHO CN(C)CC(=O)NC[C@H](C[NH3+])NC(=O)CN(C)C ZINC001342179180 885874963 /nfs/dbraw/zinc/87/49/63/885874963.db2.gz MCOYLPKCZNSMBR-VIFPVBQESA-N 1 3 259.354 -2.331 20 0 CAADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1COC2(CNC2)C1 ZINC001342215736 885875679 /nfs/dbraw/zinc/87/56/79/885875679.db2.gz NQHDIVLNTXAXCI-BBBLOLIVSA-N 1 3 257.334 -1.550 20 0 CAADHO O=C(NC[C@H]1CNCCO1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001343099812 885904293 /nfs/dbraw/zinc/90/42/93/885904293.db2.gz PYLHDMONXYVWPJ-MNOVXSKESA-N 1 3 269.345 -1.140 20 0 CAADHO COC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CNCCO1 ZINC001342622202 885895140 /nfs/dbraw/zinc/89/51/40/885895140.db2.gz LUFWLHGWHGUVLD-ZDUSSCGKSA-N 1 3 286.376 -1.987 20 0 CAADHO CCN1CCN([C@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001343453537 885917819 /nfs/dbraw/zinc/91/78/19/885917819.db2.gz OZOONLPWDJOADR-GFCCVEGCSA-N 1 3 271.409 -1.323 20 0 CAADHO C[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347061113 886022177 /nfs/dbraw/zinc/02/21/77/886022177.db2.gz LRQAVOICAHJDDM-ZCFIWIBFSA-N 1 3 254.294 -1.213 20 0 CAADHO CO[C@@H](CN)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001349816656 886151161 /nfs/dbraw/zinc/15/11/61/886151161.db2.gz QMFJOFISQHRCKH-MNOVXSKESA-N 1 3 256.350 -1.534 20 0 CAADHO CN1CC[NH+](CCCCNC(=O)C2(O)CNC2)CC1 ZINC001350405026 886170900 /nfs/dbraw/zinc/17/09/00/886170900.db2.gz HIGIPSRWUZWIDY-UHFFFAOYSA-N 1 3 270.377 -1.536 20 0 CAADHO [NH3+]C1(CNC(=O)C[C@H]2CNCCO2)CCOCC1 ZINC001352850087 886249936 /nfs/dbraw/zinc/24/99/36/886249936.db2.gz VHJXIPMWLHHEPY-JTQLQIEISA-N 1 3 257.334 -1.011 20 0 CAADHO CN1CCN(CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001353581648 886285324 /nfs/dbraw/zinc/28/53/24/886285324.db2.gz LUULELYMEQSSHG-UHFFFAOYSA-N 1 3 284.404 -1.160 20 0 CAADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377259922 887985516 /nfs/dbraw/zinc/98/55/16/887985516.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 1 3 273.377 -1.007 20 0 CAADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377259922 887985525 /nfs/dbraw/zinc/98/55/25/887985525.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 1 3 273.377 -1.007 20 0 CAADHO C[C@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424379 888707361 /nfs/dbraw/zinc/70/73/61/888707361.db2.gz NRGWWDDPNPKJCX-UWVGGRQHSA-N 1 3 284.360 -1.977 20 0 CAADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001394737492 888888731 /nfs/dbraw/zinc/88/87/31/888888731.db2.gz FTXWURKKEAGHFS-JTQLQIEISA-N 1 3 286.376 -1.635 20 0 CAADHO C[C@@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564124 889158304 /nfs/dbraw/zinc/15/83/04/889158304.db2.gz VSEPFXSXSNFHKD-MWLCHTKSSA-N 1 3 286.376 -1.731 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406270112 889501900 /nfs/dbraw/zinc/50/19/00/889501900.db2.gz AKSJYSMTIRVLAC-VIFPVBQESA-N 1 3 270.333 -2.366 20 0 CAADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320156 890208644 /nfs/dbraw/zinc/20/86/44/890208644.db2.gz VJVOPVLUMFDYNY-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320156 890208661 /nfs/dbraw/zinc/20/86/61/890208661.db2.gz VJVOPVLUMFDYNY-BDAKNGLRSA-N 1 3 285.348 -1.773 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420193045 890410303 /nfs/dbraw/zinc/41/03/03/890410303.db2.gz IFCCHGNFPOAUJH-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420193045 890410308 /nfs/dbraw/zinc/41/03/08/890410308.db2.gz IFCCHGNFPOAUJH-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO CN(CCNCC(=O)NC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317654096 884233648 /nfs/dbraw/zinc/23/36/48/884233648.db2.gz IATUFJBUEPPTPC-SNVBAGLBSA-N 1 3 299.375 -1.429 20 0 CAADHO CN(CCNCC(=O)NC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317654096 884233662 /nfs/dbraw/zinc/23/36/62/884233662.db2.gz IATUFJBUEPPTPC-SNVBAGLBSA-N 1 3 299.375 -1.429 20 0 CAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCCO)CCC1 ZINC001320234729 884400044 /nfs/dbraw/zinc/40/00/44/884400044.db2.gz MMJINXKJJXQBGI-LLVKDONJSA-N 1 3 273.377 -1.080 20 0 CAADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001320273694 884407938 /nfs/dbraw/zinc/40/79/38/884407938.db2.gz NMCCWGFGQURZLD-IUCAKERBSA-N 1 3 260.338 -2.121 20 0 CAADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)N(C)C ZINC001320273693 884408293 /nfs/dbraw/zinc/40/82/93/884408293.db2.gz NMCCWGFGQURZLD-BDAKNGLRSA-N 1 3 260.338 -2.121 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321628541 884507417 /nfs/dbraw/zinc/50/74/17/884507417.db2.gz YIOWDTYHHVHYAI-SECBINFHSA-N 1 3 256.350 -1.092 20 0 CAADHO CNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001322042335 884536102 /nfs/dbraw/zinc/53/61/02/884536102.db2.gz QNEFZWSHDPVRQK-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO CN1CCN(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322733585 884574549 /nfs/dbraw/zinc/57/45/49/884574549.db2.gz YKPDPCKDSRUDKG-CYBMUJFWSA-N 1 3 283.420 -1.404 20 0 CAADHO CN1CCN(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322733585 884574561 /nfs/dbraw/zinc/57/45/61/884574561.db2.gz YKPDPCKDSRUDKG-CYBMUJFWSA-N 1 3 283.420 -1.404 20 0 CAADHO CCOC(=O)[C@@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC001326584739 884809981 /nfs/dbraw/zinc/80/99/81/884809981.db2.gz YRQLOZCBCCVGHT-LBPRGKRZSA-N 1 3 270.377 -1.272 20 0 CAADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001326807684 884835128 /nfs/dbraw/zinc/83/51/28/884835128.db2.gz SHROOCWTCGDXQT-TUAOUCFPSA-N 1 3 298.387 -1.453 20 0 CAADHO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1CNCCO1 ZINC001327018831 884853153 /nfs/dbraw/zinc/85/31/53/884853153.db2.gz UIMRYGHZFCFJBY-CABZTGNLSA-N 1 3 268.317 -1.351 20 0 CAADHO O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001327088812 884860853 /nfs/dbraw/zinc/86/08/53/884860853.db2.gz CVYUQLDDUMUTCX-CYBMUJFWSA-N 1 3 281.404 -1.602 20 0 CAADHO [NH3+]CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327470452 884890042 /nfs/dbraw/zinc/89/00/42/884890042.db2.gz AMCKUQNPJBCVOF-GFCCVEGCSA-N 1 3 298.387 -1.179 20 0 CAADHO [NH3+]CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327470453 884891544 /nfs/dbraw/zinc/89/15/44/884891544.db2.gz AMCKUQNPJBCVOF-LBPRGKRZSA-N 1 3 298.387 -1.179 20 0 CAADHO C[NH2+]CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327515758 884898426 /nfs/dbraw/zinc/89/84/26/884898426.db2.gz PYXRGIUITQFIAH-LBPRGKRZSA-N 1 3 298.387 -1.309 20 0 CAADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001327704769 884919812 /nfs/dbraw/zinc/91/98/12/884919812.db2.gz QCSWQBJIBSIDMP-LLVKDONJSA-N 1 3 269.345 -1.044 20 0 CAADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CCN(C)CC1 ZINC001327751848 884926114 /nfs/dbraw/zinc/92/61/14/884926114.db2.gz MDQPNOMHJVZGPN-CQSZACIVSA-N 1 3 297.447 -1.014 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1C[NH2+]CCO1 ZINC001328437784 884988708 /nfs/dbraw/zinc/98/87/08/884988708.db2.gz SDVXSMZSTMWPMS-WDEREUQCSA-N 1 3 257.334 -1.188 20 0 CAADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001328973299 885041915 /nfs/dbraw/zinc/04/19/15/885041915.db2.gz KSVRXFJTPMVASZ-GFCCVEGCSA-N 1 3 298.387 -1.309 20 0 CAADHO C[C@@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329594296 885120026 /nfs/dbraw/zinc/12/00/26/885120026.db2.gz WFTMDVGHUHLYCJ-KYXWUPHJSA-N 1 3 268.317 -1.273 20 0 CAADHO C[C@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329652498 885127512 /nfs/dbraw/zinc/12/75/12/885127512.db2.gz WFTMDVGHUHLYCJ-JLIMGVALSA-N 1 3 268.317 -1.273 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001330214964 885182802 /nfs/dbraw/zinc/18/28/02/885182802.db2.gz OBOHUEQHLHXIKP-GARJFASQSA-N 1 3 268.361 -1.046 20 0 CAADHO C([C@@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330584882 885206867 /nfs/dbraw/zinc/20/68/67/885206867.db2.gz PJCKSXVRGYVEFG-OLZOCXBDSA-N 1 3 254.378 -1.046 20 0 CAADHO CN1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330592288 885209510 /nfs/dbraw/zinc/20/95/10/885209510.db2.gz PAJDWBOQWSFHRW-NSHDSACASA-N 1 3 283.376 -1.156 20 0 CAADHO CN1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330592287 885209996 /nfs/dbraw/zinc/20/99/96/885209996.db2.gz PAJDWBOQWSFHRW-LLVKDONJSA-N 1 3 283.376 -1.156 20 0 CAADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001330859135 885234330 /nfs/dbraw/zinc/23/43/30/885234330.db2.gz BLTUTGXUXJULPP-SRVKXCTJSA-N 1 3 298.387 -1.181 20 0 CAADHO COC1(C(=O)NC[C@H]2CNCCO2)CC[NH2+]CC1 ZINC001332449590 885410704 /nfs/dbraw/zinc/41/07/04/885410704.db2.gz JIAVRSHWHPGEFO-SNVBAGLBSA-N 1 3 257.334 -1.140 20 0 CAADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566302 885421435 /nfs/dbraw/zinc/42/14/35/885421435.db2.gz NROVOGVCMYEKNN-NEPJUHHUSA-N 1 3 273.377 -1.271 20 0 CAADHO C[C@@H](NC(=O)CN1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001332753997 885436876 /nfs/dbraw/zinc/43/68/76/885436876.db2.gz AMKIKFNXTSPTQP-ZIAGYGMSSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@@H](NC(=O)CN1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001332753997 885436888 /nfs/dbraw/zinc/43/68/88/885436888.db2.gz AMKIKFNXTSPTQP-ZIAGYGMSSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](NC(=O)CN1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001332753991 885437013 /nfs/dbraw/zinc/43/70/13/885437013.db2.gz AMKIKFNXTSPTQP-KBPBESRZSA-N 1 3 297.447 -1.016 20 0 CAADHO C[C@H](NC(=O)CN1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001332753991 885437019 /nfs/dbraw/zinc/43/70/19/885437019.db2.gz AMKIKFNXTSPTQP-KBPBESRZSA-N 1 3 297.447 -1.016 20 0 CAADHO COCC[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001333177073 885460906 /nfs/dbraw/zinc/46/09/06/885460906.db2.gz BAVIRBJVWHDKJO-LLVKDONJSA-N 1 3 258.366 -1.286 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333179573 885464811 /nfs/dbraw/zinc/46/48/11/885464811.db2.gz UZCZFZHLHAOWRF-NSHDSACASA-N 1 3 288.392 -1.124 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333531616 885486421 /nfs/dbraw/zinc/48/64/21/885486421.db2.gz CMGZWBZMBUQCDS-ZCFIWIBFSA-N 1 3 254.294 -1.213 20 0 CAADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1[NH3+] ZINC001333616743 885497100 /nfs/dbraw/zinc/49/71/00/885497100.db2.gz NVGVWOHTNHJESA-WRWGMCAJSA-N 1 3 280.372 -1.046 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334004738 885516534 /nfs/dbraw/zinc/51/65/34/885516534.db2.gz CPAOFKDHXBYCES-AOOOYVTPSA-N 1 3 256.350 -1.140 20 0 CAADHO NS(=O)(=O)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC001335182403 885588796 /nfs/dbraw/zinc/58/87/96/885588796.db2.gz WBIJMZMVILACBD-SECBINFHSA-N 1 3 251.352 -1.428 20 0 CAADHO NS(=O)(=O)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC001335182410 885589904 /nfs/dbraw/zinc/58/99/04/885589904.db2.gz WBIJMZMVILACBD-VIFPVBQESA-N 1 3 251.352 -1.428 20 0 CAADHO CCN1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001335933603 885643505 /nfs/dbraw/zinc/64/35/05/885643505.db2.gz KNLQUJZHYYYTSP-UHFFFAOYSA-N 1 3 271.365 -1.202 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001336163282 885650653 /nfs/dbraw/zinc/65/06/53/885650653.db2.gz MWRJGZMNNDYDNQ-FOGDFJRCSA-N 1 3 256.350 -1.040 20 0 CAADHO COCC[NH2+]CCNC(=O)c1c(CN)cnn1C ZINC001336723447 885682447 /nfs/dbraw/zinc/68/24/47/885682447.db2.gz WAHUJCCPTUICGA-UHFFFAOYSA-N 1 3 255.322 -1.155 20 0 CAADHO NCc1nc2c(s1)CCN(C(=O)C1(O)C[NH2+]C1)C2 ZINC001337052107 885691145 /nfs/dbraw/zinc/69/11/45/885691145.db2.gz GMNZRKOQBNYXJH-UHFFFAOYSA-N 1 3 268.342 -1.179 20 0 CAADHO CN1CCNC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340947090 885820747 /nfs/dbraw/zinc/82/07/47/885820747.db2.gz ZWVLWTNGRKOHFU-MNOVXSKESA-N 1 3 256.350 -1.615 20 0 CAADHO [NH3+][C@@]1(CO)CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC001341116436 885827668 /nfs/dbraw/zinc/82/76/68/885827668.db2.gz PEAILAXWGGOJQU-JQWIXIFHSA-N 1 3 257.334 -1.323 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CNCC[NH3+] ZINC001342129666 885873206 /nfs/dbraw/zinc/87/32/06/885873206.db2.gz JDNARMWBEQBCAB-UHFFFAOYSA-N 1 3 273.381 -1.987 20 0 CAADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC001342190933 885877033 /nfs/dbraw/zinc/87/70/33/885877033.db2.gz YBRCKPUQFHTNGU-VHSXEESVSA-N 1 3 257.334 -1.596 20 0 CAADHO CN1CCNC[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC001342301879 885884004 /nfs/dbraw/zinc/88/40/04/885884004.db2.gz OAIVZUHDOOELTI-SNVBAGLBSA-N 1 3 256.350 -1.486 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664099 885894139 /nfs/dbraw/zinc/89/41/39/885894139.db2.gz KBDWKFHUGQAMGU-TUAOUCFPSA-N 1 3 252.362 -1.042 20 0 CAADHO COC(=O)CC[C@@H](N)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343578203 885921564 /nfs/dbraw/zinc/92/15/64/885921564.db2.gz XBZQPPGADHVBLT-LOKLDPHHSA-N 1 3 255.318 -1.057 20 0 CAADHO [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCCO1 ZINC001345897063 885973403 /nfs/dbraw/zinc/97/34/03/885973403.db2.gz SGDPFKCLDYVCNC-GHMZBOCLSA-N 1 3 257.334 -1.059 20 0 CAADHO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001347074860 886026187 /nfs/dbraw/zinc/02/61/87/886026187.db2.gz YIGVSVDKIPHCKE-PWSUYJOCSA-N 1 3 298.387 -1.181 20 0 CAADHO COCCNCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001349273236 886119153 /nfs/dbraw/zinc/11/91/53/886119153.db2.gz WMVZDEOCLJGKKG-NWDGAFQWSA-N 1 3 281.360 -1.091 20 0 CAADHO CCC[NH2+]CCNS(=O)(=O)N1CCNCC1 ZINC001350911108 886190329 /nfs/dbraw/zinc/19/03/29/886190329.db2.gz VGIOXQJTLSHOSQ-UHFFFAOYSA-N 1 3 250.368 -1.274 20 0 CAADHO COCCN(C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526856 886278786 /nfs/dbraw/zinc/27/87/86/886278786.db2.gz PPWSLUIDXGLMMQ-PWSUYJOCSA-N 1 3 259.350 -1.206 20 0 CAADHO COCCN(C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526858 886279101 /nfs/dbraw/zinc/27/91/01/886279101.db2.gz PPWSLUIDXGLMMQ-ZYHUDNBSSA-N 1 3 259.350 -1.206 20 0 CAADHO NCC(=O)NCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358214344 886422111 /nfs/dbraw/zinc/42/21/11/886422111.db2.gz SLYBWJYQWLGIRS-UHFFFAOYSA-N 1 3 285.392 -1.747 20 0 CAADHO NC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367595105 887406152 /nfs/dbraw/zinc/40/61/52/887406152.db2.gz UIQKXTUQVXUWCX-NSHDSACASA-N 1 3 298.387 -1.586 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367595103 887406542 /nfs/dbraw/zinc/40/65/42/887406542.db2.gz UIQKXTUQVXUWCX-LLVKDONJSA-N 1 3 298.387 -1.586 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001367595474 887407444 /nfs/dbraw/zinc/40/74/44/887407444.db2.gz RVEDEHLHDPMLSO-LLVKDONJSA-N 1 3 286.376 -1.717 20 0 CAADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001367915079 887438752 /nfs/dbraw/zinc/43/87/52/887438752.db2.gz YKYBBDATWAJSGI-SNVBAGLBSA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1 ZINC001368503294 887490581 /nfs/dbraw/zinc/49/05/81/887490581.db2.gz GCYZLMKCCCQDOR-GFCCVEGCSA-N 1 3 298.387 -1.370 20 0 CAADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679046 887497039 /nfs/dbraw/zinc/49/70/39/887497039.db2.gz OHNYDXGEZBATPR-LLVKDONJSA-N 1 3 298.387 -1.491 20 0 CAADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369390253 887566557 /nfs/dbraw/zinc/56/65/57/887566557.db2.gz ZZGLRBFEDNXCLR-NWDGAFQWSA-N 1 3 291.367 -1.009 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001369470366 887573020 /nfs/dbraw/zinc/57/30/20/887573020.db2.gz FNQPVZKRYRANTO-LLVKDONJSA-N 1 3 298.387 -1.491 20 0 CAADHO C[C@@H](NC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482930 887577448 /nfs/dbraw/zinc/57/74/48/887577448.db2.gz KNZIEBKULRAKEZ-MNOVXSKESA-N 1 3 298.387 -1.635 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001371186267 887652527 /nfs/dbraw/zinc/65/25/27/887652527.db2.gz JVGSVKRHZMKRCO-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001371186267 887652536 /nfs/dbraw/zinc/65/25/36/887652536.db2.gz JVGSVKRHZMKRCO-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001373790035 887767010 /nfs/dbraw/zinc/76/70/10/887767010.db2.gz JISOFNGQQRNBFW-VIFPVBQESA-N 1 3 287.364 -1.383 20 0 CAADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001373790032 887767430 /nfs/dbraw/zinc/76/74/30/887767430.db2.gz JISOFNGQQRNBFW-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374323461 887784213 /nfs/dbraw/zinc/78/42/13/887784213.db2.gz BREGLWZDMVQJBL-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374323461 887784216 /nfs/dbraw/zinc/78/42/16/887784216.db2.gz BREGLWZDMVQJBL-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001374641690 887819564 /nfs/dbraw/zinc/81/95/64/887819564.db2.gz KOUOLXZDRJPSGA-MRVPVSSYSA-N 1 3 289.336 -2.800 20 0 CAADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001374650596 887823540 /nfs/dbraw/zinc/82/35/40/887823540.db2.gz FIDJMJJOWJAQFG-MNOVXSKESA-N 1 3 286.376 -1.859 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001374900529 887851357 /nfs/dbraw/zinc/85/13/57/887851357.db2.gz YAVOHTAZLKGNCI-VIFPVBQESA-N 1 3 299.375 -1.240 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001376245189 887918672 /nfs/dbraw/zinc/91/86/72/887918672.db2.gz RPLRKVIRRSAJDG-JTQLQIEISA-N 1 3 299.375 -1.383 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001376843420 887963401 /nfs/dbraw/zinc/96/34/01/887963401.db2.gz MPGQCFQHYSFQOS-VXGBXAGGSA-N 1 3 298.387 -1.356 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379204941 888104384 /nfs/dbraw/zinc/10/43/84/888104384.db2.gz CUYKZTBLPFIWCU-NWDGAFQWSA-N 1 3 298.387 -1.859 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379204937 888105476 /nfs/dbraw/zinc/10/54/76/888105476.db2.gz CUYKZTBLPFIWCU-NEPJUHHUSA-N 1 3 298.387 -1.859 20 0 CAADHO CN1CC[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239171 888110407 /nfs/dbraw/zinc/11/04/07/888110407.db2.gz GJGZAKZXKUGQKM-MNOVXSKESA-N 1 3 286.376 -1.765 20 0 CAADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001379259100 888115015 /nfs/dbraw/zinc/11/50/15/888115015.db2.gz OAIPWCZTAILTNT-NXEZZACHSA-N 1 3 274.365 -1.861 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289006 888117356 /nfs/dbraw/zinc/11/73/56/888117356.db2.gz NOKPRJIZFBJPAX-RYUDHWBXSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289006 888117364 /nfs/dbraw/zinc/11/73/64/888117364.db2.gz NOKPRJIZFBJPAX-RYUDHWBXSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289009 888119591 /nfs/dbraw/zinc/11/95/91/888119591.db2.gz NOKPRJIZFBJPAX-VXGBXAGGSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001379289009 888119593 /nfs/dbraw/zinc/11/95/93/888119593.db2.gz NOKPRJIZFBJPAX-VXGBXAGGSA-N 1 3 298.387 -1.763 20 0 CAADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379293605 888121705 /nfs/dbraw/zinc/12/17/05/888121705.db2.gz XEJSCHPHKBVTSO-DGCLKSJQSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379293605 888121711 /nfs/dbraw/zinc/12/17/11/888121711.db2.gz XEJSCHPHKBVTSO-DGCLKSJQSA-N 1 3 295.387 -1.062 20 0 CAADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413661 888139569 /nfs/dbraw/zinc/13/95/69/888139569.db2.gz QDTSDCWWNHZJSF-RYUDHWBXSA-N 1 3 273.377 -1.080 20 0 CAADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409758 888140708 /nfs/dbraw/zinc/14/07/08/888140708.db2.gz XFYGRVIEFLBZJM-VXGBXAGGSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001379416626 888140799 /nfs/dbraw/zinc/14/07/99/888140799.db2.gz LNHMGCZUZQUMIT-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]CCO)N1CCCC1 ZINC001379460213 888145640 /nfs/dbraw/zinc/14/56/40/888145640.db2.gz FNTRFLFEBAKPGX-LLVKDONJSA-N 1 3 273.377 -1.080 20 0 CAADHO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379474335 888149072 /nfs/dbraw/zinc/14/90/72/888149072.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 1 3 286.376 -1.717 20 0 CAADHO CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379474339 888150623 /nfs/dbraw/zinc/15/06/23/888150623.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380921915 888235087 /nfs/dbraw/zinc/23/50/87/888235087.db2.gz WGEJJBCEJJGCCA-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)N(C)C ZINC001382397270 888346945 /nfs/dbraw/zinc/34/69/45/888346945.db2.gz AMBWPYOWEMXIRX-WDEREUQCSA-N 1 3 288.392 -1.519 20 0 CAADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746980 888643136 /nfs/dbraw/zinc/64/31/36/888643136.db2.gz DHAHAEXXZZVOOQ-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746980 888643138 /nfs/dbraw/zinc/64/31/38/888643138.db2.gz DHAHAEXXZZVOOQ-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746978 888643547 /nfs/dbraw/zinc/64/35/47/888643547.db2.gz DHAHAEXXZZVOOQ-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001391746978 888643554 /nfs/dbraw/zinc/64/35/54/888643554.db2.gz DHAHAEXXZZVOOQ-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001392377469 888690250 /nfs/dbraw/zinc/69/02/50/888690250.db2.gz SGXBUDRRCHWDJS-NXEZZACHSA-N 1 3 286.376 -1.589 20 0 CAADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001392377475 888690618 /nfs/dbraw/zinc/69/06/18/888690618.db2.gz SGXBUDRRCHWDJS-ZJUUUORDSA-N 1 3 286.376 -1.589 20 0 CAADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392392303 888694343 /nfs/dbraw/zinc/69/43/43/888694343.db2.gz KAPDKTLCFRQUAR-CMPLNLGQSA-N 1 3 288.392 -1.615 20 0 CAADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+](C)C ZINC001392420993 888703209 /nfs/dbraw/zinc/70/32/09/888703209.db2.gz KQGTWQPSWOERPL-KOLCDFICSA-N 1 3 274.365 -1.875 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001392425619 888704779 /nfs/dbraw/zinc/70/47/79/888704779.db2.gz YPJNIXRKQYWTQY-SCZZXKLOSA-N 1 3 270.333 -1.292 20 0 CAADHO O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422387 888705775 /nfs/dbraw/zinc/70/57/75/888705775.db2.gz KHTHKQPNBJLYBZ-GHMZBOCLSA-N 1 3 296.371 -1.963 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001392425613 888706074 /nfs/dbraw/zinc/70/60/74/888706074.db2.gz YPJNIXRKQYWTQY-PSASIEDQSA-N 1 3 270.333 -1.292 20 0 CAADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001392427037 888706732 /nfs/dbraw/zinc/70/67/32/888706732.db2.gz LJRDUYOGZLBBJA-SNVBAGLBSA-N 1 3 274.365 -1.861 20 0 CAADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001392425624 888707585 /nfs/dbraw/zinc/70/75/85/888707585.db2.gz YPJNIXRKQYWTQY-WCBMZHEXSA-N 1 3 270.333 -1.292 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392478652 888716108 /nfs/dbraw/zinc/71/61/08/888716108.db2.gz YOCSSHOMVSRDJQ-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392478652 888716112 /nfs/dbraw/zinc/71/61/12/888716112.db2.gz YOCSSHOMVSRDJQ-OPRDCNLKSA-N 1 3 299.375 -1.384 20 0 CAADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392613755 888727628 /nfs/dbraw/zinc/72/76/28/888727628.db2.gz MGKKEGTXFRXITQ-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392613755 888727640 /nfs/dbraw/zinc/72/76/40/888727640.db2.gz MGKKEGTXFRXITQ-VHSXEESVSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392613731 888728121 /nfs/dbraw/zinc/72/81/21/888728121.db2.gz MGKKEGTXFRXITQ-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392613731 888728128 /nfs/dbraw/zinc/72/81/28/888728128.db2.gz MGKKEGTXFRXITQ-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N(C)C ZINC001393284903 888771692 /nfs/dbraw/zinc/77/16/92/888771692.db2.gz ONSNNKMJYXAYKL-DGCLKSJQSA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N(C)C ZINC001393284903 888771700 /nfs/dbraw/zinc/77/17/00/888771700.db2.gz ONSNNKMJYXAYKL-DGCLKSJQSA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)N(C)C ZINC001393284910 888772829 /nfs/dbraw/zinc/77/28/29/888772829.db2.gz ONSNNKMJYXAYKL-YPMHNXCESA-N 1 3 273.377 -1.128 20 0 CAADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N(C)C ZINC001393284910 888772842 /nfs/dbraw/zinc/77/28/42/888772842.db2.gz ONSNNKMJYXAYKL-YPMHNXCESA-N 1 3 273.377 -1.128 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001393587806 888794896 /nfs/dbraw/zinc/79/48/96/888794896.db2.gz TUNPTFGXJSDEKK-WDEREUQCSA-N 1 3 284.360 -1.760 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001393587806 888794910 /nfs/dbraw/zinc/79/49/10/888794910.db2.gz TUNPTFGXJSDEKK-WDEREUQCSA-N 1 3 284.360 -1.760 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001393587805 888796291 /nfs/dbraw/zinc/79/62/91/888796291.db2.gz TUNPTFGXJSDEKK-QWRGUYRKSA-N 1 3 284.360 -1.760 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001393587805 888796298 /nfs/dbraw/zinc/79/62/98/888796298.db2.gz TUNPTFGXJSDEKK-QWRGUYRKSA-N 1 3 284.360 -1.760 20 0 CAADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580018 888796314 /nfs/dbraw/zinc/79/63/14/888796314.db2.gz AJVXPCHZLHIXAU-QWRGUYRKSA-N 1 3 286.376 -1.371 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001393778590 888804809 /nfs/dbraw/zinc/80/48/09/888804809.db2.gz VNGXZWMOZXNWLB-LLVKDONJSA-N 1 3 298.387 -1.634 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001393778590 888804823 /nfs/dbraw/zinc/80/48/23/888804823.db2.gz VNGXZWMOZXNWLB-LLVKDONJSA-N 1 3 298.387 -1.634 20 0 CAADHO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CN(C)C1CCC1 ZINC001394743506 888888968 /nfs/dbraw/zinc/88/89/68/888888968.db2.gz RWCBZMDPQPPJRJ-NSHDSACASA-N 1 3 286.376 -1.635 20 0 CAADHO C[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762705 888892756 /nfs/dbraw/zinc/89/27/56/888892756.db2.gz QJLJXKIEZITAFU-VHSXEESVSA-N 1 3 274.365 -1.779 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001394765691 888893454 /nfs/dbraw/zinc/89/34/54/888893454.db2.gz RNFKCKHSKFLDFV-JTQLQIEISA-N 1 3 274.365 -1.779 20 0 CAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399183847 889036431 /nfs/dbraw/zinc/03/64/31/889036431.db2.gz HLIQVMMMDQEPOJ-JTQLQIEISA-N 1 3 299.375 -1.416 20 0 CAADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001401204021 889132790 /nfs/dbraw/zinc/13/27/90/889132790.db2.gz QGKIWLAWQNJFDZ-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564125 889156535 /nfs/dbraw/zinc/15/65/35/889156535.db2.gz VSEPFXSXSNFHKD-ONGXEEELSA-N 1 3 286.376 -1.731 20 0 CAADHO C[C@@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564122 889156410 /nfs/dbraw/zinc/15/64/10/889156410.db2.gz VSEPFXSXSNFHKD-KOLCDFICSA-N 1 3 286.376 -1.731 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401568173 889159768 /nfs/dbraw/zinc/15/97/68/889159768.db2.gz ZXJQEEJCAONSLZ-ZJUUUORDSA-N 1 3 272.349 -2.107 20 0 CAADHO C[C@@H](NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567122 889161875 /nfs/dbraw/zinc/16/18/75/889161875.db2.gz KHEVDIMRTULPSX-ZJUUUORDSA-N 1 3 286.376 -1.731 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401574956 889163533 /nfs/dbraw/zinc/16/35/33/889163533.db2.gz FCBVZDSIZNFPPH-WDEREUQCSA-N 1 3 286.376 -1.907 20 0 CAADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401574956 889163535 /nfs/dbraw/zinc/16/35/35/889163535.db2.gz FCBVZDSIZNFPPH-WDEREUQCSA-N 1 3 286.376 -1.907 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401574949 889165414 /nfs/dbraw/zinc/16/54/14/889165414.db2.gz FCBVZDSIZNFPPH-QWRGUYRKSA-N 1 3 286.376 -1.907 20 0 CAADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401574949 889165423 /nfs/dbraw/zinc/16/54/23/889165423.db2.gz FCBVZDSIZNFPPH-QWRGUYRKSA-N 1 3 286.376 -1.907 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401652659 889174115 /nfs/dbraw/zinc/17/41/15/889174115.db2.gz NQYZNKOTLWIIGP-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401652659 889174127 /nfs/dbraw/zinc/17/41/27/889174127.db2.gz NQYZNKOTLWIIGP-NXEZZACHSA-N 1 3 299.375 -1.383 20 0 CAADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001401676942 889175685 /nfs/dbraw/zinc/17/56/85/889175685.db2.gz YRCQABVYCJRQMM-SECBINFHSA-N 1 3 287.364 -1.384 20 0 CAADHO C[NH+](C)CCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001402239963 889212477 /nfs/dbraw/zinc/21/24/77/889212477.db2.gz CHUZCWSUJIHJFP-UHFFFAOYSA-N 1 3 286.376 -1.322 20 0 CAADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001402545214 889248810 /nfs/dbraw/zinc/24/88/10/889248810.db2.gz ATCAFHCZSQGWSS-MGCOHNPYSA-N 1 3 299.375 -1.242 20 0 CAADHO CNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402613302 889255379 /nfs/dbraw/zinc/25/53/79/889255379.db2.gz YQECTQONWUXGQW-LLVKDONJSA-N 1 3 286.376 -1.499 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403848323 889373510 /nfs/dbraw/zinc/37/35/10/889373510.db2.gz VUFCURHKVQVXRF-RYUDHWBXSA-N 1 3 298.387 -1.778 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001406253198 889497649 /nfs/dbraw/zinc/49/76/49/889497649.db2.gz XEWHXHOODCZQJF-GHMZBOCLSA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001406253198 889497657 /nfs/dbraw/zinc/49/76/57/889497657.db2.gz XEWHXHOODCZQJF-GHMZBOCLSA-N 1 3 286.376 -1.587 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001406262639 889500802 /nfs/dbraw/zinc/50/08/02/889500802.db2.gz XCQTUZYUBNEJHN-NWDGAFQWSA-N 1 3 298.387 -1.717 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001406262631 889503001 /nfs/dbraw/zinc/50/30/01/889503001.db2.gz XCQTUZYUBNEJHN-NEPJUHHUSA-N 1 3 298.387 -1.717 20 0 CAADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001406275508 889507687 /nfs/dbraw/zinc/50/76/87/889507687.db2.gz CGDVUQVGHCGSCZ-OLZOCXBDSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001406275508 889507694 /nfs/dbraw/zinc/50/76/94/889507694.db2.gz CGDVUQVGHCGSCZ-OLZOCXBDSA-N 1 3 295.387 -1.062 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301185 889509686 /nfs/dbraw/zinc/50/96/86/889509686.db2.gz KTSAWXRAIAJWTD-LLVKDONJSA-N 1 3 288.392 -1.519 20 0 CAADHO O=C(NC[C@@]1(O)CCN(CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373842 889567247 /nfs/dbraw/zinc/56/72/47/889567247.db2.gz QCDJAQQNIHYXCY-AWEZNQCLSA-N 1 3 283.372 -1.373 20 0 CAADHO NC(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001407865146 889593669 /nfs/dbraw/zinc/59/36/69/889593669.db2.gz LJGJDAVCPFSJCN-LLVKDONJSA-N 1 3 296.371 -1.616 20 0 CAADHO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410646807 889694485 /nfs/dbraw/zinc/69/44/85/889694485.db2.gz DEHFTWRPICUBSO-MNOVXSKESA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844053 889722442 /nfs/dbraw/zinc/72/24/42/889722442.db2.gz CYZKHMMERGWWGE-UWVGGRQHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844063 889722673 /nfs/dbraw/zinc/72/26/73/889722673.db2.gz CYZKHMMERGWWGE-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069145 889730445 /nfs/dbraw/zinc/73/04/45/889730445.db2.gz CNEFBBGIAHWSCG-MNOVXSKESA-N 1 3 286.376 -1.765 20 0 CAADHO CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069173 889730994 /nfs/dbraw/zinc/73/09/94/889730994.db2.gz CNEFBBGIAHWSCG-WDEREUQCSA-N 1 3 286.376 -1.765 20 0 CAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1nnc(N)n1 ZINC001412328823 889812655 /nfs/dbraw/zinc/81/26/55/889812655.db2.gz IJVGPOREIAXRMU-JTQLQIEISA-N 1 3 298.395 -1.357 20 0 CAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1nnc(N)n1 ZINC001412328823 889812665 /nfs/dbraw/zinc/81/26/65/889812665.db2.gz IJVGPOREIAXRMU-JTQLQIEISA-N 1 3 298.395 -1.357 20 0 CAADHO CC[NH+]1CCN([C@H](C)CNC(=O)C2(O)COC2)CC1 ZINC001417637219 890150056 /nfs/dbraw/zinc/15/00/56/890150056.db2.gz NNWSRWAVJYDPKH-LLVKDONJSA-N 1 3 271.361 -1.110 20 0 CAADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CCOC1 ZINC001417639165 890150474 /nfs/dbraw/zinc/15/04/74/890150474.db2.gz VTUHCCUNNTVNCP-DGCLKSJQSA-N 1 3 271.361 -1.110 20 0 CAADHO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CCOC1 ZINC001417639166 890150811 /nfs/dbraw/zinc/15/08/11/890150811.db2.gz VTUHCCUNNTVNCP-WCQYABFASA-N 1 3 271.361 -1.110 20 0 CAADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001418103012 890190963 /nfs/dbraw/zinc/19/09/63/890190963.db2.gz HFHRRBWEDDBJJO-AEJSXWLSSA-N 1 3 299.375 -1.242 20 0 CAADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001418234176 890199122 /nfs/dbraw/zinc/19/91/22/890199122.db2.gz GXXLDUMWNFJIOT-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320659 890206675 /nfs/dbraw/zinc/20/66/75/890206675.db2.gz VJVOPVLUMFDYNY-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001418320659 890206689 /nfs/dbraw/zinc/20/66/89/890206689.db2.gz VJVOPVLUMFDYNY-RKDXNWHRSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001418818543 890265966 /nfs/dbraw/zinc/26/59/66/890265966.db2.gz VHPSNZULCPDVSV-VHSXEESVSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001418818535 890267204 /nfs/dbraw/zinc/26/72/04/890267204.db2.gz VHPSNZULCPDVSV-NXEZZACHSA-N 1 3 299.375 -1.288 20 0 CAADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(N)=O ZINC001418818548 890268207 /nfs/dbraw/zinc/26/82/07/890268207.db2.gz VHPSNZULCPDVSV-ZJUUUORDSA-N 1 3 299.375 -1.288 20 0 CAADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001419380686 890321289 /nfs/dbraw/zinc/32/12/89/890321289.db2.gz MHGURPPKTIFXKU-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001419380686 890321306 /nfs/dbraw/zinc/32/13/06/890321306.db2.gz MHGURPPKTIFXKU-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001419710768 890346559 /nfs/dbraw/zinc/34/65/59/890346559.db2.gz LUDJGNDGMYTHFO-SECBINFHSA-N 1 3 287.364 -1.431 20 0 CAADHO CC(C)(C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCC1 ZINC001420152348 890403512 /nfs/dbraw/zinc/40/35/12/890403512.db2.gz BVCGAHLHHKITMX-JTQLQIEISA-N 1 3 286.376 -1.587 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195982 890411324 /nfs/dbraw/zinc/41/13/24/890411324.db2.gz ZGKBOFHEWQKFGY-PWSUYJOCSA-N 1 3 298.387 -1.717 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195982 890411338 /nfs/dbraw/zinc/41/13/38/890411338.db2.gz ZGKBOFHEWQKFGY-PWSUYJOCSA-N 1 3 298.387 -1.717 20 0 CAADHO CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420193047 890412125 /nfs/dbraw/zinc/41/21/25/890412125.db2.gz IFCCHGNFPOAUJH-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420193047 890412131 /nfs/dbraw/zinc/41/21/31/890412131.db2.gz IFCCHGNFPOAUJH-QWRGUYRKSA-N 1 3 286.376 -1.717 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195980 890412231 /nfs/dbraw/zinc/41/22/31/890412231.db2.gz ZGKBOFHEWQKFGY-CMPLNLGQSA-N 1 3 298.387 -1.717 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1 ZINC001420195980 890412234 /nfs/dbraw/zinc/41/22/34/890412234.db2.gz ZGKBOFHEWQKFGY-CMPLNLGQSA-N 1 3 298.387 -1.717 20 0 CAADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421184494 890492267 /nfs/dbraw/zinc/49/22/67/890492267.db2.gz COFLHCHGJWJNFD-OLZOCXBDSA-N 1 3 285.388 -1.007 20 0 CAADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421184494 890492272 /nfs/dbraw/zinc/49/22/72/890492272.db2.gz COFLHCHGJWJNFD-OLZOCXBDSA-N 1 3 285.388 -1.007 20 0 CAADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421184500 890492292 /nfs/dbraw/zinc/49/22/92/890492292.db2.gz COFLHCHGJWJNFD-QWHCGFSZSA-N 1 3 285.388 -1.007 20 0 CAADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421184500 890492297 /nfs/dbraw/zinc/49/22/97/890492297.db2.gz COFLHCHGJWJNFD-QWHCGFSZSA-N 1 3 285.388 -1.007 20 0 CAADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001421983705 890547062 /nfs/dbraw/zinc/54/70/62/890547062.db2.gz BYNROMOPXHMHKM-JTQLQIEISA-N 1 3 299.375 -1.286 20 0 CAADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422319532 890575599 /nfs/dbraw/zinc/57/55/99/890575599.db2.gz LACYHIBNIFZZPC-WDEREUQCSA-N 1 3 286.376 -1.587 20 0 CAADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422319532 890575610 /nfs/dbraw/zinc/57/56/10/890575610.db2.gz LACYHIBNIFZZPC-WDEREUQCSA-N 1 3 286.376 -1.587 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422345019 890580922 /nfs/dbraw/zinc/58/09/22/890580922.db2.gz IQMFQLPSQRUHPN-LLVKDONJSA-N 1 3 286.376 -1.763 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422345022 890581637 /nfs/dbraw/zinc/58/16/37/890581637.db2.gz IQMFQLPSQRUHPN-NSHDSACASA-N 1 3 286.376 -1.763 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001422400851 890586624 /nfs/dbraw/zinc/58/66/24/890586624.db2.gz PSZACIDSZALDSO-NXEZZACHSA-N 1 3 272.349 -2.120 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001422400851 890586633 /nfs/dbraw/zinc/58/66/33/890586633.db2.gz PSZACIDSZALDSO-NXEZZACHSA-N 1 3 272.349 -2.120 20 0 CAADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422399345 890586789 /nfs/dbraw/zinc/58/67/89/890586789.db2.gz AXPPWZMVLYLVCP-WCQYABFASA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422399345 890586800 /nfs/dbraw/zinc/58/68/00/890586800.db2.gz AXPPWZMVLYLVCP-WCQYABFASA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422399343 890588619 /nfs/dbraw/zinc/58/86/19/890588619.db2.gz AXPPWZMVLYLVCP-DGCLKSJQSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422399343 890588621 /nfs/dbraw/zinc/58/86/21/890588621.db2.gz AXPPWZMVLYLVCP-DGCLKSJQSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422399342 890588751 /nfs/dbraw/zinc/58/87/51/890588751.db2.gz AXPPWZMVLYLVCP-AAEUAGOBSA-N 1 3 295.387 -1.062 20 0 CAADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422399342 890588753 /nfs/dbraw/zinc/58/87/53/890588753.db2.gz AXPPWZMVLYLVCP-AAEUAGOBSA-N 1 3 295.387 -1.062 20 0 CAADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001422698173 890609911 /nfs/dbraw/zinc/60/99/11/890609911.db2.gz SZUBPKBXSFSZSQ-VIFPVBQESA-N 1 3 287.364 -1.512 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001423731741 890688867 /nfs/dbraw/zinc/68/88/67/890688867.db2.gz VVBSSGYLOOWYHU-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001423731741 890688874 /nfs/dbraw/zinc/68/88/74/890688874.db2.gz VVBSSGYLOOWYHU-LLVKDONJSA-N 1 3 298.387 -1.322 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001423731742 890690637 /nfs/dbraw/zinc/69/06/37/890690637.db2.gz VVBSSGYLOOWYHU-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001423731742 890690641 /nfs/dbraw/zinc/69/06/41/890690641.db2.gz VVBSSGYLOOWYHU-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768416 890692088 /nfs/dbraw/zinc/69/20/88/890692088.db2.gz TYMXWNLUCMLZDF-HIFRSBDPSA-N 1 3 297.399 -1.127 20 0 CAADHO O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768424 890693084 /nfs/dbraw/zinc/69/30/84/890693084.db2.gz TYMXWNLUCMLZDF-ZFWWWQNUSA-N 1 3 297.399 -1.127 20 0 CAADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001424235482 890725825 /nfs/dbraw/zinc/72/58/25/890725825.db2.gz HDNVNSYIJMOZDV-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001424235482 890725835 /nfs/dbraw/zinc/72/58/35/890725835.db2.gz HDNVNSYIJMOZDV-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001424235480 890726416 /nfs/dbraw/zinc/72/64/16/890726416.db2.gz HDNVNSYIJMOZDV-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001424235480 890726428 /nfs/dbraw/zinc/72/64/28/890726428.db2.gz HDNVNSYIJMOZDV-LLVKDONJSA-N 1 3 286.376 -1.370 20 0 CAADHO C[NH+](C)CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001424227796 890728219 /nfs/dbraw/zinc/72/82/19/890728219.db2.gz JBZRDZGHKITIDB-SNVBAGLBSA-N 1 3 272.349 -1.760 20 0 CAADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001437203281 891167734 /nfs/dbraw/zinc/16/77/34/891167734.db2.gz RLIAWGGVLKNEPB-MRVPVSSYSA-N 1 3 273.337 -1.773 20 0 CAADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(N)=O ZINC001437203294 891168669 /nfs/dbraw/zinc/16/86/69/891168669.db2.gz RLIAWGGVLKNEPB-QMMMGPOBSA-N 1 3 273.337 -1.773 20 0 CAADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001437196921 891169106 /nfs/dbraw/zinc/16/91/06/891169106.db2.gz FYXBVJBTASRZFW-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851348 891196412 /nfs/dbraw/zinc/19/64/12/891196412.db2.gz XFVJOCFWRUHHBU-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851348 891196416 /nfs/dbraw/zinc/19/64/16/891196416.db2.gz XFVJOCFWRUHHBU-ZJUUUORDSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851330 891197672 /nfs/dbraw/zinc/19/76/72/891197672.db2.gz XFVJOCFWRUHHBU-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851330 891197682 /nfs/dbraw/zinc/19/76/82/891197682.db2.gz XFVJOCFWRUHHBU-NXEZZACHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851343 891197761 /nfs/dbraw/zinc/19/77/61/891197761.db2.gz XFVJOCFWRUHHBU-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851343 891197774 /nfs/dbraw/zinc/19/77/74/891197774.db2.gz XFVJOCFWRUHHBU-VHSXEESVSA-N 1 3 299.375 -1.431 20 0 CAADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438996516 891258630 /nfs/dbraw/zinc/25/86/30/891258630.db2.gz PNVPDSOQRMEJBK-QWRGUYRKSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438996516 891258645 /nfs/dbraw/zinc/25/86/45/891258645.db2.gz PNVPDSOQRMEJBK-QWRGUYRKSA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438996515 891261456 /nfs/dbraw/zinc/26/14/56/891261456.db2.gz PNVPDSOQRMEJBK-MNOVXSKESA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438996515 891261467 /nfs/dbraw/zinc/26/14/67/891261467.db2.gz PNVPDSOQRMEJBK-MNOVXSKESA-N 1 3 286.376 -1.589 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439061400 891278648 /nfs/dbraw/zinc/27/86/48/891278648.db2.gz UZPGNIYJMMLCTR-VHSXEESVSA-N 1 3 274.365 -1.733 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439061402 891279683 /nfs/dbraw/zinc/27/96/83/891279683.db2.gz UZPGNIYJMMLCTR-ZJUUUORDSA-N 1 3 274.365 -1.733 20 0 CAADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001439177331 891286851 /nfs/dbraw/zinc/28/68/51/891286851.db2.gz XACPDSYBDJLYML-SECBINFHSA-N 1 3 287.364 -1.383 20 0 CAADHO C[NH+](C)CCC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001440210682 891362730 /nfs/dbraw/zinc/36/27/30/891362730.db2.gz XQBIQNYNBDARLI-NSHDSACASA-N 1 3 286.376 -1.763 20 0 CAADHO C[C@H](NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001440204869 891362870 /nfs/dbraw/zinc/36/28/70/891362870.db2.gz JNHGXHDAYQFYKO-NSHDSACASA-N 1 3 298.387 -1.634 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001440378731 891371175 /nfs/dbraw/zinc/37/11/75/891371175.db2.gz VAHPJYFJRAPBIW-NWDGAFQWSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001440378731 891371186 /nfs/dbraw/zinc/37/11/86/891371186.db2.gz VAHPJYFJRAPBIW-NWDGAFQWSA-N 1 3 298.387 -1.370 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661072 891423956 /nfs/dbraw/zinc/42/39/56/891423956.db2.gz SKCKUPYARDICSN-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001441661072 891423960 /nfs/dbraw/zinc/42/39/60/891423960.db2.gz SKCKUPYARDICSN-UWVGGRQHSA-N 1 3 299.375 -1.431 20 0 CAADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001441949744 891466023 /nfs/dbraw/zinc/46/60/23/891466023.db2.gz ZLQIXPUZCCEYLZ-VIFPVBQESA-N 1 3 287.364 -1.512 20 0 CAADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(N)=O ZINC001441951935 891466137 /nfs/dbraw/zinc/46/61/37/891466137.db2.gz YWNZQUQNSBVXQC-VIFPVBQESA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942482 891466205 /nfs/dbraw/zinc/46/62/05/891466205.db2.gz CJUROZJICNZOMF-UWVGGRQHSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(N)=O ZINC001441941880 891466225 /nfs/dbraw/zinc/46/62/25/891466225.db2.gz QPUGJBWACLLEJE-SECBINFHSA-N 1 3 299.375 -1.383 20 0 CAADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445176051 891613305 /nfs/dbraw/zinc/61/33/05/891613305.db2.gz GSNSJGAUBBGXKL-GHMZBOCLSA-N 1 3 284.360 -2.120 20 0 CAADHO C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001445225004 891621866 /nfs/dbraw/zinc/62/18/66/891621866.db2.gz LWQLKSNZKLJYEO-WDEREUQCSA-N 1 3 286.376 -1.717 20 0 CAADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445273800 891624473 /nfs/dbraw/zinc/62/44/73/891624473.db2.gz RELCYWSBIKYRIR-GHMZBOCLSA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445273800 891624480 /nfs/dbraw/zinc/62/44/80/891624480.db2.gz RELCYWSBIKYRIR-GHMZBOCLSA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445273807 891625602 /nfs/dbraw/zinc/62/56/02/891625602.db2.gz RELCYWSBIKYRIR-QWRGUYRKSA-N 1 3 286.376 -1.859 20 0 CAADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445273807 891625611 /nfs/dbraw/zinc/62/56/11/891625611.db2.gz RELCYWSBIKYRIR-QWRGUYRKSA-N 1 3 286.376 -1.859 20 0 CAADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445431843 891636103 /nfs/dbraw/zinc/63/61/03/891636103.db2.gz CBEOKUGSLGSLHN-MRVPVSSYSA-N 1 3 273.337 -1.773 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@H+]1C ZINC001446770742 891691342 /nfs/dbraw/zinc/69/13/42/891691342.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 1 3 285.388 -1.128 20 0 CAADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC[N@@H+]1C ZINC001446770742 891691333 /nfs/dbraw/zinc/69/13/33/891691333.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 1 3 285.388 -1.128 20 0 CAADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449144403 891832399 /nfs/dbraw/zinc/83/23/99/891832399.db2.gz HEJCIKVAYYQYCS-NSHDSACASA-N 1 3 286.376 -1.778 20 0 CAADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163370 891837623 /nfs/dbraw/zinc/83/76/23/891837623.db2.gz UNHZZTSHSDRMSW-QWRGUYRKSA-N 1 3 286.376 -1.778 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201956 891841280 /nfs/dbraw/zinc/84/12/80/891841280.db2.gz ZMOMGBLWKXTBFE-MNOVXSKESA-N 1 3 288.392 -1.391 20 0 CAADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449249318 891845158 /nfs/dbraw/zinc/84/51/58/891845158.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 1 3 273.377 -1.319 20 0 CAADHO CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449249318 891845176 /nfs/dbraw/zinc/84/51/76/891845176.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 1 3 273.377 -1.319 20 0 CAADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001480144362 892501403 /nfs/dbraw/zinc/50/14/03/892501403.db2.gz HFHRRBWEDDBJJO-OPRDCNLKSA-N 1 3 299.375 -1.242 20 0 CAADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NCC(N)=O ZINC001480551980 892528682 /nfs/dbraw/zinc/52/86/82/892528682.db2.gz AUULUXRKNZYXIV-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001482737490 892679707 /nfs/dbraw/zinc/67/97/07/892679707.db2.gz NTNCEWPJMZAWDT-PWSUYJOCSA-N 1 3 273.377 -1.082 20 0 CAADHO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001482737488 892679842 /nfs/dbraw/zinc/67/98/42/892679842.db2.gz NTNCEWPJMZAWDT-CMPLNLGQSA-N 1 3 273.377 -1.082 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001482763503 892692602 /nfs/dbraw/zinc/69/26/02/892692602.db2.gz VOKYZWOHXGRVQA-WDEREUQCSA-N 1 3 298.387 -1.717 20 0 CAADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767484 892696061 /nfs/dbraw/zinc/69/60/61/892696061.db2.gz NNAUXWQSHDOCJA-VHSXEESVSA-N 1 3 272.349 -2.120 20 0 CAADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001482774638 892698903 /nfs/dbraw/zinc/69/89/03/892698903.db2.gz LXZZRLBVSNORFU-LLVKDONJSA-N 1 3 286.376 -1.730 20 0 CAADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162997 892736546 /nfs/dbraw/zinc/73/65/46/892736546.db2.gz SZUBPKBXSFSZSQ-SECBINFHSA-N 1 3 287.364 -1.512 20 0 CAADHO CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298535 893041380 /nfs/dbraw/zinc/04/13/80/893041380.db2.gz QSRUTTSLFZXQNF-WDEREUQCSA-N 1 3 288.392 -1.519 20 0 CAADHO CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298534 893043401 /nfs/dbraw/zinc/04/34/01/893043401.db2.gz QSRUTTSLFZXQNF-QWRGUYRKSA-N 1 3 288.392 -1.519 20 0 CAADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486317386 893053020 /nfs/dbraw/zinc/05/30/20/893053020.db2.gz HFDKJUJZEDIWSQ-LLVKDONJSA-N 1 3 261.366 -1.272 20 0 CAADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486498799 893075920 /nfs/dbraw/zinc/07/59/20/893075920.db2.gz GQCUCDZTTNIPAM-LLVKDONJSA-N 1 3 286.376 -1.512 20 0 CAADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486498799 893075942 /nfs/dbraw/zinc/07/59/42/893075942.db2.gz GQCUCDZTTNIPAM-LLVKDONJSA-N 1 3 286.376 -1.512 20 0 CAADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O ZINC001491643386 893302472 /nfs/dbraw/zinc/30/24/72/893302472.db2.gz ZCBPLVNKNYABBL-SECBINFHSA-N 1 3 297.359 -1.629 20 0 CAADHO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCN1C ZINC001493499041 893399433 /nfs/dbraw/zinc/39/94/33/893399433.db2.gz GGHOULRSJSIMDG-QWRGUYRKSA-N 1 3 296.371 -1.066 20 0 CAADHO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCN1C ZINC001493499034 893400322 /nfs/dbraw/zinc/40/03/22/893400322.db2.gz GGHOULRSJSIMDG-GHMZBOCLSA-N 1 3 296.371 -1.066 20 0 CAADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229457 893511449 /nfs/dbraw/zinc/51/14/49/893511449.db2.gz IEGWRTPXXVOSMU-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496229457 893511466 /nfs/dbraw/zinc/51/14/66/893511466.db2.gz IEGWRTPXXVOSMU-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229460 893514704 /nfs/dbraw/zinc/51/47/04/893514704.db2.gz IEGWRTPXXVOSMU-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496229460 893514723 /nfs/dbraw/zinc/51/47/23/893514723.db2.gz IEGWRTPXXVOSMU-ZJUUUORDSA-N 1 3 256.350 -1.140 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497091010 893602355 /nfs/dbraw/zinc/60/23/55/893602355.db2.gz CXCOZJIHBFCIRB-GHMZBOCLSA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497091010 893602359 /nfs/dbraw/zinc/60/23/59/893602359.db2.gz CXCOZJIHBFCIRB-GHMZBOCLSA-N 1 3 286.376 -1.859 20 0 CAADHO CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092326 893604141 /nfs/dbraw/zinc/60/41/41/893604141.db2.gz QLYIWMWZUQXOEI-QWRGUYRKSA-N 1 3 298.387 -1.717 20 0 CAADHO CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092325 893606198 /nfs/dbraw/zinc/60/61/98/893606198.db2.gz QLYIWMWZUQXOEI-MNOVXSKESA-N 1 3 298.387 -1.717 20 0 CAADHO C[C@H](CNCC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497817914 893637387 /nfs/dbraw/zinc/63/73/87/893637387.db2.gz MAEFGFQFZPKAGH-SNVBAGLBSA-N 1 3 296.375 -1.362 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498190323 893663653 /nfs/dbraw/zinc/66/36/53/893663653.db2.gz NNTQZDJXURMTQP-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190323 893663646 /nfs/dbraw/zinc/66/36/46/893663646.db2.gz NNTQZDJXURMTQP-IUCAKERBSA-N 1 3 285.348 -1.773 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001498860597 893693661 /nfs/dbraw/zinc/69/36/61/893693661.db2.gz AKYUKXCSFWRJHH-MNOVXSKESA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001498860597 893693672 /nfs/dbraw/zinc/69/36/72/893693672.db2.gz AKYUKXCSFWRJHH-MNOVXSKESA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001498860590 893694137 /nfs/dbraw/zinc/69/41/37/893694137.db2.gz AKYUKXCSFWRJHH-GHMZBOCLSA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001498860590 893694140 /nfs/dbraw/zinc/69/41/40/893694140.db2.gz AKYUKXCSFWRJHH-GHMZBOCLSA-N 1 3 268.361 -1.092 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500751663 893751007 /nfs/dbraw/zinc/75/10/07/893751007.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500751663 893751019 /nfs/dbraw/zinc/75/10/19/893751019.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500751664 893752349 /nfs/dbraw/zinc/75/23/49/893752349.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 1 3 285.388 -1.127 20 0 CAADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500751664 893752359 /nfs/dbraw/zinc/75/23/59/893752359.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 1 3 285.388 -1.127 20 0 CAADHO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001500718811 893753525 /nfs/dbraw/zinc/75/35/25/893753525.db2.gz ZCWZOFUKOPUFJT-AWEZNQCLSA-N 1 3 285.388 -1.127 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500765449 893756522 /nfs/dbraw/zinc/75/65/22/893756522.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 1 3 273.377 -1.128 20 0 CAADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500765449 893756534 /nfs/dbraw/zinc/75/65/34/893756534.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 1 3 273.377 -1.128 20 0 CAADHO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNCC(N)=O)C1 ZINC001501506182 893811472 /nfs/dbraw/zinc/81/14/72/893811472.db2.gz ONQOBCCMHAMNDX-LLVKDONJSA-N 1 3 286.376 -1.776 20 0 CAADHO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNCC(N)=O)C1 ZINC001501506182 893811492 /nfs/dbraw/zinc/81/14/92/893811492.db2.gz ONQOBCCMHAMNDX-LLVKDONJSA-N 1 3 286.376 -1.776 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001501511242 893814964 /nfs/dbraw/zinc/81/49/64/893814964.db2.gz HLHGDQYBZFELJT-VXGBXAGGSA-N 1 3 298.387 -1.763 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001501511242 893814979 /nfs/dbraw/zinc/81/49/79/893814979.db2.gz HLHGDQYBZFELJT-VXGBXAGGSA-N 1 3 298.387 -1.763 20 0 CAADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NC(N)=O ZINC001505685120 893889201 /nfs/dbraw/zinc/88/92/01/893889201.db2.gz FBEUMANYGRELOL-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505685121 893889617 /nfs/dbraw/zinc/88/96/17/893889617.db2.gz FBEUMANYGRELOL-IUCAKERBSA-N 1 3 287.364 -1.384 20 0 CAADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846808 893947717 /nfs/dbraw/zinc/94/77/17/893947717.db2.gz ZXGZJAJTBZNHJW-QWRGUYRKSA-N 1 3 286.376 -1.371 20 0 CAADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001507154472 893959240 /nfs/dbraw/zinc/95/92/40/893959240.db2.gz NZZBCSMTOBELRY-SNVBAGLBSA-N 1 3 299.375 -1.286 20 0 CAADHO CN(C[C@H](O)CNCC(N)=O)C(=O)CC[NH+](C)C ZINC001507503257 894061777 /nfs/dbraw/zinc/06/17/77/894061777.db2.gz ZDYIQVMUASFYMI-SECBINFHSA-N 1 3 260.338 -2.168 20 0 CAADHO [NH3+]CCNCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001521476629 894209937 /nfs/dbraw/zinc/20/99/37/894209937.db2.gz MHQPFKWQFJAHJU-UHFFFAOYSA-N 1 3 297.403 -1.699 20 0 CAADHO COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCCCN1 ZINC001522082070 894215755 /nfs/dbraw/zinc/21/57/55/894215755.db2.gz HFCXQODLHGTYJG-SCVCMEIPSA-N 1 3 257.334 -1.406 20 0 CAADHO COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCCCN1 ZINC001522082067 894217666 /nfs/dbraw/zinc/21/76/66/894217666.db2.gz HFCXQODLHGTYJG-JFGNBEQYSA-N 1 3 257.334 -1.406 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522310655 894218601 /nfs/dbraw/zinc/21/86/01/894218601.db2.gz CHDFCNDOOBWDFC-JOYOIKCWSA-N 1 3 267.333 -2.114 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522310657 894220626 /nfs/dbraw/zinc/22/06/26/894220626.db2.gz CHDFCNDOOBWDFC-SKDRFNHKSA-N 1 3 267.333 -2.114 20 0 CAADHO COCCNCC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001522580282 894236312 /nfs/dbraw/zinc/23/63/12/894236312.db2.gz ALGJXROWLXSFJW-WDMOLILDSA-N 1 3 299.371 -1.039 20 0 CAADHO CN1CCN(C)CCN(C(=O)CNCC[NH3+])CC1 ZINC001523482195 894267729 /nfs/dbraw/zinc/26/77/29/894267729.db2.gz KXZBZIBEDUDEGJ-UHFFFAOYSA-N 1 3 257.382 -1.760 20 0 CAADHO [NH3+]C[C@@H](O)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001548554204 894486090 /nfs/dbraw/zinc/48/60/90/894486090.db2.gz SEIRSQNPOCGPHP-LBPRGKRZSA-N 1 3 298.387 -1.537 20 0 CAADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001548554449 894486664 /nfs/dbraw/zinc/48/66/64/894486664.db2.gz UKNIAKRWJMKMBG-NEPJUHHUSA-N 1 3 270.377 -1.273 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548562434 894486846 /nfs/dbraw/zinc/48/68/46/894486846.db2.gz OTPUYZJMMRPVJM-GWCFXTLKSA-N 1 3 282.344 -1.011 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001548554203 894487430 /nfs/dbraw/zinc/48/74/30/894487430.db2.gz SEIRSQNPOCGPHP-GFCCVEGCSA-N 1 3 298.387 -1.537 20 0 CAADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573691 894489553 /nfs/dbraw/zinc/48/95/53/894489553.db2.gz VATPNTXYCZSKIT-BSTOTGJRSA-N 1 3 271.361 -1.032 20 0 CAADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574540 894489869 /nfs/dbraw/zinc/48/98/69/894489869.db2.gz GAMNEQAWXLJMSD-NEPJUHHUSA-N 1 3 270.377 -1.537 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044514 894506994 /nfs/dbraw/zinc/50/69/94/894506994.db2.gz SGNNUUSSSMLWDR-STQMWFEESA-N 1 3 282.388 -1.129 20 0 CAADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001549050623 894510754 /nfs/dbraw/zinc/51/07/54/894510754.db2.gz OZFOPPQUAYZCFJ-CMPLNLGQSA-N 1 3 286.376 -1.338 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549176891 894511702 /nfs/dbraw/zinc/51/17/02/894511702.db2.gz ZVXDOYLTNAERTL-AGIUHOORSA-N 1 3 298.387 -1.175 20 0 CAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549046438 894512179 /nfs/dbraw/zinc/51/21/79/894512179.db2.gz YLHALPPKIRPRJI-ZYHUDNBSSA-N 1 3 286.376 -1.419 20 0 CAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC12CC(C1)C[NH2+]2 ZINC001549299881 894515057 /nfs/dbraw/zinc/51/50/57/894515057.db2.gz NMLMVXPDJLQVOK-DMLGSKKGSA-N 1 3 268.361 -1.046 20 0 CAADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549176899 894515517 /nfs/dbraw/zinc/51/55/17/894515517.db2.gz ZVXDOYLTNAERTL-UPJWGTAASA-N 1 3 298.387 -1.175 20 0 CAADHO NCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729029 894521377 /nfs/dbraw/zinc/52/13/77/894521377.db2.gz XDRWYLFLFQBJPC-SKDRFNHKSA-N 1 3 254.334 -1.292 20 0 CAADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095112 894529325 /nfs/dbraw/zinc/52/93/25/894529325.db2.gz GHROINLZKNFKMG-PWSUYJOCSA-N 1 3 294.359 -1.254 20 0 CAADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095108 894529512 /nfs/dbraw/zinc/52/95/12/894529512.db2.gz GHROINLZKNFKMG-CMPLNLGQSA-N 1 3 294.359 -1.254 20 0 CAADHO CN1CC[C@H](N2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)C1=O ZINC001550092571 894529715 /nfs/dbraw/zinc/52/97/15/894529715.db2.gz IRXCMPVTUKHSEA-NSHDSACASA-N 1 3 296.371 -1.868 20 0 CAADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC[C@@H](O)C1 ZINC001550735985 894537277 /nfs/dbraw/zinc/53/72/77/894537277.db2.gz OCBAWIXFPUTYGZ-SQLBVSGCSA-N 1 3 254.334 -1.286 20 0 CAADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC[C@H](O)C1 ZINC001550735992 894537568 /nfs/dbraw/zinc/53/75/68/894537568.db2.gz OCBAWIXFPUTYGZ-YZRBJQDESA-N 1 3 254.334 -1.286 20 0 CAADHO O=S(=O)(N[C@@]12CCC[C@H]1C[NH2+]C2)N1CCNCC1 ZINC001551391862 894538024 /nfs/dbraw/zinc/53/80/24/894538024.db2.gz HHVHTUBEUSMYBX-WDEREUQCSA-N 1 3 274.390 -1.132 20 0 CAADHO CCN1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203258 894546237 /nfs/dbraw/zinc/54/62/37/894546237.db2.gz XERHBYGVJNDPCG-DZGCQCFKSA-N 1 3 296.415 -1.024 20 0 CAADHO CCN1CCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203259 894547047 /nfs/dbraw/zinc/54/70/47/894547047.db2.gz XERHBYGVJNDPCG-HIFRSBDPSA-N 1 3 296.415 -1.024 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CCN2C1=O ZINC001552212975 894550145 /nfs/dbraw/zinc/55/01/45/894550145.db2.gz MZSYMIHMUYKEJO-BIAAXOCRSA-N 1 3 294.355 -2.007 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CCN2C1=O ZINC001552212977 894550210 /nfs/dbraw/zinc/55/02/10/894550210.db2.gz MZSYMIHMUYKEJO-ZHSDAYTOSA-N 1 3 294.355 -2.007 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC001552217096 894550710 /nfs/dbraw/zinc/55/07/10/894550710.db2.gz ZXWKTWPMKKMKBS-QMMMGPOBSA-N 1 3 281.316 -1.507 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203874 894550903 /nfs/dbraw/zinc/55/09/03/894550903.db2.gz IOEFEFPTEZLJTM-JFGNBEQYSA-N 1 3 255.318 -1.673 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552218835 894551998 /nfs/dbraw/zinc/55/19/98/894551998.db2.gz YCEDBMOSTFPUDA-OQPBUACISA-N 1 3 293.327 -1.507 20 0 CAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553408021 894564409 /nfs/dbraw/zinc/56/44/09/894564409.db2.gz IWYJEQWUXDVFKJ-ZRUFSTJUSA-N 1 3 255.318 -1.390 20 0 CAADHO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CCNC[C@@H](O)C1 ZINC001553429119 894565771 /nfs/dbraw/zinc/56/57/71/894565771.db2.gz POQBDMDBQYBHFZ-RCWTZXSCSA-N 1 3 255.318 -1.702 20 0 CAADHO CN1C[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001553647653 894568736 /nfs/dbraw/zinc/56/87/36/894568736.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 1 3 270.377 -1.729 20 0 CAADHO CN1C[C@@H](O)[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC001553647654 894568552 /nfs/dbraw/zinc/56/85/52/894568552.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 1 3 270.377 -1.729 20 0 CAADHO CN1C[C@@H](O)[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001553647654 894568560 /nfs/dbraw/zinc/56/85/60/894568560.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 1 3 270.377 -1.729 20 0 CAADHO CN1C[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)[C@@H](O)C1 ZINC001553647653 894568730 /nfs/dbraw/zinc/56/87/30/894568730.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 1 3 270.377 -1.729 20 0 CAADHO CN(C)CCN1C[C@H](C(=O)NCC2C[NH2+]C2)CC1=O ZINC000261732467 230221728 /nfs/dbraw/zinc/22/17/28/230221728.db2.gz AJPHVVIAHSOCHG-LLVKDONJSA-N 1 3 268.361 -1.268 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)NCC2C[NH2+]C2)CC1=O ZINC000261732469 230222343 /nfs/dbraw/zinc/22/23/43/230222343.db2.gz AJPHVVIAHSOCHG-NSHDSACASA-N 1 3 268.361 -1.268 20 0 CAADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262545010 230228205 /nfs/dbraw/zinc/22/82/05/230228205.db2.gz RUGFGXBCMJDHLA-IJLUTSLNSA-N 1 3 271.361 -1.064 20 0 CAADHO O[C@@H]1CN(CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710242 230336870 /nfs/dbraw/zinc/33/68/70/230336870.db2.gz USGZRCGDMMGZDG-KVVVAFMNSA-N 1 3 274.361 -1.769 20 0 CAADHO O[C@@H]1C[NH+](CCCCCN2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710242 230336876 /nfs/dbraw/zinc/33/68/76/230336876.db2.gz USGZRCGDMMGZDG-KVVVAFMNSA-N 1 3 274.361 -1.769 20 0 CAADHO CN1C[C@@H](N[C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455287 334939323 /nfs/dbraw/zinc/93/93/23/334939323.db2.gz GVXMERVLQHCECB-WDEREUQCSA-N 1 3 296.371 -1.114 20 0 CAADHO C[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000194916580 545591948 /nfs/dbraw/zinc/59/19/48/545591948.db2.gz SWKWFNHZDQWAJG-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO COCCNCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574276275 335006169 /nfs/dbraw/zinc/00/61/69/335006169.db2.gz SBSIKWLYAFLHOH-LLVKDONJSA-N 1 3 296.375 -1.004 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCOCC[NH+](C)C ZINC000232733156 372790316 /nfs/dbraw/zinc/79/03/16/372790316.db2.gz YOHTWKRPLLWKCK-LBPRGKRZSA-N 1 3 288.392 -1.220 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574414427 335018044 /nfs/dbraw/zinc/01/80/44/335018044.db2.gz RIOYHDZNIDMRTB-GUBZILKMSA-N 1 3 254.334 -1.260 20 0 CAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CNC1 ZINC000557250828 372849138 /nfs/dbraw/zinc/84/91/38/372849138.db2.gz GVWRQQOVQPQIER-VIFPVBQESA-N 1 3 256.350 -1.079 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000562825474 372951794 /nfs/dbraw/zinc/95/17/94/372951794.db2.gz NMEWHOIKTYZEDP-WDEREUQCSA-N 1 3 266.345 -1.183 20 0 CAADHO O=C(NC1CNC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000562825474 372951806 /nfs/dbraw/zinc/95/18/06/372951806.db2.gz NMEWHOIKTYZEDP-WDEREUQCSA-N 1 3 266.345 -1.183 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642925894 372925592 /nfs/dbraw/zinc/92/55/92/372925592.db2.gz JJOYFCOCCPOMBG-UHFFFAOYSA-N 1 3 289.339 -1.182 20 0 CAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926318 372926138 /nfs/dbraw/zinc/92/61/38/372926138.db2.gz GNCXAYVPZIGBOQ-GFCCVEGCSA-N 1 3 298.387 -1.356 20 0 CAADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CNC1 ZINC000562827587 372953064 /nfs/dbraw/zinc/95/30/64/372953064.db2.gz HMSXIRAUHYGIOI-UHFFFAOYSA-N 1 3 256.350 -1.125 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]C1 ZINC000566573044 372935532 /nfs/dbraw/zinc/93/55/32/372935532.db2.gz VYMXBXYCCPGPCY-CWSCBRNRSA-N 1 3 266.345 -1.244 20 0 CAADHO COC[C@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000643801267 372936465 /nfs/dbraw/zinc/93/64/65/372936465.db2.gz VHRGKIHEBVWGNQ-PWSUYJOCSA-N 1 3 257.334 -1.140 20 0 CAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CCOC1CNC1 ZINC000572952382 372961983 /nfs/dbraw/zinc/96/19/83/372961983.db2.gz LRDAYGFAANFXEH-SNVBAGLBSA-N 1 3 256.350 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N[C@H]1C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273195 373112254 /nfs/dbraw/zinc/11/22/54/373112254.db2.gz KGZYASBGQOQBNL-PYUIQPRZSA-N 1 3 293.371 -1.308 20 0 CAADHO CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595273818 373112496 /nfs/dbraw/zinc/11/24/96/373112496.db2.gz NGAQXMFXYFJHRN-IVZWLZJFSA-N 1 3 269.349 -1.323 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595276243 373112988 /nfs/dbraw/zinc/11/29/88/373112988.db2.gz WJGNOQBAHHKUQM-IVZWLZJFSA-N 1 3 269.349 -1.452 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902688 373123268 /nfs/dbraw/zinc/12/32/68/373123268.db2.gz GCZXHRMSAHTVJO-GRYCIOLGSA-N 1 3 280.372 -1.249 20 0 CAADHO N[C@@H]1C[C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902690 373123418 /nfs/dbraw/zinc/12/34/18/373123418.db2.gz GCZXHRMSAHTVJO-QJPTWQEYSA-N 1 3 280.372 -1.249 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969026 373126616 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CAADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000602526846 373202289 /nfs/dbraw/zinc/20/22/89/373202289.db2.gz PXIULIJZPCUWGX-DEKYYXRVSA-N 1 3 296.371 -1.476 20 0 CAADHO NCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563167183 373247606 /nfs/dbraw/zinc/24/76/06/373247606.db2.gz ZFFBZXMMFNRTPD-SSDOTTSWSA-N 1 3 254.256 -1.103 20 0 CAADHO COCC[N@@H+]1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955028 373302451 /nfs/dbraw/zinc/30/24/51/373302451.db2.gz JPHHNYNKMQOGJJ-ZETCQYMHSA-N 1 3 253.310 -1.749 20 0 CAADHO COCC[N@H+]1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955028 373302459 /nfs/dbraw/zinc/30/24/59/373302459.db2.gz JPHHNYNKMQOGJJ-ZETCQYMHSA-N 1 3 253.310 -1.749 20 0 CAADHO CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](CN)C1 ZINC000571639698 373313579 /nfs/dbraw/zinc/31/35/79/373313579.db2.gz FMPOLLNCDIOSLY-AXFHLTTASA-N 1 3 256.350 -1.406 20 0 CAADHO CN1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](CN)C1 ZINC000637864054 373357230 /nfs/dbraw/zinc/35/72/30/373357230.db2.gz KXHJACLDKMMDTL-LLVKDONJSA-N 1 3 255.366 -2.007 20 0 CAADHO CO[C@@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353470359 373378824 /nfs/dbraw/zinc/37/88/24/373378824.db2.gz QUCMXZLQTRDGHU-LBPRGKRZSA-N 1 3 298.387 -1.273 20 0 CAADHO COC[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC[NH2+]1 ZINC000638230939 373402007 /nfs/dbraw/zinc/40/20/07/373402007.db2.gz XXFQFLQGEFUNBT-HOSYDEDBSA-N 1 3 257.334 -1.013 20 0 CAADHO [NH3+]CC[C@H](NC(=O)CN1CCNCC1)C(F)F ZINC000638260418 373403440 /nfs/dbraw/zinc/40/34/40/373403440.db2.gz ZTPUMCJKEXAZGD-QMMMGPOBSA-N 1 3 250.293 -1.010 20 0 CAADHO [NH3+]CC[C@@H](NC(=O)CN1CCNCC1)C(F)F ZINC000638260417 373404503 /nfs/dbraw/zinc/40/45/03/373404503.db2.gz ZTPUMCJKEXAZGD-MRVPVSSYSA-N 1 3 250.293 -1.010 20 0 CAADHO CN(CCCN1CCN(C)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638279234 373405914 /nfs/dbraw/zinc/40/59/14/373405914.db2.gz OSXBRSAUQLFPMV-UHFFFAOYSA-N 1 3 297.447 -1.013 20 0 CAADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337955 373413497 /nfs/dbraw/zinc/41/34/97/373413497.db2.gz NTXRLMYAKGLCNH-JBLDHEPKSA-N 1 3 257.334 -1.142 20 0 CAADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2CNCCO2)CCCOC1 ZINC000638337888 373413522 /nfs/dbraw/zinc/41/35/22/373413522.db2.gz LVNXNABORYDGJB-CMPLNLGQSA-N 1 3 257.334 -1.154 20 0 CAADHO [NH3+]C[C@@]1(C(=O)NC[C@H]2CNCCO2)CCCOC1 ZINC000638337890 373415190 /nfs/dbraw/zinc/41/51/90/373415190.db2.gz LVNXNABORYDGJB-PWSUYJOCSA-N 1 3 257.334 -1.154 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CN1CC[NH2+]CC1 ZINC000638413854 373420773 /nfs/dbraw/zinc/42/07/73/373420773.db2.gz HCHDSIAYQPBPLZ-UHFFFAOYSA-N 1 3 299.419 -1.630 20 0 CAADHO [NH3+]C[C@]1(C(=O)N2CCOC3(CNC3)C2)CCCOC1 ZINC000638436820 373422522 /nfs/dbraw/zinc/42/25/22/373422522.db2.gz DZAGHZGPIYCEIZ-GFCCVEGCSA-N 1 3 269.345 -1.057 20 0 CAADHO COC[C@@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC[NH2+]1 ZINC000638230941 373400023 /nfs/dbraw/zinc/40/00/23/373400023.db2.gz XXFQFLQGEFUNBT-UMNHJUIQSA-N 1 3 257.334 -1.013 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768340 373469953 /nfs/dbraw/zinc/46/99/53/373469953.db2.gz WICIYWPGHOFBJH-NGZCFLSTSA-N 1 3 256.350 -1.048 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000572868763 373495717 /nfs/dbraw/zinc/49/57/17/373495717.db2.gz BJYZGSHNOMLJJR-UHFFFAOYSA-N 1 3 287.408 -1.645 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915494 373483321 /nfs/dbraw/zinc/48/33/21/373483321.db2.gz NFMFPKDFUKKEJF-QXEWZRGKSA-N 1 3 254.334 -1.341 20 0 CAADHO O=C1NC[C@H]2CN(CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977941 373539848 /nfs/dbraw/zinc/53/98/48/373539848.db2.gz NQBHGOPFNMRPCL-NSHDSACASA-N 1 3 266.345 -1.371 20 0 CAADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C ZINC000351557319 373577851 /nfs/dbraw/zinc/57/78/51/373577851.db2.gz QASFEHCFBLBASW-UWVGGRQHSA-N 1 3 256.350 -1.079 20 0 CAADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@@H]1C ZINC000582361038 373628354 /nfs/dbraw/zinc/62/83/54/373628354.db2.gz HFUZEWINJOTHPV-ONGXEEELSA-N 1 3 256.350 -1.094 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583824301 373640551 /nfs/dbraw/zinc/64/05/51/373640551.db2.gz ZRWDJYNHOSXIOS-GUBZILKMSA-N 1 3 252.318 -1.491 20 0 CAADHO COC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000583274128 373640753 /nfs/dbraw/zinc/64/07/53/373640753.db2.gz OBXYVOGZZISXDJ-SUNKGSAMSA-N 1 3 296.371 -1.617 20 0 CAADHO C[C@H](C[NH3+])C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584719399 373649521 /nfs/dbraw/zinc/64/95/21/373649521.db2.gz SWIDROMHGJYFOK-SSDOTTSWSA-N 1 3 253.310 -1.252 20 0 CAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CNC1 ZINC000584711927 373651074 /nfs/dbraw/zinc/65/10/74/373651074.db2.gz MMUNLVUNUZHXQY-VIFPVBQESA-N 1 3 256.350 -1.079 20 0 CAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CNC1 ZINC000584711927 373651080 /nfs/dbraw/zinc/65/10/80/373651080.db2.gz MMUNLVUNUZHXQY-VIFPVBQESA-N 1 3 256.350 -1.079 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893947 373677880 /nfs/dbraw/zinc/67/78/80/373677880.db2.gz BFMFYJPCOKPPMY-HBNTYKKESA-N 1 3 266.345 -1.101 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893945 373678491 /nfs/dbraw/zinc/67/84/91/373678491.db2.gz BFMFYJPCOKPPMY-GMTAPVOTSA-N 1 3 266.345 -1.101 20 0 CAADHO C[NH+](C)CCN1C(=O)C[C@@H](NCCN2CCOCC2)C1=O ZINC000572131657 373681468 /nfs/dbraw/zinc/68/14/68/373681468.db2.gz JZXSSGICJCHTFW-GFCCVEGCSA-N 1 3 298.387 -1.403 20 0 CAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCC[NH3+] ZINC000572501791 373772076 /nfs/dbraw/zinc/77/20/76/373772076.db2.gz UNJOZHBVZGILEL-UHFFFAOYSA-N 1 3 287.408 -1.597 20 0 CAADHO O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629566093 373777054 /nfs/dbraw/zinc/77/70/54/373777054.db2.gz LUDMNVHVIJJDOO-SNVBAGLBSA-N 1 3 270.333 -1.416 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCC3)CCN2C1=O ZINC000515171623 373724466 /nfs/dbraw/zinc/72/44/66/373724466.db2.gz SOEDSSVLIRDXBE-GMTAPVOTSA-N 1 3 266.345 -1.116 20 0 CAADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514950452 373724575 /nfs/dbraw/zinc/72/45/75/373724575.db2.gz GATOFPYBKFCAHG-QEYWKRMJSA-N 1 3 269.349 -1.325 20 0 CAADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513462 373734669 /nfs/dbraw/zinc/73/46/69/373734669.db2.gz WVNOJYAHRKAXIO-XQQFMLRXSA-N 1 3 292.383 -1.029 20 0 CAADHO C[NH2+]CCOCCN(C)CCC(=O)N1CCNCC1 ZINC000629570487 373776459 /nfs/dbraw/zinc/77/64/59/373776459.db2.gz LEWFGZVSELHPDX-UHFFFAOYSA-N 1 3 272.393 -1.024 20 0 CAADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNCC1 ZINC000631900465 373816678 /nfs/dbraw/zinc/81/66/78/373816678.db2.gz AIRPADQXTIKSMR-UHFFFAOYSA-N 1 3 262.379 -1.180 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)N(CCOC)CCN(C)C ZINC000629795821 373784162 /nfs/dbraw/zinc/78/41/62/373784162.db2.gz MTKAFDFVWLPCBK-UHFFFAOYSA-N 1 3 288.392 -1.170 20 0 CAADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627252139 373888055 /nfs/dbraw/zinc/88/80/55/373888055.db2.gz LWQUEOJUNZOKGY-OUAUKWLOSA-N 1 3 254.334 -1.191 20 0 CAADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CNCCO1 ZINC000627102276 373841222 /nfs/dbraw/zinc/84/12/22/373841222.db2.gz JPBWLPIIJNHNDM-LLVKDONJSA-N 1 3 274.365 -1.148 20 0 CAADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CNCCO1 ZINC000627102309 373841276 /nfs/dbraw/zinc/84/12/76/373841276.db2.gz KQTSTKLUOMUXGW-JTQLQIEISA-N 1 3 260.338 -1.490 20 0 CAADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CNCCO1 ZINC000627104057 373841315 /nfs/dbraw/zinc/84/13/15/373841315.db2.gz QXDWKUNMTIPKSO-MNOVXSKESA-N 1 3 272.349 -1.659 20 0 CAADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000627104057 373841319 /nfs/dbraw/zinc/84/13/19/373841319.db2.gz QXDWKUNMTIPKSO-MNOVXSKESA-N 1 3 272.349 -1.659 20 0 CAADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CNCCO1 ZINC000627102891 373841366 /nfs/dbraw/zinc/84/13/66/373841366.db2.gz WAKBUFAZJBAXGL-SNVBAGLBSA-N 1 3 260.338 -1.361 20 0 CAADHO C[NH2+]CCOCCNC(=O)NC[C@H]1CNCCO1 ZINC000627102310 373841953 /nfs/dbraw/zinc/84/19/53/373841953.db2.gz KQTSTKLUOMUXGW-SNVBAGLBSA-N 1 3 260.338 -1.490 20 0 CAADHO C[NH2+]CCOCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627170469 373842764 /nfs/dbraw/zinc/84/27/64/373842764.db2.gz AIDXLLHBUKCZPK-NWDGAFQWSA-N 1 3 286.376 -1.317 20 0 CAADHO C[NH2+]CCOCCNC(=O)N1CCOC2(CNC2)C1 ZINC000627170501 373843897 /nfs/dbraw/zinc/84/38/97/373843897.db2.gz BHVDBWGZTKOWKG-UHFFFAOYSA-N 1 3 272.349 -1.394 20 0 CAADHO C[NH2+]CCOCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000627173690 373845335 /nfs/dbraw/zinc/84/53/35/373845335.db2.gz FVCDZNFESYDYJV-LBPRGKRZSA-N 1 3 274.365 -1.412 20 0 CAADHO C[NH2+]CCOCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000627173689 373845436 /nfs/dbraw/zinc/84/54/36/373845436.db2.gz FVCDZNFESYDYJV-GFCCVEGCSA-N 1 3 274.365 -1.412 20 0 CAADHO [NH3+]CCCOCCNC(=O)N1CCOC2(CNC2)C1 ZINC000627219244 373853782 /nfs/dbraw/zinc/85/37/82/373853782.db2.gz SYTZYIAULHSBJD-UHFFFAOYSA-N 1 3 272.349 -1.264 20 0 CAADHO CN(C)C[C@](C)(O)CNC(=O)NCCOCCC[NH3+] ZINC000627216719 373853832 /nfs/dbraw/zinc/85/38/32/373853832.db2.gz YKBDWJWTYQNIJM-GFCCVEGCSA-N 1 3 276.381 -1.036 20 0 CAADHO COCCNCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566007943 373943446 /nfs/dbraw/zinc/94/34/46/373943446.db2.gz ARQSKMVAPTUVCR-GFCCVEGCSA-N 1 3 270.377 -1.272 20 0 CAADHO COCCNCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566206565 373943802 /nfs/dbraw/zinc/94/38/02/373943802.db2.gz PZHYDTOGBGQNRL-JTQLQIEISA-N 1 3 272.349 -1.793 20 0 CAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000567470291 373957168 /nfs/dbraw/zinc/95/71/68/373957168.db2.gz ZASIHXAADYOFBD-DTWKUNHWSA-N 1 3 290.314 -1.032 20 0 CAADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567649024 373958887 /nfs/dbraw/zinc/95/88/87/373958887.db2.gz MSBPIOPCKIYBHZ-JTQLQIEISA-N 1 3 254.334 -1.373 20 0 CAADHO O=C(CCOC1CNC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567817057 373962088 /nfs/dbraw/zinc/96/20/88/373962088.db2.gz GWCRNKRPYZVSII-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO O=C(C[C@H]1CNCCO1)NCCN1CC[NH2+]CC1 ZINC000564797630 373931604 /nfs/dbraw/zinc/93/16/04/373931604.db2.gz UECBHTAUSGXPTH-NSHDSACASA-N 1 3 256.350 -1.614 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251033 373935456 /nfs/dbraw/zinc/93/54/56/373935456.db2.gz SQDUBFGFLIRHPV-DTWKUNHWSA-N 1 3 253.306 -2.088 20 0 CAADHO COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565669694 373937922 /nfs/dbraw/zinc/93/79/22/373937922.db2.gz HUHGCYHCMIQZPF-QWRGUYRKSA-N 1 3 299.375 -1.824 20 0 CAADHO COCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995652 /nfs/dbraw/zinc/99/56/52/373995652.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 1 3 299.419 -1.009 20 0 CAADHO CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267405 373970506 /nfs/dbraw/zinc/97/05/06/373970506.db2.gz FZBRBYDIWNLFIW-VHSXEESVSA-N 1 3 254.334 -1.245 20 0 CAADHO CN1CCN(C(=O)C[C@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000572840229 373977771 /nfs/dbraw/zinc/97/77/71/373977771.db2.gz XZZGRYDYKUBQJT-MNOVXSKESA-N 1 3 256.350 -1.534 20 0 CAADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573267379 373980988 /nfs/dbraw/zinc/98/09/88/373980988.db2.gz GRCMTRMZFZVTSX-JMJZKYOTSA-N 1 3 266.345 -1.103 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CC[NH2+]CC1 ZINC000578323453 373991817 /nfs/dbraw/zinc/99/18/17/373991817.db2.gz JISZULLPUBCRTM-LBPRGKRZSA-N 1 3 285.392 -1.893 20 0 CAADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578454444 373992645 /nfs/dbraw/zinc/99/26/45/373992645.db2.gz ZHHONNRISCOPTN-GARJFASQSA-N 1 3 283.376 -1.205 20 0 CAADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578454442 373994031 /nfs/dbraw/zinc/99/40/31/373994031.db2.gz ZHHONNRISCOPTN-AXFHLTTASA-N 1 3 283.376 -1.205 20 0 CAADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627319574 374071289 /nfs/dbraw/zinc/07/12/89/374071289.db2.gz YICIRKXJTCWVEI-SECBINFHSA-N 1 3 254.334 -1.325 20 0 CAADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)nc(N)n1 ZINC000624331275 374111571 /nfs/dbraw/zinc/11/15/71/374111571.db2.gz UUIQNCBJESSWIB-SSDOTTSWSA-N 1 3 280.336 -1.747 20 0 CAADHO Nc1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000624256207 374111946 /nfs/dbraw/zinc/11/19/46/374111946.db2.gz GNVLWQLULLRTTH-OCAPTIKFSA-N 1 3 265.321 -1.606 20 0 CAADHO Nc1nc(N)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000623941215 374093815 /nfs/dbraw/zinc/09/38/15/374093815.db2.gz MKJRKXZXWBWJLU-UHFFFAOYSA-N 1 3 253.310 -1.799 20 0 CAADHO Nc1nc(N)nc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000623941215 374093819 /nfs/dbraw/zinc/09/38/19/374093819.db2.gz MKJRKXZXWBWJLU-UHFFFAOYSA-N 1 3 253.310 -1.799 20 0 CAADHO CN1CCC([N@@H+]2CC[C@@H](Nc3nc(N)nc(N)n3)C2)CC1 ZINC000623966332 374098228 /nfs/dbraw/zinc/09/82/28/374098228.db2.gz MYEZDAPIESWYLT-SECBINFHSA-N 1 3 292.391 -1.301 20 0 CAADHO CN1CCC([N@H+]2CC[C@@H](Nc3nc(N)nc(N)n3)C2)CC1 ZINC000623966332 374098232 /nfs/dbraw/zinc/09/82/32/374098232.db2.gz MYEZDAPIESWYLT-SECBINFHSA-N 1 3 292.391 -1.301 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488156 374133677 /nfs/dbraw/zinc/13/36/77/374133677.db2.gz SGFJZUJXZQEYST-UHFFFAOYSA-N 1 3 274.365 -1.512 20 0 CAADHO Nc1nc(N)nc(NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000624248875 374108523 /nfs/dbraw/zinc/10/85/23/374108523.db2.gz HNSLAVFOKIPZGT-QMMMGPOBSA-N 1 3 267.337 -1.623 20 0 CAADHO Nc1nc(N)nc(NC[C@@H]2CCCC[N@H+]2CCO)n1 ZINC000624248875 374108527 /nfs/dbraw/zinc/10/85/27/374108527.db2.gz HNSLAVFOKIPZGT-QMMMGPOBSA-N 1 3 267.337 -1.623 20 0 CAADHO CN(C)CCCS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000631929283 374154584 /nfs/dbraw/zinc/15/45/84/374154584.db2.gz AXASYMNYIGGMPV-SNVBAGLBSA-N 1 3 265.379 -1.073 20 0 CAADHO COCCNCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631933129 374156399 /nfs/dbraw/zinc/15/63/99/374156399.db2.gz CFZKSXYMZGBBEJ-UHFFFAOYSA-N 1 3 294.421 -1.259 20 0 CAADHO CN(C1CNC1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631938085 374156743 /nfs/dbraw/zinc/15/67/43/374156743.db2.gz UBOVYFUZMWYOCX-UHFFFAOYSA-N 1 3 262.379 -1.181 20 0 CAADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000063180447 252077959 /nfs/dbraw/zinc/07/79/59/252077959.db2.gz RNNIHCVQRUZFBP-LLVKDONJSA-N 1 3 296.371 -1.078 20 0 CAADHO COCCN(C)CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357928970 252154089 /nfs/dbraw/zinc/15/40/89/252154089.db2.gz MUBNJWZGSFTBMF-QWRGUYRKSA-N 1 3 259.350 -1.206 20 0 CAADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366462193 252181761 /nfs/dbraw/zinc/18/17/61/252181761.db2.gz NGRGAQMCKKOKOL-MEWQQHAOSA-N 1 3 280.372 -1.270 20 0 CAADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000378307824 252207779 /nfs/dbraw/zinc/20/77/79/252207779.db2.gz QHENGAVCZYQORR-JSGCOSHPSA-N 1 3 284.404 -1.195 20 0 CAADHO [NH3+]CCOCCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000516468607 252255457 /nfs/dbraw/zinc/25/54/57/252255457.db2.gz ZZTPSJMJIFXWMJ-GFCCVEGCSA-N 1 3 270.377 -1.142 20 0 CAADHO Cn1cc(C(=O)N(CCCC[NH3+])C(=N)N)c(=O)n(C)c1=O ZINC001195541902 782008503 /nfs/dbraw/zinc/00/85/03/782008503.db2.gz YYQCJWZKSDKDHR-UHFFFAOYSA-N 1 3 296.331 -1.841 20 0 CAADHO CC1(OCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CNC1 ZINC000648136246 409322713 /nfs/dbraw/zinc/32/27/13/409322713.db2.gz LTJOGFVDBICEHY-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO CN1CCN(C(=O)CCNC2(CO)CC[NH2+]CC2)CC1 ZINC000662284972 409324418 /nfs/dbraw/zinc/32/44/18/409324418.db2.gz SMWIANKCOQDPHU-UHFFFAOYSA-N 1 3 284.404 -1.145 20 0 CAADHO CN1CCN(C(=O)CC[NH2+]C2(CO)CCNCC2)CC1 ZINC000662284972 409324422 /nfs/dbraw/zinc/32/44/22/409324422.db2.gz SMWIANKCOQDPHU-UHFFFAOYSA-N 1 3 284.404 -1.145 20 0 CAADHO [NH3+]CCN(C[C@H](O)CO)C[C@H]1CCC2(CNC2)O1 ZINC000662285888 409324684 /nfs/dbraw/zinc/32/46/84/409324684.db2.gz LCGZEJVSCLJDTD-WDEREUQCSA-N 1 3 259.350 -1.879 20 0 CAADHO CCO[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000652223374 409392993 /nfs/dbraw/zinc/39/29/93/409392993.db2.gz DPUWKPIWMCFJHC-IJLUTSLNSA-N 1 3 286.376 -1.020 20 0 CAADHO NC[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516825 409393977 /nfs/dbraw/zinc/39/39/77/409393977.db2.gz ZNQPCYZKYNIKBF-NKWVEPMBSA-N 1 3 282.266 -1.140 20 0 CAADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000652223373 409394774 /nfs/dbraw/zinc/39/47/74/409394774.db2.gz DPUWKPIWMCFJHC-GRYCIOLGSA-N 1 3 286.376 -1.020 20 0 CAADHO CN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124165 409331780 /nfs/dbraw/zinc/33/17/80/409331780.db2.gz SBQVHBGXQMEWTL-ZFWWWQNUSA-N 1 3 296.415 -1.024 20 0 CAADHO COCCN(C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653114653 409332751 /nfs/dbraw/zinc/33/27/51/409332751.db2.gz QPCVBFLLZSMYDK-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO CC1(OCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CNC1 ZINC000647728272 409401560 /nfs/dbraw/zinc/40/15/60/409401560.db2.gz USVIGITUGWUHFI-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO CN(CCN1C(=O)CNC1=O)CCN1CC[NH2+]CC1 ZINC000071150315 409402788 /nfs/dbraw/zinc/40/27/88/409402788.db2.gz IWGCFDVZZHIDBO-UHFFFAOYSA-N 1 3 269.349 -1.625 20 0 CAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000647877470 409415075 /nfs/dbraw/zinc/41/50/75/409415075.db2.gz RHSDXVQUVYFSDA-NXEZZACHSA-N 1 3 257.334 -1.061 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000647877471 409415197 /nfs/dbraw/zinc/41/51/97/409415197.db2.gz RHSDXVQUVYFSDA-UWVGGRQHSA-N 1 3 257.334 -1.061 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647876813 409415415 /nfs/dbraw/zinc/41/54/15/409415415.db2.gz AOEKAQWHPCKVIL-NHCYSSNCSA-N 1 3 286.376 -1.340 20 0 CAADHO C[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659535590 409420911 /nfs/dbraw/zinc/42/09/11/409420911.db2.gz ALQSVLFKPBPHNG-JTQLQIEISA-N 1 3 273.381 -1.005 20 0 CAADHO CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000519600101 409448042 /nfs/dbraw/zinc/44/80/42/409448042.db2.gz NUBAHOQJJUWGBM-QWRGUYRKSA-N 1 3 283.376 -2.044 20 0 CAADHO CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000519600030 409448380 /nfs/dbraw/zinc/44/83/80/409448380.db2.gz NUBAHOQJJUWGBM-GHMZBOCLSA-N 1 3 283.376 -2.044 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715392 409472035 /nfs/dbraw/zinc/47/20/35/409472035.db2.gz SZYRXATXSNQKIA-VIFPVBQESA-N 1 3 254.334 -1.325 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738128 409474696 /nfs/dbraw/zinc/47/46/96/409474696.db2.gz AGGABRZXPDWZNY-RYUDHWBXSA-N 1 3 298.387 -1.227 20 0 CAADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738127 409474722 /nfs/dbraw/zinc/47/47/22/409474722.db2.gz AGGABRZXPDWZNY-NWDGAFQWSA-N 1 3 298.387 -1.227 20 0 CAADHO C[NH2+]CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646803697 409495794 /nfs/dbraw/zinc/49/57/94/409495794.db2.gz CIGPGTDELUZGLA-UHFFFAOYSA-N 1 3 253.310 -1.238 20 0 CAADHO CN1CCN(C(=O)CNC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000646835535 409496147 /nfs/dbraw/zinc/49/61/47/409496147.db2.gz ZDOGXVFAGRLNCT-VXGBXAGGSA-N 1 3 270.377 -1.144 20 0 CAADHO C[NH2+]CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659514737 409557532 /nfs/dbraw/zinc/55/75/32/409557532.db2.gz NWFVLUNDKYHVFK-UHFFFAOYSA-N 1 3 273.381 -1.133 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000659685113 409560719 /nfs/dbraw/zinc/56/07/19/409560719.db2.gz NXWJHFOXYXMTJS-VIFPVBQESA-N 1 3 256.350 -1.079 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659707484 409565371 /nfs/dbraw/zinc/56/53/71/409565371.db2.gz DTTUSJYWWNAHBS-UHFFFAOYSA-N 1 3 288.392 -1.124 20 0 CAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000659708583 409566646 /nfs/dbraw/zinc/56/66/46/409566646.db2.gz WVAKVOSYFPYGBN-SNVBAGLBSA-N 1 3 274.365 -1.595 20 0 CAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000646843843 409497580 /nfs/dbraw/zinc/49/75/80/409497580.db2.gz MMISKXBHLPPILI-AXFHLTTASA-N 1 3 257.334 -1.061 20 0 CAADHO O=C(NCCN1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655961262 409520393 /nfs/dbraw/zinc/52/03/93/409520393.db2.gz LCIMLLSPLJKELU-QWHCGFSZSA-N 1 3 297.403 -1.648 20 0 CAADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963809 409521843 /nfs/dbraw/zinc/52/18/43/409521843.db2.gz LWQUEOJUNZOKGY-GARJFASQSA-N 1 3 254.334 -1.191 20 0 CAADHO CC[NH+](CC)CC[C@H](CO)Nc1nc(N)nc(N)n1 ZINC000624178882 409546235 /nfs/dbraw/zinc/54/62/35/409546235.db2.gz DINAARCNBMGGLE-MRVPVSSYSA-N 1 3 269.353 -1.377 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012728 409618353 /nfs/dbraw/zinc/61/83/53/409618353.db2.gz YGGRGZMYDVCTEE-CMPLNLGQSA-N 1 3 256.350 -1.046 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012729 409619227 /nfs/dbraw/zinc/61/92/27/409619227.db2.gz YGGRGZMYDVCTEE-JQWIXIFHSA-N 1 3 256.350 -1.046 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744275 409573520 /nfs/dbraw/zinc/57/35/20/409573520.db2.gz UDSQFQVYOGHKRJ-UHFFFAOYSA-N 1 3 268.361 -1.125 20 0 CAADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409579001 /nfs/dbraw/zinc/57/90/01/409579001.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 1 3 269.345 -1.108 20 0 CAADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409579008 /nfs/dbraw/zinc/57/90/08/409579008.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 1 3 269.345 -1.108 20 0 CAADHO [NH3+]CCn1cc(C(=O)NCCNc2ccncc2)nn1 ZINC000662394749 409589406 /nfs/dbraw/zinc/58/94/06/409589406.db2.gz LVPSXOGJQJYQAF-UHFFFAOYSA-N 1 3 275.316 -1.104 20 0 CAADHO COCCN(CCN(C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000662792941 409606193 /nfs/dbraw/zinc/60/61/93/409606193.db2.gz ZZLTZWIUCSPYKU-UHFFFAOYSA-N 1 3 284.364 -1.113 20 0 CAADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662757758 409607394 /nfs/dbraw/zinc/60/73/94/409607394.db2.gz MWHYQCWZXCRJCH-LBPRGKRZSA-N 1 3 284.404 -1.290 20 0 CAADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662757757 409607598 /nfs/dbraw/zinc/60/75/98/409607598.db2.gz MWHYQCWZXCRJCH-GFCCVEGCSA-N 1 3 284.404 -1.290 20 0 CAADHO CN(C)CCn1ccc(NC(=O)CN2CC[NH2+]CC2)n1 ZINC000638088567 409644549 /nfs/dbraw/zinc/64/45/49/409644549.db2.gz IFPWTKHYSMLYCP-UHFFFAOYSA-N 1 3 280.376 -0.712 20 0 CAADHO C[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000347704988 226240022 /nfs/dbraw/zinc/24/00/22/226240022.db2.gz WAYUQGLDLHXQCH-NXEZZACHSA-N 1 3 256.350 -1.140 20 0 CAADHO O=C(CN1CCCC1)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262250521 230226460 /nfs/dbraw/zinc/22/64/60/230226460.db2.gz PLJZUJBZUJVPFZ-UHFFFAOYSA-N 1 3 280.372 -1.028 20 0 CAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH3+] ZINC000419819215 230256896 /nfs/dbraw/zinc/25/68/96/230256896.db2.gz PRYIKOZEORELKR-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423263548 230268267 /nfs/dbraw/zinc/26/82/67/230268267.db2.gz OTBJRBMVABGZMB-UHFFFAOYSA-N 1 3 274.365 -1.560 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423258531 230269499 /nfs/dbraw/zinc/26/94/99/230269499.db2.gz BSLZCPQPPGHOQW-LLVKDONJSA-N 1 3 286.376 -1.417 20 0 CAADHO COCCN1CC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714111 230307483 /nfs/dbraw/zinc/30/74/83/230307483.db2.gz MJXQZAPEQDSIQB-JTQLQIEISA-N 1 3 257.334 -1.188 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398784 260398482 /nfs/dbraw/zinc/39/84/82/260398482.db2.gz ZRWDJYNHOSXIOS-OPRDCNLKSA-N 1 3 252.318 -1.491 20 0 CAADHO CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516980795 269088492 /nfs/dbraw/zinc/08/84/92/269088492.db2.gz CHZFLHBRLROHRD-IUCAKERBSA-N 1 3 254.334 -1.258 20 0 CAADHO CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516980794 269088574 /nfs/dbraw/zinc/08/85/74/269088574.db2.gz CHZFLHBRLROHRD-DTWKUNHWSA-N 1 3 254.334 -1.258 20 0 CAADHO CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516980797 269088728 /nfs/dbraw/zinc/08/87/28/269088728.db2.gz CHZFLHBRLROHRD-RKDXNWHRSA-N 1 3 254.334 -1.258 20 0 CAADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C)C[C@H](C)O1 ZINC000517741919 269088732 /nfs/dbraw/zinc/08/87/32/269088732.db2.gz IVTUDXCQHBEUNQ-XJFOESAGSA-N 1 3 289.420 -1.031 20 0 CAADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)C[NH+](C)C)C[C@H](C)O1 ZINC000517741919 269088733 /nfs/dbraw/zinc/08/87/33/269088733.db2.gz IVTUDXCQHBEUNQ-XJFOESAGSA-N 1 3 289.420 -1.031 20 0 CAADHO CC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[NH2+]C1 ZINC000517588054 269088930 /nfs/dbraw/zinc/08/89/30/269088930.db2.gz HBJLDPSNKAEBJD-DTWKUNHWSA-N 1 3 252.318 -1.634 20 0 CAADHO CO[C@@H](C[NH3+])CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000519820912 269089736 /nfs/dbraw/zinc/08/97/36/269089736.db2.gz CPMHRJPEBYOBIZ-MRVPVSSYSA-N 1 3 283.336 -1.483 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420000651 277216140 /nfs/dbraw/zinc/21/61/40/277216140.db2.gz UHEYTBITFRVUKV-NSHDSACASA-N 1 3 288.392 -1.124 20 0 CAADHO C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570818128 327621340 /nfs/dbraw/zinc/62/13/40/327621340.db2.gz LRZXHZXBLZTCOB-OPRDCNLKSA-N 1 3 269.349 -1.465 20 0 CAADHO [NH3+]C[C@@H]1CN(C(=O)CCOC2CNC2)CCCO1 ZINC000570842150 327624663 /nfs/dbraw/zinc/62/46/63/327624663.db2.gz SCJGTRWWEHCELU-SNVBAGLBSA-N 1 3 257.334 -1.059 20 0 CAADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000580054940 327684773 /nfs/dbraw/zinc/68/47/73/327684773.db2.gz PLDGQZIPLKPMRD-NWDGAFQWSA-N 1 3 299.419 -1.456 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580192976 327728082 /nfs/dbraw/zinc/72/80/82/327728082.db2.gz WMWFMOWYPVDKQE-UMNHJUIQSA-N 1 3 268.361 -1.236 20 0 CAADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582350605 328967650 /nfs/dbraw/zinc/96/76/50/328967650.db2.gz BVNMDFKYRDHSCZ-SNVBAGLBSA-N 1 3 254.334 -1.373 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3CC[NH2+]CC3)CCN2C1=O ZINC000563451759 328066233 /nfs/dbraw/zinc/06/62/33/328066233.db2.gz NMMRHBYMJZSJNK-VXGBXAGGSA-N 1 3 295.387 -1.061 20 0 CAADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563452135 328066436 /nfs/dbraw/zinc/06/64/36/328066436.db2.gz SESZPFYZXXWDIO-GARJFASQSA-N 1 3 283.376 -1.077 20 0 CAADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563452138 328066520 /nfs/dbraw/zinc/06/65/20/328066520.db2.gz SESZPFYZXXWDIO-OUAUKWLOSA-N 1 3 283.376 -1.077 20 0 CAADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563452137 328066671 /nfs/dbraw/zinc/06/66/71/328066671.db2.gz SESZPFYZXXWDIO-HBNTYKKESA-N 1 3 283.376 -1.077 20 0 CAADHO C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563452524 328067057 /nfs/dbraw/zinc/06/70/57/328067057.db2.gz XMBNLOVWAMYCBT-VHSXEESVSA-N 1 3 269.349 -1.451 20 0 CAADHO CC[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563452563 328067345 /nfs/dbraw/zinc/06/73/45/328067345.db2.gz XUMUIJAJZZYAMK-QWRGUYRKSA-N 1 3 283.376 -1.061 20 0 CAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000567470293 328083119 /nfs/dbraw/zinc/08/31/19/328083119.db2.gz ZASIHXAADYOFBD-RKDXNWHRSA-N 1 3 290.314 -1.032 20 0 CAADHO O=C(COC1CNC1)NCCCN1CC[NH2+]CC1 ZINC000571439231 328122239 /nfs/dbraw/zinc/12/22/39/328122239.db2.gz MHVIIBYIZGBKFQ-UHFFFAOYSA-N 1 3 256.350 -1.614 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[NH2+]C[C@@H]3CCCO3)CCN2C1=O ZINC000575763594 328123411 /nfs/dbraw/zinc/12/34/11/328123411.db2.gz WPBWWIUHKSVPOJ-SDDRHHMPSA-N 1 3 296.371 -1.475 20 0 CAADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571658427 328315244 /nfs/dbraw/zinc/31/52/44/328315244.db2.gz HRAJHDYBCGJQEO-ZRUFSTJUSA-N 1 3 266.345 -1.245 20 0 CAADHO C[C@@H](CNC(=O)C(=O)NC1CNC1)C[NH+]1CCCC1 ZINC000557278856 326999908 /nfs/dbraw/zinc/99/99/08/326999908.db2.gz BXUNGWFUAWADPO-JTQLQIEISA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H](CNC(=O)C(=O)NC1CNC1)C[NH+]1CCCC1 ZINC000557278860 326999921 /nfs/dbraw/zinc/99/99/21/326999921.db2.gz BXUNGWFUAWADPO-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO CC[NH+](CC)CCOCCNC(=O)C(=O)NC1CNC1 ZINC000557297420 327000872 /nfs/dbraw/zinc/00/08/72/327000872.db2.gz LDCGNRFQWNLMMO-UHFFFAOYSA-N 1 3 286.376 -1.451 20 0 CAADHO COCCNCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000576753242 327039288 /nfs/dbraw/zinc/03/92/88/327039288.db2.gz FBGZTCCHYLKVAT-LLVKDONJSA-N 1 3 286.376 -1.464 20 0 CAADHO COCCNCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000576753249 327039504 /nfs/dbraw/zinc/03/95/04/327039504.db2.gz FBGZTCCHYLKVAT-NSHDSACASA-N 1 3 286.376 -1.464 20 0 CAADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000569339239 327096541 /nfs/dbraw/zinc/09/65/41/327096541.db2.gz WUXQUYOIVDNBPS-NSHDSACASA-N 1 3 298.387 -1.322 20 0 CAADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573267380 327131053 /nfs/dbraw/zinc/13/10/53/327131053.db2.gz GRCMTRMZFZVTSX-LSJOCFKGSA-N 1 3 266.345 -1.103 20 0 CAADHO CC[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573699350 327252651 /nfs/dbraw/zinc/25/26/51/327252651.db2.gz HEQULIYEDIMNQT-GMTAPVOTSA-N 1 3 283.376 -1.062 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495877 327399410 /nfs/dbraw/zinc/39/94/10/327399410.db2.gz LNNYDEDSUYKFCI-OUAUKWLOSA-N 1 3 298.412 -1.148 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]C1 ZINC000566573046 327413584 /nfs/dbraw/zinc/41/35/84/327413584.db2.gz VYMXBXYCCPGPCY-NRUUGDAUSA-N 1 3 266.345 -1.244 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]([NH3+])C3CC3)CCN2C1=O ZINC000569989682 327560653 /nfs/dbraw/zinc/56/06/53/327560653.db2.gz PAVYSLZKDKQMEN-AXFHLTTASA-N 1 3 281.360 -1.323 20 0 CAADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]([NH3+])C3CC3)CCN2C1=O ZINC000569989683 327560771 /nfs/dbraw/zinc/56/07/71/327560771.db2.gz PAVYSLZKDKQMEN-GMTAPVOTSA-N 1 3 281.360 -1.323 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617470 329118442 /nfs/dbraw/zinc/11/84/42/329118442.db2.gz PNYCJXONHWPSIF-DCAQKATOSA-N 1 3 281.360 -1.308 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617466 329118468 /nfs/dbraw/zinc/11/84/68/329118468.db2.gz PNYCJXONHWPSIF-AXFHLTTASA-N 1 3 281.360 -1.308 20 0 CAADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CNC1 ZINC000582715721 329129593 /nfs/dbraw/zinc/12/95/93/329129593.db2.gz SJRNXVOTBHXVBS-SNVBAGLBSA-N 1 3 268.361 -1.125 20 0 CAADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CNC1 ZINC000582715721 329129594 /nfs/dbraw/zinc/12/95/94/329129594.db2.gz SJRNXVOTBHXVBS-SNVBAGLBSA-N 1 3 268.361 -1.125 20 0 CAADHO NC(=O)NC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000575401077 335100792 /nfs/dbraw/zinc/10/07/92/335100792.db2.gz GLUPDBOWUKQQEE-SECBINFHSA-N 1 3 258.322 -1.382 20 0 CAADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000575902657 335129633 /nfs/dbraw/zinc/12/96/33/335129633.db2.gz JLSJSPOSMRUKRC-UHFFFAOYSA-N 1 3 256.350 -1.127 20 0 CAADHO CN(C)CCOCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564208992 333612902 /nfs/dbraw/zinc/61/29/02/333612902.db2.gz FMIDSQOVWWBJSA-LLVKDONJSA-N 1 3 286.376 -1.451 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576174004 335165287 /nfs/dbraw/zinc/16/52/87/335165287.db2.gz PBUKCBPYVCCUDX-HBNTYKKESA-N 1 3 283.376 -1.110 20 0 CAADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576174003 335165453 /nfs/dbraw/zinc/16/54/53/335165453.db2.gz PBUKCBPYVCCUDX-GARJFASQSA-N 1 3 283.376 -1.110 20 0 CAADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310518 334051779 /nfs/dbraw/zinc/05/17/79/334051779.db2.gz CEUXPMHPGATPQZ-SNVBAGLBSA-N 1 3 254.334 -1.325 20 0 CAADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000564656194 334515239 /nfs/dbraw/zinc/51/52/39/334515239.db2.gz JELKSEWNKIYZJC-GHMZBOCLSA-N 1 3 288.392 -1.077 20 0 CAADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000564947318 334529903 /nfs/dbraw/zinc/52/99/03/334529903.db2.gz JXVICPIDWBOSLJ-JTQLQIEISA-N 1 3 284.360 -1.712 20 0 CAADHO N[C@H]1C[C@@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251030 334548092 /nfs/dbraw/zinc/54/80/92/334548092.db2.gz SQDUBFGFLIRHPV-BDAKNGLRSA-N 1 3 253.306 -2.088 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251044 334548118 /nfs/dbraw/zinc/54/81/18/334548118.db2.gz SQDUBFGFLIRHPV-IUCAKERBSA-N 1 3 253.306 -2.088 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000566237469 334637757 /nfs/dbraw/zinc/63/77/57/334637757.db2.gz VULLOXVUDGGDEZ-KOLCDFICSA-N 1 3 256.350 -1.046 20 0 CAADHO COC[C@@]1(C(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000566909885 334668952 /nfs/dbraw/zinc/66/89/52/334668952.db2.gz QDWKPMHFLADAEC-ZYHUDNBSSA-N 1 3 257.334 -1.283 20 0 CAADHO COC[C@@]1(C(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000566909882 334669017 /nfs/dbraw/zinc/66/90/17/334669017.db2.gz QDWKPMHFLADAEC-CMPLNLGQSA-N 1 3 257.334 -1.283 20 0 CAADHO CO[C@@H](CN)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581040 334736681 /nfs/dbraw/zinc/73/66/81/334736681.db2.gz OAVIHOQGILZSNI-IUCAKERBSA-N 1 3 298.309 -1.088 20 0 CAADHO CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267403 334810858 /nfs/dbraw/zinc/81/08/58/334810858.db2.gz FZBRBYDIWNLFIW-NXEZZACHSA-N 1 3 254.334 -1.245 20 0 CAADHO O=C(CNC1CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000568391425 334822199 /nfs/dbraw/zinc/82/21/99/334822199.db2.gz ZIVLUPJMTZNOCE-UHFFFAOYSA-N 1 3 265.321 -1.095 20 0 CAADHO C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000576598480 335224944 /nfs/dbraw/zinc/22/49/44/335224944.db2.gz NVQMTIJDNLTKMW-OPQQBVKSSA-N 1 3 266.345 -1.101 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576599675 335225242 /nfs/dbraw/zinc/22/52/42/335225242.db2.gz LGDWDFSAZAEPQH-WYUUTHIRSA-N 1 3 295.387 -1.062 20 0 CAADHO O=C(CCOC1CNC1)NCCCN1CC[NH2+]CC1 ZINC000577175585 335315938 /nfs/dbraw/zinc/31/59/38/335315938.db2.gz CWTJEAZPLSHXDZ-UHFFFAOYSA-N 1 3 270.377 -1.224 20 0 CAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577740327 335394953 /nfs/dbraw/zinc/39/49/53/335394953.db2.gz VDMIYCIJQFLUAX-LBPRGKRZSA-N 1 3 299.419 -1.502 20 0 CAADHO CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578767427 335672621 /nfs/dbraw/zinc/67/26/21/335672621.db2.gz UTLANZFJJZXLDR-GUBZILKMSA-N 1 3 254.334 -1.116 20 0 CAADHO CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578767430 335672830 /nfs/dbraw/zinc/67/28/30/335672830.db2.gz UTLANZFJJZXLDR-UTLUCORTSA-N 1 3 254.334 -1.116 20 0 CAADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381623 336066021 /nfs/dbraw/zinc/06/60/21/336066021.db2.gz PNYCJXONHWPSIF-VWYCJHECSA-N 1 3 281.360 -1.308 20 0 CAADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381622 336066173 /nfs/dbraw/zinc/06/61/73/336066173.db2.gz PNYCJXONHWPSIF-OUAUKWLOSA-N 1 3 281.360 -1.308 20 0 CAADHO O=C(C[C@@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581605879 336111003 /nfs/dbraw/zinc/11/10/03/336111003.db2.gz FAZHEPDREVDASZ-QWHCGFSZSA-N 1 3 282.388 -1.129 20 0 CAADHO O=C(C[C@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581605880 336111101 /nfs/dbraw/zinc/11/11/01/336111101.db2.gz FAZHEPDREVDASZ-STQMWFEESA-N 1 3 282.388 -1.129 20 0 CAADHO CN(C)CCOCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000581678250 336127685 /nfs/dbraw/zinc/12/76/85/336127685.db2.gz GRUOFLORODZBFJ-UHFFFAOYSA-N 1 3 274.365 -1.512 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000581727222 336138631 /nfs/dbraw/zinc/13/86/31/336138631.db2.gz RTSIMONDTMPGHX-KOLCDFICSA-N 1 3 256.350 -1.061 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000581825182 336147866 /nfs/dbraw/zinc/14/78/66/336147866.db2.gz GCOPOLZBGHDIGG-KOLCDFICSA-N 1 3 256.350 -1.061 20 0 CAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000581825183 336147975 /nfs/dbraw/zinc/14/79/75/336147975.db2.gz GCOPOLZBGHDIGG-ONGXEEELSA-N 1 3 256.350 -1.061 20 0 CAADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581895859 336162370 /nfs/dbraw/zinc/16/23/70/336162370.db2.gz RIOYHDZNIDMRTB-LPEHRKFASA-N 1 3 254.334 -1.260 20 0 CAADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581895860 336162509 /nfs/dbraw/zinc/16/25/09/336162509.db2.gz RIOYHDZNIDMRTB-OPRDCNLKSA-N 1 3 254.334 -1.260 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001202057169 782109839 /nfs/dbraw/zinc/10/98/39/782109839.db2.gz DOQGQLBZYDQGAY-NEPJUHHUSA-N 1 3 298.387 -1.370 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001202057169 782109845 /nfs/dbraw/zinc/10/98/45/782109845.db2.gz DOQGQLBZYDQGAY-NEPJUHHUSA-N 1 3 298.387 -1.370 20 0 CAADHO [NH3+]C1CC2(C1)CC(NS(=O)(=O)N1CCNCC1)C2 ZINC000923634252 782122312 /nfs/dbraw/zinc/12/23/12/782122312.db2.gz DBDCWKOMJQWARE-UHFFFAOYSA-N 1 3 274.390 -1.004 20 0 CAADHO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]12 ZINC000923635613 782122598 /nfs/dbraw/zinc/12/25/98/782122598.db2.gz OIOBDEKXJQETDW-GARJFASQSA-N 1 3 274.390 -1.195 20 0 CAADHO C[NH+](C)CCN1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062185 782132426 /nfs/dbraw/zinc/13/24/26/782132426.db2.gz MYXNMHRSURBEBI-CYBMUJFWSA-N 1 3 268.361 -1.042 20 0 CAADHO C[NH+](C)CCN1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062188 782132731 /nfs/dbraw/zinc/13/27/31/782132731.db2.gz MYXNMHRSURBEBI-ZDUSSCGKSA-N 1 3 268.361 -1.042 20 0 CAADHO C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@H](O)CO)C1=O ZINC001274565715 782151508 /nfs/dbraw/zinc/15/15/08/782151508.db2.gz SEOTZKGWNHTKGF-JSGCOSHPSA-N 1 3 285.388 -1.032 20 0 CAADHO C[NH+](C)CCN1CC[C@]2(CCCN2C[C@H](O)CO)C1=O ZINC001274565714 782151675 /nfs/dbraw/zinc/15/16/75/782151675.db2.gz SEOTZKGWNHTKGF-GXTWGEPZSA-N 1 3 285.388 -1.032 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000262547810 533805334 /nfs/dbraw/zinc/80/53/34/533805334.db2.gz WAYUQGLDLHXQCH-VHSXEESVSA-N 1 3 256.350 -1.140 20 0 CAADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000236838270 520571086 /nfs/dbraw/zinc/57/10/86/520571086.db2.gz JPULRMABBINJHC-UHFFFAOYSA-N 1 3 256.350 -1.042 20 0 CAADHO COCCN(C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000061380654 523589282 /nfs/dbraw/zinc/58/92/82/523589282.db2.gz NHEIYYOQWTYBJP-UHFFFAOYSA-N 1 3 258.366 -1.414 20 0 CAADHO CC1CCN(CCNC(=O)C(=O)NCC[NH3+])CC1 ZINC000040770949 528243150 /nfs/dbraw/zinc/24/31/50/528243150.db2.gz KZGOFWNKCTVWKJ-UHFFFAOYSA-N 1 3 256.350 -1.091 20 0 CAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(CCN)CCO ZINC000419786112 528263094 /nfs/dbraw/zinc/26/30/94/528263094.db2.gz UGVUFCWTDGYFNG-LLVKDONJSA-N 1 3 288.392 -1.388 20 0 CAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(CO)CO ZINC000665758947 545499627 /nfs/dbraw/zinc/49/96/27/545499627.db2.gz UVSXZQVCOKBEPB-NSHDSACASA-N 1 3 290.408 -1.089 20 0 CAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(CO)CO ZINC000665758947 545499628 /nfs/dbraw/zinc/49/96/28/545499628.db2.gz UVSXZQVCOKBEPB-NSHDSACASA-N 1 3 290.408 -1.089 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843811 545541181 /nfs/dbraw/zinc/54/11/81/545541181.db2.gz GYORPHAOXAXZDT-GMTAPVOTSA-N 1 3 268.361 -1.011 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843811 545541185 /nfs/dbraw/zinc/54/11/85/545541185.db2.gz GYORPHAOXAXZDT-GMTAPVOTSA-N 1 3 268.361 -1.011 20 0 CAADHO COCCN(C)CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358702479 545541739 /nfs/dbraw/zinc/54/17/39/545541739.db2.gz FNCYVJYTMKBMRE-CYBMUJFWSA-N 1 3 288.392 -1.070 20 0 CAADHO COCCN(C)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358702479 545541740 /nfs/dbraw/zinc/54/17/40/545541740.db2.gz FNCYVJYTMKBMRE-CYBMUJFWSA-N 1 3 288.392 -1.070 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000662751272 545580078 /nfs/dbraw/zinc/58/00/78/545580078.db2.gz YCEDBMOSTFPUDA-SDBXPKJASA-N 1 3 293.327 -1.507 20 0 CAADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000843497167 582109111 /nfs/dbraw/zinc/10/91/11/582109111.db2.gz FTBGFOZANAJDPE-WDEREUQCSA-N 1 3 257.334 -1.140 20 0 CAADHO CNS(=O)(=O)CCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000634727049 582109728 /nfs/dbraw/zinc/10/97/28/582109728.db2.gz JGLSCMRDRNWXFK-NSHDSACASA-N 1 3 279.406 -1.030 20 0 CAADHO CNS(=O)(=O)CCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000634727049 582109729 /nfs/dbraw/zinc/10/97/29/582109729.db2.gz JGLSCMRDRNWXFK-NSHDSACASA-N 1 3 279.406 -1.030 20 0 CAADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000842255565 582212713 /nfs/dbraw/zinc/21/27/13/582212713.db2.gz VOXXBELLLRPKMR-NSHDSACASA-N 1 3 287.408 -1.598 20 0 CAADHO CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000843356718 582213928 /nfs/dbraw/zinc/21/39/28/582213928.db2.gz WTPAAPKKYIFGOT-VXGBXAGGSA-N 1 3 270.377 -1.144 20 0 CAADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000843497161 582214997 /nfs/dbraw/zinc/21/49/97/582214997.db2.gz FTBGFOZANAJDPE-MNOVXSKESA-N 1 3 257.334 -1.140 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851684556 582228998 /nfs/dbraw/zinc/22/89/98/582228998.db2.gz JAPXUUQGURTVKS-TUAOUCFPSA-N 1 3 298.387 -1.310 20 0 CAADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685998 582229151 /nfs/dbraw/zinc/22/91/51/582229151.db2.gz YIPVSKUINVKVRN-SDDRHHMPSA-N 1 3 296.371 -1.556 20 0 CAADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685993 582229158 /nfs/dbraw/zinc/22/91/58/582229158.db2.gz YIPVSKUINVKVRN-QJPTWQEYSA-N 1 3 296.371 -1.556 20 0 CAADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851685003 582229175 /nfs/dbraw/zinc/22/91/75/582229175.db2.gz OMSUAPGYZFWCNG-NEPJUHHUSA-N 1 3 298.387 -1.227 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851684555 582229179 /nfs/dbraw/zinc/22/91/79/582229179.db2.gz JAPXUUQGURTVKS-SRVKXCTJSA-N 1 3 298.387 -1.310 20 0 CAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851684554 582229193 /nfs/dbraw/zinc/22/91/93/582229193.db2.gz JAPXUUQGURTVKS-SDDRHHMPSA-N 1 3 298.387 -1.310 20 0 CAADHO NC[C@H]1CC(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)=NO1 ZINC000852795555 582230608 /nfs/dbraw/zinc/23/06/08/582230608.db2.gz XVGFLDUKXRLIOA-NXEZZACHSA-N 1 3 297.359 -1.597 20 0 CAADHO NC[C@H]1CC(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)=NO1 ZINC000852795588 582230612 /nfs/dbraw/zinc/23/06/12/582230612.db2.gz XVGFLDUKXRLIOA-VHSXEESVSA-N 1 3 297.359 -1.597 20 0 CAADHO NC[C@@H]1CC(C(=O)NCCN2CC[NH2+]CC2)=NO1 ZINC000852793167 582230628 /nfs/dbraw/zinc/23/06/28/582230628.db2.gz SOAZAJUWRHCNDF-VIFPVBQESA-N 1 3 255.322 -1.889 20 0 CAADHO COCCN1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867530 582231565 /nfs/dbraw/zinc/23/15/65/582231565.db2.gz XCBNDOJSCVXVPT-ZJUUUORDSA-N 1 3 270.333 -1.073 20 0 CAADHO CCN1CCN(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873303 582231592 /nfs/dbraw/zinc/23/15/92/582231592.db2.gz REXWTDYRRZZAMB-NSHDSACASA-N 1 3 283.376 -1.156 20 0 CAADHO COC[C@@]1(CNC(=O)C2=NO[C@H](CN)C2)CCC[NH2+]1 ZINC000852879398 582231739 /nfs/dbraw/zinc/23/17/39/582231739.db2.gz DUGQJHMNCCPTJV-CABZTGNLSA-N 1 3 270.333 -1.025 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880244 582231744 /nfs/dbraw/zinc/23/17/44/582231744.db2.gz KZYGYPLQGDTJHJ-MNOVXSKESA-N 1 3 281.360 -1.404 20 0 CAADHO NC[C@H]1CC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881610 582231874 /nfs/dbraw/zinc/23/18/74/582231874.db2.gz YMTORSFXQSMKRF-GHMZBOCLSA-N 1 3 281.360 -1.404 20 0 CAADHO NC[C@@H]1CC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880245 582231880 /nfs/dbraw/zinc/23/18/80/582231880.db2.gz KZYGYPLQGDTJHJ-QWRGUYRKSA-N 1 3 281.360 -1.404 20 0 CAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852908020 582232566 /nfs/dbraw/zinc/23/25/66/582232566.db2.gz REFMLJWXTFITBX-JTQLQIEISA-N 1 3 299.375 -1.432 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861754708 582244840 /nfs/dbraw/zinc/24/48/40/582244840.db2.gz JOQFNVUESYFJML-SDDRHHMPSA-N 1 3 298.387 -1.229 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861754700 582244903 /nfs/dbraw/zinc/24/49/03/582244903.db2.gz JOQFNVUESYFJML-QJPTWQEYSA-N 1 3 298.387 -1.229 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861755038 582244920 /nfs/dbraw/zinc/24/49/20/582244920.db2.gz LYWJHIUHNPYFHA-RYUDHWBXSA-N 1 3 298.387 -1.227 20 0 CAADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861755037 582244923 /nfs/dbraw/zinc/24/49/23/582244923.db2.gz LYWJHIUHNPYFHA-NWDGAFQWSA-N 1 3 298.387 -1.227 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861757999 582244955 /nfs/dbraw/zinc/24/49/55/582244955.db2.gz OIGPJWRFFNMJAT-LLVKDONJSA-N 1 3 288.392 -1.124 20 0 CAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000861770698 582245088 /nfs/dbraw/zinc/24/50/88/582245088.db2.gz BXLKYORFAIGZSE-JTQLQIEISA-N 1 3 274.365 -1.514 20 0 CAADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863755150 582249788 /nfs/dbraw/zinc/24/97/88/582249788.db2.gz JVLPNGKHXJTHHH-NSHDSACASA-N 1 3 288.392 -1.171 20 0 CAADHO CN(C)CCNC(=O)C(F)C(=O)NCC[NH+](C)C ZINC000864415992 582252429 /nfs/dbraw/zinc/25/24/29/582252429.db2.gz KZCIJDACIXMJFO-UHFFFAOYSA-N 1 3 262.329 -1.320 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390375 582256187 /nfs/dbraw/zinc/25/61/87/582256187.db2.gz ITYNYWVRRDIOGP-WDEREUQCSA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390375 582256188 /nfs/dbraw/zinc/25/61/88/582256188.db2.gz ITYNYWVRRDIOGP-WDEREUQCSA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390371 582256211 /nfs/dbraw/zinc/25/62/11/582256211.db2.gz ITYNYWVRRDIOGP-MNOVXSKESA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390371 582256212 /nfs/dbraw/zinc/25/62/12/582256212.db2.gz ITYNYWVRRDIOGP-MNOVXSKESA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390373 582256239 /nfs/dbraw/zinc/25/62/39/582256239.db2.gz ITYNYWVRRDIOGP-QWRGUYRKSA-N 1 3 268.361 -1.044 20 0 CAADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390373 582256240 /nfs/dbraw/zinc/25/62/40/582256240.db2.gz ITYNYWVRRDIOGP-QWRGUYRKSA-N 1 3 268.361 -1.044 20 0 CAADHO COCCC[N@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000876770579 582263041 /nfs/dbraw/zinc/26/30/41/582263041.db2.gz HPSQUXVVOWYFRF-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO COCCC[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000876770579 582263042 /nfs/dbraw/zinc/26/30/42/582263042.db2.gz HPSQUXVVOWYFRF-NSHDSACASA-N 1 3 260.382 -1.040 20 0 CAADHO COCCN1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756583 582263074 /nfs/dbraw/zinc/26/30/74/582263074.db2.gz VQGGCBVXELCIOA-MNOVXSKESA-N 1 3 258.366 -1.288 20 0 CAADHO CN(C)C[C@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000876961467 582263867 /nfs/dbraw/zinc/26/38/67/582263867.db2.gz UYVRCVIZWZXDPZ-LBPRGKRZSA-N 1 3 273.425 -1.125 20 0 CAADHO COCC[C@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000884406259 582274784 /nfs/dbraw/zinc/27/47/84/582274784.db2.gz PLVFGRUNRUSXFP-NSHDSACASA-N 1 3 288.392 -1.171 20 0 CAADHO COCC[C@@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000884406258 582274852 /nfs/dbraw/zinc/27/48/52/582274852.db2.gz PLVFGRUNRUSXFP-LLVKDONJSA-N 1 3 288.392 -1.171 20 0 CAADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884637180 582275621 /nfs/dbraw/zinc/27/56/21/582275621.db2.gz DHBQJWXPDDNLBV-RYUDHWBXSA-N 1 3 298.387 -1.356 20 0 CAADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN)CC[C@H]21 ZINC000884673412 582275865 /nfs/dbraw/zinc/27/58/65/582275865.db2.gz WFSQRFLCVZLXIW-VHSXEESVSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN)CC[C@H]21 ZINC000884673412 582275866 /nfs/dbraw/zinc/27/58/66/582275866.db2.gz WFSQRFLCVZLXIW-VHSXEESVSA-N 1 3 254.334 -1.386 20 0 CAADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)CC1 ZINC000958375788 616167104 /nfs/dbraw/zinc/16/71/04/616167104.db2.gz WCFMDILIOXPMIS-QWHCGFSZSA-N 1 3 285.388 -1.271 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970713498 616265076 /nfs/dbraw/zinc/26/50/76/616265076.db2.gz ZBISBSSVBYUPKD-NXEZZACHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970713498 616265077 /nfs/dbraw/zinc/26/50/77/616265077.db2.gz ZBISBSSVBYUPKD-NXEZZACHSA-N 1 3 254.334 -1.386 20 0 CAADHO C[C@@H]1C[C@@H](NS(=O)(=O)N2CCNCC2)CC[NH2+]1 ZINC000923635843 656811267 /nfs/dbraw/zinc/81/12/67/656811267.db2.gz IFZVQGMXAIOVSJ-ZJUUUORDSA-N 1 3 262.379 -1.134 20 0 CAADHO NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490548 656015894 /nfs/dbraw/zinc/01/58/94/656015894.db2.gz TZSXAAFOECKFFT-SNVBAGLBSA-N 1 3 266.345 -1.242 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145927 656071717 /nfs/dbraw/zinc/07/17/17/656071717.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 1 3 292.383 -1.127 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145927 656071722 /nfs/dbraw/zinc/07/17/22/656071722.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 1 3 292.383 -1.127 20 0 CAADHO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCNCC1 ZINC000903563832 656185025 /nfs/dbraw/zinc/18/50/25/656185025.db2.gz IWSLRVAKOHQNEP-KXUCPTDWSA-N 1 3 260.363 -1.381 20 0 CAADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CCNCC1)C2 ZINC000903580412 656185158 /nfs/dbraw/zinc/18/51/58/656185158.db2.gz XJPRJNMDESHUGM-AXFHLTTASA-N 1 3 274.390 -1.052 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903719246 656186360 /nfs/dbraw/zinc/18/63/60/656186360.db2.gz JEUKMNXXDKHZQF-JTQLQIEISA-N 1 3 256.350 -1.044 20 0 CAADHO C[C@@](Cn1cccn1)(NCCN1CC[NH2+]CC1)C(N)=O ZINC000903829869 656187361 /nfs/dbraw/zinc/18/73/61/656187361.db2.gz MXTAFMBBPCGQFC-ZDUSSCGKSA-N 1 3 280.376 -1.378 20 0 CAADHO CN1CCN(C)[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906649926 656193960 /nfs/dbraw/zinc/19/39/60/656193960.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 1 3 297.447 -1.158 20 0 CAADHO CN1CCN(C)[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906649926 656193961 /nfs/dbraw/zinc/19/39/61/656193961.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 1 3 297.447 -1.158 20 0 CAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911071663 656233668 /nfs/dbraw/zinc/23/36/68/656233668.db2.gz CEFVTZVCEQFWGO-GFCCVEGCSA-N 1 3 299.419 -1.536 20 0 CAADHO COCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911176915 656236428 /nfs/dbraw/zinc/23/64/28/656236428.db2.gz QIUOCKKHUXCZPF-UHFFFAOYSA-N 1 3 286.376 -1.322 20 0 CAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911244493 656238860 /nfs/dbraw/zinc/23/88/60/656238860.db2.gz NWNWPXIOPIDKPZ-UHFFFAOYSA-N 1 3 299.419 -1.534 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000911381439 656242727 /nfs/dbraw/zinc/24/27/27/656242727.db2.gz WYPZQWBIQUBASM-MNOVXSKESA-N 1 3 270.377 -1.022 20 0 CAADHO CN(C)CCN(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411234 656243635 /nfs/dbraw/zinc/24/36/35/656243635.db2.gz HHFUKFZPIPSXSS-UHFFFAOYSA-N 1 3 299.419 -1.454 20 0 CAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CNCCN2C)CCO1 ZINC000911882245 656255222 /nfs/dbraw/zinc/25/52/22/656255222.db2.gz UIKDDWUIWRHHNL-HBNTYKKESA-N 1 3 256.350 -1.535 20 0 CAADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351304 656281439 /nfs/dbraw/zinc/28/14/39/656281439.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 1 3 271.361 -1.376 20 0 CAADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351304 656281443 /nfs/dbraw/zinc/28/14/43/656281443.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 1 3 271.361 -1.376 20 0 CAADHO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639339 656811706 /nfs/dbraw/zinc/81/17/06/656811706.db2.gz LGYIOPPQTNMBJK-NXEZZACHSA-N 1 3 262.379 -1.134 20 0 CAADHO C[C@@H]1C[C@H](NS(=O)(=O)N2CCNCC2)CC[NH2+]1 ZINC000923635838 656811712 /nfs/dbraw/zinc/81/17/12/656811712.db2.gz IFZVQGMXAIOVSJ-NXEZZACHSA-N 1 3 262.379 -1.134 20 0 CAADHO OCCN(CCN1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923323263 656803207 /nfs/dbraw/zinc/80/32/07/656803207.db2.gz WMFSTNHSRVWTAP-CQSZACIVSA-N 1 3 299.415 -1.009 20 0 CAADHO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923651983 656812198 /nfs/dbraw/zinc/81/21/98/656812198.db2.gz JZPAXQBBWUUQDH-VHSXEESVSA-N 1 3 262.379 -1.052 20 0 CAADHO [NH3+][C@@H]1CC[C@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000923548889 656806088 /nfs/dbraw/zinc/80/60/88/656806088.db2.gz BLGJRRMGIOQIAY-AXFHLTTASA-N 1 3 274.390 -1.052 20 0 CAADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000923487791 656806124 /nfs/dbraw/zinc/80/61/24/656806124.db2.gz NUPAXSUFMZCLGE-SNVBAGLBSA-N 1 3 254.334 -1.385 20 0 CAADHO O=S1(=O)NC[C@@H]2CN(CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549209 656806136 /nfs/dbraw/zinc/80/61/36/656806136.db2.gz GHBRPDRTOUKBQU-WDEREUQCSA-N 1 3 274.390 -1.180 20 0 CAADHO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923576410 656806753 /nfs/dbraw/zinc/80/67/53/656806753.db2.gz IKGHSYWBLCFGEK-NXEZZACHSA-N 1 3 278.378 -1.816 20 0 CAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1[NH3+] ZINC000923568167 656806861 /nfs/dbraw/zinc/80/68/61/656806861.db2.gz FNUAUSOYEQDNFK-UWVGGRQHSA-N 1 3 262.379 -1.195 20 0 CAADHO CC(C)[C@@H]([NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923572664 656806993 /nfs/dbraw/zinc/80/69/93/656806993.db2.gz KOKYKHNGLRLTRL-VIFPVBQESA-N 1 3 250.368 -1.291 20 0 CAADHO CN1CCN(S(=O)(=O)N2CCNCC2)[C@H](C[NH3+])C1 ZINC000923578044 656807232 /nfs/dbraw/zinc/80/72/32/656807232.db2.gz XBXXTJOWECWRHY-SNVBAGLBSA-N 1 3 277.394 -2.289 20 0 CAADHO [NH3+]C[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923564650 656807357 /nfs/dbraw/zinc/80/73/57/656807357.db2.gz AWUFHKGAUUQYMP-SNVBAGLBSA-N 1 3 262.379 -1.193 20 0 CAADHO O=S(=O)(C1CNC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923643837 656811306 /nfs/dbraw/zinc/81/13/06/656811306.db2.gz MWXGPWXNVUMOST-JTQLQIEISA-N 1 3 274.390 -1.733 20 0 CAADHO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923637628 656811316 /nfs/dbraw/zinc/81/13/16/656811316.db2.gz RMIIOINGRJTAJK-NXEZZACHSA-N 1 3 262.379 -1.195 20 0 CAADHO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)N1CCNCC1 ZINC000923641474 656811354 /nfs/dbraw/zinc/81/13/54/656811354.db2.gz UUHZXXFQRDPYCK-JTQLQIEISA-N 1 3 274.390 -1.132 20 0 CAADHO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923639046 656811462 /nfs/dbraw/zinc/81/14/62/656811462.db2.gz WIAQRBJOBBWQOU-VHSXEESVSA-N 1 3 262.379 -1.276 20 0 CAADHO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923640085 656811550 /nfs/dbraw/zinc/81/15/50/656811550.db2.gz XPBUJSSQXLJGQV-NXEZZACHSA-N 1 3 262.379 -1.276 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]12 ZINC000923635621 656811625 /nfs/dbraw/zinc/81/16/25/656811625.db2.gz OIOBDEKXJQETDW-OUAUKWLOSA-N 1 3 274.390 -1.195 20 0 CAADHO O=S(=O)(NCCC[NH2+]C1CC1)N1CCNCC1 ZINC000923640534 656811881 /nfs/dbraw/zinc/81/18/81/656811881.db2.gz FMZMPQMAAPVTRU-UHFFFAOYSA-N 1 3 262.379 -1.132 20 0 CAADHO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923637633 656811969 /nfs/dbraw/zinc/81/19/69/656811969.db2.gz RMIIOINGRJTAJK-ZJUUUORDSA-N 1 3 262.379 -1.195 20 0 CAADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)CCCC1 ZINC000923654073 656812243 /nfs/dbraw/zinc/81/22/43/656812243.db2.gz FCSNPIQQRLZCCT-UHFFFAOYSA-N 1 3 262.379 -1.003 20 0 CAADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCCO1 ZINC000923648149 656812256 /nfs/dbraw/zinc/81/22/56/656812256.db2.gz QVHYMEFLBJIXLS-SNVBAGLBSA-N 1 3 278.378 -1.814 20 0 CAADHO COCC1(CNS(=O)(=O)C2CNC2)CC[NH2+]CC1 ZINC000923647554 656812365 /nfs/dbraw/zinc/81/23/65/656812365.db2.gz ZUVCVHIJIPRMIC-UHFFFAOYSA-N 1 3 277.390 -1.106 20 0 CAADHO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)N1CCNCC1 ZINC000923644501 656812398 /nfs/dbraw/zinc/81/23/98/656812398.db2.gz IDQWWGQGQXOYEL-SNVBAGLBSA-N 1 3 278.378 -1.896 20 0 CAADHO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923650239 656812644 /nfs/dbraw/zinc/81/26/44/656812644.db2.gz KSCRSTFMHIKHPG-NXEZZACHSA-N 1 3 262.379 -1.004 20 0 CAADHO O=S(=O)(NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000923648146 656812670 /nfs/dbraw/zinc/81/26/70/656812670.db2.gz QQOATTYXCREPER-VHSXEESVSA-N 1 3 263.363 -1.354 20 0 CAADHO CC(C)(CC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923648921 656812688 /nfs/dbraw/zinc/81/26/88/656812688.db2.gz JWKQEDAWXDZSCT-UHFFFAOYSA-N 1 3 250.368 -1.147 20 0 CAADHO Cn1cc([C@@H]2CN(S(=O)(=O)C3CNC3)C[C@H]2[NH3+])cn1 ZINC000923651731 656812735 /nfs/dbraw/zinc/81/27/35/656812735.db2.gz XKQLNQVICFBJII-WDEREUQCSA-N 1 3 285.373 -1.552 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923651981 656812767 /nfs/dbraw/zinc/81/27/67/656812767.db2.gz JZPAXQBBWUUQDH-NXEZZACHSA-N 1 3 262.379 -1.052 20 0 CAADHO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923659629 656813002 /nfs/dbraw/zinc/81/30/02/656813002.db2.gz OOEOFGUSCOWIMG-QWRGUYRKSA-N 1 3 274.390 -1.050 20 0 CAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000923667051 656813045 /nfs/dbraw/zinc/81/30/45/656813045.db2.gz RGJKCGJXYYYRSC-VHSXEESVSA-N 1 3 262.379 -1.337 20 0 CAADHO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)N1CCNCC1)C2 ZINC000923659630 656813051 /nfs/dbraw/zinc/81/30/51/656813051.db2.gz OOEOFGUSCOWIMG-WDEREUQCSA-N 1 3 274.390 -1.050 20 0 CAADHO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)N1CCNCC1 ZINC000923659136 656813070 /nfs/dbraw/zinc/81/30/70/656813070.db2.gz LCGQFCYJQOWNNE-ZETCQYMHSA-N 1 3 290.311 -1.042 20 0 CAADHO O=S(=O)(NCC12CC(C1)C[NH2+]2)N1CCNCC1 ZINC000923657992 656813095 /nfs/dbraw/zinc/81/30/95/656813095.db2.gz GPKXFKWOQXFZNT-UHFFFAOYSA-N 1 3 260.363 -1.522 20 0 CAADHO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)N1CCNCC1 ZINC000923659135 656813237 /nfs/dbraw/zinc/81/32/37/656813237.db2.gz LCGQFCYJQOWNNE-SSDOTTSWSA-N 1 3 290.311 -1.042 20 0 CAADHO C[C@H]1CC[C@@H](NS(=O)(=O)N2CCNCC2)C[NH2+]1 ZINC000923661652 656813328 /nfs/dbraw/zinc/81/33/28/656813328.db2.gz HIMMTPGPZHMCPS-VHSXEESVSA-N 1 3 262.379 -1.134 20 0 CAADHO [NH3+]CC12CC(C1)CN2S(=O)(=O)N1CCNCC1 ZINC000923655183 656813422 /nfs/dbraw/zinc/81/34/22/656813422.db2.gz OJLZNHKNRLWBOD-UHFFFAOYSA-N 1 3 260.363 -1.441 20 0 CAADHO CN(CC(C)(C)[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923656821 656813451 /nfs/dbraw/zinc/81/34/51/656813451.db2.gz ZEEIMSOIOVGAIX-UHFFFAOYSA-N 1 3 250.368 -1.195 20 0 CAADHO CO[C@@H]1CN(S(=O)(=O)N2CCNCC2)[C@@](C)(C[NH3+])C1 ZINC000923661272 656813635 /nfs/dbraw/zinc/81/36/35/656813635.db2.gz CTNODHAZCSFDCI-WDEREUQCSA-N 1 3 292.405 -1.426 20 0 CAADHO [NH3+]CCCOCCNS(=O)(=O)N1CCNCC1 ZINC000923664178 656813724 /nfs/dbraw/zinc/81/37/24/656813724.db2.gz UXJJPGYDYIZETP-UHFFFAOYSA-N 1 3 266.367 -1.909 20 0 CAADHO CC(C)([NH3+])CCNS(=O)(=O)N1CCNCC1 ZINC000923675367 656814389 /nfs/dbraw/zinc/81/43/89/656814389.db2.gz SMLFLEIQCWYOEM-UHFFFAOYSA-N 1 3 250.368 -1.147 20 0 CAADHO [NH3+]C1CCN(CCNS(=O)(=O)N2CCNCC2)CC1 ZINC000923677839 656814078 /nfs/dbraw/zinc/81/40/78/656814078.db2.gz OEWGXRRDNOAXRP-UHFFFAOYSA-N 1 3 291.421 -1.851 20 0 CAADHO [NH3+]C1CCN(CCNS(=O)(=O)C2CNC2)CC1 ZINC000923676833 656814119 /nfs/dbraw/zinc/81/41/19/656814119.db2.gz ATVUAAJVTYEVDX-UHFFFAOYSA-N 1 3 262.379 -1.699 20 0 CAADHO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)N1CCNCC1 ZINC000923674621 656814158 /nfs/dbraw/zinc/81/41/58/656814158.db2.gz SCEYKOBXVMUKGS-SECBINFHSA-N 1 3 298.359 -1.029 20 0 CAADHO CCO[C@H](CNS(=O)(=O)N1CCNCC1)C[NH+](C)C ZINC000923675501 656814354 /nfs/dbraw/zinc/81/43/54/656814354.db2.gz BEYLMNYBZHYSFA-LLVKDONJSA-N 1 3 294.421 -1.307 20 0 CAADHO CC1(C)CN(S(=O)(=O)N2CCNCC2)C[C@H]1[NH3+] ZINC000923678006 656814369 /nfs/dbraw/zinc/81/43/69/656814369.db2.gz QQAHMJHZOQQJLB-SECBINFHSA-N 1 3 262.379 -1.195 20 0 CAADHO C[NH+](C)CCCS(=O)(=O)N1CCNCCNCC1 ZINC000923694455 656816296 /nfs/dbraw/zinc/81/62/96/656816296.db2.gz YNKSMWSUHBIDTR-UHFFFAOYSA-N 1 3 278.422 -1.237 20 0 CAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926301075 656821857 /nfs/dbraw/zinc/82/18/57/656821857.db2.gz WXCALJVDTAZCCP-UHFFFAOYSA-N 1 3 299.419 -1.582 20 0 CAADHO C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926332786 656821891 /nfs/dbraw/zinc/82/18/91/656821891.db2.gz ZQZVLBMKYSJBDH-LBPRGKRZSA-N 1 3 297.403 -1.830 20 0 CAADHO CCS(=O)(=O)NCCNCCNC(=O)CC[NH+](C)C ZINC001133291724 776773413 /nfs/dbraw/zinc/77/34/13/776773413.db2.gz XQYPTFTUDIWSJN-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288099 776774473 /nfs/dbraw/zinc/77/44/73/776774473.db2.gz RQMNFTPRJBNHKG-UHFFFAOYSA-N 1 3 299.375 -1.510 20 0 CAADHO C[NH+]1CCC(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001133286995 776774697 /nfs/dbraw/zinc/77/46/97/776774697.db2.gz BIKAXDFVADHBGX-LLVKDONJSA-N 1 3 268.361 -1.078 20 0 CAADHO O=C(NCCN1CCCOCC1)N1CCNCC[NH2+]CC1 ZINC001120622653 779643378 /nfs/dbraw/zinc/64/33/78/779643378.db2.gz AOVSECYGCJSBBR-UHFFFAOYSA-N 1 3 299.419 -1.087 20 0 CAADHO [NH3+]CCNCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001122535656 779672481 /nfs/dbraw/zinc/67/24/81/779672481.db2.gz DSXULQIVFDNFBB-NEPJUHHUSA-N 1 3 270.377 -1.408 20 0 CAADHO C[C@H]1COCCN1CCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220725629 780375349 /nfs/dbraw/zinc/37/53/49/780375349.db2.gz VWESYTARIZFCFP-QWRGUYRKSA-N 1 3 258.366 -1.111 20 0 CAADHO NCCS(=O)(=O)N1CCCC[C@](O)(C[NH3+])C1 ZINC001238944222 780526120 /nfs/dbraw/zinc/52/61/20/780526120.db2.gz PHWVQSIZXJIJSW-VIFPVBQESA-N 1 3 251.352 -1.549 20 0 CAADHO NCCS(=O)(=O)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001238944221 780526219 /nfs/dbraw/zinc/52/62/19/780526219.db2.gz PHWVQSIZXJIJSW-SECBINFHSA-N 1 3 251.352 -1.549 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CCN ZINC001238917890 780526291 /nfs/dbraw/zinc/52/62/91/780526291.db2.gz POPNGOPCWCYGOM-QMMMGPOBSA-N 1 3 266.367 -1.892 20 0 CAADHO [NH3+]CCS(=O)(=O)N1CCOC[C@@]2(CNCCO2)C1 ZINC001238999784 780527295 /nfs/dbraw/zinc/52/72/95/780527295.db2.gz LAGASYKPZKKXRJ-SNVBAGLBSA-N 1 3 279.362 -2.034 20 0 CAADHO NCCS(=O)(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001239005803 780527447 /nfs/dbraw/zinc/52/74/47/780527447.db2.gz ROVGDMJMTPCJHU-VIFPVBQESA-N 1 3 262.335 -2.561 20 0 CAADHO NCCS(=O)(=O)N1CCOCC2(CC[NH2+]CC2)C1 ZINC001239004909 780527621 /nfs/dbraw/zinc/52/76/21/780527621.db2.gz JSXOGVKQKICQOI-UHFFFAOYSA-N 1 3 277.390 -1.023 20 0 CAADHO NCCS(=O)(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001239012215 780527907 /nfs/dbraw/zinc/52/79/07/780527907.db2.gz KKTXOBYOPBARHY-NSHDSACASA-N 1 3 288.373 -2.314 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CCN)C1 ZINC001239088874 780530091 /nfs/dbraw/zinc/53/00/91/780530091.db2.gz NAFYSQNKDITCPZ-SFYZADRCSA-N 1 3 265.335 -1.903 20 0 CAADHO COCCN(C1CC[NH2+]CC1)S(=O)(=O)CCN ZINC001239100603 780530310 /nfs/dbraw/zinc/53/03/10/780530310.db2.gz CKKBECXXEGLMBJ-UHFFFAOYSA-N 1 3 265.379 -1.025 20 0 CAADHO COC(=O)[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CCN)C1 ZINC001239088873 780530408 /nfs/dbraw/zinc/53/04/08/780530408.db2.gz NAFYSQNKDITCPZ-JGVFFNPUSA-N 1 3 265.335 -1.903 20 0 CAADHO NCCS(=O)(=O)N(C1COC1)C1CC[NH2+]CC1 ZINC001239098680 780530481 /nfs/dbraw/zinc/53/04/81/780530481.db2.gz BBCARWVHCXWANQ-UHFFFAOYSA-N 1 3 263.363 -1.272 20 0 CAADHO COCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CCN ZINC001239134150 780532956 /nfs/dbraw/zinc/53/29/56/780532956.db2.gz YOTWAHKVBMKBMV-SNVBAGLBSA-N 1 3 265.379 -1.025 20 0 CAADHO COC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1N ZINC001239135209 780533357 /nfs/dbraw/zinc/53/33/57/780533357.db2.gz MUSPGRFIYGWWRG-VHSXEESVSA-N 1 3 291.373 -1.500 20 0 CAADHO COC(=O)[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1N ZINC001239135210 780533373 /nfs/dbraw/zinc/53/33/73/780533373.db2.gz MUSPGRFIYGWWRG-ZJUUUORDSA-N 1 3 291.373 -1.500 20 0 CAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)CCN)CC2 ZINC001239171980 780534599 /nfs/dbraw/zinc/53/45/99/780534599.db2.gz DRYAMPSLERFBTQ-ONGXEEELSA-N 1 3 291.373 -1.498 20 0 CAADHO NCCS(=O)(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001239160936 780534750 /nfs/dbraw/zinc/53/47/50/780534750.db2.gz IEYWDIRGUMEPGU-LLVKDONJSA-N 1 3 276.406 -1.228 20 0 CAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(S(=O)(=O)CCN)CC2 ZINC001239171976 780534899 /nfs/dbraw/zinc/53/48/99/780534899.db2.gz DRYAMPSLERFBTQ-GXSJLCMTSA-N 1 3 291.373 -1.498 20 0 CAADHO CCOC(=O)[C@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599068 780558280 /nfs/dbraw/zinc/55/82/80/780558280.db2.gz CESDRXIMNKHQSR-NWDGAFQWSA-N 1 3 282.388 -1.083 20 0 CAADHO C1[NH2+]CC12C[C@H](N1CC3(C1)CNCCO3)CCN2 ZINC001246617436 780558373 /nfs/dbraw/zinc/55/83/73/780558373.db2.gz CBKOMEIMZUTZBF-LLVKDONJSA-N 1 3 252.362 -1.245 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001221188615 780405981 /nfs/dbraw/zinc/40/59/81/780405981.db2.gz ZFJZZQIRTINAKB-ZJUUUORDSA-N 1 3 283.332 -1.324 20 0 CAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001221188615 780405984 /nfs/dbraw/zinc/40/59/84/780405984.db2.gz ZFJZZQIRTINAKB-ZJUUUORDSA-N 1 3 283.332 -1.324 20 0 CAADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221268818 780412815 /nfs/dbraw/zinc/41/28/15/780412815.db2.gz DIIOWYYPRWFKDG-ZJUUUORDSA-N 1 3 266.345 -1.420 20 0 CAADHO O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001221268815 780412864 /nfs/dbraw/zinc/41/28/64/780412864.db2.gz DIIOWYYPRWFKDG-NXEZZACHSA-N 1 3 266.345 -1.420 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269040 780413048 /nfs/dbraw/zinc/41/30/48/780413048.db2.gz GUOWVLWKSCUZJU-IUCAKERBSA-N 1 3 274.390 -1.210 20 0 CAADHO O=C(CNC(=O)[C@H]1C[NH2+]CC12CNC2)NCC(F)(F)F ZINC001221278084 780413434 /nfs/dbraw/zinc/41/34/34/780413434.db2.gz HDCKJQQAJZZODZ-SSDOTTSWSA-N 1 3 294.277 -1.410 20 0 CAADHO NCCS(=O)(=O)NC[C@]1(O)CCCC[NH2+]C1 ZINC001238089254 780512271 /nfs/dbraw/zinc/51/22/71/780512271.db2.gz DXKOUWWFHLFCMV-VIFPVBQESA-N 1 3 251.352 -1.631 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CNCCOC1 ZINC001238111423 780512705 /nfs/dbraw/zinc/51/27/05/780512705.db2.gz VJZKCUOANMSTGA-LLVKDONJSA-N 1 3 277.390 -1.106 20 0 CAADHO NCCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001238291735 780515413 /nfs/dbraw/zinc/51/54/13/780515413.db2.gz GFAFEYKLDAEVGG-SECBINFHSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001238271697 780515595 /nfs/dbraw/zinc/51/55/95/780515595.db2.gz OMIHFERIAUBNBS-SECBINFHSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001238300784 780515972 /nfs/dbraw/zinc/51/59/72/780515972.db2.gz BQWXWWLLOLRZRV-OPRDCNLKSA-N 1 3 263.363 -1.511 20 0 CAADHO NCCS(=O)(=O)N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238349089 780516315 /nfs/dbraw/zinc/51/63/15/780516315.db2.gz WIFNZGUZOLKQFF-VHSXEESVSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)NC[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001238302336 780516399 /nfs/dbraw/zinc/51/63/99/780516399.db2.gz YWWZSICPWXAEPN-GUBZILKMSA-N 1 3 263.363 -1.511 20 0 CAADHO NCCS(=O)(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238540269 780518854 /nfs/dbraw/zinc/51/88/54/780518854.db2.gz CQCFHYGTAKGGOC-ZJUUUORDSA-N 1 3 263.363 -1.224 20 0 CAADHO NCCS(=O)(=O)NC1CN(C2CC[NH2+]CC2)C1 ZINC001238474222 780519189 /nfs/dbraw/zinc/51/91/89/780519189.db2.gz IFGYTIJJGWCSJO-UHFFFAOYSA-N 1 3 262.379 -1.699 20 0 CAADHO COC(=O)[C@H]([N-]S(=O)(=O)CC[NH3+])C1CC[NH2+]CC1 ZINC001238712255 780522280 /nfs/dbraw/zinc/52/22/80/780522280.db2.gz AKBATAYBFNPUFG-SECBINFHSA-N 1 3 279.362 -1.594 20 0 CAADHO CCOC(=O)C1([N-]S(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238886312 780524223 /nfs/dbraw/zinc/52/42/23/780524223.db2.gz CYCALOHSNBKHRQ-UHFFFAOYSA-N 1 3 279.362 -1.450 20 0 CAADHO COC(=O)[C@H]([N-]S(=O)(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001238897374 780525378 /nfs/dbraw/zinc/52/53/78/780525378.db2.gz KDTUWCFSPSEDHG-HTQZYQBOSA-N 1 3 265.335 -1.984 20 0 CAADHO [NH3+]C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001262598316 780716996 /nfs/dbraw/zinc/71/69/96/780716996.db2.gz OQZAVMKFHBVQTR-VHSXEESVSA-N 1 3 254.334 -1.062 20 0 CAADHO CCN1CCN(CCCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001263103048 780719849 /nfs/dbraw/zinc/71/98/49/780719849.db2.gz MJTLZIOPIJXMKG-LBPRGKRZSA-N 1 3 272.393 -1.160 20 0 CAADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC001263103366 780720313 /nfs/dbraw/zinc/72/03/13/780720313.db2.gz XFBVVOKCAFPNGK-OLZOCXBDSA-N 1 3 286.420 -1.044 20 0 CAADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC001263103368 780720325 /nfs/dbraw/zinc/72/03/25/780720325.db2.gz XFBVVOKCAFPNGK-STQMWFEESA-N 1 3 286.420 -1.044 20 0 CAADHO C[C@H](O)C[NH2+]CCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001279838259 780778138 /nfs/dbraw/zinc/77/81/38/780778138.db2.gz JHNIJZBWVUCBDU-JTQLQIEISA-N 1 3 270.333 -1.257 20 0 CAADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099988254 782846865 /nfs/dbraw/zinc/84/68/65/782846865.db2.gz FVWGTARKHQXXAQ-NWDGAFQWSA-N 1 3 273.377 -1.128 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000705604220 775122818 /nfs/dbraw/zinc/12/28/18/775122818.db2.gz XQCPVQPLZAIVLG-HBNTYKKESA-N 1 3 257.334 -1.325 20 0 CAADHO CCN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161332800 775158546 /nfs/dbraw/zinc/15/85/46/775158546.db2.gz PHIKGPBZCALVOM-RYUDHWBXSA-N 1 3 282.388 -1.083 20 0 CAADHO CCN(C(=O)[C@H]1COC2(CNC2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161332801 775158560 /nfs/dbraw/zinc/15/85/60/775158560.db2.gz PHIKGPBZCALVOM-VXGBXAGGSA-N 1 3 282.388 -1.083 20 0 CAADHO CCN(C(=O)[C@H]1COC2(CNC2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161332799 775159488 /nfs/dbraw/zinc/15/94/88/775159488.db2.gz PHIKGPBZCALVOM-NWDGAFQWSA-N 1 3 282.388 -1.083 20 0 CAADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001267016537 775195428 /nfs/dbraw/zinc/19/54/28/775195428.db2.gz WYLTULSFZCEJSN-WDEREUQCSA-N 1 3 296.371 -1.066 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414712 775248924 /nfs/dbraw/zinc/24/89/24/775248924.db2.gz YUJYYAGYZQFKHD-ZRUFSTJUSA-N 1 3 283.376 -1.042 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414710 775249345 /nfs/dbraw/zinc/24/93/45/775249345.db2.gz YUJYYAGYZQFKHD-UKKRHICBSA-N 1 3 283.376 -1.042 20 0 CAADHO CC(C)N1CC(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159161 775293639 /nfs/dbraw/zinc/29/36/39/775293639.db2.gz NCOIUOXDDAZKHE-ZDUSSCGKSA-N 1 3 283.420 -1.054 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]n1 ZINC001220329608 775297230 /nfs/dbraw/zinc/29/72/30/775297230.db2.gz UUZCFWACQNZWQS-SNVBAGLBSA-N 1 3 267.337 -1.829 20 0 CAADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COC2(CNC2)CN1 ZINC001220884673 775298479 /nfs/dbraw/zinc/29/84/79/775298479.db2.gz KMAVKUQSVCFLKU-VHSXEESVSA-N 1 3 254.334 -1.815 20 0 CAADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220885030 775298853 /nfs/dbraw/zinc/29/88/53/775298853.db2.gz WHRQTMUNVJOOET-UWVGGRQHSA-N 1 3 287.385 -1.369 20 0 CAADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001220884674 775299942 /nfs/dbraw/zinc/29/99/42/775299942.db2.gz KMAVKUQSVCFLKU-ZJUUUORDSA-N 1 3 254.334 -1.815 20 0 CAADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220885031 775300029 /nfs/dbraw/zinc/30/00/29/775300029.db2.gz WHRQTMUNVJOOET-VHSXEESVSA-N 1 3 287.385 -1.369 20 0 CAADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161488229 775307607 /nfs/dbraw/zinc/30/76/07/775307607.db2.gz BFDLWBYCIKKUPT-WCQYABFASA-N 1 3 282.388 -1.096 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510818 775351080 /nfs/dbraw/zinc/35/10/80/775351080.db2.gz SAAASAHZSARDTQ-NHCYSSNCSA-N 1 3 298.387 -1.338 20 0 CAADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001268700636 775470162 /nfs/dbraw/zinc/47/01/62/775470162.db2.gz MHHFEWNDDZQHQI-VHSXEESVSA-N 1 3 256.350 -1.079 20 0 CAADHO CN(C[C@@H](O)C[NH2+]CCO)C(=O)CN(C)C1CCC1 ZINC001284414956 775492513 /nfs/dbraw/zinc/49/25/13/775492513.db2.gz AADZQWGJXXAYEB-LBPRGKRZSA-N 1 3 273.377 -1.128 20 0 CAADHO NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473925 775985348 /nfs/dbraw/zinc/98/53/48/775985348.db2.gz DOCYPXQMQUPAGP-JTQLQIEISA-N 1 3 254.334 -1.481 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474535 775986244 /nfs/dbraw/zinc/98/62/44/775986244.db2.gz NMIBOIPDJXRYBF-LLVKDONJSA-N 1 3 268.361 -1.220 20 0 CAADHO C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466505 775986558 /nfs/dbraw/zinc/98/65/58/775986558.db2.gz QHPOULOXNOWPEG-ONGXEEELSA-N 1 3 268.361 -1.092 20 0 CAADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(N)=O)n1 ZINC001127558105 775992943 /nfs/dbraw/zinc/99/29/43/775992943.db2.gz DACHWXHQSUDIGF-UHFFFAOYSA-N 1 3 282.348 -1.751 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001127695202 776002054 /nfs/dbraw/zinc/00/20/54/776002054.db2.gz DNUNKTMJOVCFDS-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001127695202 776002064 /nfs/dbraw/zinc/00/20/64/776002064.db2.gz DNUNKTMJOVCFDS-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001124872826 776015445 /nfs/dbraw/zinc/01/54/45/776015445.db2.gz NMLVVOZEDVKIOX-VHSXEESVSA-N 1 3 254.334 -1.325 20 0 CAADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124877364 776016639 /nfs/dbraw/zinc/01/66/39/776016639.db2.gz GNZFKPREYWQUBG-VHSXEESVSA-N 1 3 282.344 -1.408 20 0 CAADHO NCCS(=O)(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238328694 776029405 /nfs/dbraw/zinc/02/94/05/776029405.db2.gz TUDDUMBIVKODEL-QWRGUYRKSA-N 1 3 293.389 -1.740 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779579 776040005 /nfs/dbraw/zinc/04/00/05/776040005.db2.gz OHBYDTDWVCGDRA-RYUDHWBXSA-N 1 3 298.387 -1.356 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779579 776040012 /nfs/dbraw/zinc/04/00/12/776040012.db2.gz OHBYDTDWVCGDRA-RYUDHWBXSA-N 1 3 298.387 -1.356 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778429 776040581 /nfs/dbraw/zinc/04/05/81/776040581.db2.gz DUISSKIRMREXKI-GHMZBOCLSA-N 1 3 284.360 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778429 776040591 /nfs/dbraw/zinc/04/05/91/776040591.db2.gz DUISSKIRMREXKI-GHMZBOCLSA-N 1 3 284.360 -1.699 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777751 776041116 /nfs/dbraw/zinc/04/11/16/776041116.db2.gz BNMWKLJPCVZCMB-UWVGGRQHSA-N 1 3 270.333 -1.959 20 0 CAADHO NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777751 776041125 /nfs/dbraw/zinc/04/11/25/776041125.db2.gz BNMWKLJPCVZCMB-UWVGGRQHSA-N 1 3 270.333 -1.959 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778431 776041477 /nfs/dbraw/zinc/04/14/77/776041477.db2.gz DUISSKIRMREXKI-QWRGUYRKSA-N 1 3 284.360 -1.699 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778431 776041485 /nfs/dbraw/zinc/04/14/85/776041485.db2.gz DUISSKIRMREXKI-QWRGUYRKSA-N 1 3 284.360 -1.699 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779577 776041960 /nfs/dbraw/zinc/04/19/60/776041960.db2.gz OHBYDTDWVCGDRA-NEPJUHHUSA-N 1 3 298.387 -1.356 20 0 CAADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779577 776041967 /nfs/dbraw/zinc/04/19/67/776041967.db2.gz OHBYDTDWVCGDRA-NEPJUHHUSA-N 1 3 298.387 -1.356 20 0 CAADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001168755050 776227586 /nfs/dbraw/zinc/22/75/86/776227586.db2.gz GGPCAFLRAYWAQO-UHFFFAOYSA-N 1 3 287.364 -1.381 20 0 CAADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118486190 776320344 /nfs/dbraw/zinc/32/03/44/776320344.db2.gz LFVSSVPYPSEVHU-ZYHUDNBSSA-N 1 3 298.387 -1.181 20 0 CAADHO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)N1CCNCC1 ZINC000828388875 776486909 /nfs/dbraw/zinc/48/69/09/776486909.db2.gz XSMZJCSNIVCCRX-SNVBAGLBSA-N 1 3 262.379 -1.132 20 0 CAADHO CN(c1ncnc2c1CC[NH2+]CC2)S(=O)(=O)CCN ZINC001156231952 776518121 /nfs/dbraw/zinc/51/81/21/776518121.db2.gz RLKYWNGNEXMZLO-UHFFFAOYSA-N 1 3 285.373 -1.111 20 0 CAADHO CN(c1ncc2c(n1)CCNC2)S(=O)(=O)CC[NH3+] ZINC001156231869 776518398 /nfs/dbraw/zinc/51/83/98/776518398.db2.gz PUYNHKIRIUSIEN-UHFFFAOYSA-N 1 3 271.346 -1.153 20 0 CAADHO NCc1cnnn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001169303679 776524222 /nfs/dbraw/zinc/52/42/22/776524222.db2.gz BRKJSVTXDRLGKN-UHFFFAOYSA-N 1 3 260.305 -1.074 20 0 CAADHO N[C@H]1CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[C@H]1F ZINC001157536704 776584812 /nfs/dbraw/zinc/58/48/12/776584812.db2.gz ONZFWYDHBDQBTO-AEJSXWLSSA-N 1 3 284.335 -1.390 20 0 CAADHO N[C@@H](C(=O)N1CC(=O)N(C2CC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001157863442 776620869 /nfs/dbraw/zinc/62/08/69/776620869.db2.gz YILWRLINVJFZDI-CYBMUJFWSA-N 1 3 294.355 -1.327 20 0 CAADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001129435075 776621103 /nfs/dbraw/zinc/62/11/03/776621103.db2.gz AKKLNUVZTUPQPQ-JTQLQIEISA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001129448624 776621257 /nfs/dbraw/zinc/62/12/57/776621257.db2.gz DDCVMGATUJRWQV-WCBMZHEXSA-N 1 3 299.375 -1.384 20 0 CAADHO CN(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435783 776621561 /nfs/dbraw/zinc/62/15/61/776621561.db2.gz IXZRGASGRCHVMS-PWSUYJOCSA-N 1 3 296.371 -1.162 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435547 776621620 /nfs/dbraw/zinc/62/16/20/776621620.db2.gz HIRBJEMDNYKMGJ-LLVKDONJSA-N 1 3 299.375 -1.512 20 0 CAADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001129448622 776621733 /nfs/dbraw/zinc/62/17/33/776621733.db2.gz DDCVMGATUJRWQV-PSASIEDQSA-N 1 3 299.375 -1.384 20 0 CAADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(N)=O ZINC001129841437 776629373 /nfs/dbraw/zinc/62/93/73/776629373.db2.gz NFROZKCCFQDAGL-SNVBAGLBSA-N 1 3 299.375 -1.239 20 0 CAADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(N)=O ZINC001129841437 776629380 /nfs/dbraw/zinc/62/93/80/776629380.db2.gz NFROZKCCFQDAGL-SNVBAGLBSA-N 1 3 299.375 -1.239 20 0 CAADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001130200231 776646435 /nfs/dbraw/zinc/64/64/35/776646435.db2.gz GSKXMNWEFRYDDE-DTWKUNHWSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001130205460 776646535 /nfs/dbraw/zinc/64/65/35/776646535.db2.gz MHIHPKXIDZPKEJ-SNVBAGLBSA-N 1 3 299.375 -1.416 20 0 CAADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001130200233 776646812 /nfs/dbraw/zinc/64/68/12/776646812.db2.gz GSKXMNWEFRYDDE-RKDXNWHRSA-N 1 3 287.364 -1.384 20 0 CAADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001130203710 776646946 /nfs/dbraw/zinc/64/69/46/776646946.db2.gz UMRQCCIULYADFQ-NXEZZACHSA-N 1 3 284.360 -1.162 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934611 776647849 /nfs/dbraw/zinc/64/78/49/776647849.db2.gz MPSXVPODBGRXDM-GUBZILKMSA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934614 776648342 /nfs/dbraw/zinc/64/83/42/776648342.db2.gz MPSXVPODBGRXDM-UTLUCORTSA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934613 776649331 /nfs/dbraw/zinc/64/93/31/776649331.db2.gz MPSXVPODBGRXDM-LPEHRKFASA-N 1 3 277.390 -1.793 20 0 CAADHO C[C@@]1(CO)CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]1O ZINC001157944285 776649957 /nfs/dbraw/zinc/64/99/57/776649957.db2.gz JKEPDVXDKMOGSD-UMNHJUIQSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]1O ZINC001157945824 776653359 /nfs/dbraw/zinc/65/33/59/776653359.db2.gz LVIXQTKYMSSBQA-JBLDHEPKSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@@]1(CO)CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@H]1O ZINC001157945842 776653441 /nfs/dbraw/zinc/65/34/41/776653441.db2.gz LVIXQTKYMSSBQA-UMNHJUIQSA-N 1 3 291.417 -1.403 20 0 CAADHO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001158187450 776680802 /nfs/dbraw/zinc/68/08/02/776680802.db2.gz QFWMXULABBVJAD-YZRBJQDESA-N 1 3 266.345 -1.734 20 0 CAADHO C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520482 776693164 /nfs/dbraw/zinc/69/31/64/776693164.db2.gz ZBBBQIOKCSZSLS-ATWGWHJKSA-N 1 3 283.372 -1.064 20 0 CAADHO C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520484 776693178 /nfs/dbraw/zinc/69/31/78/776693178.db2.gz ZBBBQIOKCSZSLS-KTEZZQQRSA-N 1 3 283.372 -1.064 20 0 CAADHO O=C(NCC[NH2+]CCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522198 776693481 /nfs/dbraw/zinc/69/34/81/776693481.db2.gz WLFSODSZBKKCPY-AKJDGMEZSA-N 1 3 269.345 -1.452 20 0 CAADHO C[NH+](C)CCCC(=O)NCCNCCNS(C)(=O)=O ZINC001133052026 776757898 /nfs/dbraw/zinc/75/78/98/776757898.db2.gz YSMSAWZVYNUVPU-UHFFFAOYSA-N 1 3 294.421 -1.417 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC[N@@H+]1C ZINC001132886890 776754397 /nfs/dbraw/zinc/75/43/97/776754397.db2.gz VSWIUXWBYWQNDW-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC[N@H+]1C ZINC001132886890 776754399 /nfs/dbraw/zinc/75/43/99/776754399.db2.gz VSWIUXWBYWQNDW-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001132992894 776756434 /nfs/dbraw/zinc/75/64/34/776756434.db2.gz IRSVWDSJSKFLIX-SNVBAGLBSA-N 1 3 268.361 -1.078 20 0 CAADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132993023 776756702 /nfs/dbraw/zinc/75/67/02/776756702.db2.gz JXKAWNUMBUYBRQ-VIFPVBQESA-N 1 3 256.350 -1.092 20 0 CAADHO C[NH+](C)CCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001133043038 776757426 /nfs/dbraw/zinc/75/74/26/776757426.db2.gz PPPNLOIUFRSCQE-SNVBAGLBSA-N 1 3 284.360 -1.161 20 0 CAADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294707 776775365 /nfs/dbraw/zinc/77/53/65/776775365.db2.gz QEKUUSQJFCQQRE-UHFFFAOYSA-N 1 3 287.364 -1.510 20 0 CAADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001133297394 776775416 /nfs/dbraw/zinc/77/54/16/776775416.db2.gz MRJQHNRWLFMZST-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001133297360 776775431 /nfs/dbraw/zinc/77/54/31/776775431.db2.gz LSHPEXCZTXRCAX-SECBINFHSA-N 1 3 270.333 -1.551 20 0 CAADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001133297361 776776223 /nfs/dbraw/zinc/77/62/23/776776223.db2.gz LSHPEXCZTXRCAX-VIFPVBQESA-N 1 3 270.333 -1.551 20 0 CAADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001133294315 776776713 /nfs/dbraw/zinc/77/67/13/776776713.db2.gz CAWQHTRWOPAZSB-UHFFFAOYSA-N 1 3 286.376 -1.497 20 0 CAADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845529 776789267 /nfs/dbraw/zinc/78/92/67/776789267.db2.gz IDKRVZBOIOMKLE-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845529 776789273 /nfs/dbraw/zinc/78/92/73/776789273.db2.gz IDKRVZBOIOMKLE-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863090 776789825 /nfs/dbraw/zinc/78/98/25/776789825.db2.gz JREJEFHHEIHQJF-UWVGGRQHSA-N 1 3 256.350 -1.364 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863090 776789828 /nfs/dbraw/zinc/78/98/28/776789828.db2.gz JREJEFHHEIHQJF-UWVGGRQHSA-N 1 3 256.350 -1.364 20 0 CAADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846267 776788877 /nfs/dbraw/zinc/78/88/77/776788877.db2.gz XNQNQOHGMQEBNC-WDEREUQCSA-N 1 3 296.371 -1.161 20 0 CAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863547 776789428 /nfs/dbraw/zinc/78/94/28/776789428.db2.gz NWAKOMWBLQPVDV-QWRGUYRKSA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001133863547 776789432 /nfs/dbraw/zinc/78/94/32/776789432.db2.gz NWAKOMWBLQPVDV-QWRGUYRKSA-N 1 3 270.377 -1.022 20 0 CAADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133845677 776789734 /nfs/dbraw/zinc/78/97/34/776789734.db2.gz LNIUAUYXULTOJS-VIFPVBQESA-N 1 3 285.348 -1.771 20 0 CAADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133845677 776789739 /nfs/dbraw/zinc/78/97/39/776789739.db2.gz LNIUAUYXULTOJS-VIFPVBQESA-N 1 3 285.348 -1.771 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845468 776789895 /nfs/dbraw/zinc/78/98/95/776789895.db2.gz GPFXFTURQIYWSL-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845468 776789901 /nfs/dbraw/zinc/78/99/01/776789901.db2.gz GPFXFTURQIYWSL-JTQLQIEISA-N 1 3 256.350 -1.220 20 0 CAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864326 776789973 /nfs/dbraw/zinc/78/99/73/776789973.db2.gz ZBXGHROERIFYBZ-BDAKNGLRSA-N 1 3 285.348 -1.915 20 0 CAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864326 776789981 /nfs/dbraw/zinc/78/99/81/776789981.db2.gz ZBXGHROERIFYBZ-BDAKNGLRSA-N 1 3 285.348 -1.915 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845887 776790001 /nfs/dbraw/zinc/79/00/01/776790001.db2.gz PKUNQHSVCCWZCK-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845887 776790010 /nfs/dbraw/zinc/79/00/10/776790010.db2.gz PKUNQHSVCCWZCK-SNVBAGLBSA-N 1 3 299.375 -1.510 20 0 CAADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819879 776790186 /nfs/dbraw/zinc/79/01/86/776790186.db2.gz QCAQUTCPQQSJQC-WDEREUQCSA-N 1 3 296.371 -1.018 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823348 776790406 /nfs/dbraw/zinc/79/04/06/776790406.db2.gz CQSUNIMKKUCWIE-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823348 776790410 /nfs/dbraw/zinc/79/04/10/776790410.db2.gz CQSUNIMKKUCWIE-JTQLQIEISA-N 1 3 256.350 -1.078 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863089 776790595 /nfs/dbraw/zinc/79/05/95/776790595.db2.gz JREJEFHHEIHQJF-NXEZZACHSA-N 1 3 256.350 -1.364 20 0 CAADHO CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863089 776790599 /nfs/dbraw/zinc/79/05/99/776790599.db2.gz JREJEFHHEIHQJF-NXEZZACHSA-N 1 3 256.350 -1.364 20 0 CAADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133819592 776790846 /nfs/dbraw/zinc/79/08/46/776790846.db2.gz IFEZWCURUOTYTC-SECBINFHSA-N 1 3 285.348 -1.629 20 0 CAADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133819592 776790853 /nfs/dbraw/zinc/79/08/53/776790853.db2.gz IFEZWCURUOTYTC-SECBINFHSA-N 1 3 285.348 -1.629 20 0 CAADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133845676 776790866 /nfs/dbraw/zinc/79/08/66/776790866.db2.gz LNIUAUYXULTOJS-SECBINFHSA-N 1 3 285.348 -1.771 20 0 CAADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133845676 776790870 /nfs/dbraw/zinc/79/08/70/776790870.db2.gz LNIUAUYXULTOJS-SECBINFHSA-N 1 3 285.348 -1.771 20 0 CAADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845531 776790943 /nfs/dbraw/zinc/79/09/43/776790943.db2.gz IDKRVZBOIOMKLE-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845531 776790953 /nfs/dbraw/zinc/79/09/53/776790953.db2.gz IDKRVZBOIOMKLE-ZJUUUORDSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864328 776792311 /nfs/dbraw/zinc/79/23/11/776792311.db2.gz ZBXGHROERIFYBZ-IUCAKERBSA-N 1 3 285.348 -1.915 20 0 CAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864328 776792319 /nfs/dbraw/zinc/79/23/19/776792319.db2.gz ZBXGHROERIFYBZ-IUCAKERBSA-N 1 3 285.348 -1.915 20 0 CAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864327 776792655 /nfs/dbraw/zinc/79/26/55/776792655.db2.gz ZBXGHROERIFYBZ-DTWKUNHWSA-N 1 3 285.348 -1.915 20 0 CAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133864327 776792661 /nfs/dbraw/zinc/79/26/61/776792661.db2.gz ZBXGHROERIFYBZ-DTWKUNHWSA-N 1 3 285.348 -1.915 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869836 776792692 /nfs/dbraw/zinc/79/26/92/776792692.db2.gz MHUHXPBCQMNWQT-ZJUUUORDSA-N 1 3 299.375 -1.655 20 0 CAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869836 776792699 /nfs/dbraw/zinc/79/26/99/776792699.db2.gz MHUHXPBCQMNWQT-ZJUUUORDSA-N 1 3 299.375 -1.655 20 0 CAADHO C[C@@H](COCC(=O)NCCNCC(N)=O)[NH+]1CCCC1 ZINC001134058636 776805410 /nfs/dbraw/zinc/80/54/10/776805410.db2.gz WWFFNQQLHZKZAV-NSHDSACASA-N 1 3 286.376 -1.322 20 0 CAADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(N)=O)cn1 ZINC001135117962 776835893 /nfs/dbraw/zinc/83/58/93/776835893.db2.gz FGUJEBOLIAKIKZ-UHFFFAOYSA-N 1 3 282.348 -1.751 20 0 CAADHO [NH3+]CCCn1cc(C(=O)NC[C@@H]2CNCCO2)nn1 ZINC001118195618 779551608 /nfs/dbraw/zinc/55/16/08/779551608.db2.gz PFIPJOUYVPSNQS-VIFPVBQESA-N 1 3 268.321 -1.655 20 0 CAADHO [NH3+]CCCn1cc(C(=O)NC[C@H]2CNCCO2)nn1 ZINC001118195617 779551912 /nfs/dbraw/zinc/55/19/12/779551912.db2.gz PFIPJOUYVPSNQS-SECBINFHSA-N 1 3 268.321 -1.655 20 0 CAADHO [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CNCCO2)nn1 ZINC001118229204 779556058 /nfs/dbraw/zinc/55/60/58/779556058.db2.gz YKZFDBQSHIIPRA-JTQLQIEISA-N 1 3 282.348 -1.265 20 0 CAADHO C[C@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118486187 779570704 /nfs/dbraw/zinc/57/07/04/779570704.db2.gz LFVSSVPYPSEVHU-JQWIXIFHSA-N 1 3 298.387 -1.181 20 0 CAADHO C[C@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118486186 779570856 /nfs/dbraw/zinc/57/08/56/779570856.db2.gz LFVSSVPYPSEVHU-CMPLNLGQSA-N 1 3 298.387 -1.181 20 0 CAADHO O=C(NC1C[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118486476 779570894 /nfs/dbraw/zinc/57/08/94/779570894.db2.gz NIZVVACVXVPBBB-GFCCVEGCSA-N 1 3 296.371 -1.556 20 0 CAADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC001118862201 779591103 /nfs/dbraw/zinc/59/11/03/779591103.db2.gz VJRWWVSJXMNMKX-SNVBAGLBSA-N 1 3 260.338 -1.409 20 0 CAADHO Cn1ncc(CN)c1C(=O)NCCN1CC[NH2+]CC1 ZINC001119235940 779609033 /nfs/dbraw/zinc/60/90/33/779609033.db2.gz SNSOCHQHIFXKSR-UHFFFAOYSA-N 1 3 266.349 -1.486 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001121943644 779654272 /nfs/dbraw/zinc/65/42/72/779654272.db2.gz LPXMUHMZZGGILJ-JGVFFNPUSA-N 1 3 250.293 -1.011 20 0 CAADHO COC[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001122063487 779656075 /nfs/dbraw/zinc/65/60/75/779656075.db2.gz LABGZIVPEOXVOW-ZYHUDNBSSA-N 1 3 269.345 -1.140 20 0 CAADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122063571 779656137 /nfs/dbraw/zinc/65/61/37/779656137.db2.gz MPNRDAYJOYJPFZ-KWBADKCTSA-N 1 3 267.329 -1.531 20 0 CAADHO COC[C@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CC[NH2+]C1 ZINC001122063485 779656599 /nfs/dbraw/zinc/65/65/99/779656599.db2.gz LABGZIVPEOXVOW-JQWIXIFHSA-N 1 3 269.345 -1.140 20 0 CAADHO NC1(C(=O)NCC2(O)C[NH2+]C2)Cc2ccccc2C1 ZINC001122137135 779658549 /nfs/dbraw/zinc/65/85/49/779658549.db2.gz USUNJWZASWCCGD-UHFFFAOYSA-N 1 3 261.325 -1.067 20 0 CAADHO CN1CCNC[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC001122172454 779660023 /nfs/dbraw/zinc/66/00/23/779660023.db2.gz VCYZAGJHSGGBPC-SNVBAGLBSA-N 1 3 256.350 -1.486 20 0 CAADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124877104 779719370 /nfs/dbraw/zinc/71/93/70/779719370.db2.gz BOKISNBWTUGVFN-ZJUUUORDSA-N 1 3 256.350 -1.079 20 0 CAADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001124866345 779719624 /nfs/dbraw/zinc/71/96/24/779719624.db2.gz AOQJJLFUGKEVIZ-DTWKUNHWSA-N 1 3 285.348 -1.630 20 0 CAADHO CN1CCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878542 779719804 /nfs/dbraw/zinc/71/98/04/779719804.db2.gz NKIBEZNJEPKXBP-SNVBAGLBSA-N 1 3 292.405 -1.664 20 0 CAADHO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124877097 779719871 /nfs/dbraw/zinc/71/98/71/779719871.db2.gz BOKISNBWTUGVFN-NXEZZACHSA-N 1 3 256.350 -1.079 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867728 779720087 /nfs/dbraw/zinc/72/00/87/779720087.db2.gz YQVHSNZZZZYWQK-VHSXEESVSA-N 1 3 299.375 -1.370 20 0 CAADHO CC(C)N(C)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001142590895 779760196 /nfs/dbraw/zinc/76/01/96/779760196.db2.gz USQVMNZBKQJYAE-UHFFFAOYSA-N 1 3 276.341 -1.009 20 0 CAADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064368 779801608 /nfs/dbraw/zinc/80/16/08/779801608.db2.gz ARMUPYBNBBGPAZ-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064368 779801619 /nfs/dbraw/zinc/80/16/19/779801619.db2.gz ARMUPYBNBBGPAZ-UWVGGRQHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001151048757 779801903 /nfs/dbraw/zinc/80/19/03/779801903.db2.gz FOUQIVKSQKFKKS-QMMMGPOBSA-N 1 3 271.321 -2.161 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001151048757 779801907 /nfs/dbraw/zinc/80/19/07/779801907.db2.gz FOUQIVKSQKFKKS-QMMMGPOBSA-N 1 3 271.321 -2.161 20 0 CAADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151049544 779802111 /nfs/dbraw/zinc/80/21/11/779802111.db2.gz RQHCAIRPUYMXKB-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151049544 779802120 /nfs/dbraw/zinc/80/21/20/779802120.db2.gz RQHCAIRPUYMXKB-GHMZBOCLSA-N 1 3 268.361 -1.078 20 0 CAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065868 779802236 /nfs/dbraw/zinc/80/22/36/779802236.db2.gz NYMWDADOXWLDBM-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065868 779802241 /nfs/dbraw/zinc/80/22/41/779802241.db2.gz NYMWDADOXWLDBM-NXEZZACHSA-N 1 3 299.375 -1.512 20 0 CAADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064367 779802498 /nfs/dbraw/zinc/80/24/98/779802498.db2.gz ARMUPYBNBBGPAZ-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064367 779802507 /nfs/dbraw/zinc/80/25/07/779802507.db2.gz ARMUPYBNBBGPAZ-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151044372 779802568 /nfs/dbraw/zinc/80/25/68/779802568.db2.gz RPBBGHQAJMIPIJ-NSHDSACASA-N 1 3 268.361 -1.124 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151044372 779802576 /nfs/dbraw/zinc/80/25/76/779802576.db2.gz RPBBGHQAJMIPIJ-NSHDSACASA-N 1 3 268.361 -1.124 20 0 CAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001151049171 779802653 /nfs/dbraw/zinc/80/26/53/779802653.db2.gz JGWFSCTZVCAJJK-LBPRGKRZSA-N 1 3 298.387 -1.497 20 0 CAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001151049171 779802662 /nfs/dbraw/zinc/80/26/62/779802662.db2.gz JGWFSCTZVCAJJK-LBPRGKRZSA-N 1 3 298.387 -1.497 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065871 779803469 /nfs/dbraw/zinc/80/34/69/779803469.db2.gz NYMWDADOXWLDBM-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065871 779803473 /nfs/dbraw/zinc/80/34/73/779803473.db2.gz NYMWDADOXWLDBM-UWVGGRQHSA-N 1 3 299.375 -1.512 20 0 CAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049567 779803562 /nfs/dbraw/zinc/80/35/62/779803562.db2.gz SBIMVBGUGQQSOT-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049567 779803569 /nfs/dbraw/zinc/80/35/69/779803569.db2.gz SBIMVBGUGQQSOT-JTQLQIEISA-N 1 3 299.375 -1.510 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074378 779804614 /nfs/dbraw/zinc/80/46/14/779804614.db2.gz XLGRCWRYYSUNOD-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074378 779804621 /nfs/dbraw/zinc/80/46/21/779804621.db2.gz XLGRCWRYYSUNOD-DTWKUNHWSA-N 1 3 285.348 -1.773 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152445259 779823745 /nfs/dbraw/zinc/82/37/45/779823745.db2.gz FSPLSCSVAYEDDV-VIFPVBQESA-N 1 3 287.364 -1.384 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152426077 779823774 /nfs/dbraw/zinc/82/37/74/779823774.db2.gz CGPMFYHNYJSXCL-JTQLQIEISA-N 1 3 284.360 -1.162 20 0 CAADHO CC(C)N(C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152432514 779824674 /nfs/dbraw/zinc/82/46/74/779824674.db2.gz IZQSRTLNCFKDOF-UHFFFAOYSA-N 1 3 294.421 -1.418 20 0 CAADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791284 779877779 /nfs/dbraw/zinc/87/77/79/779877779.db2.gz VFWKENSVGGWWNW-SECBINFHSA-N 1 3 285.348 -1.629 20 0 CAADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791812 779877863 /nfs/dbraw/zinc/87/78/63/779877863.db2.gz YSPLLSCDOWLQQT-JTQLQIEISA-N 1 3 299.375 -1.368 20 0 CAADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791285 779877998 /nfs/dbraw/zinc/87/79/98/779877998.db2.gz VFWKENSVGGWWNW-VIFPVBQESA-N 1 3 285.348 -1.629 20 0 CAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNCCN1 ZINC001157335202 779899508 /nfs/dbraw/zinc/89/95/08/779899508.db2.gz DTDPMAFDYNDQSL-UWVGGRQHSA-N 1 3 271.365 -2.092 20 0 CAADHO NC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371736 779902005 /nfs/dbraw/zinc/90/20/05/779902005.db2.gz YMNUSSWGKLXDJA-QWRGUYRKSA-N 1 3 285.392 -1.491 20 0 CAADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CN)CC1 ZINC001157449324 779902997 /nfs/dbraw/zinc/90/29/97/779902997.db2.gz XKHXWLKUBGBIOS-VIFPVBQESA-N 1 3 272.349 -1.455 20 0 CAADHO CNC(=O)C1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001157495937 779905319 /nfs/dbraw/zinc/90/53/19/779905319.db2.gz OYELBOHUENZMSD-JTQLQIEISA-N 1 3 288.417 -1.010 20 0 CAADHO N[C@@H](C(=O)N1CCn2cnnc2C1)C1CC[NH2+]CC1 ZINC001157507164 779907050 /nfs/dbraw/zinc/90/70/50/779907050.db2.gz FJVFGXCCEHEXFL-LLVKDONJSA-N 1 3 264.333 -1.053 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(N2CC(F)C2)C1 ZINC001157527321 779907734 /nfs/dbraw/zinc/90/77/34/779907734.db2.gz MJJMXYHFOWZZBK-LLVKDONJSA-N 1 3 268.336 -1.340 20 0 CAADHO N[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@H]1F ZINC001157535924 779907986 /nfs/dbraw/zinc/90/79/86/779907986.db2.gz FHVXQIFYVOQRTJ-VGMNWLOBSA-N 1 3 258.297 -2.176 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157715525 779910084 /nfs/dbraw/zinc/91/00/84/779910084.db2.gz FQEUPUWJJUFKMW-MDZLAQPJSA-N 1 3 268.361 -1.615 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157715524 779910519 /nfs/dbraw/zinc/91/05/19/779910519.db2.gz FQEUPUWJJUFKMW-GVXVVHGQSA-N 1 3 268.361 -1.615 20 0 CAADHO CN(C[C@H]1CNCCO1)C(=O)CNC1CC[NH2+]CC1 ZINC001157715311 779910585 /nfs/dbraw/zinc/91/05/85/779910585.db2.gz DMYJWFAXYIZNBM-GFCCVEGCSA-N 1 3 270.377 -1.225 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)CN1CC[NH2+]CC1 ZINC001157715228 779910596 /nfs/dbraw/zinc/91/05/96/779910596.db2.gz CQBJPLMDGXFFRC-NSHDSACASA-N 1 3 256.350 -1.662 20 0 CAADHO CCNC(=O)CN(C)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157678985 779911005 /nfs/dbraw/zinc/91/10/05/779911005.db2.gz LKOSEHWFNZAYGF-NSHDSACASA-N 1 3 256.350 -1.092 20 0 CAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157721254 779912301 /nfs/dbraw/zinc/91/23/01/779912301.db2.gz WEENYITXUTVIAB-CMPLNLGQSA-N 1 3 256.350 -1.486 20 0 CAADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001157721218 779912433 /nfs/dbraw/zinc/91/24/33/779912433.db2.gz VHJDEJHZDNOPTQ-RAALSFIWSA-N 1 3 277.390 -1.471 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856232 779914671 /nfs/dbraw/zinc/91/46/71/779914671.db2.gz SUQZZWCUVBAZTL-IVZWLZJFSA-N 1 3 257.309 -1.273 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853454 779914885 /nfs/dbraw/zinc/91/48/85/779914885.db2.gz CXJIFHAXPCQBAS-SNVBAGLBSA-N 1 3 292.339 -1.845 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853453 779914972 /nfs/dbraw/zinc/91/49/72/779914972.db2.gz CXJIFHAXPCQBAS-JTQLQIEISA-N 1 3 292.339 -1.845 20 0 CAADHO N[C@@H](C(=O)N1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001157888125 779916005 /nfs/dbraw/zinc/91/60/05/779916005.db2.gz CPZBDDJATNWXFK-LLVKDONJSA-N 1 3 254.334 -1.338 20 0 CAADHO O=C(N1CC[C@@H](CO)[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157903346 779916737 /nfs/dbraw/zinc/91/67/37/779916737.db2.gz GACXOXVTPIIZMB-KZVDOYCCSA-N 1 3 283.372 -1.613 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904423 779917182 /nfs/dbraw/zinc/91/71/82/779917182.db2.gz LXZNZXAEGHHTDM-KXUCPTDWSA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904425 779917402 /nfs/dbraw/zinc/91/74/02/779917402.db2.gz LXZNZXAEGHHTDM-UTLUCORTSA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904424 779917465 /nfs/dbraw/zinc/91/74/65/779917465.db2.gz LXZNZXAEGHHTDM-LPEHRKFASA-N 1 3 277.390 -1.793 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904826 779917954 /nfs/dbraw/zinc/91/79/54/779917954.db2.gz OCUYUYHDBXTNSK-GARJFASQSA-N 1 3 259.350 -1.356 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935349 779918994 /nfs/dbraw/zinc/91/89/94/779918994.db2.gz ULGWPPMVGMUZLT-DCAQKATOSA-N 1 3 269.345 -2.003 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]1O ZINC001157944282 779919760 /nfs/dbraw/zinc/91/97/60/779919760.db2.gz JKEPDVXDKMOGSD-HOSYDEDBSA-N 1 3 291.417 -1.403 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@H](N)CCC[NH3+])CC[C@H]1O ZINC001157945238 779920202 /nfs/dbraw/zinc/92/02/02/779920202.db2.gz LASDFCGQBUJULI-CKYFFXLPSA-N 1 3 259.350 -1.356 20 0 CAADHO C[C@]1(CO)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@@H]1O ZINC001157944209 779920274 /nfs/dbraw/zinc/92/02/74/779920274.db2.gz IQKGXSDTQZECMN-OUCADQQQSA-N 1 3 285.388 -1.095 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[C@H]1O ZINC001157945795 779920926 /nfs/dbraw/zinc/92/09/26/779920926.db2.gz LKTUOTVRAOWZJV-QHSBEEBCSA-N 1 3 297.399 -1.223 20 0 CAADHO C[C@]1(CO)CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC[C@@H]1O ZINC001157945401 779921031 /nfs/dbraw/zinc/92/10/31/779921031.db2.gz LJKLXVQDXZYBNX-GMXVVIOVSA-N 1 3 283.372 -1.613 20 0 CAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091990 779926071 /nfs/dbraw/zinc/92/60/71/779926071.db2.gz LANIRYISEVHIIY-MFKMUULPSA-N 1 3 292.343 -2.030 20 0 CAADHO O=C([C@@H]1CNCCN1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100921 779926807 /nfs/dbraw/zinc/92/68/07/779926807.db2.gz CWJZMXITGUNPLY-JOYOIKCWSA-N 1 3 267.333 -2.762 20 0 CAADHO NC(C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C(F)(F)F ZINC001158101811 779927260 /nfs/dbraw/zinc/92/72/60/779927260.db2.gz MEYFAVIGNATDPE-VXNVDRBHSA-N 1 3 280.250 -1.434 20 0 CAADHO CCN(CCC(N)=O)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160471395 779963151 /nfs/dbraw/zinc/96/31/51/779963151.db2.gz WKCVLAHLIFGXKK-QMMMGPOBSA-N 1 3 262.379 -1.271 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167054 779929008 /nfs/dbraw/zinc/92/90/08/779929008.db2.gz HUPQECQNAOTPMI-KGYLQXTDSA-N 1 3 293.371 -1.263 20 0 CAADHO O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167544 779929147 /nfs/dbraw/zinc/92/91/47/779929147.db2.gz LLQQBKCTDPTKLV-IJLUTSLNSA-N 1 3 296.371 -2.236 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167892 779929168 /nfs/dbraw/zinc/92/91/68/779929168.db2.gz NOTIRLDADHTBPA-GMTAPVOTSA-N 1 3 299.375 -1.791 20 0 CAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167541 779929469 /nfs/dbraw/zinc/92/94/69/779929469.db2.gz LLQQBKCTDPTKLV-GRYCIOLGSA-N 1 3 296.371 -2.236 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215308 779931653 /nfs/dbraw/zinc/93/16/53/779931653.db2.gz MTOAGCCAXPHMTG-AATLWQCWSA-N 1 3 254.334 -1.199 20 0 CAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199133 779931681 /nfs/dbraw/zinc/93/16/81/779931681.db2.gz NGTKLDOMMPUSFJ-OUAUKWLOSA-N 1 3 299.396 -1.274 20 0 CAADHO NC(=O)NCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199171 779931745 /nfs/dbraw/zinc/93/17/45/779931745.db2.gz OHSHQWHXYAYCPF-LPEHRKFASA-N 1 3 269.349 -1.275 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327105 779932237 /nfs/dbraw/zinc/93/22/37/779932237.db2.gz RBZXQXRPOOSWAJ-JTQLQIEISA-N 1 3 284.360 -1.440 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306377 779932329 /nfs/dbraw/zinc/93/23/29/779932329.db2.gz RMUGGGHTLUEOOJ-HZLNVJGASA-N 1 3 259.375 -1.097 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158370881 779933571 /nfs/dbraw/zinc/93/35/71/779933571.db2.gz UZAVXUHLVNSMOL-VIFPVBQESA-N 1 3 263.363 -1.300 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158420906 779934763 /nfs/dbraw/zinc/93/47/63/779934763.db2.gz AKKPLPYSGLYJKB-OPRDCNLKSA-N 1 3 269.349 -1.275 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421429 779934866 /nfs/dbraw/zinc/93/48/66/779934866.db2.gz DRLFEKQTCMLQHE-JXUBOQSCSA-N 1 3 297.359 -2.343 20 0 CAADHO NCc1cnnn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158422879 779935041 /nfs/dbraw/zinc/93/50/41/779935041.db2.gz IPXFNUMERVVGSU-UHFFFAOYSA-N 1 3 260.305 -1.074 20 0 CAADHO NCc1cnnn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158420694 779935103 /nfs/dbraw/zinc/93/51/03/779935103.db2.gz WLTKGFIJEZWRLB-UHFFFAOYSA-N 1 3 260.305 -1.074 20 0 CAADHO COCCN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001158605094 779937988 /nfs/dbraw/zinc/93/79/88/779937988.db2.gz VFZJHVMQRHRYGD-NSHDSACASA-N 1 3 258.366 -1.157 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001158804080 779940292 /nfs/dbraw/zinc/94/02/92/779940292.db2.gz KKERKYZBMBCQQN-AXFHLTTASA-N 1 3 288.417 -1.453 20 0 CAADHO CN1CCO[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001158804602 779940654 /nfs/dbraw/zinc/94/06/54/779940654.db2.gz SSOPFPIQJATLBK-UTUOFQBUSA-N 1 3 280.372 -1.663 20 0 CAADHO CN1C[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]2C1=O ZINC001159884641 779952585 /nfs/dbraw/zinc/95/25/85/779952585.db2.gz DUWWTURWNUNGHD-KXUCPTDWSA-N 1 3 254.334 -1.401 20 0 CAADHO [NH3+][C@H]1CN[C@H](C(=O)N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001160155530 779955647 /nfs/dbraw/zinc/95/56/47/779955647.db2.gz IHTIWWIVCPGCQT-MQYQWHSLSA-N 1 3 294.399 -1.003 20 0 CAADHO CS(=O)(=O)N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160432341 779958258 /nfs/dbraw/zinc/95/82/58/779958258.db2.gz UKHMTXDEWRBMTF-JTQLQIEISA-N 1 3 292.405 -1.454 20 0 CAADHO C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160451363 779961282 /nfs/dbraw/zinc/96/12/82/779961282.db2.gz MUEQJWIWOAURQD-GIPNMCIBSA-N 1 3 266.345 -1.468 20 0 CAADHO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160451395 779961445 /nfs/dbraw/zinc/96/14/45/779961445.db2.gz NQOXWPRFVXMUCS-IUCAKERBSA-N 1 3 252.318 -1.858 20 0 CAADHO C[C@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160451364 779961511 /nfs/dbraw/zinc/96/15/11/779961511.db2.gz MUEQJWIWOAURQD-OPQQBVKSSA-N 1 3 266.345 -1.468 20 0 CAADHO CC(C)NC(=O)CN1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160485058 779962287 /nfs/dbraw/zinc/96/22/87/779962287.db2.gz PJXNIFNFXDZCGE-GFCCVEGCSA-N 1 3 299.419 -1.279 20 0 CAADHO [NH3+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160510972 779964259 /nfs/dbraw/zinc/96/42/59/779964259.db2.gz JEPZUUXTDNVUMV-JTQLQIEISA-N 1 3 287.385 -1.287 20 0 CAADHO [NH3+]C1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001160510937 779964300 /nfs/dbraw/zinc/96/43/00/779964300.db2.gz HRYVXRJXSDGNLL-JTQLQIEISA-N 1 3 254.334 -1.734 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001160548083 779964832 /nfs/dbraw/zinc/96/48/32/779964832.db2.gz CIQLNAFWXBJRRL-NXEZZACHSA-N 1 3 254.334 -1.353 20 0 CAADHO NC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160548387 779964893 /nfs/dbraw/zinc/96/48/93/779964893.db2.gz FLQNHFKBDQYXGH-GIPNMCIBSA-N 1 3 266.345 -1.481 20 0 CAADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CN ZINC001160539283 779965433 /nfs/dbraw/zinc/96/54/33/779965433.db2.gz PCLGDZYRMHRNBT-JGVFFNPUSA-N 1 3 250.306 -1.287 20 0 CAADHO COC(=O)CN1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160531331 779965600 /nfs/dbraw/zinc/96/56/00/779965600.db2.gz LQNQOYZZXMRHKA-SNVBAGLBSA-N 1 3 272.349 -1.630 20 0 CAADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)CN ZINC001160539285 779965760 /nfs/dbraw/zinc/96/57/60/779965760.db2.gz PCLGDZYRMHRNBT-YUMQZZPRSA-N 1 3 250.306 -1.287 20 0 CAADHO COC(=O)C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596913 779968039 /nfs/dbraw/zinc/96/80/39/779968039.db2.gz XCXRMIITWQQHRM-WDEREUQCSA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596910 779968115 /nfs/dbraw/zinc/96/81/15/779968115.db2.gz XCXRMIITWQQHRM-GHMZBOCLSA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160596912 779968157 /nfs/dbraw/zinc/96/81/57/779968157.db2.gz XCXRMIITWQQHRM-QWRGUYRKSA-N 1 3 297.355 -1.414 20 0 CAADHO CCOC(=O)[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCO1 ZINC001160596150 779968295 /nfs/dbraw/zinc/96/82/95/779968295.db2.gz DAAGMBZXSFYHEX-ZJUUUORDSA-N 1 3 273.333 -1.157 20 0 CAADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCO1 ZINC001160596149 779968704 /nfs/dbraw/zinc/96/87/04/779968704.db2.gz DAAGMBZXSFYHEX-VHSXEESVSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637229 779970973 /nfs/dbraw/zinc/97/09/73/779970973.db2.gz SGJXBPWTRJBWRC-LBPRGKRZSA-N 1 3 298.387 -1.098 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(N2CCNC(=O)C2)C1 ZINC001160637005 779971066 /nfs/dbraw/zinc/97/10/66/779971066.db2.gz MOKJFDOHEIVDIJ-NSHDSACASA-N 1 3 293.371 -2.562 20 0 CAADHO CN1CCN(C2CN(C(=O)[C@@H](N)CCC[NH3+])C2)CC1=O ZINC001160637670 779971071 /nfs/dbraw/zinc/97/10/71/779971071.db2.gz VJHVDUYXSUDXCX-NSHDSACASA-N 1 3 283.376 -1.963 20 0 CAADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@H]1O ZINC001160652804 779973366 /nfs/dbraw/zinc/97/33/66/779973366.db2.gz MERCQDWOSQOSNX-KXUCPTDWSA-N 1 3 270.333 -2.763 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647230 779973682 /nfs/dbraw/zinc/97/36/82/779973682.db2.gz BYTNUGLKHUJSPT-DJLDLDEBSA-N 1 3 275.328 -1.340 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647646 779973748 /nfs/dbraw/zinc/97/37/48/779973748.db2.gz QTVVNCYETUKWIP-ZJUUUORDSA-N 1 3 286.401 -1.161 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652404 779973807 /nfs/dbraw/zinc/97/38/07/779973807.db2.gz DGMFYSLTSMUBHF-KXUCPTDWSA-N 1 3 253.306 -1.800 20 0 CAADHO CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160658196 779975685 /nfs/dbraw/zinc/97/56/85/779975685.db2.gz QFHPCKLNUWFRAR-VIFPVBQESA-N 1 3 288.373 -2.445 20 0 CAADHO COC(CN(C)C(=O)[C@@H]1C[NH2+]CC12CNC2)OC ZINC001160683982 779976989 /nfs/dbraw/zinc/97/69/89/779976989.db2.gz QJNZQWSNINUMOL-VIFPVBQESA-N 1 3 257.334 -1.127 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160704700 779978379 /nfs/dbraw/zinc/97/83/79/779978379.db2.gz NQNSDEVPIPWLTB-UWVGGRQHSA-N 1 3 270.333 -1.974 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCO1 ZINC001160704877 779978550 /nfs/dbraw/zinc/97/85/50/779978550.db2.gz PUTNLUUBAJWYTC-DTWKUNHWSA-N 1 3 268.317 -2.492 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160704685 779978603 /nfs/dbraw/zinc/97/86/03/779978603.db2.gz MZYDLWWYZJJPIF-QWRGUYRKSA-N 1 3 286.376 -1.242 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160705678 779978666 /nfs/dbraw/zinc/97/86/66/779978666.db2.gz ZNPUJECWBGNKRL-WDEREUQCSA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160705678 779978671 /nfs/dbraw/zinc/97/86/71/779978671.db2.gz ZNPUJECWBGNKRL-WDEREUQCSA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160705677 779978709 /nfs/dbraw/zinc/97/87/09/779978709.db2.gz ZNPUJECWBGNKRL-QWRGUYRKSA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160705677 779978715 /nfs/dbraw/zinc/97/87/15/779978715.db2.gz ZNPUJECWBGNKRL-QWRGUYRKSA-N 1 3 296.371 -1.427 20 0 CAADHO NC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160704699 779978925 /nfs/dbraw/zinc/97/89/25/779978925.db2.gz NQNSDEVPIPWLTB-NXEZZACHSA-N 1 3 270.333 -1.974 20 0 CAADHO COC(=O)[C@H](C)N(C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160718386 779980085 /nfs/dbraw/zinc/98/00/85/779980085.db2.gz HULJUXGNQBFQQL-DTWKUNHWSA-N 1 3 255.318 -1.185 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771850 779980117 /nfs/dbraw/zinc/98/01/17/779980117.db2.gz HSMWANRXJKMWCJ-SNVBAGLBSA-N 1 3 284.360 -1.440 20 0 CAADHO N[C@H](C(=O)N1CCN2C(=O)COC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160789794 779980741 /nfs/dbraw/zinc/98/07/41/779980741.db2.gz FVVGODBTZMCBSO-YPMHNXCESA-N 1 3 296.371 -1.617 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772961 779981617 /nfs/dbraw/zinc/98/16/17/779981617.db2.gz YIMDPJRKVYZLQU-NSHDSACASA-N 1 3 298.387 -1.050 20 0 CAADHO CCOC(=O)[C@]12CN(C(=O)[C@H](CN)OC)C[C@H]1C[NH2+]CC2 ZINC001160812288 779982179 /nfs/dbraw/zinc/98/21/79/779982179.db2.gz MUICIBCIBQJXAZ-UHIISALHSA-N 1 3 299.371 -1.039 20 0 CAADHO CCOC(=O)[C@]12CN(C(=O)[C@@](C)(N)CO)C[C@H]1C[NH2+]CC2 ZINC001160806714 779982447 /nfs/dbraw/zinc/98/24/47/779982447.db2.gz ZEEFMANOYYPZLK-DDTOSNHZSA-N 1 3 299.371 -1.303 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2nncc2C1 ZINC001160833001 779982724 /nfs/dbraw/zinc/98/27/24/779982724.db2.gz NMLRMTDQLUJPJG-JTQLQIEISA-N 1 3 262.317 -1.571 20 0 CAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2nncc2C1 ZINC001160833004 779982872 /nfs/dbraw/zinc/98/28/72/779982872.db2.gz NMLRMTDQLUJPJG-SNVBAGLBSA-N 1 3 262.317 -1.571 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160837505 779982966 /nfs/dbraw/zinc/98/29/66/779982966.db2.gz ADZGBFXJMYDZBS-VWYCJHECSA-N 1 3 256.350 -1.678 20 0 CAADHO N[C@H](C(=O)N1CCn2nncc2C1)C1CC[NH2+]CC1 ZINC001160833111 779982989 /nfs/dbraw/zinc/98/29/89/779982989.db2.gz OPBKDSPNCUKSNU-NSHDSACASA-N 1 3 264.333 -1.053 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160837918 779983672 /nfs/dbraw/zinc/98/36/72/779983672.db2.gz FTDZRDSPRCDODE-PWSUYJOCSA-N 1 3 256.350 -1.534 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160840081 779983943 /nfs/dbraw/zinc/98/39/43/779983943.db2.gz VBTAXFANBFIRDT-GMTAPVOTSA-N 1 3 257.334 -1.644 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160838578 779983975 /nfs/dbraw/zinc/98/39/75/779983975.db2.gz KDWDWMSKLDINIA-AAEUAGOBSA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160840088 779983996 /nfs/dbraw/zinc/98/39/96/779983996.db2.gz VBTAXFANBFIRDT-OUAUKWLOSA-N 1 3 257.334 -1.644 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001160839396 779984047 /nfs/dbraw/zinc/98/40/47/779984047.db2.gz PLDLCBKYZWMNSZ-NSHDSACASA-N 1 3 270.377 -1.144 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)CN1CC[NH2+]CC1 ZINC001160840808 779984088 /nfs/dbraw/zinc/98/40/88/779984088.db2.gz ZYEJQTLGMWKQCM-LBPRGKRZSA-N 1 3 270.377 -1.319 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160839446 779984358 /nfs/dbraw/zinc/98/43/58/779984358.db2.gz SJWMLSDLWDPNLH-HBNTYKKESA-N 1 3 257.334 -1.502 20 0 CAADHO CN(C)C[C@H]1COCCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160837916 779984405 /nfs/dbraw/zinc/98/44/05/779984405.db2.gz FTDZRDSPRCDODE-CMPLNLGQSA-N 1 3 256.350 -1.534 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCN1C ZINC001160871443 779985067 /nfs/dbraw/zinc/98/50/67/779985067.db2.gz VJKGCWPUWRIRPV-RYUDHWBXSA-N 1 3 298.387 -1.371 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCN1C ZINC001160871591 779985099 /nfs/dbraw/zinc/98/50/99/779985099.db2.gz XWKZZDIRONYIOZ-QWRGUYRKSA-N 1 3 296.371 -1.889 20 0 CAADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCN1C ZINC001160871028 779985476 /nfs/dbraw/zinc/98/54/76/779985476.db2.gz PPBZDAXXZUCYLI-NXEZZACHSA-N 1 3 272.349 -1.632 20 0 CAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCN1C ZINC001160871029 779985536 /nfs/dbraw/zinc/98/55/36/779985536.db2.gz PPBZDAXXZUCYLI-UWVGGRQHSA-N 1 3 272.349 -1.632 20 0 CAADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160941277 779987771 /nfs/dbraw/zinc/98/77/71/779987771.db2.gz JVZGUQJIRDVJES-UWVGGRQHSA-N 1 3 266.345 -1.516 20 0 CAADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160941278 779987804 /nfs/dbraw/zinc/98/78/04/779987804.db2.gz JVZGUQJIRDVJES-VHSXEESVSA-N 1 3 266.345 -1.516 20 0 CAADHO CN1CCNC[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008448 779989213 /nfs/dbraw/zinc/98/92/13/779989213.db2.gz OMBCYINJNKZVCP-VXGBXAGGSA-N 1 3 282.388 -1.395 20 0 CAADHO [NH3+][C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CC(F)(F)C1 ZINC001160966766 779989420 /nfs/dbraw/zinc/98/94/20/779989420.db2.gz BIBFUBHHEFEIIJ-DTWKUNHWSA-N 1 3 290.314 -1.488 20 0 CAADHO [NH3+][C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CC(F)(F)C1 ZINC001160966770 779989587 /nfs/dbraw/zinc/98/95/87/779989587.db2.gz BIBFUBHHEFEIIJ-RKDXNWHRSA-N 1 3 290.314 -1.488 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081406 779992209 /nfs/dbraw/zinc/99/22/09/779992209.db2.gz JHTNVADANHWPIK-VIFPVBQESA-N 1 3 269.349 -1.273 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CNC(=O)N2)CC1 ZINC001161081968 779992240 /nfs/dbraw/zinc/99/22/40/779992240.db2.gz MWQSDDSGBRMSRK-JTQLQIEISA-N 1 3 293.371 -1.531 20 0 CAADHO CN(C(=O)[C@H]1COC2(CNC2)CN1)C1(C)CC[NH2+]CC1 ZINC001161067294 779993040 /nfs/dbraw/zinc/99/30/40/779993040.db2.gz HMSFTPICVVJZIT-LLVKDONJSA-N 1 3 282.388 -1.083 20 0 CAADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161093334 779994035 /nfs/dbraw/zinc/99/40/35/779994035.db2.gz LLMRJZJXPTWQIW-NXEZZACHSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)O2)C1CC[NH2+]CC1 ZINC001161085419 779994059 /nfs/dbraw/zinc/99/40/59/779994059.db2.gz WYPDHNNGGJFYLW-LPEHRKFASA-N 1 3 253.302 -1.160 20 0 CAADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161093756 779995456 /nfs/dbraw/zinc/99/54/56/779995456.db2.gz WIKZUAPHDSZIQT-MNOVXSKESA-N 1 3 297.355 -1.414 20 0 CAADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161093757 779996251 /nfs/dbraw/zinc/99/62/51/779996251.db2.gz WIKZUAPHDSZIQT-QWRGUYRKSA-N 1 3 297.355 -1.414 20 0 CAADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161138308 779997555 /nfs/dbraw/zinc/99/75/55/779997555.db2.gz RJXZNEMJFMFAGH-KWQFWETISA-N 1 3 258.322 -1.845 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161138356 779997616 /nfs/dbraw/zinc/99/76/16/779997616.db2.gz STCOGVGGGAQEAW-LERXQTSPSA-N 1 3 296.371 -1.712 20 0 CAADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161139018 779999196 /nfs/dbraw/zinc/99/91/96/779999196.db2.gz JEWQTDCJSABJNY-GZMMTYOYSA-N 1 3 290.389 -1.892 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221820 780001917 /nfs/dbraw/zinc/00/19/17/780001917.db2.gz QAOHBUNMAXENKV-ZCLKDUABSA-N 1 3 297.359 -2.630 20 0 CAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161236816 780002677 /nfs/dbraw/zinc/00/26/77/780002677.db2.gz GUCMPRWIEJOJPX-ZJUUUORDSA-N 1 3 272.349 -1.632 20 0 CAADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161236891 780003443 /nfs/dbraw/zinc/00/34/43/780003443.db2.gz HINMAJQNRKIOSY-QWRGUYRKSA-N 1 3 286.376 -1.242 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161239349 780003468 /nfs/dbraw/zinc/00/34/68/780003468.db2.gz JVBITFRXAXAIKP-KCJUWKMLSA-N 1 3 275.328 -1.339 20 0 CAADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161237261 780004189 /nfs/dbraw/zinc/00/41/89/780004189.db2.gz KFZANIVQYDOVIE-GHMZBOCLSA-N 1 3 296.371 -1.889 20 0 CAADHO C[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@H](C)N1 ZINC001161229577 780004372 /nfs/dbraw/zinc/00/43/72/780004372.db2.gz MRVMMJCXHDREEF-GARJFASQSA-N 1 3 268.361 -1.474 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161244988 780005481 /nfs/dbraw/zinc/00/54/81/780005481.db2.gz ACLFACYKSHACIZ-UYDXONCASA-N 1 3 265.354 -1.018 20 0 CAADHO CNC(=O)NC1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001161268009 780005621 /nfs/dbraw/zinc/00/56/21/780005621.db2.gz BEEFFAVIAPREHK-JTQLQIEISA-N 1 3 271.365 -1.027 20 0 CAADHO NC[C@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376792 780008071 /nfs/dbraw/zinc/00/80/71/780008071.db2.gz DFXGCEFPSUARCH-QWRGUYRKSA-N 1 3 255.366 -1.704 20 0 CAADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161372477 780009011 /nfs/dbraw/zinc/00/90/11/780009011.db2.gz JOIFBCVUVGCAQU-CABZTGNLSA-N 1 3 273.333 -1.157 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423502 780009512 /nfs/dbraw/zinc/00/95/12/780009512.db2.gz CCBRSHZSCCZBOJ-ZJUUUORDSA-N 1 3 258.391 -1.078 20 0 CAADHO NC[C@H](N)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382237 780010177 /nfs/dbraw/zinc/01/01/77/780010177.db2.gz VRFGFSVCIYNPHF-MNOVXSKESA-N 1 3 256.350 -1.404 20 0 CAADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161373366 780010788 /nfs/dbraw/zinc/01/07/88/780010788.db2.gz PPNBJBLEBFFVNV-GWCFXTLKSA-N 1 3 297.355 -1.414 20 0 CAADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]12 ZINC001161414027 780011408 /nfs/dbraw/zinc/01/14/08/780011408.db2.gz SDLYJZUWZJZAQB-DDHJBXDOSA-N 1 3 280.372 -1.488 20 0 CAADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC[NH2+]C1 ZINC001161418540 780011989 /nfs/dbraw/zinc/01/19/89/780011989.db2.gz FKLIMDSZLUBEIK-VIFPVBQESA-N 1 3 272.349 -1.366 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2CC[C@H]2C1 ZINC001161424057 780013601 /nfs/dbraw/zinc/01/36/01/780013601.db2.gz XMNZBYBCJRFWEM-STQMWFEESA-N 1 3 281.404 -1.347 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491380 780014988 /nfs/dbraw/zinc/01/49/88/780014988.db2.gz DVJXUNCDAJMDJC-KXUCPTDWSA-N 1 3 255.318 -1.274 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@@H]1[NH3+] ZINC001161493277 780016821 /nfs/dbraw/zinc/01/68/21/780016821.db2.gz IYRYHLPZHFKAQE-IJSLPSLBSA-N 1 3 263.363 -1.733 20 0 CAADHO CO[C@@H]1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001161491848 780017316 /nfs/dbraw/zinc/01/73/16/780017316.db2.gz JAYLOUCPYBTXSP-LPEHRKFASA-N 1 3 253.306 -1.536 20 0 CAADHO [NH3+][C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC12COC2 ZINC001161509325 780018981 /nfs/dbraw/zinc/01/89/81/780018981.db2.gz IZIYTKVLGVVVRO-UWVGGRQHSA-N 1 3 282.344 -2.497 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161501156 780019577 /nfs/dbraw/zinc/01/95/77/780019577.db2.gz UCAUGRUMPCVDFF-QWRGUYRKSA-N 1 3 279.344 -1.524 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1=O ZINC001161511046 780020451 /nfs/dbraw/zinc/02/04/51/780020451.db2.gz VNOJDCLDFPJPNT-WDEREUQCSA-N 1 3 296.371 -1.488 20 0 CAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001161529764 780020682 /nfs/dbraw/zinc/02/06/82/780020682.db2.gz GTOZDHQOVQEKET-UTLUCORTSA-N 1 3 254.334 -1.735 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCNC2(CC2)C1 ZINC001161550049 780023257 /nfs/dbraw/zinc/02/32/57/780023257.db2.gz APEOZCZKLQUIEA-LBPRGKRZSA-N 1 3 281.404 -1.299 20 0 CAADHO NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872372 780053498 /nfs/dbraw/zinc/05/34/98/780053498.db2.gz PWYNHSLWPJRIEG-IQLKVPPVSA-N 1 3 296.371 -1.569 20 0 CAADHO CN(c1nccc(C2C[NH2+]C2)n1)S(=O)(=O)CCN ZINC001164292343 780072745 /nfs/dbraw/zinc/07/27/45/780072745.db2.gz JWXAFKDYYGWNJI-UHFFFAOYSA-N 1 3 271.346 -1.112 20 0 CAADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667657 780092407 /nfs/dbraw/zinc/09/24/07/780092407.db2.gz GJAKLKDUXQSHNJ-JTQLQIEISA-N 1 3 256.350 -1.091 20 0 CAADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667659 780092661 /nfs/dbraw/zinc/09/26/61/780092661.db2.gz GJAKLKDUXQSHNJ-SNVBAGLBSA-N 1 3 256.350 -1.091 20 0 CAADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667662 780092800 /nfs/dbraw/zinc/09/28/00/780092800.db2.gz GMMYIJGXEOAWOS-JTQLQIEISA-N 1 3 299.375 -1.381 20 0 CAADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667664 780093069 /nfs/dbraw/zinc/09/30/69/780093069.db2.gz GMMYIJGXEOAWOS-SNVBAGLBSA-N 1 3 299.375 -1.381 20 0 CAADHO CS(=O)(=O)N(c1ncnc2c1CC[NH2+]CC2)C1CNC1 ZINC001166967076 780100486 /nfs/dbraw/zinc/10/04/86/780100486.db2.gz LAWHWHMORKFRLO-UHFFFAOYSA-N 1 3 297.384 -1.097 20 0 CAADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001210684207 780138605 /nfs/dbraw/zinc/13/86/05/780138605.db2.gz FWWRAIHFAIUIIT-NSHDSACASA-N 1 3 286.376 -1.370 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515605 780166871 /nfs/dbraw/zinc/16/68/71/780166871.db2.gz JFJPVTWMKNKYFH-YFKPBYRVSA-N 1 3 250.266 -1.247 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515604 780167071 /nfs/dbraw/zinc/16/70/71/780167071.db2.gz JFJPVTWMKNKYFH-RXMQYKEDSA-N 1 3 250.266 -1.247 20 0 CAADHO NC(=O)c1[nH]ncc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218563527 780170086 /nfs/dbraw/zinc/17/00/86/780170086.db2.gz CFPHYWBGJSGXNN-QMMMGPOBSA-N 1 3 295.347 -1.803 20 0 CAADHO Cn1ncc2c1ncnc2NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218557102 780170392 /nfs/dbraw/zinc/17/03/92/780170392.db2.gz GGEOHGBDEQQVDE-SVRRBLITSA-N 1 3 261.289 -1.009 20 0 CAADHO NC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218563510 780170459 /nfs/dbraw/zinc/17/04/59/780170459.db2.gz CADIMUCBBSOWRQ-LURJTMIESA-N 1 3 264.289 -1.744 20 0 CAADHO Cc1noc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1C(N)=O ZINC001218551301 780170691 /nfs/dbraw/zinc/17/06/91/780170691.db2.gz LPUHPXMDCQRPGT-ZETCQYMHSA-N 1 3 279.300 -1.171 20 0 CAADHO O=C(Nc1ncnn2cccc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218565470 780172176 /nfs/dbraw/zinc/17/21/76/780172176.db2.gz UDQKZHJEOVOXII-SECBINFHSA-N 1 3 272.312 -1.101 20 0 CAADHO Nc1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(=O)c1=O ZINC001218588182 780173309 /nfs/dbraw/zinc/17/33/09/780173309.db2.gz PIZBMRNDUOSVBJ-LURJTMIESA-N 1 3 252.274 -1.870 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218617995 780175445 /nfs/dbraw/zinc/17/54/45/780175445.db2.gz NBFULSRPIUNKTM-ZETCQYMHSA-N 1 3 276.300 -1.677 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218619149 780176674 /nfs/dbraw/zinc/17/66/74/780176674.db2.gz ZLXAHOBIODOZME-LURJTMIESA-N 1 3 252.278 -1.420 20 0 CAADHO NC(=O)c1nccnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218619101 780176717 /nfs/dbraw/zinc/17/67/17/780176717.db2.gz XUIUQGQQWNNRKP-AMIZOPFISA-N 1 3 290.327 -1.287 20 0 CAADHO Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nn1 ZINC001218629254 780178395 /nfs/dbraw/zinc/17/83/95/780178395.db2.gz SBNZVPCNCUHQMC-LDYMZIIASA-N 1 3 250.306 -1.047 20 0 CAADHO CCOc1cc(N)n(C(=O)[C@@H]2C[NH2+]CC23CNC3)c(=N)n1 ZINC001218681765 780181481 /nfs/dbraw/zinc/18/14/81/780181481.db2.gz ZKGNJPCISTWRAE-QMMMGPOBSA-N 1 3 292.343 -1.207 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751496 780184812 /nfs/dbraw/zinc/18/48/12/780184812.db2.gz ZPKPCNPKTKCFBV-VIFPVBQESA-N 1 3 287.345 -1.266 20 0 CAADHO CS(=O)(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219607926 780238061 /nfs/dbraw/zinc/23/80/61/780238061.db2.gz HERLPMXAQUSLQO-SECBINFHSA-N 1 3 263.363 -1.526 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[NH+](C)C ZINC001219553638 780228329 /nfs/dbraw/zinc/22/83/29/780228329.db2.gz DVNIAFUPNMVIRT-YUMQZZPRSA-N 1 3 273.337 -2.628 20 0 CAADHO CC[NH+](CC)CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219555511 780230122 /nfs/dbraw/zinc/23/01/22/780230122.db2.gz CVEQYJDSKYIOAH-LLVKDONJSA-N 1 3 270.377 -1.225 20 0 CAADHO N[C@@H](C(=O)NCCn1ccnn1)C1CC[NH2+]CC1 ZINC001219566327 780232140 /nfs/dbraw/zinc/23/21/40/780232140.db2.gz ZSUWCJAPAONCLC-SNVBAGLBSA-N 1 3 252.322 -1.279 20 0 CAADHO O=C(CCNC(=O)[C@H]1C[NH2+]CC12CNC2)N1CCOCC1 ZINC001219573198 780233339 /nfs/dbraw/zinc/23/33/39/780233339.db2.gz HPOZUHUNOWUTKH-LLVKDONJSA-N 1 3 296.371 -1.840 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573395 780233766 /nfs/dbraw/zinc/23/37/66/780233766.db2.gz LVRSOYRCQOAWKF-NSHDSACASA-N 1 3 286.376 -1.192 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]cn1 ZINC001219606380 780236827 /nfs/dbraw/zinc/23/68/27/780236827.db2.gz KLWVJXZCXQQJHP-LLVKDONJSA-N 1 3 266.349 -1.224 20 0 CAADHO O=C(CNC1CC[NH2+]CC1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617092 780240229 /nfs/dbraw/zinc/24/02/29/780240229.db2.gz ITOCFKGWHRWWQF-WCQYABFASA-N 1 3 288.367 -1.493 20 0 CAADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COC2(CNC2)CN1 ZINC001219635410 780243424 /nfs/dbraw/zinc/24/34/24/780243424.db2.gz FSAMOOKFNPSFTH-GUBZILKMSA-N 1 3 272.324 -1.867 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635319 780243478 /nfs/dbraw/zinc/24/34/78/780243478.db2.gz AMXYKFIUGZFISQ-LYJZTYBXSA-N 1 3 265.354 -1.102 20 0 CAADHO Cn1cnc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219632477 780244121 /nfs/dbraw/zinc/24/41/21/780244121.db2.gz NNUPVGMGZDOLLZ-NSHDSACASA-N 1 3 263.345 -1.112 20 0 CAADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219641913 780246010 /nfs/dbraw/zinc/24/60/10/780246010.db2.gz MPWRZSGMDFWYQS-TUAOUCFPSA-N 1 3 282.388 -1.321 20 0 CAADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219641912 780246024 /nfs/dbraw/zinc/24/60/24/780246024.db2.gz MPWRZSGMDFWYQS-SRVKXCTJSA-N 1 3 282.388 -1.321 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671527 780246487 /nfs/dbraw/zinc/24/64/87/780246487.db2.gz IYAZXEXNYAHIKT-IUCAKERBSA-N 1 3 263.363 -1.254 20 0 CAADHO O=C(N[C@H]1CCS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219672008 780246531 /nfs/dbraw/zinc/24/65/31/780246531.db2.gz ZXQYPVLBIBQLHS-JFGNBEQYSA-N 1 3 287.385 -1.511 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694063 780248655 /nfs/dbraw/zinc/24/86/55/780248655.db2.gz FJDPYSSMHLSCTL-JTQLQIEISA-N 1 3 267.333 -1.870 20 0 CAADHO C[C@@H]1C[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)C[NH2+]1 ZINC001219683680 780248665 /nfs/dbraw/zinc/24/86/65/780248665.db2.gz DKSRVARWYCFDQF-GMTAPVOTSA-N 1 3 268.361 -1.569 20 0 CAADHO CCOC(=O)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219691660 780248831 /nfs/dbraw/zinc/24/88/31/780248831.db2.gz SVLKXBRLMCJTJZ-VIFPVBQESA-N 1 3 255.318 -1.135 20 0 CAADHO NC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001219682286 780248894 /nfs/dbraw/zinc/24/88/94/780248894.db2.gz JGASXQQDKNZRTG-LDYMZIIASA-N 1 3 252.318 -1.680 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCC1(O)C[NH2+]C1 ZINC001219697659 780249870 /nfs/dbraw/zinc/24/98/70/780249870.db2.gz WOUGYEMNODFROI-ONGXEEELSA-N 1 3 286.376 -1.683 20 0 CAADHO CN1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219695473 780249951 /nfs/dbraw/zinc/24/99/51/780249951.db2.gz USTZOBWWOZKJSR-WDEREUQCSA-N 1 3 268.361 -1.758 20 0 CAADHO N[C@H]1CCCCN(CC(=O)NCCC2(O)C[NH2+]C2)C1=O ZINC001219697300 780250008 /nfs/dbraw/zinc/25/00/08/780250008.db2.gz RPDRHDPWPNWEJN-JTQLQIEISA-N 1 3 284.360 -1.833 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695254 780250310 /nfs/dbraw/zinc/25/03/10/780250310.db2.gz SKOGGJONBJKWIK-SECBINFHSA-N 1 3 253.306 -1.880 20 0 CAADHO CN1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219695472 780251125 /nfs/dbraw/zinc/25/11/25/780251125.db2.gz USTZOBWWOZKJSR-QWRGUYRKSA-N 1 3 268.361 -1.758 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711268 780251733 /nfs/dbraw/zinc/25/17/33/780251733.db2.gz BXBBDBIDFZRQGK-IVZWLZJFSA-N 1 3 253.306 -2.261 20 0 CAADHO Nc1nc(=O)[nH]cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219702345 780252151 /nfs/dbraw/zinc/25/21/51/780252151.db2.gz ZUSMEJZRCCWXIG-ZCFIWIBFSA-N 1 3 264.289 -1.488 20 0 CAADHO Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219702344 780252688 /nfs/dbraw/zinc/25/26/88/780252688.db2.gz ZUSMEJZRCCWXIG-LURJTMIESA-N 1 3 264.289 -1.488 20 0 CAADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2COC[C@@H]2[NH3+])C1=O ZINC001219720868 780253167 /nfs/dbraw/zinc/25/31/67/780253167.db2.gz UBQUFAYUYZYWSO-LPEHRKFASA-N 1 3 270.333 -1.832 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719940 780253761 /nfs/dbraw/zinc/25/37/61/780253761.db2.gz AVAZTKHDWAIPKU-GJMOJQLCSA-N 1 3 259.310 -2.396 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720702 780254002 /nfs/dbraw/zinc/25/40/02/780254002.db2.gz PLWHVSGXHZWDJP-DKXJUACHSA-N 1 3 287.320 -3.464 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737510 780255412 /nfs/dbraw/zinc/25/54/12/780255412.db2.gz XWGVRGYNSXTCFA-MNOVXSKESA-N 1 3 279.344 -1.226 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737510 780255419 /nfs/dbraw/zinc/25/54/19/780255419.db2.gz XWGVRGYNSXTCFA-MNOVXSKESA-N 1 3 279.344 -1.226 20 0 CAADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1COC2(CNC2)CN1 ZINC001219736745 780255888 /nfs/dbraw/zinc/25/58/88/780255888.db2.gz GMNAQMWPRYDPHE-GHMZBOCLSA-N 1 3 296.371 -2.189 20 0 CAADHO O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001219767806 780259550 /nfs/dbraw/zinc/25/95/50/780259550.db2.gz FIYPEZYOYJCWFS-CMPLNLGQSA-N 1 3 286.351 -1.475 20 0 CAADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1COC2(CNC2)CN1 ZINC001219767807 780259614 /nfs/dbraw/zinc/25/96/14/780259614.db2.gz FIYPEZYOYJCWFS-JQWIXIFHSA-N 1 3 286.351 -1.475 20 0 CAADHO CC(=O)OC[C@H](N)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764447 780259649 /nfs/dbraw/zinc/25/96/49/780259649.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 1 3 284.360 -1.713 20 0 CAADHO CC(=O)OC[C@H](N)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764447 780259654 /nfs/dbraw/zinc/25/96/54/780259654.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 1 3 284.360 -1.713 20 0 CAADHO CC(=O)OC[C@H](N)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764447 780259665 /nfs/dbraw/zinc/25/96/65/780259665.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 1 3 284.360 -1.713 20 0 CAADHO NC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787820 780261586 /nfs/dbraw/zinc/26/15/86/780261586.db2.gz LYCGVRTXBZAOJB-PWSUYJOCSA-N 1 3 265.361 -1.000 20 0 CAADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1COC2(CNC2)CN1 ZINC001219812729 780262446 /nfs/dbraw/zinc/26/24/46/780262446.db2.gz ICNAOVPVDLRKKV-GVXVVHGQSA-N 1 3 296.371 -2.331 20 0 CAADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1COC2(CNC2)CN1 ZINC001219812730 780263010 /nfs/dbraw/zinc/26/30/10/780263010.db2.gz ICNAOVPVDLRKKV-LOWVWBTDSA-N 1 3 296.371 -2.331 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831340 780263988 /nfs/dbraw/zinc/26/39/88/780263988.db2.gz HBPOZGWOPOHIOK-DBIOUOCHSA-N 1 3 299.375 -1.745 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831682 780264030 /nfs/dbraw/zinc/26/40/30/780264030.db2.gz UIPMCLRCQCNBAV-YJQGPUDQSA-N 1 3 279.344 -1.227 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831682 780264033 /nfs/dbraw/zinc/26/40/33/780264033.db2.gz UIPMCLRCQCNBAV-YJQGPUDQSA-N 1 3 279.344 -1.227 20 0 CAADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1COC2(CNC2)CN1 ZINC001219831525 780264220 /nfs/dbraw/zinc/26/42/20/780264220.db2.gz NPISWMIXPGDKKI-KKOKHZNYSA-N 1 3 296.371 -2.190 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813453 780264209 /nfs/dbraw/zinc/26/42/09/780264209.db2.gz UYTZVOZPOXUWPP-LTOUFWGNSA-N 1 3 289.401 -1.566 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831184 780264581 /nfs/dbraw/zinc/26/45/81/780264581.db2.gz ALUREOBHPVILDB-NMVCOTICSA-N 1 3 289.401 -1.425 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813100 780264769 /nfs/dbraw/zinc/26/47/69/780264769.db2.gz OAZHNRRFIVNWQB-GAFUQQFSSA-N 1 3 279.344 -1.368 20 0 CAADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813100 780264775 /nfs/dbraw/zinc/26/47/75/780264775.db2.gz OAZHNRRFIVNWQB-GAFUQQFSSA-N 1 3 279.344 -1.368 20 0 CAADHO C[C@@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834342 780265507 /nfs/dbraw/zinc/26/55/07/780265507.db2.gz PYTXZJISYZHGMI-JFGNBEQYSA-N 1 3 257.334 -1.155 20 0 CAADHO NC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833567 780265959 /nfs/dbraw/zinc/26/59/59/780265959.db2.gz DYRZCUBZMLNUAY-NHCYSSNCSA-N 1 3 272.349 -2.216 20 0 CAADHO NC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833565 780266090 /nfs/dbraw/zinc/26/60/90/780266090.db2.gz DYRZCUBZMLNUAY-JFGNBEQYSA-N 1 3 272.349 -2.216 20 0 CAADHO NC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833568 780266119 /nfs/dbraw/zinc/26/61/19/780266119.db2.gz DYRZCUBZMLNUAY-SCVCMEIPSA-N 1 3 272.349 -2.216 20 0 CAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC001219847804 780267659 /nfs/dbraw/zinc/26/76/59/780267659.db2.gz SPSFBYOFGFIFLW-AJBSGBCOSA-N 1 3 255.318 -1.798 20 0 CAADHO N[C@@]1(C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)CC[NH2+]C1 ZINC001219847326 780267725 /nfs/dbraw/zinc/26/77/25/780267725.db2.gz DBXBKFHPXMTEFB-GUDRVLHUSA-N 1 3 254.334 -1.687 20 0 CAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[NH2+]C[C@H]1O ZINC001219847807 780267760 /nfs/dbraw/zinc/26/77/60/780267760.db2.gz SPSFBYOFGFIFLW-ZKKRXERASA-N 1 3 255.318 -1.798 20 0 CAADHO N[C@]1(C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)CC[NH2+]C1 ZINC001219847327 780267813 /nfs/dbraw/zinc/26/78/13/780267813.db2.gz DBXBKFHPXMTEFB-UXCLJVHYSA-N 1 3 254.334 -1.687 20 0 CAADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1COC2(CNC2)CN1 ZINC001219854602 780269934 /nfs/dbraw/zinc/26/99/34/780269934.db2.gz MREVUUUPTVPXKR-VPOLOUISSA-N 1 3 282.344 -2.580 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856446 780270015 /nfs/dbraw/zinc/27/00/15/780270015.db2.gz MVGCYGFQVZIRPR-UGCHFJIKSA-N 1 3 298.387 -1.421 20 0 CAADHO O=C(NC[C@@H](O)CO)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219865184 780270828 /nfs/dbraw/zinc/27/08/28/780270828.db2.gz FDLVIHHCJBPWLG-NXEZZACHSA-N 1 3 257.334 -1.670 20 0 CAADHO O=C(NC[C@@H](O)CO)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219865184 780270835 /nfs/dbraw/zinc/27/08/35/780270835.db2.gz FDLVIHHCJBPWLG-NXEZZACHSA-N 1 3 257.334 -1.670 20 0 CAADHO O=C(NC[C@@H](O)CO)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219865185 780271538 /nfs/dbraw/zinc/27/15/38/780271538.db2.gz FDLVIHHCJBPWLG-ZJUUUORDSA-N 1 3 257.334 -1.670 20 0 CAADHO O=C(NC[C@@H](O)CO)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219865185 780271546 /nfs/dbraw/zinc/27/15/46/780271546.db2.gz FDLVIHHCJBPWLG-ZJUUUORDSA-N 1 3 257.334 -1.670 20 0 CAADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219915789 780273298 /nfs/dbraw/zinc/27/32/98/780273298.db2.gz AZBMDROTPZRSPG-ZJUUUORDSA-N 1 3 256.350 -1.617 20 0 CAADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219890686 780274368 /nfs/dbraw/zinc/27/43/68/780274368.db2.gz JSODJAJIFFDXJC-WDMOLILDSA-N 1 3 278.356 -1.468 20 0 CAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[NH2+]CCO ZINC001219918914 780277014 /nfs/dbraw/zinc/27/70/14/780277014.db2.gz TZZXUWQMMXKUKM-ONGXEEELSA-N 1 3 274.365 -1.826 20 0 CAADHO C[S@](=O)CC[C@H](N)C(=O)NCC[NH2+]CCO ZINC001219919042 780276948 /nfs/dbraw/zinc/27/69/48/780276948.db2.gz WEJOBJIOVFIITE-PWJLMRLQSA-N 1 3 251.352 -2.220 20 0 CAADHO N[C@H]1CCCCN(CC(=O)NCC[NH2+]CCO)C1=O ZINC001219918267 780277151 /nfs/dbraw/zinc/27/71/51/780277151.db2.gz JAYXWMBIXDVNFE-JTQLQIEISA-N 1 3 272.349 -1.976 20 0 CAADHO O=C(N[C@H]1C=CS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219945667 780278906 /nfs/dbraw/zinc/27/89/06/780278906.db2.gz PNDSJKSPFXPSEM-JFGNBEQYSA-N 1 3 285.369 -1.388 20 0 CAADHO N[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945615 780279834 /nfs/dbraw/zinc/27/98/34/780279834.db2.gz NZVISXSUHDPWFE-VHSXEESVSA-N 1 3 273.358 -1.260 20 0 CAADHO Cc1nonc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219948181 780279930 /nfs/dbraw/zinc/27/99/30/780279930.db2.gz OBDMBUCCSHPBFK-QMMMGPOBSA-N 1 3 251.290 -1.197 20 0 CAADHO O=C(NC[C@@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219959576 780280420 /nfs/dbraw/zinc/28/04/20/780280420.db2.gz ZEGSIZDEZCCEQC-GBIKHYSHSA-N 1 3 266.345 -1.420 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219961838 780282362 /nfs/dbraw/zinc/28/23/62/780282362.db2.gz YPVLVNPPTMAAHR-ZETCQYMHSA-N 1 3 284.407 -2.329 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219960924 780282539 /nfs/dbraw/zinc/28/25/39/780282539.db2.gz CDVQONSTJXNCHM-SECBINFHSA-N 1 3 278.378 -2.021 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219961848 780282547 /nfs/dbraw/zinc/28/25/47/780282547.db2.gz ZCWCPCODDKFINJ-QMMMGPOBSA-N 1 3 276.362 -2.539 20 0 CAADHO CNS(=O)(=O)CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219961847 780282595 /nfs/dbraw/zinc/28/25/95/780282595.db2.gz ZCWCPCODDKFINJ-MRVPVSSYSA-N 1 3 276.362 -2.539 20 0 CAADHO [NH3+]CCC[C@@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219967996 780282897 /nfs/dbraw/zinc/28/28/97/780282897.db2.gz ROZMQNRZGVOPDD-RKDXNWHRSA-N 1 3 255.322 -1.319 20 0 CAADHO N[C@H](C(=O)NC[C@@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959549 780283390 /nfs/dbraw/zinc/28/33/90/780283390.db2.gz YMQHRUWVMLLVHW-ONGXEEELSA-N 1 3 254.334 -1.292 20 0 CAADHO [NH3+]CCC[C@H]([NH3+])C(=O)NCCCc1c[n-][nH]c1=O ZINC001219967993 780283433 /nfs/dbraw/zinc/28/34/33/780283433.db2.gz ROZMQNRZGVOPDD-BDAKNGLRSA-N 1 3 255.322 -1.319 20 0 CAADHO [NH3+][C@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969491 780284833 /nfs/dbraw/zinc/28/48/33/780284833.db2.gz BTFNGQIENUOPDC-MNOVXSKESA-N 1 3 281.360 -1.059 20 0 CAADHO Cn1c(NC(=O)[C@@H](N)CCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984410 780287478 /nfs/dbraw/zinc/28/74/78/780287478.db2.gz INGGRCPHSCQBNU-YFKPBYRVSA-N 1 3 284.276 -1.112 20 0 CAADHO CN1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCC1=O ZINC001220006806 780289490 /nfs/dbraw/zinc/28/94/90/780289490.db2.gz CVQAUZHUZXDOHC-UWVGGRQHSA-N 1 3 266.345 -1.468 20 0 CAADHO CN1C[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CCC1=O ZINC001220006809 780290100 /nfs/dbraw/zinc/29/01/00/780290100.db2.gz CVQAUZHUZXDOHC-VHSXEESVSA-N 1 3 266.345 -1.468 20 0 CAADHO O=C(NC1(CO)CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220018857 780291281 /nfs/dbraw/zinc/29/12/81/780291281.db2.gz WRXNROAOAGYREA-SNVBAGLBSA-N 1 3 269.345 -1.547 20 0 CAADHO O=C(NC1(CO)CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220018856 780291515 /nfs/dbraw/zinc/29/15/15/780291515.db2.gz WRXNROAOAGYREA-JTQLQIEISA-N 1 3 269.345 -1.547 20 0 CAADHO CC(C)[C@](C)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220023244 780293435 /nfs/dbraw/zinc/29/34/35/780293435.db2.gz SGIUXSRLWXDGLX-CABZTGNLSA-N 1 3 268.361 -1.188 20 0 CAADHO N=c1cc(C[NH3+])ncn1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001220020644 780293526 /nfs/dbraw/zinc/29/35/26/780293526.db2.gz QCXYBPIGZCYWJL-SECBINFHSA-N 1 3 278.316 -2.208 20 0 CAADHO O=C(N[C@H]1CCC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220028523 780294050 /nfs/dbraw/zinc/29/40/50/780294050.db2.gz VVYDKVOKMDPVSA-VYUIOLGVSA-N 1 3 280.328 -1.893 20 0 CAADHO CC(C)(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220034381 780295631 /nfs/dbraw/zinc/29/56/31/780295631.db2.gz XSJNBCZKXZWXRN-QMMMGPOBSA-N 1 3 254.334 -1.577 20 0 CAADHO CC(C)(CNC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O ZINC001220034155 780295806 /nfs/dbraw/zinc/29/58/06/780295806.db2.gz VQEQCBXACSKAEF-SECBINFHSA-N 1 3 256.350 -1.059 20 0 CAADHO CC(C)(CNC(=O)[C@@H](N)CSCC[NH3+])C(N)=O ZINC001220033593 780296739 /nfs/dbraw/zinc/29/67/39/780296739.db2.gz OBECWXLXULWXHI-ZETCQYMHSA-N 1 3 262.379 -1.367 20 0 CAADHO C[NH2+]CCNC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220051006 780297143 /nfs/dbraw/zinc/29/71/43/780297143.db2.gz BKTZYJMPNALVHJ-JTQLQIEISA-N 1 3 294.359 -1.351 20 0 CAADHO N=c1cc(C[NH3+])ccn1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001220044895 780297362 /nfs/dbraw/zinc/29/73/62/780297362.db2.gz CWSYNYPGEGGCOK-SNVBAGLBSA-N 1 3 277.328 -1.603 20 0 CAADHO N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220044894 780298088 /nfs/dbraw/zinc/29/80/88/780298088.db2.gz CWSYNYPGEGGCOK-JTQLQIEISA-N 1 3 277.328 -1.603 20 0 CAADHO N=C(NC(=O)[C@@H]1COC2(CNC2)CN1)SCC[NH3+] ZINC001220106539 780304794 /nfs/dbraw/zinc/30/47/94/780304794.db2.gz RBEKQNYQZRJORC-ZETCQYMHSA-N 1 3 273.362 -1.940 20 0 CAADHO CCC(CO)(CO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220110237 780305896 /nfs/dbraw/zinc/30/58/96/780305896.db2.gz ZPWMPDKRLZOVPD-SNVBAGLBSA-N 1 3 259.350 -1.437 20 0 CAADHO CCC(CO)(CO)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220109645 780306142 /nfs/dbraw/zinc/30/61/42/780306142.db2.gz HVMUHGZHLPCVGZ-VIFPVBQESA-N 1 3 257.334 -1.955 20 0 CAADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220140972 780309710 /nfs/dbraw/zinc/30/97/10/780309710.db2.gz DJAJOJRSWKGQPG-IVZWLZJFSA-N 1 3 277.390 -1.074 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143577 780311035 /nfs/dbraw/zinc/31/10/35/780311035.db2.gz NMOFTOFOFNQSHT-VIFPVBQESA-N 1 3 275.374 -1.254 20 0 CAADHO N[C@H](C(=O)NC1CC(CO)(CO)C1)C1CC[NH2+]CC1 ZINC001220151936 780312105 /nfs/dbraw/zinc/31/21/05/780312105.db2.gz NIEUAFNSMCIDON-NSHDSACASA-N 1 3 271.361 -1.437 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220151975 780312840 /nfs/dbraw/zinc/31/28/40/780312840.db2.gz PDAJWUCVPLFZKP-VIFPVBQESA-N 1 3 277.390 -1.745 20 0 CAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1(C[NH3+])COC1 ZINC001220154060 780313713 /nfs/dbraw/zinc/31/37/13/780313713.db2.gz JHSICPYOLFKSJX-UWVGGRQHSA-N 1 3 286.376 -1.292 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159990 780313750 /nfs/dbraw/zinc/31/37/50/780313750.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 1 3 283.420 -1.053 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156902 780314060 /nfs/dbraw/zinc/31/40/60/780314060.db2.gz PJUZMMZBAPWLIP-WDEREUQCSA-N 1 3 268.361 -1.473 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NC1(C[NH3+])COC1 ZINC001220154722 780314510 /nfs/dbraw/zinc/31/45/10/780314510.db2.gz XZSOSFOMEQKENB-SSDOTTSWSA-N 1 3 259.310 -2.394 20 0 CAADHO CN1CCC[C@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156901 780314530 /nfs/dbraw/zinc/31/45/30/780314530.db2.gz PJUZMMZBAPWLIP-QWRGUYRKSA-N 1 3 268.361 -1.473 20 0 CAADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170795 780315887 /nfs/dbraw/zinc/31/58/87/780315887.db2.gz VAWAHZIUIJSNLU-NXEZZACHSA-N 1 3 273.333 -1.299 20 0 CAADHO O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220173040 780315929 /nfs/dbraw/zinc/31/59/29/780315929.db2.gz HBUQMJFWBVTKKK-WDEREUQCSA-N 1 3 297.355 -1.556 20 0 CAADHO N[C@H](C(=O)N[C@@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173274 780316021 /nfs/dbraw/zinc/31/60/21/780316021.db2.gz MBLNQAYNLPNWLF-NEPJUHHUSA-N 1 3 299.371 -1.039 20 0 CAADHO O=C(N[C@H]1COCC[C@@H]1O)[C@H]1C[NH2+]CC12CNC2 ZINC001220181659 780316808 /nfs/dbraw/zinc/31/68/08/780316808.db2.gz XQVIPYGGFGZPMN-UTLUCORTSA-N 1 3 255.318 -1.939 20 0 CAADHO Cn1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1=O ZINC001220178975 780317018 /nfs/dbraw/zinc/31/70/18/780317018.db2.gz CAXOGWXSHKFLSU-NSHDSACASA-N 1 3 276.340 -1.190 20 0 CAADHO N[C@@H](C(=O)N[C@H]1COCC[C@@H]1O)C1CC[NH2+]CC1 ZINC001220181484 780317497 /nfs/dbraw/zinc/31/74/97/780317497.db2.gz QGXCNMWSYZEWJP-GARJFASQSA-N 1 3 257.334 -1.421 20 0 CAADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001220183355 780319038 /nfs/dbraw/zinc/31/90/38/780319038.db2.gz MMWKRNGBXDRAFH-ZETCQYMHSA-N 1 3 266.305 -1.007 20 0 CAADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001220183305 780319146 /nfs/dbraw/zinc/31/91/46/780319146.db2.gz LFNYPVXJUDNDKF-ZETCQYMHSA-N 1 3 298.372 -1.054 20 0 CAADHO COc1ccnc(C(=N)NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220183826 780319308 /nfs/dbraw/zinc/31/93/08/780319308.db2.gz ZOKMQCPAFWEENU-MRVPVSSYSA-N 1 3 290.327 -1.264 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1=O ZINC001220245250 780325329 /nfs/dbraw/zinc/32/53/29/780325329.db2.gz LRQQUUITIYSEDN-ZJUUUORDSA-N 1 3 266.345 -1.610 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1=O ZINC001220245409 780325571 /nfs/dbraw/zinc/32/55/71/780325571.db2.gz QOBHJGMZTRDZJH-SKDRFNHKSA-N 1 3 268.361 -1.092 20 0 CAADHO CN1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1=O ZINC001220245155 780325579 /nfs/dbraw/zinc/32/55/79/780325579.db2.gz ICZYXONICZHBIF-JTNHKYCSSA-N 1 3 280.372 -1.220 20 0 CAADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220252062 780327069 /nfs/dbraw/zinc/32/70/69/780327069.db2.gz NDJNSZHSIBTLLB-RYUDHWBXSA-N 1 3 282.388 -1.083 20 0 CAADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220252062 780327072 /nfs/dbraw/zinc/32/70/72/780327072.db2.gz NDJNSZHSIBTLLB-RYUDHWBXSA-N 1 3 282.388 -1.083 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220268374 780328093 /nfs/dbraw/zinc/32/80/93/780328093.db2.gz GADTVLBDOGPATL-JTQLQIEISA-N 1 3 292.405 -1.679 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@H](N)CCC[NH3+] ZINC001220269209 780328273 /nfs/dbraw/zinc/32/82/73/780328273.db2.gz XIGJZKLCJQBVIU-MRVPVSSYSA-N 1 3 266.367 -1.940 20 0 CAADHO CN(C)S(=O)(=O)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220268695 780328744 /nfs/dbraw/zinc/32/87/44/780328744.db2.gz OYMQTBNOIGSWBJ-VIFPVBQESA-N 1 3 290.389 -2.197 20 0 CAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282414 780329315 /nfs/dbraw/zinc/32/93/15/780329315.db2.gz JXHVWERJIBOPKQ-FXQIFTODSA-N 1 3 271.321 -2.828 20 0 CAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C2)COC1(C)C ZINC001220283569 780329428 /nfs/dbraw/zinc/32/94/28/780329428.db2.gz YLPPKBXVWBNKIH-GUBZILKMSA-N 1 3 284.360 -1.225 20 0 CAADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316386 780332050 /nfs/dbraw/zinc/33/20/50/780332050.db2.gz OVSZDLWQKHMVMJ-SFYZADRCSA-N 1 3 276.362 -2.363 20 0 CAADHO [NH3+]C[C@H](O)CC(=O)NCc1ncn2c1CNCCC2 ZINC001220310441 780333904 /nfs/dbraw/zinc/33/39/04/780333904.db2.gz AOQFPTREKJDIGO-SECBINFHSA-N 1 3 267.333 -1.298 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315666 780335546 /nfs/dbraw/zinc/33/55/46/780335546.db2.gz GTGYVOLUHSABOS-QWRGUYRKSA-N 1 3 286.376 -1.323 20 0 CAADHO O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220317204 780336780 /nfs/dbraw/zinc/33/67/80/780336780.db2.gz WVBXOGSQYDHGMW-BDAKNGLRSA-N 1 3 268.317 -2.573 20 0 CAADHO NC(=O)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220329165 780337668 /nfs/dbraw/zinc/33/76/68/780337668.db2.gz IBZOAPRHDRFUMD-VHSKPIJISA-N 1 3 256.306 -2.852 20 0 CAADHO Cc1cc(NC(=O)[C@@H](N)CCC[NH3+])n(N)c(=O)c1 ZINC001220323887 780337695 /nfs/dbraw/zinc/33/76/95/780337695.db2.gz PXFBBXBTPMVFIX-QMMMGPOBSA-N 1 3 253.306 -1.125 20 0 CAADHO COc1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)nn1 ZINC001220343408 780339600 /nfs/dbraw/zinc/33/96/00/780339600.db2.gz NFMYTLHFQKQNPG-SNVBAGLBSA-N 1 3 277.328 -1.090 20 0 CAADHO COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220373598 780341678 /nfs/dbraw/zinc/34/16/78/780341678.db2.gz TZHTYZNZMFVORP-SSDOTTSWSA-N 1 3 279.300 -1.056 20 0 CAADHO CN1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220382022 780342786 /nfs/dbraw/zinc/34/27/86/780342786.db2.gz PTARMWNEYBUCJA-MBNYWOFBSA-N 1 3 282.388 -1.368 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220380611 780343038 /nfs/dbraw/zinc/34/30/38/780343038.db2.gz AJISEKFRVOXOFS-ZJUUUORDSA-N 1 3 276.406 -1.548 20 0 CAADHO CN1CCOC[C@H]1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220382405 780343503 /nfs/dbraw/zinc/34/35/03/780343503.db2.gz WHAWCFCJKPSPRB-VXGBXAGGSA-N 1 3 270.377 -1.240 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@H](N)CCC[NH3+])[nH]c1=O ZINC001220424856 780346030 /nfs/dbraw/zinc/34/60/30/780346030.db2.gz WOKQTDXXJUBOBU-ZCFIWIBFSA-N 1 3 255.278 -1.509 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@@H](N)CCCC[NH3+])[nH]c1=O ZINC001220424686 780346199 /nfs/dbraw/zinc/34/61/99/780346199.db2.gz PMXBJAVICMGSLK-ZETCQYMHSA-N 1 3 269.305 -1.119 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[nH]c1=O ZINC001220424937 780348231 /nfs/dbraw/zinc/34/82/31/780348231.db2.gz ZJGNBRNNYMUCIZ-JTQLQIEISA-N 1 3 281.316 -1.249 20 0 CAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1COCCN1 ZINC001220431786 780348338 /nfs/dbraw/zinc/34/83/38/780348338.db2.gz PNXBYFARVNXFOA-NWDGAFQWSA-N 1 3 285.392 -2.159 20 0 CAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1COCCN1 ZINC001220431785 780348551 /nfs/dbraw/zinc/34/85/51/780348551.db2.gz PNXBYFARVNXFOA-NEPJUHHUSA-N 1 3 285.392 -2.159 20 0 CAADHO Cn1c(=O)cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[nH]c1=O ZINC001220424893 780348727 /nfs/dbraw/zinc/34/87/27/780348727.db2.gz XXKPJTHWKQDFEI-AMIZOPFISA-N 1 3 293.327 -1.377 20 0 CAADHO O=C(CCO)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220449035 780349130 /nfs/dbraw/zinc/34/91/30/780349130.db2.gz HEZBYSPBSZHRHT-LLVKDONJSA-N 1 3 269.345 -1.072 20 0 CAADHO O=C(CCO)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220449035 780349131 /nfs/dbraw/zinc/34/91/31/780349131.db2.gz HEZBYSPBSZHRHT-LLVKDONJSA-N 1 3 269.345 -1.072 20 0 CAADHO O=C(N[C@@H](CO)C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220447528 780349627 /nfs/dbraw/zinc/34/96/27/780349627.db2.gz LKGDYZUGXDJSIX-RQJHMYQMSA-N 1 3 267.251 -1.165 20 0 CAADHO O=C(CCO)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220449036 780350275 /nfs/dbraw/zinc/35/02/75/780350275.db2.gz HEZBYSPBSZHRHT-NSHDSACASA-N 1 3 269.345 -1.072 20 0 CAADHO O=C(CCO)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220449036 780350285 /nfs/dbraw/zinc/35/02/85/780350285.db2.gz HEZBYSPBSZHRHT-NSHDSACASA-N 1 3 269.345 -1.072 20 0 CAADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](N)CCC[NH3+] ZINC001220478044 780351753 /nfs/dbraw/zinc/35/17/53/780351753.db2.gz XRJYNJNMZFWVTB-BDAKNGLRSA-N 1 3 275.349 -1.129 20 0 CAADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H](O)C[C@@H]1CO ZINC001220481809 780353570 /nfs/dbraw/zinc/35/35/70/780353570.db2.gz RWOPXKAKMTUJGY-IJLUTSLNSA-N 1 3 283.372 -1.185 20 0 CAADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H](O)C[C@@H]1CO ZINC001220481809 780353578 /nfs/dbraw/zinc/35/35/78/780353578.db2.gz RWOPXKAKMTUJGY-IJLUTSLNSA-N 1 3 283.372 -1.185 20 0 CAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](O)C[C@@H]1CO ZINC001220481406 780353665 /nfs/dbraw/zinc/35/36/65/780353665.db2.gz GNESULWBYRBPJY-BBBLOLIVSA-N 1 3 255.318 -2.251 20 0 CAADHO [NH3+]C1(CNC(=O)[C@H]2COC3(CNC3)CN2)CCCC1 ZINC001220494268 780355106 /nfs/dbraw/zinc/35/51/06/780355106.db2.gz IBJXOSXVKRDIBN-SNVBAGLBSA-N 1 3 268.361 -1.296 20 0 CAADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCCOCCOCC[NH3+] ZINC001220517438 780356415 /nfs/dbraw/zinc/35/64/15/780356415.db2.gz LQYMNKFLXKOXPG-NSHDSACASA-N 1 3 285.348 -1.612 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220515812 780356950 /nfs/dbraw/zinc/35/69/50/780356950.db2.gz LNBFGXROMKOGBC-JTQLQIEISA-N 1 3 254.338 -1.714 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220516189 780357121 /nfs/dbraw/zinc/35/71/21/780357121.db2.gz RMKJKEDCKFSPKX-JTQLQIEISA-N 1 3 271.365 -2.677 20 0 CAADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H](N)CCC[NH3+] ZINC001220514496 780357709 /nfs/dbraw/zinc/35/77/09/780357709.db2.gz NDAWPKKKBLJJJE-ZCFIWIBFSA-N 1 3 283.288 -1.027 20 0 CAADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220517785 780358655 /nfs/dbraw/zinc/35/86/55/780358655.db2.gz ZUTCZMCUEYJEPX-HUTHGQBESA-N 1 3 264.395 -1.911 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CCNC1 ZINC001220522822 780359013 /nfs/dbraw/zinc/35/90/13/780359013.db2.gz FXKRVTXLATVJMC-GXSJLCMTSA-N 1 3 283.328 -1.507 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCNC1 ZINC001220521421 780359179 /nfs/dbraw/zinc/35/91/79/780359179.db2.gz GKGQVIKGPDXPCW-KWQFWETISA-N 1 3 283.328 -1.364 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519486 780359368 /nfs/dbraw/zinc/35/93/68/780359368.db2.gz PXWKPVDWYHOWJT-APBUJDDRSA-N 1 3 295.405 -1.810 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CCNC1 ZINC001220522825 780359687 /nfs/dbraw/zinc/35/96/87/780359687.db2.gz FXKRVTXLATVJMC-MWLCHTKSSA-N 1 3 283.328 -1.507 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570976 780363313 /nfs/dbraw/zinc/36/33/13/780363313.db2.gz FPYKZZTVBGGVDX-JTQLQIEISA-N 1 3 256.350 -1.499 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220583097 780367353 /nfs/dbraw/zinc/36/73/53/780367353.db2.gz DHZRNAIMNFEVCP-SNVBAGLBSA-N 1 3 283.332 -1.370 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CC[S@](C)=O ZINC001220583715 780367664 /nfs/dbraw/zinc/36/76/64/780367664.db2.gz VTMRPRHSDTZLKG-UGZDLDLSSA-N 1 3 293.389 -1.567 20 0 CAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CC[S@@](C)=O ZINC001220583716 780368813 /nfs/dbraw/zinc/36/88/13/780368813.db2.gz VTMRPRHSDTZLKG-ZRNGKTOUSA-N 1 3 293.389 -1.567 20 0 CAADHO CC(=O)N1CC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001220598761 780369587 /nfs/dbraw/zinc/36/95/87/780369587.db2.gz BYEGDTRBZYOUGT-NSHDSACASA-N 1 3 254.334 -1.340 20 0 CAADHO C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220723472 780375628 /nfs/dbraw/zinc/37/56/28/780375628.db2.gz AHYLELWDMDHHST-MNOVXSKESA-N 1 3 290.433 -1.158 20 0 CAADHO C[C@@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220725434 780375998 /nfs/dbraw/zinc/37/59/98/780375998.db2.gz RLVRFFZLGOJVCH-VXGBXAGGSA-N 1 3 282.388 -1.368 20 0 CAADHO C[C@H]1COCCN1CCNC(=O)[C@H](N)CCC[NH3+] ZINC001220725630 780376029 /nfs/dbraw/zinc/37/60/29/780376029.db2.gz VWESYTARIZFCFP-WDEREUQCSA-N 1 3 258.366 -1.111 20 0 CAADHO C[C@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220725433 780376078 /nfs/dbraw/zinc/37/60/78/780376078.db2.gz RLVRFFZLGOJVCH-RYUDHWBXSA-N 1 3 282.388 -1.368 20 0 CAADHO C[C@@H]1COCCN1CCNC(=O)[C@H](N)CCC[NH3+] ZINC001220725627 780376778 /nfs/dbraw/zinc/37/67/78/780376778.db2.gz VWESYTARIZFCFP-GHMZBOCLSA-N 1 3 258.366 -1.111 20 0 CAADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220756814 780377878 /nfs/dbraw/zinc/37/78/78/780377878.db2.gz KTYVHLTYLGXDEF-WPRPVWTQSA-N 1 3 276.406 -1.106 20 0 CAADHO CC(=O)NC[C@H](C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220756942 780379146 /nfs/dbraw/zinc/37/91/46/780379146.db2.gz OQARQHCSVWMYHU-GXSJLCMTSA-N 1 3 268.361 -1.316 20 0 CAADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220768757 780380063 /nfs/dbraw/zinc/38/00/63/780380063.db2.gz ANZGZRDNECTVIG-GHMZBOCLSA-N 1 3 297.359 -1.313 20 0 CAADHO CCOC(=O)C1=C(NC(=O)CN(C)C(N)=[NH2+])CNC1 ZINC001220827644 780383924 /nfs/dbraw/zinc/38/39/24/780383924.db2.gz WJBJWLMYXUHABU-UHFFFAOYSA-N 1 3 269.305 -1.652 20 0 CAADHO CSCC[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(N)=O ZINC001220840593 780384739 /nfs/dbraw/zinc/38/47/39/780384739.db2.gz QKODGKVQSCVUAB-YUMQZZPRSA-N 1 3 262.379 -1.224 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@H](CN)OC)C[NH2+]C1 ZINC001220829933 780384889 /nfs/dbraw/zinc/38/48/89/780384889.db2.gz GKUYPXZJICBQRA-VIFPVBQESA-N 1 3 257.290 -1.503 20 0 CAADHO CCOC(=O)C1=C(NC(=O)[C@@](C)(N)CO)C[NH2+]C1 ZINC001220827675 780385039 /nfs/dbraw/zinc/38/50/39/780385039.db2.gz XLCHOWWXYQWLBH-NSHDSACASA-N 1 3 257.290 -1.767 20 0 CAADHO CSCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(N)=O ZINC001220840907 780385449 /nfs/dbraw/zinc/38/54/49/780385449.db2.gz ZACASGFGRPYKMQ-IUCAKERBSA-N 1 3 286.401 -1.481 20 0 CAADHO CCOC(=O)C1(NC(=O)[C@@H](N)CSCC[NH3+])CNC1 ZINC001220851073 780385838 /nfs/dbraw/zinc/38/58/38/780385838.db2.gz GLIRQBBTYREZLZ-QMMMGPOBSA-N 1 3 290.389 -1.973 20 0 CAADHO O=C(NCCN1CCNCC1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220872248 780390277 /nfs/dbraw/zinc/39/02/77/780390277.db2.gz QJVXDPVHDGYMAW-JTQLQIEISA-N 1 3 281.360 -2.657 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220881083 780393299 /nfs/dbraw/zinc/39/32/99/780393299.db2.gz CAEOEBBKILJMDQ-OPRDCNLKSA-N 1 3 267.329 -1.279 20 0 CAADHO [NH3+]CCN(CCNC(=O)[C@@H]1C[C@@H](F)CCN1)N(O)N=O ZINC001220901024 780394222 /nfs/dbraw/zinc/39/42/22/780394222.db2.gz RYSXQIGWHHLMFU-IUCAKERBSA-N 1 3 292.315 -1.259 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CCC[NH2+]C1)C(N)=O ZINC001220889443 780394872 /nfs/dbraw/zinc/39/48/72/780394872.db2.gz KXUKMZLTIOZGPG-LPEHRKFASA-N 1 3 299.375 -2.048 20 0 CAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001220889438 780394901 /nfs/dbraw/zinc/39/49/01/780394901.db2.gz KXUKMZLTIOZGPG-IVZWLZJFSA-N 1 3 299.375 -2.048 20 0 CAADHO N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001220951031 780395402 /nfs/dbraw/zinc/39/54/02/780395402.db2.gz NXAJFQUDDDXKJN-VIFPVBQESA-N 1 3 261.289 -1.245 20 0 CAADHO N[C@H]1CCCCN(CC(=O)NCCO[C@@H]2CC[NH2+]C2)C1=O ZINC001220937377 780396007 /nfs/dbraw/zinc/39/60/07/780396007.db2.gz QGDZFYXRQZFWSY-NEPJUHHUSA-N 1 3 298.387 -1.179 20 0 CAADHO NC(=O)NCCC[C@@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937479 780398774 /nfs/dbraw/zinc/39/87/74/780398774.db2.gz SNONKEHNDZHIBY-NXEZZACHSA-N 1 3 287.364 -1.743 20 0 CAADHO COC(=O)CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(N)=O ZINC001221018349 780402102 /nfs/dbraw/zinc/40/21/02/780402102.db2.gz AQVDWPCEZGPHEI-YUMQZZPRSA-N 1 3 274.321 -2.024 20 0 CAADHO CN1CCC[C@@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240827 780407215 /nfs/dbraw/zinc/40/72/15/780407215.db2.gz DKEPLOZLWJQYFZ-WCQYABFASA-N 1 3 282.388 -1.083 20 0 CAADHO CN1CCC[C@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240825 780407394 /nfs/dbraw/zinc/40/73/94/780407394.db2.gz DKEPLOZLWJQYFZ-AAEUAGOBSA-N 1 3 282.388 -1.083 20 0 CAADHO N[C@@H](C(=O)NC1CN(C2COC2)C1)C1CC[NH2+]CC1 ZINC001221246084 780408802 /nfs/dbraw/zinc/40/88/02/780408802.db2.gz OUXXLDDGDCGHQC-GFCCVEGCSA-N 1 3 268.361 -1.488 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266112 780411109 /nfs/dbraw/zinc/41/11/09/780411109.db2.gz SJSMAHGCUJRQSF-FIQHERPVSA-N 1 3 299.423 -2.435 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266114 780411506 /nfs/dbraw/zinc/41/15/06/780411506.db2.gz SJSMAHGCUJRQSF-WHOHXGKFSA-N 1 3 299.423 -2.435 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266113 780411524 /nfs/dbraw/zinc/41/15/24/780411524.db2.gz SJSMAHGCUJRQSF-USZNOCQGSA-N 1 3 299.423 -2.435 20 0 CAADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266108 780411958 /nfs/dbraw/zinc/41/19/58/780411958.db2.gz SJSMAHGCUJRQSF-BJDJZHNGSA-N 1 3 299.423 -2.435 20 0 CAADHO N[C@@H](CCC[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221336060 780415536 /nfs/dbraw/zinc/41/55/36/780415536.db2.gz IZOJNCSBNMEHFC-VIFPVBQESA-N 1 3 278.378 -1.796 20 0 CAADHO N[C@@H](CCCC[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221338099 780415988 /nfs/dbraw/zinc/41/59/88/780415988.db2.gz XRXFQWZYWJBNQX-JTQLQIEISA-N 1 3 292.405 -1.406 20 0 CAADHO [NH3+]CCCCNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221345491 780416224 /nfs/dbraw/zinc/41/62/24/780416224.db2.gz ZQQXDSBSNFTNRJ-VIFPVBQESA-N 1 3 275.374 -1.382 20 0 CAADHO O=C(NC[C@H]1CNC(=O)O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221368110 780417305 /nfs/dbraw/zinc/41/73/05/780417305.db2.gz CZXFPBDVMLIQFB-YUMQZZPRSA-N 1 3 254.290 -1.980 20 0 CAADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367240 780417353 /nfs/dbraw/zinc/41/73/53/780417353.db2.gz OINXUEICACZBRF-HZHIYPOLSA-N 1 3 265.354 -1.102 20 0 CAADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1COC2(CNC2)CN1 ZINC001221367300 780417367 /nfs/dbraw/zinc/41/73/67/780417367.db2.gz PMFGHTFPZUCHIE-BBBLOLIVSA-N 1 3 272.324 -1.867 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221368109 780417406 /nfs/dbraw/zinc/41/74/06/780417406.db2.gz CZXFPBDVMLIQFB-SFYZADRCSA-N 1 3 254.290 -1.980 20 0 CAADHO O=C(NC[C@@H]1CNC(=O)O1)[C@H]1C[NH2+]CC12CNC2 ZINC001221368107 780417424 /nfs/dbraw/zinc/41/74/24/780417424.db2.gz CZXFPBDVMLIQFB-HTQZYQBOSA-N 1 3 254.290 -1.980 20 0 CAADHO CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221367700 780417448 /nfs/dbraw/zinc/41/74/48/780417448.db2.gz AJVKZMCBVYKTHP-IUCAKERBSA-N 1 3 266.345 -1.564 20 0 CAADHO O=C(NC[C@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221368909 780417562 /nfs/dbraw/zinc/41/75/62/780417562.db2.gz INOCCZWRVQCSET-VDDIYKPWSA-N 1 3 268.317 -1.590 20 0 CAADHO N[C@H](C(=O)NC[C@@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370787 780418655 /nfs/dbraw/zinc/41/86/55/780418655.db2.gz UIVVVIVEOASPGY-BDAKNGLRSA-N 1 3 256.306 -1.462 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221402695 780420073 /nfs/dbraw/zinc/42/00/73/780420073.db2.gz KLPCCATUPFEDGN-NXEZZACHSA-N 1 3 257.334 -1.860 20 0 CAADHO CN1CCC(CO)(NC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001221402603 780420265 /nfs/dbraw/zinc/42/02/65/780420265.db2.gz JMVXEFTVIMHCCZ-UHFFFAOYSA-N 1 3 270.377 -1.360 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221402696 780420401 /nfs/dbraw/zinc/42/04/01/780420401.db2.gz KLPCCATUPFEDGN-UWVGGRQHSA-N 1 3 257.334 -1.860 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221402374 780420621 /nfs/dbraw/zinc/42/06/21/780420621.db2.gz FHNPCBPSKXAJAJ-FZMZJTMJSA-N 1 3 282.388 -1.489 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221402375 780420661 /nfs/dbraw/zinc/42/06/61/780420661.db2.gz FHNPCBPSKXAJAJ-RISCZKNCSA-N 1 3 282.388 -1.489 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221402373 780420710 /nfs/dbraw/zinc/42/07/10/780420710.db2.gz FHNPCBPSKXAJAJ-BXUZGUMPSA-N 1 3 282.388 -1.489 20 0 CAADHO Cn1cncc1C[C@H](N)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403094 780420777 /nfs/dbraw/zinc/42/07/77/780420777.db2.gz PRHCRQCOIJULOM-LBPRGKRZSA-N 1 3 295.387 -1.137 20 0 CAADHO CN1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221402376 780420865 /nfs/dbraw/zinc/42/08/65/780420865.db2.gz FHNPCBPSKXAJAJ-SMDDNHRTSA-N 1 3 282.388 -1.489 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)[N-][C@@H]1C[NH2+]C[C@H]1O ZINC001238124522 780514786 /nfs/dbraw/zinc/51/47/86/780514786.db2.gz WRBPSVKQODZAHS-NXEZZACHSA-N 1 3 263.363 -1.762 20 0 CAADHO NCCS(=O)(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001238328684 780516931 /nfs/dbraw/zinc/51/69/31/780516931.db2.gz TUDDUMBIVKODEL-GHMZBOCLSA-N 1 3 293.389 -1.740 20 0 CAADHO COC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238355274 780517141 /nfs/dbraw/zinc/51/71/41/780517141.db2.gz FHDFNWRKKUCEHU-UWVGGRQHSA-N 1 3 293.389 -1.062 20 0 CAADHO NCCS(=O)(=O)NCCOCCOCCOCC[NH3+] ZINC001238615641 780520643 /nfs/dbraw/zinc/52/06/43/780520643.db2.gz XVIPNMVJLYRFTH-UHFFFAOYSA-N 1 3 299.393 -2.127 20 0 CAADHO O=S(=O)(CC1CC[NH2+]CC1)NCCNCCO ZINC001238818525 780523377 /nfs/dbraw/zinc/52/33/77/780523377.db2.gz LAVIEXAJYOXUHY-UHFFFAOYSA-N 1 3 265.379 -1.513 20 0 CAADHO CCOC(=O)CC1(NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238719798 780523205 /nfs/dbraw/zinc/52/32/05/780523205.db2.gz WYBLHEDXUCRBNU-UHFFFAOYSA-N 1 3 293.389 -1.060 20 0 CAADHO NCCS(=O)(=O)NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001238811519 780523241 /nfs/dbraw/zinc/52/32/41/780523241.db2.gz IRRWCKUUTYPEQS-LLVKDONJSA-N 1 3 276.406 -1.309 20 0 CAADHO NCCS(=O)(=O)NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001238811522 780523345 /nfs/dbraw/zinc/52/33/45/780523345.db2.gz IRRWCKUUTYPEQS-NSHDSACASA-N 1 3 276.406 -1.309 20 0 CAADHO NCCS(=O)(=O)N[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238812872 780523549 /nfs/dbraw/zinc/52/35/49/780523549.db2.gz QQWOKLYVCNMAHP-JTQLQIEISA-N 1 3 276.406 -1.309 20 0 CAADHO NCCS(=O)(=O)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001239027161 780528546 /nfs/dbraw/zinc/52/85/46/780528546.db2.gz RAWUKAUBCZCRLK-NSHDSACASA-N 1 3 277.390 -1.023 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CCN ZINC001239120595 780531963 /nfs/dbraw/zinc/53/19/63/780531963.db2.gz FJUUJJDEXFGXAB-BQBZGAKWSA-N 1 3 251.308 -2.151 20 0 CAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CCN)CC2 ZINC001239171978 780534228 /nfs/dbraw/zinc/53/42/28/780534228.db2.gz DRYAMPSLERFBTQ-MWLCHTKSSA-N 1 3 291.373 -1.498 20 0 CAADHO N[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1F ZINC001246014584 780539545 /nfs/dbraw/zinc/53/95/45/780539545.db2.gz PJCOCQCVOYQXIV-MXWKQRLJSA-N 1 3 261.341 -1.167 20 0 CAADHO O[C@@H](CNC1CN(C2CC[NH2+]CC2)C1)CN1CCOCC1 ZINC001245987125 780540044 /nfs/dbraw/zinc/54/00/44/780540044.db2.gz CFUBSXYSEPVIKX-HNNXBMFYSA-N 1 3 298.431 -1.295 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)CN1 ZINC001246119512 780544042 /nfs/dbraw/zinc/54/40/42/780544042.db2.gz FXJZBGDZXWVUHX-MNOVXSKESA-N 1 3 256.350 -1.615 20 0 CAADHO O=C1C[C@@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)N3)N1 ZINC001246144309 780545908 /nfs/dbraw/zinc/54/59/08/780545908.db2.gz KDWYZCDJEYUWJI-HIFSBERMSA-N 1 3 266.345 -1.327 20 0 CAADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2O)CN1 ZINC001246218156 780549103 /nfs/dbraw/zinc/54/91/03/780549103.db2.gz MXRXECUWBFQVOE-VLEAKVRGSA-N 1 3 257.334 -1.408 20 0 CAADHO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCNC2)CC1 ZINC001246256961 780550051 /nfs/dbraw/zinc/55/00/51/780550051.db2.gz SMWPLYUQKNYHIR-LBPRGKRZSA-N 1 3 290.433 -1.095 20 0 CAADHO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCNC2)CC1 ZINC001246256959 780550212 /nfs/dbraw/zinc/55/02/12/780550212.db2.gz SMWPLYUQKNYHIR-GFCCVEGCSA-N 1 3 290.433 -1.095 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC[C@@H]2O)CN1 ZINC001246310172 780550850 /nfs/dbraw/zinc/55/08/50/780550850.db2.gz MXRXECUWBFQVOE-RCWTZXSCSA-N 1 3 257.334 -1.408 20 0 CAADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246402886 780553095 /nfs/dbraw/zinc/55/30/95/780553095.db2.gz BVDSXYHPZYLOEL-VWYCJHECSA-N 1 3 286.376 -1.148 20 0 CAADHO COC(=O)[C@@H]1C[C@@H](NCCO[C@H]2CC[NH2+]C2)CN1 ZINC001246372191 780553297 /nfs/dbraw/zinc/55/32/97/780553297.db2.gz YKLHFJYABYQIRJ-VWYCJHECSA-N 1 3 257.334 -1.142 20 0 CAADHO CC[C@@]1(C(=O)OC)C[C@@H](NCCNCC[NH3+])CN1 ZINC001246405406 780553665 /nfs/dbraw/zinc/55/36/65/780553665.db2.gz OMDAYNXMOMKPNN-PWSUYJOCSA-N 1 3 258.366 -1.192 20 0 CAADHO COC(=O)[C@@H]1C[C@H](NCCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246372186 780554251 /nfs/dbraw/zinc/55/42/51/780554251.db2.gz YKLHFJYABYQIRJ-AXFHLTTASA-N 1 3 257.334 -1.142 20 0 CAADHO CN(CC(=O)N1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522401 780556601 /nfs/dbraw/zinc/55/66/01/780556601.db2.gz COPVHGTZITYUMR-LBPRGKRZSA-N 1 3 282.388 -1.129 20 0 CAADHO NC(=O)[C@@H](N)Cc1cn([C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246527881 780556987 /nfs/dbraw/zinc/55/69/87/780556987.db2.gz ZJQYTQCGMBJHKP-MNOVXSKESA-N 1 3 278.360 -1.495 20 0 CAADHO COC(=O)[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691846 780562000 /nfs/dbraw/zinc/56/20/00/780562000.db2.gz GAQKNQRZLHSSRD-QWRGUYRKSA-N 1 3 268.361 -1.473 20 0 CAADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246856899 780563145 /nfs/dbraw/zinc/56/31/45/780563145.db2.gz IAMAMTBFBCUHRM-MNOVXSKESA-N 1 3 269.345 -1.046 20 0 CAADHO COC(=O)[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867617 780564179 /nfs/dbraw/zinc/56/41/79/780564179.db2.gz JLZUHWXIEFHZPH-NWDGAFQWSA-N 1 3 282.388 -1.131 20 0 CAADHO COC(=O)[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867621 780564899 /nfs/dbraw/zinc/56/48/99/780564899.db2.gz JLZUHWXIEFHZPH-VXGBXAGGSA-N 1 3 282.388 -1.131 20 0 CAADHO O=C1COC[C@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872344 780564906 /nfs/dbraw/zinc/56/49/06/780564906.db2.gz ROUCLEUGWFLHAW-VXGBXAGGSA-N 1 3 280.372 -1.377 20 0 CAADHO CCN(CC)C[C@H](O)C[NH2+]C[C@@H]1CNC(=O)CO1 ZINC001253208750 780591635 /nfs/dbraw/zinc/59/16/35/780591635.db2.gz SUAVBRXDOHVJAW-GHMZBOCLSA-N 1 3 259.350 -1.206 20 0 CAADHO CCOC(=O)CN1CCC(NC[C@@H](O)C[NH3+])CC1 ZINC001254390503 780604173 /nfs/dbraw/zinc/60/41/73/780604173.db2.gz KULIVXZTBKUAGQ-NSHDSACASA-N 1 3 259.350 -1.077 20 0 CAADHO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001261483061 780666545 /nfs/dbraw/zinc/66/65/45/780666545.db2.gz HDNIXTAYDUNXNC-STQMWFEESA-N 1 3 274.409 -1.893 20 0 CAADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)n1 ZINC001261644457 780675847 /nfs/dbraw/zinc/67/58/47/780675847.db2.gz BZSXKJXQJSSYCF-KNVOCYPGSA-N 1 3 251.290 -1.006 20 0 CAADHO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC001263163419 780722346 /nfs/dbraw/zinc/72/23/46/780722346.db2.gz OYRHSAJJRSXUFF-GFCCVEGCSA-N 1 3 269.345 -1.308 20 0 CAADHO COCCOC[C@@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000702571162 780769043 /nfs/dbraw/zinc/76/90/43/780769043.db2.gz WMALMCRVIPMZCO-RYUDHWBXSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571162 780769047 /nfs/dbraw/zinc/76/90/47/780769047.db2.gz WMALMCRVIPMZCO-RYUDHWBXSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@@H](O)CNC[C@]1(O)CC[N@H+](C)C1 ZINC000702571160 780769346 /nfs/dbraw/zinc/76/93/46/780769346.db2.gz WMALMCRVIPMZCO-NWDGAFQWSA-N 1 3 262.350 -1.334 20 0 CAADHO COCCOC[C@@H](O)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000702571160 780769348 /nfs/dbraw/zinc/76/93/48/780769348.db2.gz WMALMCRVIPMZCO-NWDGAFQWSA-N 1 3 262.350 -1.334 20 0 CAADHO C[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135959078 781390403 /nfs/dbraw/zinc/39/04/03/781390403.db2.gz KBRXRSQZMVNULJ-SNVBAGLBSA-N 1 3 286.376 -1.323 20 0 CAADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246420178 781435181 /nfs/dbraw/zinc/43/51/81/781435181.db2.gz XCWDMMPWVYZKDT-UTLUCORTSA-N 1 3 272.349 -1.538 20 0 CAADHO COC(=O)[C@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246420175 781435373 /nfs/dbraw/zinc/43/53/73/781435373.db2.gz XCWDMMPWVYZKDT-KXUCPTDWSA-N 1 3 272.349 -1.538 20 0 CAADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246420170 781435637 /nfs/dbraw/zinc/43/56/37/781435637.db2.gz XCWDMMPWVYZKDT-GUBZILKMSA-N 1 3 272.349 -1.538 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160456117 781440293 /nfs/dbraw/zinc/44/02/93/781440293.db2.gz CATQSSNTVXVDLG-ZWNOBZJWSA-N 1 3 281.360 -1.592 20 0 CAADHO NC(=O)N1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160456519 781441083 /nfs/dbraw/zinc/44/10/83/781441083.db2.gz LMRVIVYPXCSDAH-SNVBAGLBSA-N 1 3 269.349 -1.464 20 0 CAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643870 781457918 /nfs/dbraw/zinc/45/79/18/781457918.db2.gz OWFYWMAPUPPGLH-VHSXEESVSA-N 1 3 253.306 -1.534 20 0 CAADHO C[C@H](CC(=O)N1CCOCC1)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246577650 781460406 /nfs/dbraw/zinc/46/04/06/781460406.db2.gz CDAITZMYSNKUFD-WOPDTQHZSA-N 1 3 271.361 -1.125 20 0 CAADHO COC(=O)[C@H]1CNCCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626766 781476453 /nfs/dbraw/zinc/47/64/53/781476453.db2.gz UYFVMMFZPMPETP-WDEREUQCSA-N 1 3 268.361 -1.473 20 0 CAADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626747 781477387 /nfs/dbraw/zinc/47/73/87/781477387.db2.gz UYFVMMFZPMPETP-MNOVXSKESA-N 1 3 268.361 -1.473 20 0 CAADHO COC(=O)CN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246804141 781481753 /nfs/dbraw/zinc/48/17/53/781481753.db2.gz 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781523087 /nfs/dbraw/zinc/52/30/87/781523087.db2.gz DYEISQNQBQCZFJ-UHFFFAOYSA-N 1 3 286.376 -1.451 20 0 CAADHO CCN(C)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842272 781523194 /nfs/dbraw/zinc/52/31/94/781523194.db2.gz PCTWJYHTQJZWRJ-UHFFFAOYSA-N 1 3 288.392 -1.251 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885986 781523620 /nfs/dbraw/zinc/52/36/20/781523620.db2.gz RCCRNSDGGUOXRA-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885986 781523625 /nfs/dbraw/zinc/52/36/25/781523625.db2.gz RCCRNSDGGUOXRA-NXEZZACHSA-N 1 3 256.350 -1.092 20 0 CAADHO CNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891943 781523970 /nfs/dbraw/zinc/52/39/70/781523970.db2.gz FUZDFMVBINUCFA-JTQLQIEISA-N 1 3 274.365 -1.595 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899932 781524250 /nfs/dbraw/zinc/52/42/50/781524250.db2.gz CUDSEOBUGXMJNI-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899932 781524253 /nfs/dbraw/zinc/52/42/53/781524253.db2.gz CUDSEOBUGXMJNI-ZJUUUORDSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899931 781524756 /nfs/dbraw/zinc/52/47/56/781524756.db2.gz CUDSEOBUGXMJNI-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899931 781524761 /nfs/dbraw/zinc/52/47/61/781524761.db2.gz CUDSEOBUGXMJNI-VHSXEESVSA-N 1 3 299.375 -1.383 20 0 CAADHO CNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970294 781525417 /nfs/dbraw/zinc/52/54/17/781525417.db2.gz GJCAFGFTBMBJOA-UHFFFAOYSA-N 1 3 254.334 -1.466 20 0 CAADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001148000450 781526631 /nfs/dbraw/zinc/52/66/31/781526631.db2.gz PUAPIEKDGGFLBT-SECBINFHSA-N 1 3 297.359 -1.629 20 0 CAADHO O=C(NCCN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001147976898 781527096 /nfs/dbraw/zinc/52/70/96/781527096.db2.gz 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