smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNC(=S)NCCC[NH2+]CCCN ZINC001239396754 770216089 /nfs/dbraw/zinc/21/60/89/770216089.db2.gz NBYHTYYQYOJQKF-UHFFFAOYSA-N 2 3 303.520 0.511 20 0 DCADHP [NH3+][C@H](C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158337062 771761212 /nfs/dbraw/zinc/76/12/12/771761212.db2.gz PVDBNJGCFUZKIQ-BBWFWOEESA-N 2 3 314.433 0.411 20 0 DCADHP N[C@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC001161208194 772184994 /nfs/dbraw/zinc/18/49/94/772184994.db2.gz KUBFHZWEZPYBEU-INIZCTEOSA-N 2 3 308.470 0.552 20 0 DCADHP CN(C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219836 772185510 /nfs/dbraw/zinc/18/55/10/772185510.db2.gz UISRTSZHUVGRQL-ARLBYUKCSA-N 2 3 306.454 0.127 20 0 DCADHP CN(C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219836 772185512 /nfs/dbraw/zinc/18/55/12/772185512.db2.gz UISRTSZHUVGRQL-ARLBYUKCSA-N 2 3 306.454 0.127 20 0 DCADHP CN(C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219836 772185514 /nfs/dbraw/zinc/18/55/14/772185514.db2.gz UISRTSZHUVGRQL-ARLBYUKCSA-N 2 3 306.454 0.127 20 0 DCADHP CC(C)(C)CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC[NH2+]CC1 ZINC001161258863 772192740 /nfs/dbraw/zinc/19/27/40/772192740.db2.gz PEWOZCZKBMMFPR-RDTXWAMCSA-N 2 3 322.497 0.812 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219536882 774528132 /nfs/dbraw/zinc/52/81/32/774528132.db2.gz GETPESVIHOLSMO-COPLHBTASA-N 2 3 304.394 0.529 20 0 DCADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220679020 774886158 /nfs/dbraw/zinc/88/61/58/774886158.db2.gz REXNYLZYYBPKNX-CBBWQLFWSA-N 2 3 306.454 0.650 20 0 DCADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220679020 774886165 /nfs/dbraw/zinc/88/61/65/774886165.db2.gz REXNYLZYYBPKNX-CBBWQLFWSA-N 2 3 306.454 0.650 20 0 DCADHP [NH3+][C@H](C(=O)NCCc1c[nH]c2ccncc12)C1CC[NH2+]CC1 ZINC001220865731 774939048 /nfs/dbraw/zinc/93/90/48/774939048.db2.gz JBISQKGIJPMAIC-HNNXBMFYSA-N 2 3 301.394 0.549 20 0 DCADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221248097 775043357 /nfs/dbraw/zinc/04/33/57/775043357.db2.gz JKNPMOBJSVYOHV-DJIMGWMZSA-N 2 3 306.454 0.224 20 0 DCADHP [NH3+][C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC[NH2+]CC1 ZINC001221399140 775086647 /nfs/dbraw/zinc/08/66/47/775086647.db2.gz MJIPYNVEOCHUQX-HOTGVXAUSA-N 2 3 302.422 0.144 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976595 945303679 /nfs/dbraw/zinc/30/36/79/945303679.db2.gz DXIHLFZSSHHJNW-MWDXBVQZSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976595 945303687 /nfs/dbraw/zinc/30/36/87/945303687.db2.gz DXIHLFZSSHHJNW-MWDXBVQZSA-N 2 3 305.422 0.028 20 0 DCADHP O[C@]1(C[NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCCNC1 ZINC001246004794 945311360 /nfs/dbraw/zinc/31/13/60/945311360.db2.gz HZLYRYRYYBYESC-GOSISDBHSA-N 2 3 318.465 0.698 20 0 DCADHP C[NH+](C)CCN1CC[C@]2(CCCN2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001273145046 945326181 /nfs/dbraw/zinc/32/61/81/945326181.db2.gz UMXLKPXAHONKFO-FUHWJXTLSA-N 2 3 322.497 0.957 20 0 DCADHP C[NH+](C)CCN1CC[C@]2(CCCN2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001273145046 945326189 /nfs/dbraw/zinc/32/61/89/945326189.db2.gz UMXLKPXAHONKFO-FUHWJXTLSA-N 2 3 322.497 0.957 20 0 DCADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246338873 945387986 /nfs/dbraw/zinc/38/79/86/945387986.db2.gz GZNANDQIZBGFTO-PMPSAXMXSA-N 2 3 301.438 0.416 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]1CNCCC2 ZINC001246595383 945438787 /nfs/dbraw/zinc/43/87/87/945438787.db2.gz MPSLRKAZEBSTDK-WXQHOCMDSA-N 2 3 321.465 0.849 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]1CNCCC2 ZINC001246595383 945438793 /nfs/dbraw/zinc/43/87/93/945438793.db2.gz MPSLRKAZEBSTDK-WXQHOCMDSA-N 2 3 321.465 0.849 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675979 945458545 /nfs/dbraw/zinc/45/85/45/945458545.db2.gz BRQZFVSXWYHGQB-AESZEHBQSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675979 945458551 /nfs/dbraw/zinc/45/85/51/945458551.db2.gz BRQZFVSXWYHGQB-AESZEHBQSA-N 2 3 309.454 0.992 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000574385298 291691169 /nfs/dbraw/zinc/69/11/69/291691169.db2.gz WJMKQEZMMOISQM-HUUCEWRRSA-N 2 3 313.490 0.639 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)CC1 ZINC000444162571 416810473 /nfs/dbraw/zinc/81/04/73/416810473.db2.gz SUMOBGDSQSEAPW-WMZOPIPTSA-N 2 3 320.481 0.661 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575749232 417545316 /nfs/dbraw/zinc/54/53/16/417545316.db2.gz NRISYCGEDCENEY-PMPSAXMXSA-N 2 3 308.470 0.505 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575749232 417545322 /nfs/dbraw/zinc/54/53/22/417545322.db2.gz NRISYCGEDCENEY-PMPSAXMXSA-N 2 3 308.470 0.505 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[NH2+]C ZINC000659649783 418136811 /nfs/dbraw/zinc/13/68/11/418136811.db2.gz ZJIHQOQEPGTZGM-HUUCEWRRSA-N 2 3 313.490 0.652 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[NH2+]C ZINC000659649783 418136812 /nfs/dbraw/zinc/13/68/12/418136812.db2.gz ZJIHQOQEPGTZGM-HUUCEWRRSA-N 2 3 313.490 0.652 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563946142 288716920 /nfs/dbraw/zinc/71/69/20/288716920.db2.gz FXCQVADGJYUWRJ-HNNXBMFYSA-N 2 3 313.490 0.511 20 0 DCADHP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891462463 658880193 /nfs/dbraw/zinc/88/01/93/658880193.db2.gz RGIOLWDJQQEPLW-ZIAGYGMSSA-N 2 3 323.485 0.676 20 0 DCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923498449 667549662 /nfs/dbraw/zinc/54/96/62/667549662.db2.gz HZXHIZXBMJDCCQ-HUUCEWRRSA-N 2 3 310.486 0.892 20 0 DCADHP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873218235 668066686 /nfs/dbraw/zinc/06/66/86/668066686.db2.gz ZXYMTOSPTGVIQL-MRXNPFEDSA-N 2 3 322.497 0.992 20 0 DCADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])c2)nn1 ZINC000873242392 668068055 /nfs/dbraw/zinc/06/80/55/668068055.db2.gz BDMGTPJSRUONSD-CJNGLKHVSA-N 2 3 300.410 0.943 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001646565402 1172425933 /nfs/dbraw/zinc/42/59/33/1172425933.db2.gz MKTWYZCGKWZPKM-UHFFFAOYSA-N 2 3 309.458 0.336 20 0 DCADHP C[NH+](C)CCN(Cc1nc2c(s1)CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001236931805 770023988 /nfs/dbraw/zinc/02/39/88/770023988.db2.gz JBGNVHCEZDRQAY-CYBMUJFWSA-N 2 3 323.510 0.904 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]2CF)CC1 ZINC001158568422 771790811 /nfs/dbraw/zinc/79/08/11/771790811.db2.gz PHDKMDLQJJMREO-BFHYXJOUSA-N 2 3 324.444 0.396 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]2CF)CC1 ZINC001158568422 771790814 /nfs/dbraw/zinc/79/08/14/771790814.db2.gz PHDKMDLQJJMREO-BFHYXJOUSA-N 2 3 324.444 0.396 20 0 DCADHP C[NH+](C)CCN(C(=O)c1ccc(CN)nc1)[C@@H]1CCC[NH2+]C1 ZINC001161449543 772225499 /nfs/dbraw/zinc/22/54/99/772225499.db2.gz NSAPXLAVSYMWMK-OAHLLOKOSA-N 2 3 305.426 0.296 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288010 774436655 /nfs/dbraw/zinc/43/66/55/774436655.db2.gz GZXSTJGZQVWEGD-ZDUSSCGKSA-N 2 3 323.416 0.758 20 0 DCADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)(C1)CCC2 ZINC001220777256 774912286 /nfs/dbraw/zinc/91/22/86/774912286.db2.gz KKXMETOMIHXHEG-JLJPHGGASA-N 2 3 306.454 0.781 20 0 DCADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)(C1)CCC2 ZINC001220777256 774912289 /nfs/dbraw/zinc/91/22/89/774912289.db2.gz KKXMETOMIHXHEG-JLJPHGGASA-N 2 3 306.454 0.781 20 0 DCADHP COc1cccc(C2(NC(=O)[C@@H](N)CCC[NH3+])CC[NH2+]CC2)c1 ZINC001221094048 774993921 /nfs/dbraw/zinc/99/39/21/774993921.db2.gz FJMQPGRPXLJVQC-HNNXBMFYSA-N 2 3 320.437 0.456 20 0 DCADHP O=C1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001246622910 945445064 /nfs/dbraw/zinc/44/50/64/945445064.db2.gz AFUUFRYFHRYTPB-CQSZACIVSA-N 2 3 306.454 0.463 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632178 945445631 /nfs/dbraw/zinc/44/56/31/945445631.db2.gz ZYPQJPXQXSOWHT-LESCRADOSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632178 945445639 /nfs/dbraw/zinc/44/56/39/945445639.db2.gz ZYPQJPXQXSOWHT-LESCRADOSA-N 2 3 318.465 0.320 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230703 397537424 /nfs/dbraw/zinc/53/74/24/397537424.db2.gz SWZCTKQVIBHZTF-PMPSAXMXSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230703 397537427 /nfs/dbraw/zinc/53/74/27/397537427.db2.gz SWZCTKQVIBHZTF-PMPSAXMXSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230703 397537431 /nfs/dbraw/zinc/53/74/31/397537431.db2.gz SWZCTKQVIBHZTF-PMPSAXMXSA-N 2 3 308.470 0.566 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420307771 287288701 /nfs/dbraw/zinc/28/87/01/287288701.db2.gz MMVRFMPXWCOTDD-JCECYMMASA-N 2 3 303.450 0.977 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420307771 287288703 /nfs/dbraw/zinc/28/87/03/287288703.db2.gz MMVRFMPXWCOTDD-JCECYMMASA-N 2 3 303.450 0.977 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CNCCO1 ZINC000336855928 415837806 /nfs/dbraw/zinc/83/78/06/415837806.db2.gz ZXKDLTCZNYZNQB-HNNXBMFYSA-N 2 3 314.474 0.097 20 0 DCADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423199543 416475692 /nfs/dbraw/zinc/47/56/92/416475692.db2.gz BWBYDKCGURMTMX-WMZOPIPTSA-N 2 3 316.449 0.737 20 0 DCADHP [NH3+]CC[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000443077443 416730876 /nfs/dbraw/zinc/73/08/76/416730876.db2.gz UUINDSNHNUYZAG-CQSZACIVSA-N 2 3 308.470 0.790 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000565950638 417035766 /nfs/dbraw/zinc/03/57/66/417035766.db2.gz GUMXVQIILAYXEH-GOEBONIOSA-N 2 3 308.470 0.648 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576450598 417608443 /nfs/dbraw/zinc/60/84/43/417608443.db2.gz HZEXHOIVCUKWHC-MRXNPFEDSA-N 2 3 313.490 0.511 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000891460311 658879797 /nfs/dbraw/zinc/87/97/97/658879797.db2.gz GROXCUJHZPLGNL-HOCLYGCPSA-N 2 3 321.469 0.301 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903959778 663497713 /nfs/dbraw/zinc/49/77/13/663497713.db2.gz OEBSWCOTLRWPBC-NVXWUHKLSA-N 2 3 308.470 0.649 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903959778 663497714 /nfs/dbraw/zinc/49/77/14/663497714.db2.gz OEBSWCOTLRWPBC-NVXWUHKLSA-N 2 3 308.470 0.649 20 0 DCADHP [NH3+]Cc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000904384021 663512106 /nfs/dbraw/zinc/51/21/06/663512106.db2.gz GKWWBDPVMIQATO-OAGGEKHMSA-N 2 3 316.405 0.512 20 0 DCADHP CC(C)[C@H](C[NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000873212395 668065849 /nfs/dbraw/zinc/06/58/49/668065849.db2.gz LFLBLIDVOMCPCT-YUELXQCFSA-N 2 3 310.442 0.474 20 0 DCADHP NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548050 1172964155 /nfs/dbraw/zinc/96/41/55/1172964155.db2.gz UGAYPZVHWDUTOM-PMPSAXMXSA-N 2 3 320.441 0.142 20 0 DCADHP NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548050 1172964164 /nfs/dbraw/zinc/96/41/64/1172964164.db2.gz UGAYPZVHWDUTOM-PMPSAXMXSA-N 2 3 320.441 0.142 20 0 DCADHP N[C@@H](CCC[NH3+])Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170898496 766249388 /nfs/dbraw/zinc/24/93/88/766249388.db2.gz COUROSDAWLJRNU-ZIAGYGMSSA-N 2 3 303.410 0.273 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070848 771721429 /nfs/dbraw/zinc/72/14/29/771721429.db2.gz ONQFXCNTXAJUIT-AWEZNQCLSA-N 2 3 312.458 0.027 20 0 DCADHP CCN(CC)CCNC(=[NH2+])Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001163122415 772468136 /nfs/dbraw/zinc/46/81/36/772468136.db2.gz JMHSJXMYWZUQNH-UHFFFAOYSA-N 2 3 320.445 0.164 20 0 DCADHP [NH3+]C[C@]1(O)CCCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001205680844 773006409 /nfs/dbraw/zinc/00/64/09/773006409.db2.gz BZZBELSPZHRPPM-GOSISDBHSA-N 2 3 318.465 0.772 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316846 774769177 /nfs/dbraw/zinc/76/91/77/774769177.db2.gz UBCRLNUDIHLONV-DZKIICNBSA-N 2 3 312.458 0.073 20 0 DCADHP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220394304 774793431 /nfs/dbraw/zinc/79/34/31/774793431.db2.gz DNGBKZCPZLBOPO-AWEZNQCLSA-N 2 3 306.454 0.463 20 0 DCADHP N[C@H](C(=O)N1CCC([NH3+])(CC2CCC2)CC1)C1CC[NH2+]CC1 ZINC001220973430 774966031 /nfs/dbraw/zinc/96/60/31/774966031.db2.gz WEVNAAOEEQYHBV-HNNXBMFYSA-N 2 3 308.470 0.823 20 0 DCADHP CC(C)CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188033 775020964 /nfs/dbraw/zinc/02/09/64/775020964.db2.gz MTXIZUBOROSZIA-RBSFLKMASA-N 2 3 308.470 0.550 20 0 DCADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398413 775087060 /nfs/dbraw/zinc/08/70/60/775087060.db2.gz YYZKCHXUDQWDSP-IRXDYDNUSA-N 2 3 318.465 0.876 20 0 DCADHP [NH3+]CCNC(=O)c1cccc(CN2CCC3(C[NH2+]C3)CC2)c1 ZINC001222208522 775301270 /nfs/dbraw/zinc/30/12/70/775301270.db2.gz PCVIHMTVVVCIFO-UHFFFAOYSA-N 2 3 302.422 0.561 20 0 DCADHP CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031088 945208733 /nfs/dbraw/zinc/20/87/33/945208733.db2.gz RDFNSSXRZQVDAB-HZPDHXFCSA-N 2 3 308.470 0.613 20 0 DCADHP CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001273031088 945208740 /nfs/dbraw/zinc/20/87/40/945208740.db2.gz RDFNSSXRZQVDAB-HZPDHXFCSA-N 2 3 308.470 0.613 20 0 DCADHP c1cc(N2CC[NH2+]CC2)cc(N[C@@H](C2CC2)[C@@H]2CNCCO2)[nH+]1 ZINC000635009691 417555859 /nfs/dbraw/zinc/55/58/59/417555859.db2.gz HRNYDQWVHYBQOY-RDJZCZTQSA-N 2 3 317.437 0.670 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000903739964 663478784 /nfs/dbraw/zinc/47/87/84/663478784.db2.gz BSRPNOGIPSKFGL-IXDOHACOSA-N 2 3 322.497 0.956 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849108487 670757894 /nfs/dbraw/zinc/75/78/94/670757894.db2.gz VICLDLRCFWCDFG-OAHLLOKOSA-N 2 3 324.517 0.611 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108487 670757897 /nfs/dbraw/zinc/75/78/97/670757897.db2.gz VICLDLRCFWCDFG-OAHLLOKOSA-N 2 3 324.517 0.611 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@]34CC[C@H]3C[NH2+]C4)CC2)CC1 ZINC001648967905 1158193619 /nfs/dbraw/zinc/19/36/19/1158193619.db2.gz AJJWJXDNORALLF-KSSFIOAISA-N 2 3 320.481 0.661 20 0 DCADHP C[NH+](C)CCN(C(=O)[C@@H]1CNC[C@H](F)C1)[C@H]1CCC[NH2+]C1 ZINC001161446346 747883755 /nfs/dbraw/zinc/88/37/55/747883755.db2.gz SKUNEXWXRWWFDL-MJBXVCDLSA-N 2 3 300.422 0.076 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2CF)CC1 ZINC001158568424 771790641 /nfs/dbraw/zinc/79/06/41/771790641.db2.gz PHDKMDLQJJMREO-MGPQQGTHSA-N 2 3 324.444 0.396 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2CF)CC1 ZINC001158568424 771790646 /nfs/dbraw/zinc/79/06/46/771790646.db2.gz PHDKMDLQJJMREO-MGPQQGTHSA-N 2 3 324.444 0.396 20 0 DCADHP CNC(=O)C[N@@H+]1CCCC12CCN(CC1CC[NH2+]CC1)CC2 ZINC001207434987 773204895 /nfs/dbraw/zinc/20/48/95/773204895.db2.gz BWSIFZBHUQOYCW-UHFFFAOYSA-N 2 3 308.470 0.662 20 0 DCADHP CNC(=O)C[N@H+]1CCCC12CCN(CC1CC[NH2+]CC1)CC2 ZINC001207434987 773204896 /nfs/dbraw/zinc/20/48/96/773204896.db2.gz BWSIFZBHUQOYCW-UHFFFAOYSA-N 2 3 308.470 0.662 20 0 DCADHP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC001207436428 773206089 /nfs/dbraw/zinc/20/60/89/773206089.db2.gz BTVGDZQJIZLRSF-IKGGRYGDSA-N 2 3 318.469 0.672 20 0 DCADHP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC001207436428 773206091 /nfs/dbraw/zinc/20/60/91/773206091.db2.gz BTVGDZQJIZLRSF-IKGGRYGDSA-N 2 3 318.469 0.672 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219536884 774528168 /nfs/dbraw/zinc/52/81/68/774528168.db2.gz GETPESVIHOLSMO-SUNKGSAMSA-N 2 3 304.394 0.529 20 0 DCADHP CCC[NH+]1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001219954347 774654989 /nfs/dbraw/zinc/65/49/89/774654989.db2.gz HCZBJLXNUYILMM-OAHLLOKOSA-N 2 3 308.470 0.851 20 0 DCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001220717008 774901098 /nfs/dbraw/zinc/90/10/98/774901098.db2.gz WWUVSASNFQTEAW-LVQVYYBASA-N 2 3 320.481 0.992 20 0 DCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001220717008 774901103 /nfs/dbraw/zinc/90/11/03/774901103.db2.gz WWUVSASNFQTEAW-LVQVYYBASA-N 2 3 320.481 0.992 20 0 DCADHP N[C@@H](C(=O)NC1(c2cccnc2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001221124173 775000404 /nfs/dbraw/zinc/00/04/04/775000404.db2.gz YUJZPDRTJXTSQS-OAHLLOKOSA-N 2 3 317.437 0.103 20 0 DCADHP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221127576 775002138 /nfs/dbraw/zinc/00/21/38/775002138.db2.gz GQTBIZPCECKWDA-HNNXBMFYSA-N 2 3 320.481 0.472 20 0 DCADHP COCCC1([NH3+])CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221134380 775002833 /nfs/dbraw/zinc/00/28/33/775002833.db2.gz XVLAJNCCFJIHTJ-CQSZACIVSA-N 2 3 324.469 0.217 20 0 DCADHP COCCC1([NH3+])CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221134380 775002840 /nfs/dbraw/zinc/00/28/40/775002840.db2.gz XVLAJNCCFJIHTJ-CQSZACIVSA-N 2 3 324.469 0.217 20 0 DCADHP C[NH+](C)CC1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221402545 775088419 /nfs/dbraw/zinc/08/84/19/775088419.db2.gz HSLSTTCKHNLOLN-CLKYRPBMSA-N 2 3 308.470 0.422 20 0 DCADHP O[C@@H](C[NH2+]C1(CC2CC2)CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001245996175 945309512 /nfs/dbraw/zinc/30/95/12/945309512.db2.gz KLIYKWMTRXFCPH-OAHLLOKOSA-N 2 3 311.470 0.364 20 0 DCADHP O[C@@H](CNC1(CC2CC2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996175 945309520 /nfs/dbraw/zinc/30/95/20/945309520.db2.gz KLIYKWMTRXFCPH-OAHLLOKOSA-N 2 3 311.470 0.364 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001246043148 945328151 /nfs/dbraw/zinc/32/81/51/945328151.db2.gz ALKVOOOGRIOBOI-DLBZAZTESA-N 2 3 303.450 0.993 20 0 DCADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246338849 945389830 /nfs/dbraw/zinc/38/98/30/945389830.db2.gz GZNANDQIZBGFTO-JYJNAYRXSA-N 2 3 301.438 0.416 20 0 DCADHP C(C1CCOCC1)[N@@H+]1CC[C@@H](N[C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358659 945392552 /nfs/dbraw/zinc/39/25/52/945392552.db2.gz AQHHSTOLEBWYBW-HZPDHXFCSA-N 2 3 308.470 0.171 20 0 DCADHP C(C1CCOCC1)[N@H+]1CC[C@@H](N[C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358659 945392556 /nfs/dbraw/zinc/39/25/56/945392556.db2.gz AQHHSTOLEBWYBW-HZPDHXFCSA-N 2 3 308.470 0.171 20 0 DCADHP COCC[N@@H+]1CC[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124204 417230850 /nfs/dbraw/zinc/23/08/50/417230850.db2.gz ALAMAGMDOGBAQX-OAHLLOKOSA-N 2 3 312.458 0.027 20 0 DCADHP COCC[N@H+]1CC[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124204 417230855 /nfs/dbraw/zinc/23/08/55/417230855.db2.gz ALAMAGMDOGBAQX-OAHLLOKOSA-N 2 3 312.458 0.027 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671588 262285950 /nfs/dbraw/zinc/28/59/50/262285950.db2.gz MOKKHEPCOPEXNG-CAOSSQGBSA-N 2 3 323.485 0.262 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671588 262285951 /nfs/dbraw/zinc/28/59/51/262285951.db2.gz MOKKHEPCOPEXNG-CAOSSQGBSA-N 2 3 323.485 0.262 20 0 DCADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169697 763570543 /nfs/dbraw/zinc/57/05/43/763570543.db2.gz RFHJUGGLYQTTLC-CQSZACIVSA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169697 763570548 /nfs/dbraw/zinc/57/05/48/763570548.db2.gz RFHJUGGLYQTTLC-CQSZACIVSA-N 2 3 306.454 0.605 20 0 DCADHP N[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001160461646 772044297 /nfs/dbraw/zinc/04/42/97/772044297.db2.gz VBQDWIOUBDYBRN-HZPDHXFCSA-N 2 3 308.470 0.790 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160970780 772145099 /nfs/dbraw/zinc/14/50/99/772145099.db2.gz BSBQZRHYHMJRDX-NEPJUHHUSA-N 2 3 306.401 0.677 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161315916 772203064 /nfs/dbraw/zinc/20/30/64/772203064.db2.gz FJUKJGCENQDWES-UMVBOHGHSA-N 2 3 312.458 0.330 20 0 DCADHP Nc1cn(C(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)ccc1=[NH2+] ZINC001218691049 774280649 /nfs/dbraw/zinc/28/06/49/774280649.db2.gz DXPZQRVHGCIBCY-LBPRGKRZSA-N 2 3 303.410 0.654 20 0 DCADHP Nc1cn(C(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)ccc1=[NH2+] ZINC001218691049 774280653 /nfs/dbraw/zinc/28/06/53/774280653.db2.gz DXPZQRVHGCIBCY-LBPRGKRZSA-N 2 3 303.410 0.654 20 0 DCADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001218898306 774323245 /nfs/dbraw/zinc/32/32/45/774323245.db2.gz MYILQBRDEHSZEG-AWEZNQCLSA-N 2 3 302.422 0.670 20 0 DCADHP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218937199 774332294 /nfs/dbraw/zinc/33/22/94/774332294.db2.gz NTUUVTDNOZXHKF-CRAIPNDOSA-N 2 3 314.433 0.512 20 0 DCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220062336 774685188 /nfs/dbraw/zinc/68/51/88/774685188.db2.gz VHHUVWGGBOLGBE-OLZOCXBDSA-N 2 3 302.488 0.386 20 0 DCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220062336 774685190 /nfs/dbraw/zinc/68/51/90/774685190.db2.gz VHHUVWGGBOLGBE-OLZOCXBDSA-N 2 3 302.488 0.386 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941432 774958878 /nfs/dbraw/zinc/95/88/78/774958878.db2.gz RRHSFTMIQCTRAH-IHRRRGAJSA-N 2 3 320.441 0.536 20 0 DCADHP CN(C)CCC[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001278049499 945117354 /nfs/dbraw/zinc/11/73/54/945117354.db2.gz LJDXCPHMOSDBGT-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP CN(C)CCC[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001278049499 945117358 /nfs/dbraw/zinc/11/73/58/945117358.db2.gz LJDXCPHMOSDBGT-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001245985643 945308114 /nfs/dbraw/zinc/30/81/14/945308114.db2.gz RXDJEQXDSSNLEL-IXDOHACOSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001245985643 945308123 /nfs/dbraw/zinc/30/81/23/945308123.db2.gz RXDJEQXDSSNLEL-IXDOHACOSA-N 2 3 319.449 0.418 20 0 DCADHP O[C@]1(CNCC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246008436 945314233 /nfs/dbraw/zinc/31/42/33/945314233.db2.gz PXZNAHWXGQMCKY-QGZVFWFLSA-N 2 3 304.438 0.308 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@H]2C1 ZINC001551403102 1015035887 /nfs/dbraw/zinc/03/58/87/1015035887.db2.gz QBRGBZNLNGWNHC-WCXIOVBPSA-N 2 3 322.497 0.846 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@H]2C1 ZINC001551403102 1015035897 /nfs/dbraw/zinc/03/58/97/1015035897.db2.gz QBRGBZNLNGWNHC-WCXIOVBPSA-N 2 3 322.497 0.846 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000612874558 397153446 /nfs/dbraw/zinc/15/34/46/397153446.db2.gz FHLFUSQRXBIEOM-QGZVFWFLSA-N 2 3 323.485 0.596 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000579230702 397537940 /nfs/dbraw/zinc/53/79/40/397537940.db2.gz SWZCTKQVIBHZTF-OWCLPIDISA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000579230702 397537942 /nfs/dbraw/zinc/53/79/42/397537942.db2.gz SWZCTKQVIBHZTF-OWCLPIDISA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000579230702 397537946 /nfs/dbraw/zinc/53/79/46/397537946.db2.gz SWZCTKQVIBHZTF-OWCLPIDISA-N 2 3 308.470 0.566 20 0 DCADHP C[C@H](C[C@@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009912 417555744 /nfs/dbraw/zinc/55/57/44/417555744.db2.gz IGCGEJGRZUJCAX-ZIAGYGMSSA-N 2 3 305.426 0.670 20 0 DCADHP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)C1 ZINC000662280523 546374831 /nfs/dbraw/zinc/37/48/31/546374831.db2.gz DNZIPXGQOMRYDB-OWCLPIDISA-N 2 3 309.454 0.726 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001579396968 1165296805 /nfs/dbraw/zinc/29/68/05/1165296805.db2.gz AECRDLNBKXZPLL-MELADBBJSA-N 2 3 302.438 0.322 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001579396968 1165296812 /nfs/dbraw/zinc/29/68/12/1165296812.db2.gz AECRDLNBKXZPLL-MELADBBJSA-N 2 3 302.438 0.322 20 0 DCADHP O=C(N1CCCC[C@@H]1C[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160460717 772043086 /nfs/dbraw/zinc/04/30/86/772043086.db2.gz DRISKMBFYIGSMD-JFIYKMOQSA-N 2 3 320.481 0.662 20 0 DCADHP Cc1cccc(N(C(=O)[C@@H](N)CCCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161303445 772200085 /nfs/dbraw/zinc/20/00/85/772200085.db2.gz YYDGVKCTXYLHFE-HNNXBMFYSA-N 2 3 319.453 0.931 20 0 DCADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161306617 772200854 /nfs/dbraw/zinc/20/08/54/772200854.db2.gz SRILTTYYRVWZNV-AWEZNQCLSA-N 2 3 305.426 0.495 20 0 DCADHP CC[C@]1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161444292 772224627 /nfs/dbraw/zinc/22/46/27/772224627.db2.gz FZFFBNSDNDMEOT-WBVHZDCISA-N 2 3 310.486 0.908 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233821 774417626 /nfs/dbraw/zinc/41/76/26/774417626.db2.gz WZMBDCADZJNVTI-SWLSCSKDSA-N 2 3 305.426 0.619 20 0 DCADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219773003 774602954 /nfs/dbraw/zinc/60/29/54/774602954.db2.gz JHHABUJFJPTMQJ-CQSZACIVSA-N 2 3 306.454 0.509 20 0 DCADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219773003 774602957 /nfs/dbraw/zinc/60/29/57/774602957.db2.gz JHHABUJFJPTMQJ-CQSZACIVSA-N 2 3 306.454 0.509 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023440 774673306 /nfs/dbraw/zinc/67/33/06/774673306.db2.gz YWZHWKMBTGBDPH-HNNXBMFYSA-N 2 3 320.437 0.199 20 0 DCADHP NCc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CCC2 ZINC001220377273 774787111 /nfs/dbraw/zinc/78/71/11/774787111.db2.gz QOKVZJOEMSXAPU-AWEZNQCLSA-N 2 3 303.410 0.146 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221412931 775093335 /nfs/dbraw/zinc/09/33/35/775093335.db2.gz HMHQDUZXKOTOPU-JKSUJKDBSA-N 2 3 310.486 0.986 20 0 DCADHP CN(C)CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031131 945208688 /nfs/dbraw/zinc/20/86/88/945208688.db2.gz SDBXQUYQCIBFHX-KRWDZBQOSA-N 2 3 308.470 0.615 20 0 DCADHP CN(C)CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031131 945208694 /nfs/dbraw/zinc/20/86/94/945208694.db2.gz SDBXQUYQCIBFHX-KRWDZBQOSA-N 2 3 308.470 0.615 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984249 945304453 /nfs/dbraw/zinc/30/44/53/945304453.db2.gz ITWVMWTUNZNDCU-IXDOHACOSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984249 945304462 /nfs/dbraw/zinc/30/44/62/945304462.db2.gz ITWVMWTUNZNDCU-IXDOHACOSA-N 2 3 319.449 0.418 20 0 DCADHP c1cncc(CC2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246422467 945410317 /nfs/dbraw/zinc/41/03/17/945410317.db2.gz UIWDPMDCPMWQGR-INIZCTEOSA-N 2 3 316.449 0.857 20 0 DCADHP CCOC(=O)[C@@]12CN([C@H]3CCC[NH2+]CC3)C[C@@H]1C[NH2+]CCC2 ZINC001246595428 945437933 /nfs/dbraw/zinc/43/79/33/945437933.db2.gz MYVCBZHVAKOLDC-ZOBUZTSGSA-N 2 3 309.454 0.993 20 0 DCADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011338 417556814 /nfs/dbraw/zinc/55/68/14/417556814.db2.gz NGPZZAZVWSAJDN-AEGPPILISA-N 2 3 305.426 0.655 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000656786496 418375958 /nfs/dbraw/zinc/37/59/58/418375958.db2.gz MXCLQQAPLLMHSH-WBVHZDCISA-N 2 3 322.497 0.895 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000515342234 287652472 /nfs/dbraw/zinc/65/24/72/287652472.db2.gz KXDOYUVVJBAGQD-LSDHHAIUSA-N 2 3 313.490 0.639 20 0 DCADHP C[NH+](C)CCN(Cc1ccc2n1CCNC2)[C@H]1CCC[NH2+]C1 ZINC001236933239 770023835 /nfs/dbraw/zinc/02/38/35/770023835.db2.gz PUEPXRIUBIBQHV-HNNXBMFYSA-N 2 3 305.470 0.707 20 0 DCADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162596 771732145 /nfs/dbraw/zinc/73/21/45/771732145.db2.gz YPFFEYOZSRAPRO-PBHICJAKSA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162596 771732148 /nfs/dbraw/zinc/73/21/48/771732148.db2.gz YPFFEYOZSRAPRO-PBHICJAKSA-N 2 3 306.454 0.605 20 0 DCADHP [NH3+]CCOCCOCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001159445426 771911196 /nfs/dbraw/zinc/91/11/96/771911196.db2.gz KYRRMAIQLVILRO-UHFFFAOYSA-N 2 3 323.441 0.413 20 0 DCADHP C[NH+](C)CCN(C(=O)c1ccc(CN)nc1)[C@H]1CCC[NH2+]C1 ZINC001161449542 772225409 /nfs/dbraw/zinc/22/54/09/772225409.db2.gz NSAPXLAVSYMWMK-HNNXBMFYSA-N 2 3 305.426 0.296 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592256 772250139 /nfs/dbraw/zinc/25/01/39/772250139.db2.gz JXYUYVZAOZNOHC-OAHLLOKOSA-N 2 3 302.422 0.674 20 0 DCADHP N[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C1CC[NH2+]CC1 ZINC001218533214 774239914 /nfs/dbraw/zinc/23/99/14/774239914.db2.gz LAVIWSQQCZNYMC-SKDRFNHKSA-N 2 3 309.439 0.225 20 0 DCADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029758 774350417 /nfs/dbraw/zinc/35/04/17/774350417.db2.gz MKUHTUKRHOMAGC-ZDUSSCGKSA-N 2 3 306.410 0.954 20 0 DCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001220717007 774900685 /nfs/dbraw/zinc/90/06/85/774900685.db2.gz WWUVSASNFQTEAW-JONQDZQNSA-N 2 3 320.481 0.992 20 0 DCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001220717007 774900689 /nfs/dbraw/zinc/90/06/89/774900689.db2.gz WWUVSASNFQTEAW-JONQDZQNSA-N 2 3 320.481 0.992 20 0 DCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@H](C)C1 ZINC001221409404 775091649 /nfs/dbraw/zinc/09/16/49/775091649.db2.gz UEJKSIFDNZKVKQ-KCYZZUKISA-N 2 3 308.470 0.421 20 0 DCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@H](C)C1 ZINC001221409404 775091654 /nfs/dbraw/zinc/09/16/54/775091654.db2.gz UEJKSIFDNZKVKQ-KCYZZUKISA-N 2 3 308.470 0.421 20 0 DCADHP C(C1CCOCC1)[N@@H+]1CC[C@@H](N[C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358661 945391364 /nfs/dbraw/zinc/39/13/64/945391364.db2.gz AQHHSTOLEBWYBW-JKSUJKDBSA-N 2 3 308.470 0.171 20 0 DCADHP C(C1CCOCC1)[N@H+]1CC[C@@H](N[C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358661 945391371 /nfs/dbraw/zinc/39/13/71/945391371.db2.gz AQHHSTOLEBWYBW-JKSUJKDBSA-N 2 3 308.470 0.171 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1C[C@@H](C)N[C@@H](C)C1)C2 ZINC001246665579 945456315 /nfs/dbraw/zinc/45/63/15/945456315.db2.gz CILZJWKUXZIIPO-VDTQWGJQSA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1C[C@@H](C)N[C@@H](C)C1)C2 ZINC001246665579 945456320 /nfs/dbraw/zinc/45/63/20/945456320.db2.gz CILZJWKUXZIIPO-VDTQWGJQSA-N 2 3 321.465 0.846 20 0 DCADHP FC1CC[NH+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246822287 945499394 /nfs/dbraw/zinc/49/93/94/945499394.db2.gz XZQJMDWKNKHFAO-MRXNPFEDSA-N 2 3 310.461 0.979 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418484669 285277367 /nfs/dbraw/zinc/27/73/67/285277367.db2.gz GSUGGUKBYPLUBP-GJZGRUSLSA-N 2 3 313.490 0.639 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418484669 285277369 /nfs/dbraw/zinc/27/73/69/285277369.db2.gz GSUGGUKBYPLUBP-GJZGRUSLSA-N 2 3 313.490 0.639 20 0 DCADHP CCOCCC[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423202405 416478156 /nfs/dbraw/zinc/47/81/56/416478156.db2.gz KNJQWMSRNLYPBO-IRXDYDNUSA-N 2 3 312.502 0.618 20 0 DCADHP CCOCCC[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423202405 416478162 /nfs/dbraw/zinc/47/81/62/416478162.db2.gz KNJQWMSRNLYPBO-IRXDYDNUSA-N 2 3 312.502 0.618 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575749231 417546259 /nfs/dbraw/zinc/54/62/59/417546259.db2.gz NRISYCGEDCENEY-OWCLPIDISA-N 2 3 308.470 0.505 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000575749231 417546262 /nfs/dbraw/zinc/54/62/62/417546262.db2.gz NRISYCGEDCENEY-OWCLPIDISA-N 2 3 308.470 0.505 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662283688 546375625 /nfs/dbraw/zinc/37/56/25/546375625.db2.gz JNBZBIWIKMHUNN-QXSJWSMHSA-N 2 3 309.454 0.868 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662283688 546375629 /nfs/dbraw/zinc/37/56/29/546375629.db2.gz JNBZBIWIKMHUNN-QXSJWSMHSA-N 2 3 309.454 0.868 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000891460772 658879834 /nfs/dbraw/zinc/87/98/34/658879834.db2.gz JFYMPOUKWDYTMP-MRXNPFEDSA-N 2 3 323.485 0.678 20 0 DCADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCNCCC12CCOCC2 ZINC000903819086 663487044 /nfs/dbraw/zinc/48/70/44/663487044.db2.gz ASOMJQOFSVNKQM-INIZCTEOSA-N 2 3 323.481 0.990 20 0 DCADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCNCCC12CCOCC2 ZINC000903819086 663487045 /nfs/dbraw/zinc/48/70/45/663487045.db2.gz ASOMJQOFSVNKQM-INIZCTEOSA-N 2 3 323.481 0.990 20 0 DCADHP NCc1cn(-c2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)nn1 ZINC000873218704 668066652 /nfs/dbraw/zinc/06/66/52/668066652.db2.gz OXTJZCOOGNOBPG-UHFFFAOYSA-N 2 3 300.410 0.815 20 0 DCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@H](C)C1 ZINC001221408545 747979773 /nfs/dbraw/zinc/97/97/73/747979773.db2.gz QJASOCUJXWFZMY-FRRDWIJNSA-N 2 3 302.488 0.241 20 0 DCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@H](C)C1 ZINC001221408545 747979777 /nfs/dbraw/zinc/97/97/77/747979777.db2.gz QJASOCUJXWFZMY-FRRDWIJNSA-N 2 3 302.488 0.241 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158569380 764359903 /nfs/dbraw/zinc/35/99/03/764359903.db2.gz ZACJUBCCCHRNIK-MCIONIFRSA-N 2 3 314.449 0.581 20 0 DCADHP N[C@H](CCC[NH3+])Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170898488 766249901 /nfs/dbraw/zinc/24/99/01/766249901.db2.gz COUROSDAWLJRNU-KBPBESRZSA-N 2 3 303.410 0.273 20 0 DCADHP COCCC[NH+]1CCC(NCCN2CCC[N@H+](C)CC2)CC1 ZINC001172246314 769463474 /nfs/dbraw/zinc/46/34/74/769463474.db2.gz ABSNYXAXAXORCE-UHFFFAOYSA-N 2 3 312.502 0.714 20 0 DCADHP COCCC[NH+]1CCC(NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001172246314 769463485 /nfs/dbraw/zinc/46/34/85/769463485.db2.gz ABSNYXAXAXORCE-UHFFFAOYSA-N 2 3 312.502 0.714 20 0 DCADHP [NH3+][C@@H]1CCN(C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617361 770012573 /nfs/dbraw/zinc/01/25/73/770012573.db2.gz UOUHLVHKPVHPFF-CQSZACIVSA-N 2 3 318.469 0.026 20 0 DCADHP N[C@@H]1CC[N@@H+](C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617361 770012588 /nfs/dbraw/zinc/01/25/88/770012588.db2.gz UOUHLVHKPVHPFF-CQSZACIVSA-N 2 3 318.469 0.026 20 0 DCADHP N[C@@H]1CC[N@H+](C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617361 770012600 /nfs/dbraw/zinc/01/26/00/770012600.db2.gz UOUHLVHKPVHPFF-CQSZACIVSA-N 2 3 318.469 0.026 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@@H]12 ZINC001161413664 772219740 /nfs/dbraw/zinc/21/97/40/772219740.db2.gz RDRITDIBSPJGSP-MUIFIZLQSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@@H]12 ZINC001161413664 772219748 /nfs/dbraw/zinc/21/97/48/772219748.db2.gz RDRITDIBSPJGSP-MUIFIZLQSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CCNCC4)C3)C[C@@H]12 ZINC001161413664 772219753 /nfs/dbraw/zinc/21/97/53/772219753.db2.gz RDRITDIBSPJGSP-MUIFIZLQSA-N 2 3 320.481 0.646 20 0 DCADHP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218937104 774332574 /nfs/dbraw/zinc/33/25/74/774332574.db2.gz KJLWXZVBKKNESL-HNNXBMFYSA-N 2 3 300.406 0.122 20 0 DCADHP [NH3+][C@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CC[NH2+]CC1 ZINC001219027914 774350738 /nfs/dbraw/zinc/35/07/38/774350738.db2.gz IAWUAQVSFWEBST-HNNXBMFYSA-N 2 3 304.394 0.434 20 0 DCADHP N[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC001219818728 774620252 /nfs/dbraw/zinc/62/02/52/774620252.db2.gz LNQFYQFFKQGVGQ-OAGGEKHMSA-N 2 3 302.422 0.533 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161295 774715175 /nfs/dbraw/zinc/71/51/75/774715175.db2.gz BHYPJMWZHHQGNX-SGMGOOAPSA-N 2 3 300.472 0.044 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCc2ccc(CN)nc21 ZINC001220376994 774787247 /nfs/dbraw/zinc/78/72/47/774787247.db2.gz GODDNZIFRVIFEX-AWEZNQCLSA-N 2 3 305.426 0.537 20 0 DCADHP C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001273145043 945326785 /nfs/dbraw/zinc/32/67/85/945326785.db2.gz UMXLKPXAHONKFO-AEFFLSMTSA-N 2 3 322.497 0.957 20 0 DCADHP C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001273145043 945326791 /nfs/dbraw/zinc/32/67/91/945326791.db2.gz UMXLKPXAHONKFO-AEFFLSMTSA-N 2 3 322.497 0.957 20 0 DCADHP C1NCC12C[C@@H]([NH+]1CCC(OC3CC[NH2+]CC3)CC1)CCO2 ZINC001246664537 945455563 /nfs/dbraw/zinc/45/55/63/945455563.db2.gz RSHKHPABLTYGCY-AWEZNQCLSA-N 2 3 309.454 0.740 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3C[C@@H]4C=C[C@H](C3)N4)C[C@H]1C2 ZINC001246856321 945505923 /nfs/dbraw/zinc/50/59/23/945505923.db2.gz DLZSGEZBEJRJTA-DNQCCUHYSA-N 2 3 317.433 0.376 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3C[C@@H]4C=C[C@H](C3)N4)C[C@H]1C2 ZINC001246856321 945505925 /nfs/dbraw/zinc/50/59/25/945505925.db2.gz DLZSGEZBEJRJTA-DNQCCUHYSA-N 2 3 317.433 0.376 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420330216 240023063 /nfs/dbraw/zinc/02/30/63/240023063.db2.gz PQHSZRXTKJYJDO-HOTGVXAUSA-N 2 3 322.497 0.908 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC[NH2+]C ZINC000418310347 285277539 /nfs/dbraw/zinc/27/75/39/285277539.db2.gz PJJAZFGMMXHMFX-HNNXBMFYSA-N 2 3 313.490 0.653 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC[NH2+]C ZINC000418310347 285277542 /nfs/dbraw/zinc/27/75/42/285277542.db2.gz PJJAZFGMMXHMFX-HNNXBMFYSA-N 2 3 313.490 0.653 20 0 DCADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424272381 416636616 /nfs/dbraw/zinc/63/66/16/416636616.db2.gz QOWYLIGNVUZWFI-LSDHHAIUSA-N 2 3 322.428 0.655 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000515342232 287652555 /nfs/dbraw/zinc/65/25/55/287652555.db2.gz KXDOYUVVJBAGQD-GJZGRUSLSA-N 2 3 313.490 0.639 20 0 DCADHP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)C1 ZINC000662280521 546374699 /nfs/dbraw/zinc/37/46/99/546374699.db2.gz DNZIPXGQOMRYDB-BZUAXINKSA-N 2 3 309.454 0.726 20 0 DCADHP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000881017323 669287075 /nfs/dbraw/zinc/28/70/75/669287075.db2.gz BEDPQNQJIYRSNP-HUUCEWRRSA-N 2 3 310.486 0.669 20 0 DCADHP C[C@H]([NH3+])CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001649926312 1173312123 /nfs/dbraw/zinc/31/21/23/1173312123.db2.gz OAQFBDCDYFPQCQ-ZDUSSCGKSA-N 2 3 311.474 0.534 20 0 DCADHP C[NH2+]CC1CCN(Cc2cccc(C(=O)NCC[NH3+])c2)CC1 ZINC001235677937 769929113 /nfs/dbraw/zinc/92/91/13/769929113.db2.gz BHDHUPDAWGLDCU-UHFFFAOYSA-N 2 3 304.438 0.807 20 0 DCADHP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1CNCCO1 ZINC001235962152 769963741 /nfs/dbraw/zinc/96/37/41/769963741.db2.gz LPXYXINYNXOWFT-KRWDZBQOSA-N 2 3 314.518 0.960 20 0 DCADHP [NH3+]C1CCN([C@@H]2CCN(Cc3cnc4n3CC[NH2+]CC4)C2)CC1 ZINC001236623869 770015897 /nfs/dbraw/zinc/01/58/97/770015897.db2.gz VGUUYBCSGPWISE-OAHLLOKOSA-N 2 3 318.469 0.026 20 0 DCADHP [NH3+]C1CCN(c2cccc(N[C@@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155469733 770512587 /nfs/dbraw/zinc/51/25/87/770512587.db2.gz PECYTBCBYBGLRJ-CQSZACIVSA-N 2 3 317.437 0.800 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC1 ZINC001160456922 772043152 /nfs/dbraw/zinc/04/31/52/772043152.db2.gz UJFYTWKEZNPAPF-MRXNPFEDSA-N 2 3 322.497 0.908 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)CC1 ZINC001160456922 772043156 /nfs/dbraw/zinc/04/31/56/772043156.db2.gz UJFYTWKEZNPAPF-MRXNPFEDSA-N 2 3 322.497 0.908 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)CC1 ZINC001160456922 772043162 /nfs/dbraw/zinc/04/31/62/772043162.db2.gz UJFYTWKEZNPAPF-MRXNPFEDSA-N 2 3 322.497 0.908 20 0 DCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204899 772183721 /nfs/dbraw/zinc/18/37/21/772183721.db2.gz FQPWLIHBBWVDDT-OAHLLOKOSA-N 2 3 306.454 0.034 20 0 DCADHP COc1cc(N(C(=O)[C@@H](N)CCC[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161385590 772215037 /nfs/dbraw/zinc/21/50/37/772215037.db2.gz FMHYIOQCAMGGIX-AWEZNQCLSA-N 2 3 321.425 0.241 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001161444873 772224325 /nfs/dbraw/zinc/22/43/25/772224325.db2.gz LJUNZTSZGLBVFS-JONQDZQNSA-N 2 3 308.470 0.374 20 0 DCADHP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219022113 774348441 /nfs/dbraw/zinc/34/84/41/774348441.db2.gz BLYBVCGHKULUQP-HNNXBMFYSA-N 2 3 302.422 0.538 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288005 774437295 /nfs/dbraw/zinc/43/72/95/774437295.db2.gz GZXSTJGZQVWEGD-CYBMUJFWSA-N 2 3 323.416 0.758 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161294 774714686 /nfs/dbraw/zinc/71/46/86/774714686.db2.gz BHYPJMWZHHQGNX-OBJOEFQTSA-N 2 3 300.472 0.044 20 0 DCADHP COc1cccc(C2(NC(=O)[C@H](N)CCC[NH3+])CC[NH2+]CC2)c1 ZINC001221094049 774993915 /nfs/dbraw/zinc/99/39/15/774993915.db2.gz FJMQPGRPXLJVQC-OAHLLOKOSA-N 2 3 320.437 0.456 20 0 DCADHP COc1cccc(C2(CNC[C@@]3(O)CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001245999857 945309846 /nfs/dbraw/zinc/30/98/46/945309846.db2.gz XOBUBUXONGAXGX-GOSISDBHSA-N 2 3 319.449 0.630 20 0 DCADHP O[C@@]1(CNCC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246003722 945312914 /nfs/dbraw/zinc/31/29/14/945312914.db2.gz FWQKUAKLINDDCC-KRWDZBQOSA-N 2 3 304.438 0.308 20 0 DCADHP CN1CCC([N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246988738 945537570 /nfs/dbraw/zinc/53/75/70/945537570.db2.gz IOKWNXXOKPWXMF-MRXNPFEDSA-N 2 3 324.538 0.982 20 0 DCADHP CN1CCC([N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246988738 945537578 /nfs/dbraw/zinc/53/75/78/945537578.db2.gz IOKWNXXOKPWXMF-MRXNPFEDSA-N 2 3 324.538 0.982 20 0 DCADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424272378 416636937 /nfs/dbraw/zinc/63/69/37/416636937.db2.gz QOWYLIGNVUZWFI-CABCVRRESA-N 2 3 322.428 0.655 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)CC1 ZINC000444162568 416808679 /nfs/dbraw/zinc/80/86/79/416808679.db2.gz SUMOBGDSQSEAPW-AEFFLSMTSA-N 2 3 320.481 0.661 20 0 DCADHP C[C@H]([NH3+])CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000857101671 670882397 /nfs/dbraw/zinc/88/23/97/670882397.db2.gz JZFPSJHPUXRRNM-ZDUSSCGKSA-N 2 3 311.474 0.582 20 0 DCADHP CCN1CCC([N@@H+]2CCCN(C[C@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768081 1164786704 /nfs/dbraw/zinc/78/67/04/1164786704.db2.gz VAYINOYUZKUTFM-QGZVFWFLSA-N 2 3 312.502 0.449 20 0 DCADHP CCN1CCC([N@H+]2CCCN(C[C@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768081 1164786708 /nfs/dbraw/zinc/78/67/08/1164786708.db2.gz VAYINOYUZKUTFM-QGZVFWFLSA-N 2 3 312.502 0.449 20 0 DCADHP CC[NH+]1CCC(N2CCCN(C[C@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768081 1164786712 /nfs/dbraw/zinc/78/67/12/1164786712.db2.gz VAYINOYUZKUTFM-QGZVFWFLSA-N 2 3 312.502 0.449 20 0 DCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050359 772159548 /nfs/dbraw/zinc/15/95/48/772159548.db2.gz MDSCSGPBKONLIG-LSDHHAIUSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050359 772159549 /nfs/dbraw/zinc/15/95/49/772159549.db2.gz MDSCSGPBKONLIG-LSDHHAIUSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050359 772159551 /nfs/dbraw/zinc/15/95/51/772159551.db2.gz MDSCSGPBKONLIG-LSDHHAIUSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050359 772159552 /nfs/dbraw/zinc/15/95/52/772159552.db2.gz MDSCSGPBKONLIG-LSDHHAIUSA-N 2 3 308.470 0.802 20 0 DCADHP CCN(CC)CCNC(=[NH2+])Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001163125790 772467898 /nfs/dbraw/zinc/46/78/98/772467898.db2.gz KDJXNFJZEKVNCI-UHFFFAOYSA-N 2 3 320.445 0.164 20 0 DCADHP N[C@H](C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001220791459 774916343 /nfs/dbraw/zinc/91/63/43/774916343.db2.gz YNBPRTQFQGMNLG-PMPSAXMXSA-N 2 3 317.437 0.175 20 0 DCADHP COc1ccc(C2(CNC[C@@]3(O)CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001246009912 945314185 /nfs/dbraw/zinc/31/41/85/945314185.db2.gz WCPIHLSIFXNVCD-GOSISDBHSA-N 2 3 319.449 0.630 20 0 DCADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246140626 945344570 /nfs/dbraw/zinc/34/45/70/945344570.db2.gz BBBCIPLYZVHURQ-NQNKBUKLSA-N 2 3 309.454 0.644 20 0 DCADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001246339971 945389405 /nfs/dbraw/zinc/38/94/05/945389405.db2.gz JGQSTCAZSIYNOL-JYJNAYRXSA-N 2 3 302.422 0.843 20 0 DCADHP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859980 945508379 /nfs/dbraw/zinc/50/83/79/945508379.db2.gz RFQMGBRAVNFNHK-DBDULZNHSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859980 945508384 /nfs/dbraw/zinc/50/83/84/945508384.db2.gz RFQMGBRAVNFNHK-DBDULZNHSA-N 2 3 321.465 0.848 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@H](CC)C2)CCC12C[NH2+]C2 ZINC001247009554 945543302 /nfs/dbraw/zinc/54/33/02/945543302.db2.gz RSGVPJXBSRAYEX-KFWWJZLASA-N 2 3 309.454 0.992 20 0 DCADHP C[NH+](C)CCCN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273711809 948041883 /nfs/dbraw/zinc/04/18/83/948041883.db2.gz JLXFKWMJFRWOHK-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000581001485 396517471 /nfs/dbraw/zinc/51/74/71/396517471.db2.gz KIZPQBLJPILRCF-UHFFFAOYSA-N 2 3 311.474 0.431 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579238766 397541579 /nfs/dbraw/zinc/54/15/79/397541579.db2.gz WLVSOKHSLXXGFV-GDBMZVCRSA-N 2 3 308.470 0.505 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418390742 287246951 /nfs/dbraw/zinc/24/69/51/287246951.db2.gz UZZQXVNOFNKPBH-CABCVRRESA-N 2 3 311.474 0.406 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418390742 287246954 /nfs/dbraw/zinc/24/69/54/287246954.db2.gz UZZQXVNOFNKPBH-CABCVRRESA-N 2 3 311.474 0.406 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307769 287288570 /nfs/dbraw/zinc/28/85/70/287288570.db2.gz MMVRFMPXWCOTDD-DZVNLGKHSA-N 2 3 303.450 0.977 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307769 287288573 /nfs/dbraw/zinc/28/85/73/287288573.db2.gz MMVRFMPXWCOTDD-DZVNLGKHSA-N 2 3 303.450 0.977 20 0 DCADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424272379 416637263 /nfs/dbraw/zinc/63/72/63/416637263.db2.gz QOWYLIGNVUZWFI-GJZGRUSLSA-N 2 3 322.428 0.655 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000519812543 416940859 /nfs/dbraw/zinc/94/08/59/416940859.db2.gz BLPLNRQKMGPQFP-UHFFFAOYSA-N 2 3 313.490 0.511 20 0 DCADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011343 417555593 /nfs/dbraw/zinc/55/55/93/417555593.db2.gz NGPZZAZVWSAJDN-NWANDNLSSA-N 2 3 305.426 0.655 20 0 DCADHP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662280455 546375085 /nfs/dbraw/zinc/37/50/85/546375085.db2.gz DRZYJHATAKHDIJ-OAGGEKHMSA-N 2 3 309.454 0.726 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158240716 771745041 /nfs/dbraw/zinc/74/50/41/771745041.db2.gz MNHFBQFBUIJDBS-MNOVXSKESA-N 2 3 322.375 0.728 20 0 DCADHP O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306705 771756656 /nfs/dbraw/zinc/75/66/56/771756656.db2.gz WBYYGWDPWMLCBU-OFQRWUPVSA-N 2 3 306.454 0.271 20 0 DCADHP O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306705 771756657 /nfs/dbraw/zinc/75/66/57/771756657.db2.gz WBYYGWDPWMLCBU-OFQRWUPVSA-N 2 3 306.454 0.271 20 0 DCADHP O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306705 771756659 /nfs/dbraw/zinc/75/66/59/771756659.db2.gz WBYYGWDPWMLCBU-OFQRWUPVSA-N 2 3 306.454 0.271 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301504 774440971 /nfs/dbraw/zinc/44/09/71/774440971.db2.gz YAXXGOYQAPDMGB-ZDUSSCGKSA-N 2 3 324.400 0.961 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789724 774916382 /nfs/dbraw/zinc/91/63/82/774916382.db2.gz MSKQQHZPBYBWQY-ILXRZTDVSA-N 2 3 305.426 0.305 20 0 DCADHP COc1cccc([C@H](C[NH3+])NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001221406672 775089959 /nfs/dbraw/zinc/08/99/59/775089959.db2.gz TXFNHEFRCDGNDZ-UKPHBRMFSA-N 2 3 318.421 0.010 20 0 DCADHP O=C1NCC[C@@]12C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001222520659 775376929 /nfs/dbraw/zinc/37/69/29/775376929.db2.gz JETMWUGQMWTOOZ-GOSISDBHSA-N 2 3 318.465 0.178 20 0 DCADHP O=C1NCC[C@@]12C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001222520659 775376942 /nfs/dbraw/zinc/37/69/42/775376942.db2.gz JETMWUGQMWTOOZ-GOSISDBHSA-N 2 3 318.465 0.178 20 0 DCADHP C1COC2(CCC(N3CCN(C4CC[NH2+]CC4)CC3)CC2)C[NH2+]1 ZINC001246797649 945490669 /nfs/dbraw/zinc/49/06/69/945490669.db2.gz VFJSPOFJWRDWDD-UHFFFAOYSA-N 2 3 322.497 0.657 20 0 DCADHP CCOC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008629 945540458 /nfs/dbraw/zinc/54/04/58/945540458.db2.gz NNOATWJOXAIAMB-IZGVIRRGSA-N 2 3 307.438 0.744 20 0 DCADHP C[NH+](C)C[C@H]1CN(C(=O)C2(N)CC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC001552850126 1015552015 /nfs/dbraw/zinc/55/20/15/1015552015.db2.gz YPJJMJWNISOASJ-GASCZTMLSA-N 2 3 322.497 0.846 20 0 DCADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000578744257 397476403 /nfs/dbraw/zinc/47/64/03/397476403.db2.gz YEBYMPCLBSUNBU-CABCVRRESA-N 2 3 313.490 0.509 20 0 DCADHP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000650720668 418321213 /nfs/dbraw/zinc/32/12/13/418321213.db2.gz XYHPQQJPGKGDRP-AWEZNQCLSA-N 2 3 304.438 0.693 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782314 418376413 /nfs/dbraw/zinc/37/64/13/418376413.db2.gz FARDBIHMTDIVFS-DOTOQJQBSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782314 418376415 /nfs/dbraw/zinc/37/64/15/418376415.db2.gz FARDBIHMTDIVFS-DOTOQJQBSA-N 2 3 322.497 0.895 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000849060207 670756702 /nfs/dbraw/zinc/75/67/02/670756702.db2.gz MAOHFPPZKNZSIU-MRXNPFEDSA-N 2 3 324.517 0.612 20 0 DCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)C1 ZINC001221408544 747980220 /nfs/dbraw/zinc/98/02/20/747980220.db2.gz QJASOCUJXWFZMY-AVGNSLFASA-N 2 3 302.488 0.241 20 0 DCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)C1 ZINC001221408544 747980225 /nfs/dbraw/zinc/98/02/25/747980225.db2.gz QJASOCUJXWFZMY-AVGNSLFASA-N 2 3 302.488 0.241 20 0 DCADHP [NH3+]C1CCN([C@H]2CCN(Cc3cnc4n3CC[NH2+]CC4)C2)CC1 ZINC001236623867 770015620 /nfs/dbraw/zinc/01/56/20/770015620.db2.gz VGUUYBCSGPWISE-HNNXBMFYSA-N 2 3 318.469 0.026 20 0 DCADHP CCN(CC)CCNC(=[NH2+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001163128214 772469001 /nfs/dbraw/zinc/46/90/01/772469001.db2.gz FIRFFLANZJMONS-UHFFFAOYSA-N 2 3 319.457 0.769 20 0 DCADHP c1nc2n(c1CN1CCCC3(CC[NH2+]CC3)C1)CC[NH2+]CC2 ZINC001204735582 772960119 /nfs/dbraw/zinc/96/01/19/772960119.db2.gz YRGAEKMEWOMYRH-UHFFFAOYSA-N 2 3 303.454 0.994 20 0 DCADHP N[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CC[NH2+]CC1 ZINC001218533212 774240089 /nfs/dbraw/zinc/24/00/89/774240089.db2.gz LAVIWSQQCZNYMC-CABZTGNLSA-N 2 3 309.439 0.225 20 0 DCADHP [NH3+]C1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2)CCC1 ZINC001218972067 774338039 /nfs/dbraw/zinc/33/80/39/774338039.db2.gz IHQKHUUXKXWKJO-AWEZNQCLSA-N 2 3 300.406 0.772 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233822 774417832 /nfs/dbraw/zinc/41/78/32/774417832.db2.gz WZMBDCADZJNVTI-WFASDCNBSA-N 2 3 305.426 0.619 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+](CC34CC([NH3+])(C3)C4)C[C@@H]1CNCCC2 ZINC001222125356 775281104 /nfs/dbraw/zinc/28/11/04/775281104.db2.gz JVZNVRRBTHVHCC-LYAPFXNSSA-N 2 3 307.438 0.733 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+](CC34CC([NH3+])(C3)C4)C[C@@H]1CNCCC2 ZINC001222125356 775281110 /nfs/dbraw/zinc/28/11/10/775281110.db2.gz JVZNVRRBTHVHCC-LYAPFXNSSA-N 2 3 307.438 0.733 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245994505 945309005 /nfs/dbraw/zinc/30/90/05/945309005.db2.gz NSMVWJCGAGPXBN-XDNAFOTISA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245994505 945309011 /nfs/dbraw/zinc/30/90/11/945309011.db2.gz NSMVWJCGAGPXBN-XDNAFOTISA-N 2 3 319.449 0.418 20 0 DCADHP [NH3+]CCOCCOCCN[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246283258 945376685 /nfs/dbraw/zinc/37/66/85/945376685.db2.gz GRHYQQIVQSLNEL-ROUUACIJSA-N 2 3 321.465 0.931 20 0 DCADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001246339975 945388090 /nfs/dbraw/zinc/38/80/90/945388090.db2.gz JGQSTCAZSIYNOL-XHSDSOJGSA-N 2 3 302.422 0.843 20 0 DCADHP c1ccc(CC2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368342 945396809 /nfs/dbraw/zinc/39/68/09/945396809.db2.gz FGANVWFGXXOCKZ-MRXNPFEDSA-N 2 3 316.449 0.857 20 0 DCADHP c1cncc(CC2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246421687 945407334 /nfs/dbraw/zinc/40/73/34/945407334.db2.gz NNLIAKZMIPUKMU-MRXNPFEDSA-N 2 3 315.465 0.430 20 0 DCADHP CN1CCC([N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246988652 945538027 /nfs/dbraw/zinc/53/80/27/945538027.db2.gz IOKWNXXOKPWXMF-INIZCTEOSA-N 2 3 324.538 0.982 20 0 DCADHP CN1CCC([N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246988652 945538033 /nfs/dbraw/zinc/53/80/33/945538033.db2.gz IOKWNXXOKPWXMF-INIZCTEOSA-N 2 3 324.538 0.982 20 0 DCADHP CCOC(=O)[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005788 945540221 /nfs/dbraw/zinc/54/02/21/945540221.db2.gz GNXUPTNVZMUITA-ZIAGYGMSSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005788 945540230 /nfs/dbraw/zinc/54/02/30/945540230.db2.gz GNXUPTNVZMUITA-ZIAGYGMSSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005788 945540235 /nfs/dbraw/zinc/54/02/35/945540235.db2.gz GNXUPTNVZMUITA-ZIAGYGMSSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@H](CC)C2)CCC12C[NH2+]C2 ZINC001247009553 945542446 /nfs/dbraw/zinc/54/24/46/945542446.db2.gz RSGVPJXBSRAYEX-ILXRZTDVSA-N 2 3 309.454 0.992 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420330215 240020568 /nfs/dbraw/zinc/02/05/68/240020568.db2.gz PQHSZRXTKJYJDO-CVEARBPZSA-N 2 3 322.497 0.908 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1C[NH2+]C1 ZINC000418490283 285244362 /nfs/dbraw/zinc/24/43/62/285244362.db2.gz PZPCRZTXWGBCAV-OAHLLOKOSA-N 2 3 311.474 0.263 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1C[NH2+]C1 ZINC000418490283 285244363 /nfs/dbraw/zinc/24/43/63/285244363.db2.gz PZPCRZTXWGBCAV-OAHLLOKOSA-N 2 3 311.474 0.263 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579238767 397541864 /nfs/dbraw/zinc/54/18/64/397541864.db2.gz WLVSOKHSLXXGFV-GOEBONIOSA-N 2 3 308.470 0.505 20 0 DCADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)C[C@H]1C[NH+](C)C ZINC000870019170 667698606 /nfs/dbraw/zinc/69/86/06/667698606.db2.gz SDIYAAVOZBSVAJ-INMHGKMJSA-N 2 3 322.497 0.811 20 0 DCADHP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000747532143 667906635 /nfs/dbraw/zinc/90/66/35/667906635.db2.gz SPORTZFWDYIWCC-IRXDYDNUSA-N 2 3 313.486 0.876 20 0 DCADHP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000747532143 667906639 /nfs/dbraw/zinc/90/66/39/667906639.db2.gz SPORTZFWDYIWCC-IRXDYDNUSA-N 2 3 313.486 0.876 20 0 DCADHP N=C(NCCCC[NH3+])Nc1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001167878908 748459310 /nfs/dbraw/zinc/45/93/10/748459310.db2.gz VBOBKRAMMOKQAN-UHFFFAOYSA-N 2 3 309.393 0.758 20 0 DCADHP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1COCCN1 ZINC001235963371 769963210 /nfs/dbraw/zinc/96/32/10/769963210.db2.gz UEWMUKCJPPBVJG-QGZVFWFLSA-N 2 3 314.518 0.960 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC1 ZINC001160456921 772043327 /nfs/dbraw/zinc/04/33/27/772043327.db2.gz UJFYTWKEZNPAPF-INIZCTEOSA-N 2 3 322.497 0.908 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)CC1 ZINC001160456921 772043328 /nfs/dbraw/zinc/04/33/28/772043328.db2.gz UJFYTWKEZNPAPF-INIZCTEOSA-N 2 3 322.497 0.908 20 0 DCADHP C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)CC1 ZINC001160456921 772043336 /nfs/dbraw/zinc/04/33/36/772043336.db2.gz UJFYTWKEZNPAPF-INIZCTEOSA-N 2 3 322.497 0.908 20 0 DCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461758 772044005 /nfs/dbraw/zinc/04/40/05/772044005.db2.gz XANDREVVDRFMJW-GJZGRUSLSA-N 2 3 306.454 0.272 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271194 772194738 /nfs/dbraw/zinc/19/47/38/772194738.db2.gz XEIQGMSWXUAJFN-GJZGRUSLSA-N 2 3 305.426 0.228 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580009 772248570 /nfs/dbraw/zinc/24/85/70/772248570.db2.gz PURIUUCMSVSAKL-INIZCTEOSA-N 2 3 316.449 0.716 20 0 DCADHP [NH3+]CCNC(=O)c1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC001206506867 773082577 /nfs/dbraw/zinc/08/25/77/773082577.db2.gz UONXUDUIAODHQE-UHFFFAOYSA-N 2 3 304.438 0.936 20 0 DCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)CSCC[NH3+])CC1(C)C ZINC001220511052 774830261 /nfs/dbraw/zinc/83/02/61/774830261.db2.gz PINLEKWSSSYJBU-LBPRGKRZSA-N 2 3 316.515 0.773 20 0 DCADHP N[C@H](C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001220791457 774916624 /nfs/dbraw/zinc/91/66/24/774916624.db2.gz YNBPRTQFQGMNLG-JYJNAYRXSA-N 2 3 317.437 0.175 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250649 775042962 /nfs/dbraw/zinc/04/29/62/775042962.db2.gz SHGHFVLTQWASJC-GXTWGEPZSA-N 2 3 300.472 0.044 20 0 DCADHP CCOC(=O)C[C@H]([NH2+]C[C@]1(O)CCCNC1)C1CC[NH2+]CC1 ZINC001246003234 945311374 /nfs/dbraw/zinc/31/13/74/945311374.db2.gz QGOHCXJJRQVATE-HOCLYGCPSA-N 2 3 313.442 0.012 20 0 DCADHP CCOC(=O)C[C@H](NC[C@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246003234 945311382 /nfs/dbraw/zinc/31/13/82/945311382.db2.gz QGOHCXJJRQVATE-HOCLYGCPSA-N 2 3 313.442 0.012 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]CC[C@@H]3C)C[C@H](C1)N2 ZINC001246113223 945338972 /nfs/dbraw/zinc/33/89/72/945338972.db2.gz PTQPYECWBRZUIY-AAYXSNKBSA-N 2 3 309.454 0.894 20 0 DCADHP c1cncc(CC2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246421685 945406993 /nfs/dbraw/zinc/40/69/93/945406993.db2.gz NNLIAKZMIPUKMU-INIZCTEOSA-N 2 3 315.465 0.430 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3C[C@H](C)N[C@@H](C)C3)C[C@H]1C2 ZINC001246856523 945504984 /nfs/dbraw/zinc/50/49/84/945504984.db2.gz FASGTWHVUMVOBU-RKFGVOBISA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3C[C@H](C)N[C@@H](C)C3)C[C@H]1C2 ZINC001246856523 945504990 /nfs/dbraw/zinc/50/49/90/945504990.db2.gz FASGTWHVUMVOBU-RKFGVOBISA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCNC(C)(C)C3)C[C@H]1C2 ZINC001246859047 945506424 /nfs/dbraw/zinc/50/64/24/945506424.db2.gz NJSLPKPBZFFWBZ-NSIVTLKISA-N 2 3 321.465 0.848 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCNC(C)(C)C3)C[C@H]1C2 ZINC001246859047 945506433 /nfs/dbraw/zinc/50/64/33/945506433.db2.gz NJSLPKPBZFFWBZ-NSIVTLKISA-N 2 3 321.465 0.848 20 0 DCADHP CCOC(=O)[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010017 945541882 /nfs/dbraw/zinc/54/18/82/945541882.db2.gz UPSBAHWFPOZOGP-YDHLFZDLSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@@H+](C2C[C@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010017 945541888 /nfs/dbraw/zinc/54/18/88/945541888.db2.gz UPSBAHWFPOZOGP-YDHLFZDLSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@H+](C2C[C@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010017 945541896 /nfs/dbraw/zinc/54/18/96/945541896.db2.gz UPSBAHWFPOZOGP-YDHLFZDLSA-N 2 3 309.454 0.990 20 0 DCADHP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366716 396922856 /nfs/dbraw/zinc/92/28/56/396922856.db2.gz DVOICFACCJIXCL-LSDHHAIUSA-N 2 3 308.470 0.648 20 0 DCADHP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366716 396922861 /nfs/dbraw/zinc/92/28/61/396922861.db2.gz DVOICFACCJIXCL-LSDHHAIUSA-N 2 3 308.470 0.648 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000665289744 418191491 /nfs/dbraw/zinc/19/14/91/418191491.db2.gz WGYIJGIHIFKBIY-ZBFHGGJFSA-N 2 3 310.486 0.955 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286911 418397377 /nfs/dbraw/zinc/39/73/77/418397377.db2.gz TXFZNCYTBUPVBL-JJXSEGSLSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286911 418397379 /nfs/dbraw/zinc/39/73/79/418397379.db2.gz TXFZNCYTBUPVBL-JJXSEGSLSA-N 2 3 309.454 0.726 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC[NH3+] ZINC000418527116 262281751 /nfs/dbraw/zinc/28/17/51/262281751.db2.gz NPQFFLOJOYWGHH-OAHLLOKOSA-N 2 3 313.490 0.783 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC[NH3+] ZINC000418527116 262281752 /nfs/dbraw/zinc/28/17/52/262281752.db2.gz NPQFFLOJOYWGHH-OAHLLOKOSA-N 2 3 313.490 0.783 20 0 DCADHP CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000418712872 271249805 /nfs/dbraw/zinc/24/98/05/271249805.db2.gz OJYMSYQEZPFYAQ-LSDHHAIUSA-N 2 3 313.490 0.781 20 0 DCADHP CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000418712872 271249808 /nfs/dbraw/zinc/24/98/08/271249808.db2.gz OJYMSYQEZPFYAQ-LSDHHAIUSA-N 2 3 313.490 0.781 20 0 DCADHP CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000418712870 271250775 /nfs/dbraw/zinc/25/07/75/271250775.db2.gz OJYMSYQEZPFYAQ-GJZGRUSLSA-N 2 3 313.490 0.781 20 0 DCADHP CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000418712870 271250779 /nfs/dbraw/zinc/25/07/79/271250779.db2.gz OJYMSYQEZPFYAQ-GJZGRUSLSA-N 2 3 313.490 0.781 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)C1 ZINC000903763819 663480400 /nfs/dbraw/zinc/48/04/00/663480400.db2.gz NKCUKEPLQXPVBS-VQHPVUNQSA-N 2 3 311.470 0.661 20 0 DCADHP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000904444458 663514589 /nfs/dbraw/zinc/51/45/89/663514589.db2.gz NCBUFLTZEJMIPU-AWEZNQCLSA-N 2 3 310.486 0.881 20 0 DCADHP CC(C)CC[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144472 668567036 /nfs/dbraw/zinc/56/70/36/668567036.db2.gz NNJSYMTVNUEMEC-BZUAXINKSA-N 2 3 312.502 0.948 20 0 DCADHP C[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001578525139 1165042725 /nfs/dbraw/zinc/04/27/25/1165042725.db2.gz RXYIPEDCRCHPMD-CVEARBPZSA-N 2 3 322.497 0.908 20 0 DCADHP CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148655391 768025246 /nfs/dbraw/zinc/02/52/46/768025246.db2.gz AMSVKERSCGXRLI-UHFFFAOYSA-N 2 3 319.413 0.669 20 0 DCADHP C[C@H](Nc1cccc(N2CCC([NH3+])CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159498947 771919412 /nfs/dbraw/zinc/91/94/12/771919412.db2.gz NHSNALOXEMXWKU-GXTWGEPZSA-N 2 3 305.426 0.798 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424077 772221649 /nfs/dbraw/zinc/22/16/49/772221649.db2.gz XYQGUXONZDIZRK-MRXNPFEDSA-N 2 3 304.438 0.833 20 0 DCADHP CN(C)CCN(C(=O)C12CCC([NH3+])(CC1)C2)[C@@H]1CCC[NH2+]C1 ZINC001161449680 772225374 /nfs/dbraw/zinc/22/53/74/772225374.db2.gz PMAWZFPLGRFEKB-ODIFPOPNSA-N 2 3 308.470 0.790 20 0 DCADHP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H](N)CSc1ccccc1 ZINC001220103269 774693821 /nfs/dbraw/zinc/69/38/21/774693821.db2.gz MZNRELXSQCXTAT-GFCCVEGCSA-N 2 3 323.466 0.957 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCCOC1CC[NH2+]CC1 ZINC001245980100 945306097 /nfs/dbraw/zinc/30/60/97/945306097.db2.gz MKWIHGUUMPHRKC-ZWKOTPCHSA-N 2 3 321.465 0.666 20 0 DCADHP O[C@@]1(CNCC2(c3ccccn3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246007083 945313031 /nfs/dbraw/zinc/31/30/31/945313031.db2.gz MYPVSLKFGZJKCD-KRWDZBQOSA-N 2 3 304.438 0.407 20 0 DCADHP O[C@@]1(C[NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCCNC1 ZINC001246007083 945313041 /nfs/dbraw/zinc/31/30/41/945313041.db2.gz MYPVSLKFGZJKCD-KRWDZBQOSA-N 2 3 304.438 0.407 20 0 DCADHP CN1CCC([N@H+](CC2(O)CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001246059195 945330427 /nfs/dbraw/zinc/33/04/27/945330427.db2.gz NEUYCPUVFNXQQL-UHFFFAOYSA-N 2 3 310.486 0.249 20 0 DCADHP CN1CCC([N@@H+](CC2(O)CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001246059195 945330434 /nfs/dbraw/zinc/33/04/34/945330434.db2.gz NEUYCPUVFNXQQL-UHFFFAOYSA-N 2 3 310.486 0.249 20 0 DCADHP O[C@@H](C[N@H+](C1CCC1)C1CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001246071213 945333037 /nfs/dbraw/zinc/33/30/37/945333037.db2.gz RDSWNWUTLNLKOM-MRXNPFEDSA-N 2 3 311.470 0.458 20 0 DCADHP O[C@@H](C[N@@H+](C1CCC1)C1CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001246071213 945333046 /nfs/dbraw/zinc/33/30/46/945333046.db2.gz RDSWNWUTLNLKOM-MRXNPFEDSA-N 2 3 311.470 0.458 20 0 DCADHP O[C@@H](CN(C1CCC1)C1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246071213 945333055 /nfs/dbraw/zinc/33/30/55/945333055.db2.gz RDSWNWUTLNLKOM-MRXNPFEDSA-N 2 3 311.470 0.458 20 0 DCADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246143894 945346587 /nfs/dbraw/zinc/34/65/87/945346587.db2.gz JWPULZFZMSGVSD-ZMSDIMECSA-N 2 3 309.454 0.646 20 0 DCADHP COCCC[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246151253 945348886 /nfs/dbraw/zinc/34/88/86/945348886.db2.gz WVWHNJKCXZFXBA-KRWDZBQOSA-N 2 3 324.513 0.951 20 0 DCADHP CCOC(=O)[C@H]1CC[C@H](NCCC[NH2+]CCCC[NH3+])CO1 ZINC001246456688 945412838 /nfs/dbraw/zinc/41/28/38/945412838.db2.gz LGLRPQFMHIJFLB-UONOGXRCSA-N 2 3 301.431 0.405 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@@H](CC)C2)CCC12C[NH2+]C2 ZINC001247009555 945542903 /nfs/dbraw/zinc/54/29/03/945542903.db2.gz RSGVPJXBSRAYEX-KKUMJFAQSA-N 2 3 309.454 0.992 20 0 DCADHP CN(CCC[NH3+])C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000564585521 396846028 /nfs/dbraw/zinc/84/60/28/396846028.db2.gz LMSVACMGVJDGCB-UHFFFAOYSA-N 2 3 311.474 0.535 20 0 DCADHP [NH3+]C1CCN(c2cccc(NC[C@]34C[NH2+]C[C@H]3COC4)n2)CC1 ZINC001155515269 770531234 /nfs/dbraw/zinc/53/12/34/770531234.db2.gz AXNHIXDVPGEWHV-GUYCJALGSA-N 2 3 317.437 0.657 20 0 DCADHP O=C(N1CC2(C1)CC[N@H+](CC1CC1)C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159292435 771891041 /nfs/dbraw/zinc/89/10/41/771891041.db2.gz XFDOZIKGAXZKRK-CRAIPNDOSA-N 2 3 318.465 0.130 20 0 DCADHP O=C(N1CC2(C1)CC[N@@H+](CC1CC1)C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159292435 771891046 /nfs/dbraw/zinc/89/10/46/771891046.db2.gz XFDOZIKGAXZKRK-CRAIPNDOSA-N 2 3 318.465 0.130 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC2)CC1 ZINC001160991698 772146397 /nfs/dbraw/zinc/14/63/97/772146397.db2.gz FLQKFJZDMGLWEG-OAHLLOKOSA-N 2 3 308.470 0.648 20 0 DCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175278 772181141 /nfs/dbraw/zinc/18/11/41/772181141.db2.gz KDZPRBUGEZJFTL-XHSDSOJGSA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175278 772181145 /nfs/dbraw/zinc/18/11/45/772181145.db2.gz KDZPRBUGEZJFTL-XHSDSOJGSA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175278 772181148 /nfs/dbraw/zinc/18/11/48/772181148.db2.gz KDZPRBUGEZJFTL-XHSDSOJGSA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175278 772181152 /nfs/dbraw/zinc/18/11/52/772181152.db2.gz KDZPRBUGEZJFTL-XHSDSOJGSA-N 2 3 320.481 0.661 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386894 772215844 /nfs/dbraw/zinc/21/58/44/772215844.db2.gz MUNMDPQHGFKMFC-ZDUSSCGKSA-N 2 3 309.389 0.372 20 0 DCADHP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219816503 774618957 /nfs/dbraw/zinc/61/89/57/774618957.db2.gz MTGQHZHPGTVMDO-XLMAVXFVSA-N 2 3 314.433 0.405 20 0 DCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001220716335 774900773 /nfs/dbraw/zinc/90/07/73/774900773.db2.gz DUTZOOPOXSXZCY-WVCIDPQESA-N 2 3 306.454 0.317 20 0 DCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001220716335 774900778 /nfs/dbraw/zinc/90/07/78/774900778.db2.gz DUTZOOPOXSXZCY-WVCIDPQESA-N 2 3 306.454 0.317 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124189 775000677 /nfs/dbraw/zinc/00/06/77/775000677.db2.gz ZEAZYUCTWRPESN-AWEZNQCLSA-N 2 3 305.426 0.233 20 0 DCADHP CCOC(=O)C[C@H]([NH2+]C[C@@]1(O)CCCNC1)C1CC[NH2+]CC1 ZINC001246003231 945312517 /nfs/dbraw/zinc/31/25/17/945312517.db2.gz QGOHCXJJRQVATE-GOEBONIOSA-N 2 3 313.442 0.012 20 0 DCADHP CCOC(=O)C[C@H](NC[C@@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246003231 945312524 /nfs/dbraw/zinc/31/25/24/945312524.db2.gz QGOHCXJJRQVATE-GOEBONIOSA-N 2 3 313.442 0.012 20 0 DCADHP O[C@@]1(C[NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCCNC1 ZINC001246004795 945312122 /nfs/dbraw/zinc/31/21/22/945312122.db2.gz HZLYRYRYYBYESC-SFHVURJKSA-N 2 3 318.465 0.698 20 0 DCADHP COCCC[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246151254 945349197 /nfs/dbraw/zinc/34/91/97/945349197.db2.gz WVWHNJKCXZFXBA-QGZVFWFLSA-N 2 3 324.513 0.951 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632177 945446940 /nfs/dbraw/zinc/44/69/40/945446940.db2.gz ZYPQJPXQXSOWHT-KYJSFNMBSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632177 945446942 /nfs/dbraw/zinc/44/69/42/945446942.db2.gz ZYPQJPXQXSOWHT-KYJSFNMBSA-N 2 3 318.465 0.320 20 0 DCADHP CCOC(=O)[C@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010011 945543181 /nfs/dbraw/zinc/54/31/81/945543181.db2.gz UPSBAHWFPOZOGP-LXTVHRRPSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010011 945543185 /nfs/dbraw/zinc/54/31/85/945543185.db2.gz UPSBAHWFPOZOGP-LXTVHRRPSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010011 945543189 /nfs/dbraw/zinc/54/31/89/945543189.db2.gz UPSBAHWFPOZOGP-LXTVHRRPSA-N 2 3 309.454 0.990 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418520752 262280833 /nfs/dbraw/zinc/28/08/33/262280833.db2.gz HNTBDQUSUOXMLT-GJZGRUSLSA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418520752 262280835 /nfs/dbraw/zinc/28/08/35/262280835.db2.gz HNTBDQUSUOXMLT-GJZGRUSLSA-N 2 3 313.490 0.781 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662283689 546376140 /nfs/dbraw/zinc/37/61/40/546376140.db2.gz JNBZBIWIKMHUNN-UGUYLWEFSA-N 2 3 309.454 0.868 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662283689 546376142 /nfs/dbraw/zinc/37/61/42/546376142.db2.gz JNBZBIWIKMHUNN-UGUYLWEFSA-N 2 3 309.454 0.868 20 0 DCADHP CC[N@@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925858094 661346143 /nfs/dbraw/zinc/34/61/43/661346143.db2.gz XOOYFICBVNOSKY-ZNMIVQPWSA-N 2 3 309.454 0.992 20 0 DCADHP CC[N@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925858094 661346145 /nfs/dbraw/zinc/34/61/45/661346145.db2.gz XOOYFICBVNOSKY-ZNMIVQPWSA-N 2 3 309.454 0.992 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000903739970 663478841 /nfs/dbraw/zinc/47/88/41/663478841.db2.gz BSRPNOGIPSKFGL-YESZJQIVSA-N 2 3 322.497 0.956 20 0 DCADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162597 771732457 /nfs/dbraw/zinc/73/24/57/771732457.db2.gz YPFFEYOZSRAPRO-RHSMWYFYSA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162597 771732461 /nfs/dbraw/zinc/73/24/61/771732461.db2.gz YPFFEYOZSRAPRO-RHSMWYFYSA-N 2 3 306.454 0.605 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158328416 771760339 /nfs/dbraw/zinc/76/03/39/771760339.db2.gz ZYXIDQOSGFTPAM-YESZJQIVSA-N 2 3 316.449 0.801 20 0 DCADHP N[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001160461644 772044118 /nfs/dbraw/zinc/04/41/18/772044118.db2.gz VBQDWIOUBDYBRN-HOTGVXAUSA-N 2 3 308.470 0.790 20 0 DCADHP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC(F)(F)C1 ZINC001160969330 772144187 /nfs/dbraw/zinc/14/41/87/772144187.db2.gz ZJXMVIXQDBPMDL-WDEREUQCSA-N 2 3 302.369 0.056 20 0 DCADHP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC(F)(F)C1 ZINC001160969330 772144188 /nfs/dbraw/zinc/14/41/88/772144188.db2.gz ZJXMVIXQDBPMDL-WDEREUQCSA-N 2 3 302.369 0.056 20 0 DCADHP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC(F)(F)C1 ZINC001160969327 772144212 /nfs/dbraw/zinc/14/42/12/772144212.db2.gz ZJXMVIXQDBPMDL-QWRGUYRKSA-N 2 3 302.369 0.056 20 0 DCADHP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC(F)(F)C1 ZINC001160969327 772144213 /nfs/dbraw/zinc/14/42/13/772144213.db2.gz ZJXMVIXQDBPMDL-QWRGUYRKSA-N 2 3 302.369 0.056 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592255 772250083 /nfs/dbraw/zinc/25/00/83/772250083.db2.gz JXYUYVZAOZNOHC-HNNXBMFYSA-N 2 3 302.422 0.674 20 0 DCADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001218898310 774323443 /nfs/dbraw/zinc/32/34/43/774323443.db2.gz MYILQBRDEHSZEG-CQSZACIVSA-N 2 3 302.422 0.670 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316847 774769165 /nfs/dbraw/zinc/76/91/65/774769165.db2.gz UBCRLNUDIHLONV-IJEWVQPXSA-N 2 3 312.458 0.073 20 0 DCADHP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220919140 774951833 /nfs/dbraw/zinc/95/18/33/774951833.db2.gz VLPZSRAFJSJLAA-UKRRQHHQSA-N 2 3 306.454 0.319 20 0 DCADHP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220919140 774951837 /nfs/dbraw/zinc/95/18/37/774951837.db2.gz VLPZSRAFJSJLAA-UKRRQHHQSA-N 2 3 306.454 0.319 20 0 DCADHP C(C1CCOCC1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358636 945390823 /nfs/dbraw/zinc/39/08/23/945390823.db2.gz AFUGXJDWHARHCN-QGZVFWFLSA-N 2 3 322.497 0.561 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1C[C@H](C)N[C@@H](C)C1)C2 ZINC001246665577 945456754 /nfs/dbraw/zinc/45/67/54/945456754.db2.gz CILZJWKUXZIIPO-RKFGVOBISA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C1C[C@H](C)N[C@@H](C)C1)C2 ZINC001246665577 945456758 /nfs/dbraw/zinc/45/67/58/945456758.db2.gz CILZJWKUXZIIPO-RKFGVOBISA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)C[C@H]1C2 ZINC001246856525 945503175 /nfs/dbraw/zinc/50/31/75/945503175.db2.gz FASGTWHVUMVOBU-VDTQWGJQSA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)C[C@H]1C2 ZINC001246856525 945503180 /nfs/dbraw/zinc/50/31/80/945503180.db2.gz FASGTWHVUMVOBU-VDTQWGJQSA-N 2 3 321.465 0.846 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358503298 416244089 /nfs/dbraw/zinc/24/40/89/416244089.db2.gz FCNNOHSBSNZTHL-UHFFFAOYSA-N 2 3 308.470 0.662 20 0 DCADHP C[C@@H](C[C@@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009911 417557110 /nfs/dbraw/zinc/55/71/10/417557110.db2.gz IGCGEJGRZUJCAX-UONOGXRCSA-N 2 3 305.426 0.670 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418417310 262276783 /nfs/dbraw/zinc/27/67/83/262276783.db2.gz TWCGLGVTKKIOKE-AWEZNQCLSA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418417310 262276785 /nfs/dbraw/zinc/27/67/85/262276785.db2.gz TWCGLGVTKKIOKE-AWEZNQCLSA-N 2 3 313.490 0.781 20 0 DCADHP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891462460 658880619 /nfs/dbraw/zinc/88/06/19/658880619.db2.gz RGIOLWDJQQEPLW-KBPBESRZSA-N 2 3 323.485 0.676 20 0 DCADHP CN(C)C1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000870019022 667698594 /nfs/dbraw/zinc/69/85/94/667698594.db2.gz MRUUNTZOYGHVTL-HUUCEWRRSA-N 2 3 310.486 0.669 20 0 DCADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC001772537309 1157546945 /nfs/dbraw/zinc/54/69/45/1157546945.db2.gz JDQPIZTZXTUHHM-HOTGVXAUSA-N 2 3 309.454 0.600 20 0 DCADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC001772537309 1157546948 /nfs/dbraw/zinc/54/69/48/1157546948.db2.gz JDQPIZTZXTUHHM-HOTGVXAUSA-N 2 3 309.454 0.600 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001579397466 1165298074 /nfs/dbraw/zinc/29/80/74/1165298074.db2.gz YGIVYFPZHMQHEE-KKUMJFAQSA-N 2 3 313.490 0.828 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001579397466 1165298077 /nfs/dbraw/zinc/29/80/77/1165298077.db2.gz YGIVYFPZHMQHEE-KKUMJFAQSA-N 2 3 313.490 0.828 20 0 DCADHP [NH3+]CC1CN([C@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)C1 ZINC001236079512 769977558 /nfs/dbraw/zinc/97/75/58/769977558.db2.gz NUSHOQYFVYTUCM-INIZCTEOSA-N 2 3 303.454 0.446 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2CF)CC1 ZINC001158568423 771790549 /nfs/dbraw/zinc/79/05/49/771790549.db2.gz PHDKMDLQJJMREO-MCIONIFRSA-N 2 3 324.444 0.396 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2CF)CC1 ZINC001158568423 771790553 /nfs/dbraw/zinc/79/05/53/771790553.db2.gz PHDKMDLQJJMREO-MCIONIFRSA-N 2 3 324.444 0.396 20 0 DCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050358 772159533 /nfs/dbraw/zinc/15/95/33/772159533.db2.gz MDSCSGPBKONLIG-HUUCEWRRSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050358 772159535 /nfs/dbraw/zinc/15/95/35/772159535.db2.gz MDSCSGPBKONLIG-HUUCEWRRSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050358 772159538 /nfs/dbraw/zinc/15/95/38/772159538.db2.gz MDSCSGPBKONLIG-HUUCEWRRSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050358 772159539 /nfs/dbraw/zinc/15/95/39/772159539.db2.gz MDSCSGPBKONLIG-HUUCEWRRSA-N 2 3 308.470 0.802 20 0 DCADHP COc1cc(N(C(=O)[C@H](N)CCC[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161385592 772215005 /nfs/dbraw/zinc/21/50/05/772215005.db2.gz FMHYIOQCAMGGIX-CQSZACIVSA-N 2 3 321.425 0.241 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580011 772248899 /nfs/dbraw/zinc/24/88/99/772248899.db2.gz PURIUUCMSVSAKL-MRXNPFEDSA-N 2 3 316.449 0.716 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640843 774270158 /nfs/dbraw/zinc/27/01/58/774270158.db2.gz MECFCXPOYKMKRI-AWEZNQCLSA-N 2 3 308.430 0.462 20 0 DCADHP Nc1cn(C(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)ccc1=[NH2+] ZINC001218691043 774280701 /nfs/dbraw/zinc/28/07/01/774280701.db2.gz DXPZQRVHGCIBCY-GFCCVEGCSA-N 2 3 303.410 0.654 20 0 DCADHP Nc1cn(C(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)ccc1=[NH2+] ZINC001218691043 774280705 /nfs/dbraw/zinc/28/07/05/774280705.db2.gz DXPZQRVHGCIBCY-GFCCVEGCSA-N 2 3 303.410 0.654 20 0 DCADHP Nc1c(F)cccc1N(C(=O)[C@@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001219280907 774433921 /nfs/dbraw/zinc/43/39/21/774433921.db2.gz QRYRUEDPDABURL-ZDUSSCGKSA-N 2 3 323.416 0.559 20 0 DCADHP CN[C@@H](CCCC[NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022650 774673544 /nfs/dbraw/zinc/67/35/44/774673544.db2.gz KICBWZTWDZKNIL-UWVGGRQHSA-N 2 3 311.455 0.202 20 0 DCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1(C)C ZINC001220511489 774829043 /nfs/dbraw/zinc/82/90/43/774829043.db2.gz ZLDGOTBLROQUPI-FZKQIMNGSA-N 2 3 322.497 0.953 20 0 DCADHP N[C@@H](C(=O)N1CCC([NH3+])(CC2CCC2)CC1)C1CC[NH2+]CC1 ZINC001220973431 774966096 /nfs/dbraw/zinc/96/60/96/774966096.db2.gz WEVNAAOEEQYHBV-OAHLLOKOSA-N 2 3 308.470 0.823 20 0 DCADHP COCCC1([NH3+])CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221134376 775003618 /nfs/dbraw/zinc/00/36/18/775003618.db2.gz XVLAJNCCFJIHTJ-AWEZNQCLSA-N 2 3 324.469 0.217 20 0 DCADHP COCCC1([NH3+])CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221134376 775003627 /nfs/dbraw/zinc/00/36/27/775003627.db2.gz XVLAJNCCFJIHTJ-AWEZNQCLSA-N 2 3 324.469 0.217 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+](CC3CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125182 775281514 /nfs/dbraw/zinc/28/15/14/775281514.db2.gz HAMJVJHFKZBIQH-RDJZCZTQSA-N 2 3 309.454 0.851 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125182 775281521 /nfs/dbraw/zinc/28/15/21/775281521.db2.gz HAMJVJHFKZBIQH-RDJZCZTQSA-N 2 3 309.454 0.851 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]C[C@H](C)C3)C[C@H](C1)N2 ZINC001246096152 945338151 /nfs/dbraw/zinc/33/81/51/945338151.db2.gz DCUAJZRLYDHRSI-ARDFGAEDSA-N 2 3 309.454 0.894 20 0 DCADHP O=C1CN(C2CCC3(CC[NH2+]C3)CC2)CC2(CC[NH2+]CC2)N1 ZINC001246622972 945444373 /nfs/dbraw/zinc/44/43/73/945444373.db2.gz ATYDAJPUYJAGCB-UHFFFAOYSA-N 2 3 306.454 0.463 20 0 DCADHP O=C1NCC[C@@]12C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631843 945447016 /nfs/dbraw/zinc/44/70/16/945447016.db2.gz XIVCGFWPJZPSDZ-RDTXWAMCSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@@]12C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631843 945447021 /nfs/dbraw/zinc/44/70/21/945447021.db2.gz XIVCGFWPJZPSDZ-RDTXWAMCSA-N 2 3 318.465 0.320 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005786 945540577 /nfs/dbraw/zinc/54/05/77/945540577.db2.gz GNXUPTNVZMUITA-KGLIPLIRSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005786 945540581 /nfs/dbraw/zinc/54/05/81/945540581.db2.gz GNXUPTNVZMUITA-KGLIPLIRSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005786 945540584 /nfs/dbraw/zinc/54/05/84/945540584.db2.gz GNXUPTNVZMUITA-KGLIPLIRSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005787 945540877 /nfs/dbraw/zinc/54/08/77/945540877.db2.gz GNXUPTNVZMUITA-UONOGXRCSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005787 945540878 /nfs/dbraw/zinc/54/08/78/945540878.db2.gz GNXUPTNVZMUITA-UONOGXRCSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005787 945540884 /nfs/dbraw/zinc/54/08/84/945540884.db2.gz GNXUPTNVZMUITA-UONOGXRCSA-N 2 3 309.454 0.992 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000579230700 397537728 /nfs/dbraw/zinc/53/77/28/397537728.db2.gz SWZCTKQVIBHZTF-HRCADAONSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000579230700 397537732 /nfs/dbraw/zinc/53/77/32/397537732.db2.gz SWZCTKQVIBHZTF-HRCADAONSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000579230700 397537734 /nfs/dbraw/zinc/53/77/34/397537734.db2.gz SWZCTKQVIBHZTF-HRCADAONSA-N 2 3 308.470 0.566 20 0 DCADHP CC(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517425 417789133 /nfs/dbraw/zinc/78/91/33/417789133.db2.gz DTOSVQZLXGSFDL-USTZCAOPSA-N 3 3 306.498 0.705 20 0 DCADHP CC(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517425 417789141 /nfs/dbraw/zinc/78/91/41/417789141.db2.gz DTOSVQZLXGSFDL-USTZCAOPSA-N 3 3 306.498 0.705 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000903445280 663455374 /nfs/dbraw/zinc/45/53/74/663455374.db2.gz HURDALJXGGSGDS-WCVJEAGWSA-N 2 3 308.470 0.422 20 0 DCADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903746115 663476863 /nfs/dbraw/zinc/47/68/63/663476863.db2.gz FNXFXINMISOYMN-YQQAZPJKSA-N 2 3 324.469 0.075 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903959780 663497973 /nfs/dbraw/zinc/49/79/73/663497973.db2.gz OEBSWCOTLRWPBC-WBVHZDCISA-N 2 3 308.470 0.649 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903959780 663497974 /nfs/dbraw/zinc/49/79/74/663497974.db2.gz OEBSWCOTLRWPBC-WBVHZDCISA-N 2 3 308.470 0.649 20 0 DCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)C1 ZINC001221408561 747979830 /nfs/dbraw/zinc/97/98/30/747979830.db2.gz QJASOCUJXWFZMY-RWMBFGLXSA-N 2 3 302.488 0.241 20 0 DCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)C1 ZINC001221408561 747979835 /nfs/dbraw/zinc/97/98/35/747979835.db2.gz QJASOCUJXWFZMY-RWMBFGLXSA-N 2 3 302.488 0.241 20 0 DCADHP [NH3+][C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC(F)(F)C1 ZINC001160969311 772144218 /nfs/dbraw/zinc/14/42/18/772144218.db2.gz ZJXMVIXQDBPMDL-GHMZBOCLSA-N 2 3 302.369 0.056 20 0 DCADHP [NH3+][C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC(F)(F)C1 ZINC001160969311 772144220 /nfs/dbraw/zinc/14/42/20/772144220.db2.gz ZJXMVIXQDBPMDL-GHMZBOCLSA-N 2 3 302.369 0.056 20 0 DCADHP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC001205146404 772980253 /nfs/dbraw/zinc/98/02/53/772980253.db2.gz UPZUVGOIQIKDPE-GOEBONIOSA-N 2 3 303.454 0.860 20 0 DCADHP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC001205146404 772980256 /nfs/dbraw/zinc/98/02/56/772980256.db2.gz UPZUVGOIQIKDPE-GOEBONIOSA-N 2 3 303.454 0.860 20 0 DCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1(C)C ZINC001220510508 774829294 /nfs/dbraw/zinc/82/92/94/774829294.db2.gz GJVWMEUCVQPNTH-ZDUSSCGKSA-N 2 3 308.470 0.563 20 0 DCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001220905383 774949046 /nfs/dbraw/zinc/94/90/46/774949046.db2.gz VDXZVFNDQVJAAI-HNNXBMFYSA-N 2 3 324.494 0.556 20 0 DCADHP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221365688 775077784 /nfs/dbraw/zinc/07/77/84/775077784.db2.gz HFTYLFBTAOOLKC-BPLDGKMQSA-N 2 3 312.433 0.267 20 0 DCADHP COc1ccccc1C1(CNC[C@@]2(O)CC[NH2+]C2)CC[NH2+]CC1 ZINC001246004762 945312243 /nfs/dbraw/zinc/31/22/43/945312243.db2.gz HIDSEUBBPVKKQT-GOSISDBHSA-N 2 3 319.449 0.630 20 0 DCADHP CN(C)CC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276658561 944250830 /nfs/dbraw/zinc/25/08/30/944250830.db2.gz QBOZADKAWCSYFV-HUUCEWRRSA-N 2 3 322.497 0.716 20 0 DCADHP CN(C)CC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276658561 944250842 /nfs/dbraw/zinc/25/08/42/944250842.db2.gz QBOZADKAWCSYFV-HUUCEWRRSA-N 2 3 322.497 0.716 20 0 DCADHP c1ccc(C2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246431186 945409953 /nfs/dbraw/zinc/40/99/53/945409953.db2.gz SJRLCBPHYREUPH-INIZCTEOSA-N 2 3 300.450 0.949 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@@H]3CCOC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246496763 945419044 /nfs/dbraw/zinc/41/90/44/945419044.db2.gz VQYXJGHNQXKORI-OAHLLOKOSA-N 2 3 304.438 0.549 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1C[C@@H](C)N[C@H](C)C1)C2 ZINC001246665574 945456431 /nfs/dbraw/zinc/45/64/31/945456431.db2.gz CILZJWKUXZIIPO-QRJTWQJVSA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C1C[C@@H](C)N[C@H](C)C1)C2 ZINC001246665574 945456434 /nfs/dbraw/zinc/45/64/34/945456434.db2.gz CILZJWKUXZIIPO-QRJTWQJVSA-N 2 3 321.465 0.846 20 0 DCADHP C[NH2+]CC[C@H](C)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246942148 945521995 /nfs/dbraw/zinc/52/19/95/945521995.db2.gz NGDDWHXZUXYTJI-INIZCTEOSA-N 2 3 312.502 0.618 20 0 DCADHP CN(C)CCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273711729 948040060 /nfs/dbraw/zinc/04/00/60/948040060.db2.gz GQMYJRPVJUYOOZ-OAHLLOKOSA-N 2 3 310.486 0.718 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420330218 240023768 /nfs/dbraw/zinc/02/37/68/240023768.db2.gz PQHSZRXTKJYJDO-HZPDHXFCSA-N 2 3 322.497 0.908 20 0 DCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991510 417553637 /nfs/dbraw/zinc/55/36/37/417553637.db2.gz HLMKCLNHQFWQSK-ARFHVFGLSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991510 417553641 /nfs/dbraw/zinc/55/36/41/417553641.db2.gz HLMKCLNHQFWQSK-ARFHVFGLSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](C[NH3+])CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991510 417553645 /nfs/dbraw/zinc/55/36/45/417553645.db2.gz HLMKCLNHQFWQSK-ARFHVFGLSA-N 2 3 310.486 0.798 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286909 418396747 /nfs/dbraw/zinc/39/67/47/418396747.db2.gz TXFZNCYTBUPVBL-FPCVCCKLSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286909 418396749 /nfs/dbraw/zinc/39/67/49/418396749.db2.gz TXFZNCYTBUPVBL-FPCVCCKLSA-N 2 3 309.454 0.726 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)CC1 ZINC001160993608 772147064 /nfs/dbraw/zinc/14/70/64/772147064.db2.gz YWZNMQJPMYIBBD-CQSZACIVSA-N 2 3 306.454 0.130 20 0 DCADHP [NH3+][C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CC[NH2+]CC1 ZINC001219027915 774350321 /nfs/dbraw/zinc/35/03/21/774350321.db2.gz IAWUAQVSFWEBST-OAHLLOKOSA-N 2 3 304.394 0.434 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233819 774417458 /nfs/dbraw/zinc/41/74/58/774417458.db2.gz WZMBDCADZJNVTI-DOMZBBRYSA-N 2 3 305.426 0.619 20 0 DCADHP C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001219582593 774545053 /nfs/dbraw/zinc/54/50/53/774545053.db2.gz GKDOLYAEPZWCNY-KKUMJFAQSA-N 2 3 308.470 0.707 20 0 DCADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219610775 774555817 /nfs/dbraw/zinc/55/58/17/774555817.db2.gz RNKYPNCBPFGTPV-ZWNOBZJWSA-N 2 3 320.359 0.271 20 0 DCADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219610775 774555821 /nfs/dbraw/zinc/55/58/21/774555821.db2.gz RNKYPNCBPFGTPV-ZWNOBZJWSA-N 2 3 320.359 0.271 20 0 DCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001219943547 774653077 /nfs/dbraw/zinc/65/30/77/774653077.db2.gz NHMUHKWHZDKZMG-AWEZNQCLSA-N 2 3 310.467 0.384 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865739 774938881 /nfs/dbraw/zinc/93/88/81/774938881.db2.gz JHZADLVDWULOSH-HNNXBMFYSA-N 2 3 303.410 0.939 20 0 DCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221395276 775085250 /nfs/dbraw/zinc/08/52/50/775085250.db2.gz QKTHLTDMIQEWET-MJBXVCDLSA-N 2 3 316.515 0.775 20 0 DCADHP OC1(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]CC1 ZINC001246048307 945328013 /nfs/dbraw/zinc/32/80/13/945328013.db2.gz WPWIQJJLKFCRFH-AEFFLSMTSA-N 2 3 301.434 0.574 20 0 DCADHP C(N[C@H]1CCC2(C1)CC[NH2+]CC2)c1nnn2c1C[NH2+]CCC2 ZINC001246129079 945340455 /nfs/dbraw/zinc/34/04/55/945340455.db2.gz GCVDLXGRCUAYJR-ZDUSSCGKSA-N 2 3 304.442 0.783 20 0 DCADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246657574 945454575 /nfs/dbraw/zinc/45/45/75/945454575.db2.gz RNMUNYCDQAJKAQ-NHCYSSNCSA-N 2 3 307.385 0.918 20 0 DCADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246657574 945454579 /nfs/dbraw/zinc/45/45/79/945454579.db2.gz RNMUNYCDQAJKAQ-NHCYSSNCSA-N 2 3 307.385 0.918 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCN[C@@H](C)C1)C2 ZINC001246673582 945458515 /nfs/dbraw/zinc/45/85/15/945458515.db2.gz OYCUXBVQEKASQL-CXKHLATESA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCN[C@@H](C)C1)C2 ZINC001246673582 945458518 /nfs/dbraw/zinc/45/85/18/945458518.db2.gz OYCUXBVQEKASQL-CXKHLATESA-N 2 3 307.438 0.457 20 0 DCADHP CCOC(=O)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008628 945540024 /nfs/dbraw/zinc/54/00/24/945540024.db2.gz NNOATWJOXAIAMB-IXXDHKBRSA-N 2 3 307.438 0.744 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575749230 417545640 /nfs/dbraw/zinc/54/56/40/417545640.db2.gz NRISYCGEDCENEY-OAGGEKHMSA-N 2 3 308.470 0.505 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575749230 417545644 /nfs/dbraw/zinc/54/56/44/417545644.db2.gz NRISYCGEDCENEY-OAGGEKHMSA-N 2 3 308.470 0.505 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286910 418397277 /nfs/dbraw/zinc/39/72/77/418397277.db2.gz TXFZNCYTBUPVBL-FZKCQIBNSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286910 418397275 /nfs/dbraw/zinc/39/72/75/418397275.db2.gz TXFZNCYTBUPVBL-FZKCQIBNSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)C1 ZINC000662283690 546376080 /nfs/dbraw/zinc/37/60/80/546376080.db2.gz JNBZBIWIKMHUNN-WCVJEAGWSA-N 2 3 309.454 0.868 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)C1 ZINC000662283690 546376081 /nfs/dbraw/zinc/37/60/81/546376081.db2.gz JNBZBIWIKMHUNN-WCVJEAGWSA-N 2 3 309.454 0.868 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)CC1 ZINC001648968846 1158195080 /nfs/dbraw/zinc/19/50/80/1158195080.db2.gz LIBIKLXFPNVZTF-USXIJHARSA-N 2 3 320.481 0.802 20 0 DCADHP CC[NH+]1CCC(N2CCC(C(=O)NCC3C[NH2+]C3)CC2)CC1 ZINC001577768456 1164787222 /nfs/dbraw/zinc/78/72/22/1164787222.db2.gz YYLTWMMNYZSOLF-UHFFFAOYSA-N 2 3 308.470 0.518 20 0 DCADHP O=C1O[C@@H](CNC2CC[NH+](C3CC3)CC2)CC12CC[NH2+]CC2 ZINC001646285583 1172322334 /nfs/dbraw/zinc/32/23/34/1172322334.db2.gz MMPCSDUTZDBIOY-OAHLLOKOSA-N 2 3 307.438 0.888 20 0 DCADHP N[C@H](CCC[NH3+])Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170898490 766249512 /nfs/dbraw/zinc/24/95/12/766249512.db2.gz COUROSDAWLJRNU-KGLIPLIRSA-N 2 3 303.410 0.273 20 0 DCADHP CN(CCN1CC[NH2+]CC1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236083055 769979910 /nfs/dbraw/zinc/97/99/10/769979910.db2.gz MSFRBXURKRBEPZ-UHFFFAOYSA-N 2 3 317.481 0.433 20 0 DCADHP C[NH+](C)CCN(Cc1ccc2n1CCNC2)[C@@H]1CCC[NH2+]C1 ZINC001236933241 770024439 /nfs/dbraw/zinc/02/44/39/770024439.db2.gz PUEPXRIUBIBQHV-OAHLLOKOSA-N 2 3 305.470 0.707 20 0 DCADHP [NH3+]CCCC[NH2+]CCCNC(=S)NCCN1CCCCC1 ZINC001239395761 770216510 /nfs/dbraw/zinc/21/65/10/770216510.db2.gz SMACLXJTIZIYPK-UHFFFAOYSA-N 2 3 315.531 0.655 20 0 DCADHP C[C@H](Nc1cccc(N2CCC([NH3+])CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159498948 771919654 /nfs/dbraw/zinc/91/96/54/771919654.db2.gz NHSNALOXEMXWKU-JSGCOSHPSA-N 2 3 305.426 0.798 20 0 DCADHP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC(F)(F)C1 ZINC001160969324 772144323 /nfs/dbraw/zinc/14/43/23/772144323.db2.gz ZJXMVIXQDBPMDL-MNOVXSKESA-N 2 3 302.369 0.056 20 0 DCADHP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC(F)(F)C1 ZINC001160969324 772144324 /nfs/dbraw/zinc/14/43/24/772144324.db2.gz ZJXMVIXQDBPMDL-MNOVXSKESA-N 2 3 302.369 0.056 20 0 DCADHP CN(C)CCN(C(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2)[C@@H]1CCC[NH2+]C1 ZINC001161449834 772225103 /nfs/dbraw/zinc/22/51/03/772225103.db2.gz TYXPRBGYXASJLK-DGADGQDISA-N 2 3 308.470 0.502 20 0 DCADHP [NH3+]C[C@@]1(O)CCCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001205680845 773005874 /nfs/dbraw/zinc/00/58/74/773005874.db2.gz BZZBELSPZHRPPM-SFHVURJKSA-N 2 3 318.465 0.772 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219115392 774376049 /nfs/dbraw/zinc/37/60/49/774376049.db2.gz APEPJAVHTLBLIQ-HNNXBMFYSA-N 2 3 305.426 0.491 20 0 DCADHP [NH3+]Cc1ccccc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220855024 774936752 /nfs/dbraw/zinc/93/67/52/774936752.db2.gz JEEHDRYDWHLNDQ-OAHLLOKOSA-N 2 3 302.422 0.636 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982270 774968680 /nfs/dbraw/zinc/96/86/80/774968680.db2.gz BFKJSTRIFVREJH-AWEZNQCLSA-N 2 3 308.401 0.668 20 0 DCADHP O[C@]1(C[NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCCNC1 ZINC001246010324 945313317 /nfs/dbraw/zinc/31/33/17/945313317.db2.gz XANAQLBKIJFBRX-GOSISDBHSA-N 2 3 318.465 0.698 20 0 DCADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246120547 945338716 /nfs/dbraw/zinc/33/87/16/945338716.db2.gz MAQJETCGOCKQLG-ZWKOTPCHSA-N 2 3 302.466 0.845 20 0 DCADHP C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246135780 945342048 /nfs/dbraw/zinc/34/20/48/945342048.db2.gz VITJVRWFIJEXGJ-CJNGLKHVSA-N 2 3 304.442 0.783 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675987 945458202 /nfs/dbraw/zinc/45/82/02/945458202.db2.gz BRQZFVSXWYHGQB-JKQORVJESA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675987 945458204 /nfs/dbraw/zinc/45/82/04/945458204.db2.gz BRQZFVSXWYHGQB-JKQORVJESA-N 2 3 309.454 0.992 20 0 DCADHP C[NH2+]CC[C@@H](C)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246942150 945520543 /nfs/dbraw/zinc/52/05/43/945520543.db2.gz NGDDWHXZUXYTJI-MRXNPFEDSA-N 2 3 312.502 0.618 20 0 DCADHP Cc1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001246957234 945524824 /nfs/dbraw/zinc/52/48/24/945524824.db2.gz APSCRVZWKVWFFW-MRXNPFEDSA-N 2 3 301.438 0.606 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008636 945542521 /nfs/dbraw/zinc/54/25/21/945542521.db2.gz NNOATWJOXAIAMB-XGUBFFRZSA-N 2 3 307.438 0.744 20 0 DCADHP CCOC(=O)[C@@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247010881 945542821 /nfs/dbraw/zinc/54/28/21/945542821.db2.gz WKCJIFUZRIZHPS-IXXDHKBRSA-N 2 3 305.422 0.520 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000574385297 291691244 /nfs/dbraw/zinc/69/12/44/291691244.db2.gz WJMKQEZMMOISQM-GJZGRUSLSA-N 2 3 313.490 0.639 20 0 DCADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCNCCC12CCOCC2 ZINC000903819088 663487053 /nfs/dbraw/zinc/48/70/53/663487053.db2.gz ASOMJQOFSVNKQM-MRXNPFEDSA-N 2 3 323.481 0.990 20 0 DCADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCNCCC12CCOCC2 ZINC000903819088 663487058 /nfs/dbraw/zinc/48/70/58/663487058.db2.gz ASOMJQOFSVNKQM-MRXNPFEDSA-N 2 3 323.481 0.990 20 0 DCADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)nn1 ZINC000873242394 668067840 /nfs/dbraw/zinc/06/78/40/668067840.db2.gz BDMGTPJSRUONSD-XJKSGUPXSA-N 2 3 300.410 0.943 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)CC3CC([NH3+])C3)CC2)CC1 ZINC001578525031 1165043180 /nfs/dbraw/zinc/04/31/80/1165043180.db2.gz MMHSEDNXQPYPPW-UHFFFAOYSA-N 2 3 308.470 0.789 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158569378 764359522 /nfs/dbraw/zinc/35/95/22/764359522.db2.gz ZACJUBCCCHRNIK-IHRRRGAJSA-N 2 3 314.449 0.581 20 0 DCADHP N[C@@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC001161208195 768524191 /nfs/dbraw/zinc/52/41/91/768524191.db2.gz KUBFHZWEZPYBEU-MRXNPFEDSA-N 2 3 308.470 0.552 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001160696521 772098306 /nfs/dbraw/zinc/09/83/06/772098306.db2.gz WOMMORLJKAADAM-HZPDHXFCSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001160696521 772098313 /nfs/dbraw/zinc/09/83/13/772098313.db2.gz WOMMORLJKAADAM-HZPDHXFCSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001160696521 772098318 /nfs/dbraw/zinc/09/83/18/772098318.db2.gz WOMMORLJKAADAM-HZPDHXFCSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)[C@@H]1CCC[NH2+]C1 ZINC001161444049 772224475 /nfs/dbraw/zinc/22/44/75/772224475.db2.gz ASFDKNIKZQEZEG-KLHDSHLOSA-N 2 3 324.469 0.038 20 0 DCADHP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001219954346 774654862 /nfs/dbraw/zinc/65/48/62/774654862.db2.gz HCZBJLXNUYILMM-HNNXBMFYSA-N 2 3 308.470 0.851 20 0 DCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220220701 774738271 /nfs/dbraw/zinc/73/82/71/774738271.db2.gz BGJQQAKYYHSEDH-ZNMIVQPWSA-N 2 3 308.470 0.850 20 0 DCADHP O=C1NCC[C@]12C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001222520760 775376712 /nfs/dbraw/zinc/37/67/12/775376712.db2.gz JETMWUGQMWTOOZ-SFHVURJKSA-N 2 3 318.465 0.178 20 0 DCADHP O=C1NCC[C@]12C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001222520760 775376722 /nfs/dbraw/zinc/37/67/22/775376722.db2.gz JETMWUGQMWTOOZ-SFHVURJKSA-N 2 3 318.465 0.178 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984250 945305609 /nfs/dbraw/zinc/30/56/09/945305609.db2.gz ITWVMWTUNZNDCU-YESZJQIVSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984250 945305616 /nfs/dbraw/zinc/30/56/16/945305616.db2.gz ITWVMWTUNZNDCU-YESZJQIVSA-N 2 3 319.449 0.418 20 0 DCADHP O=C1CCC[C@@]2(C[NH2+]CCN([C@H]3CCC4(C3)CC[NH2+]CC4)C2)N1 ZINC001246653061 945454451 /nfs/dbraw/zinc/45/44/51/945454451.db2.gz QKXKRYVANASPPW-YJBOKZPZSA-N 2 3 320.481 0.853 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3C[C@@H](C)N[C@H](C)C3)C[C@H]1C2 ZINC001246856521 945503510 /nfs/dbraw/zinc/50/35/10/945503510.db2.gz FASGTWHVUMVOBU-QRJTWQJVSA-N 2 3 321.465 0.846 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3C[C@@H](C)N[C@H](C)C3)C[C@H]1C2 ZINC001246856521 945503516 /nfs/dbraw/zinc/50/35/16/945503516.db2.gz FASGTWHVUMVOBU-QRJTWQJVSA-N 2 3 321.465 0.846 20 0 DCADHP CN1CCC([N@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246985874 945537327 /nfs/dbraw/zinc/53/73/27/945537327.db2.gz AIEMFJPHYWABCE-KRWDZBQOSA-N 2 3 322.497 0.656 20 0 DCADHP CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246985874 945537334 /nfs/dbraw/zinc/53/73/34/945537334.db2.gz AIEMFJPHYWABCE-KRWDZBQOSA-N 2 3 322.497 0.656 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420330220 240021022 /nfs/dbraw/zinc/02/10/22/240021022.db2.gz PQHSZRXTKJYJDO-JKSUJKDBSA-N 2 3 322.497 0.908 20 0 DCADHP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000629591639 396802180 /nfs/dbraw/zinc/80/21/80/396802180.db2.gz LKCBLYIYYGFEKB-HZPDHXFCSA-N 2 3 309.454 0.598 20 0 DCADHP CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000423202404 416478324 /nfs/dbraw/zinc/47/83/24/416478324.db2.gz KNJQWMSRNLYPBO-IAGOWNOFSA-N 2 3 312.502 0.618 20 0 DCADHP CCOCCC[N@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000423202404 416478329 /nfs/dbraw/zinc/47/83/29/416478329.db2.gz KNJQWMSRNLYPBO-IAGOWNOFSA-N 2 3 312.502 0.618 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000656786487 418376399 /nfs/dbraw/zinc/37/63/99/418376399.db2.gz MXCLQQAPLLMHSH-DOTOQJQBSA-N 2 3 322.497 0.895 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418417311 262277122 /nfs/dbraw/zinc/27/71/22/262277122.db2.gz TWCGLGVTKKIOKE-CQSZACIVSA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418417311 262277123 /nfs/dbraw/zinc/27/71/23/262277123.db2.gz TWCGLGVTKKIOKE-CQSZACIVSA-N 2 3 313.490 0.781 20 0 DCADHP C(CN1CCOCC1)N(C[C@H]1CC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001236397708 770009797 /nfs/dbraw/zinc/00/97/97/770009797.db2.gz AIBHRNODBVRAAP-KRWDZBQOSA-N 2 3 310.486 0.230 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001160628898 772080634 /nfs/dbraw/zinc/08/06/34/772080634.db2.gz IINHNPBGYRGZTR-HNNXBMFYSA-N 2 3 324.473 0.012 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915804 772137122 /nfs/dbraw/zinc/13/71/22/772137122.db2.gz NDRFZJOHKURONK-AWEZNQCLSA-N 2 3 320.441 0.277 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444413 772224717 /nfs/dbraw/zinc/22/47/17/772224717.db2.gz HKPPIBFNVHFENV-AJNGGQMLSA-N 2 3 308.470 0.373 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728141 774290246 /nfs/dbraw/zinc/29/02/46/774290246.db2.gz TYELJUFSHRQILT-OLZOCXBDSA-N 2 3 307.398 0.217 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931449 774649733 /nfs/dbraw/zinc/64/97/33/774649733.db2.gz RFYGJNKHHRRCBG-HNNXBMFYSA-N 2 3 319.453 0.621 20 0 DCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219943813 774652991 /nfs/dbraw/zinc/65/29/91/774652991.db2.gz ZNRQYSNWKRMRDI-SJLPKXTDSA-N 2 3 316.449 0.564 20 0 DCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220332601 774774401 /nfs/dbraw/zinc/77/44/01/774774401.db2.gz NMOIKRQLHGVYLE-ZMSDIMECSA-N 2 3 308.470 0.422 20 0 DCADHP COc1cccc([C@@H](C[NH3+])NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001221406671 775090327 /nfs/dbraw/zinc/09/03/27/775090327.db2.gz TXFNHEFRCDGNDZ-FRFSOERESA-N 2 3 318.421 0.010 20 0 DCADHP O[C@@]1(CNCC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246008433 945314047 /nfs/dbraw/zinc/31/40/47/945314047.db2.gz PXZNAHWXGQMCKY-KRWDZBQOSA-N 2 3 304.438 0.308 20 0 DCADHP c1cncc(C2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246424208 945410596 /nfs/dbraw/zinc/41/05/96/945410596.db2.gz PURWOBYBXNIMNM-OAHLLOKOSA-N 2 3 302.422 0.771 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1C[C@@H]3C=C[C@H](C1)N3)C2 ZINC001246670547 945458562 /nfs/dbraw/zinc/45/85/62/945458562.db2.gz FBIZFQPWBRWLMW-DNQCCUHYSA-N 2 3 317.433 0.376 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C1C[C@@H]3C=C[C@H](C1)N3)C2 ZINC001246670547 945458568 /nfs/dbraw/zinc/45/85/68/945458568.db2.gz FBIZFQPWBRWLMW-DNQCCUHYSA-N 2 3 317.433 0.376 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCCCNC3)C[C@@H]1CC[NH2+]CC2 ZINC001246682920 945460183 /nfs/dbraw/zinc/46/01/83/945460183.db2.gz OQCLUSLEVWPVBV-UXLLHSPISA-N 2 3 309.454 0.993 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCCCNC3)C[C@@H]1CC[NH2+]CC2 ZINC001246682920 945460186 /nfs/dbraw/zinc/46/01/86/945460186.db2.gz OQCLUSLEVWPVBV-UXLLHSPISA-N 2 3 309.454 0.993 20 0 DCADHP CCOC(=O)[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247010882 945542187 /nfs/dbraw/zinc/54/21/87/945542187.db2.gz WKCJIFUZRIZHPS-IZGVIRRGSA-N 2 3 305.422 0.520 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647544523 418021437 /nfs/dbraw/zinc/02/14/37/418021437.db2.gz IKERMORKSHHDSL-IXDOHACOSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647544523 418021440 /nfs/dbraw/zinc/02/14/40/418021440.db2.gz IKERMORKSHHDSL-IXDOHACOSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782317 418376221 /nfs/dbraw/zinc/37/62/21/418376221.db2.gz FARDBIHMTDIVFS-WBVHZDCISA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782317 418376224 /nfs/dbraw/zinc/37/62/24/418376224.db2.gz FARDBIHMTDIVFS-WBVHZDCISA-N 2 3 322.497 0.895 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418520751 262280954 /nfs/dbraw/zinc/28/09/54/262280954.db2.gz HNTBDQUSUOXMLT-CABCVRRESA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418520751 262280955 /nfs/dbraw/zinc/28/09/55/262280955.db2.gz HNTBDQUSUOXMLT-CABCVRRESA-N 2 3 313.490 0.781 20 0 DCADHP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662280453 546374262 /nfs/dbraw/zinc/37/42/62/546374262.db2.gz DRZYJHATAKHDIJ-ARFHVFGLSA-N 2 3 309.454 0.726 20 0 DCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000849060206 670756004 /nfs/dbraw/zinc/75/60/04/670756004.db2.gz MAOHFPPZKNZSIU-INIZCTEOSA-N 2 3 324.517 0.612 20 0 DCADHP C(CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)C1C[NH2+]C1 ZINC001235204079 769779784 /nfs/dbraw/zinc/77/97/84/769779784.db2.gz CUYIKJMXGBTNSW-UHFFFAOYSA-N 2 3 307.442 0.070 20 0 DCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028673 771715568 /nfs/dbraw/zinc/71/55/68/771715568.db2.gz UDAHAMNSKPBIKK-NVXWUHKLSA-N 2 3 320.481 0.568 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158240722 771744931 /nfs/dbraw/zinc/74/49/31/771744931.db2.gz MNHFBQFBUIJDBS-WDEREUQCSA-N 2 3 322.375 0.728 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274623 772195576 /nfs/dbraw/zinc/19/55/76/772195576.db2.gz XXDQDTPXTDIBOP-HOTGVXAUSA-N 2 3 319.453 0.619 20 0 DCADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001161306457 772200640 /nfs/dbraw/zinc/20/06/40/772200640.db2.gz MRFYYQJGOKFUPN-ZDUSSCGKSA-N 2 3 323.466 0.058 20 0 DCADHP CN(C)CCN(C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447760 772224421 /nfs/dbraw/zinc/22/44/21/772224421.db2.gz ZBYCJOSPMQYHHZ-RHSMWYFYSA-N 2 3 310.486 0.907 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220652289 774877775 /nfs/dbraw/zinc/87/77/75/774877775.db2.gz YAPKMUOFILHCFW-HNNXBMFYSA-N 2 3 319.453 0.169 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002541 774974939 /nfs/dbraw/zinc/97/49/39/774974939.db2.gz SHLVJVYHCCBLPJ-JYJNAYRXSA-N 2 3 319.453 0.746 20 0 DCADHP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221127577 775002292 /nfs/dbraw/zinc/00/22/92/775002292.db2.gz GQTBIZPCECKWDA-OAHLLOKOSA-N 2 3 320.481 0.472 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221412930 775093070 /nfs/dbraw/zinc/09/30/70/775093070.db2.gz HMHQDUZXKOTOPU-HOTGVXAUSA-N 2 3 310.486 0.986 20 0 DCADHP O=C1CN(CC2CC3(C2)CC[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001222515158 775376887 /nfs/dbraw/zinc/37/68/87/775376887.db2.gz KWTNTGUFHVIOQF-UHFFFAOYSA-N 2 3 306.454 0.320 20 0 DCADHP CN(C)CCN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031214 945209372 /nfs/dbraw/zinc/20/93/72/945209372.db2.gz UWXQAWAYQMMIPW-KRWDZBQOSA-N 2 3 308.470 0.472 20 0 DCADHP CN(C)CCN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031214 945209377 /nfs/dbraw/zinc/20/93/77/945209377.db2.gz UWXQAWAYQMMIPW-KRWDZBQOSA-N 2 3 308.470 0.472 20 0 DCADHP O[C@]1(CNCC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245992173 945306924 /nfs/dbraw/zinc/30/69/24/945306924.db2.gz YFXMDUKGGRKLHE-QGZVFWFLSA-N 2 3 307.413 0.761 20 0 DCADHP C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246135783 945342528 /nfs/dbraw/zinc/34/25/28/945342528.db2.gz VITJVRWFIJEXGJ-CZUORRHYSA-N 2 3 304.442 0.783 20 0 DCADHP [NH3+]CCOCCOCCN[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246283259 945377679 /nfs/dbraw/zinc/37/76/79/945377679.db2.gz GRHYQQIVQSLNEL-ZWKOTPCHSA-N 2 3 321.465 0.931 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC001332340382 951597013 /nfs/dbraw/zinc/59/70/13/951597013.db2.gz WHJMOMSCHGOZIB-AWEZNQCLSA-N 2 3 312.458 0.014 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001356069578 956771715 /nfs/dbraw/zinc/77/17/15/956771715.db2.gz HKKZMTXWHCMDGG-ROUUACIJSA-N 2 3 322.497 0.467 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418390745 287246915 /nfs/dbraw/zinc/24/69/15/287246915.db2.gz UZZQXVNOFNKPBH-GJZGRUSLSA-N 2 3 311.474 0.406 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418390745 287246916 /nfs/dbraw/zinc/24/69/16/287246916.db2.gz UZZQXVNOFNKPBH-GJZGRUSLSA-N 2 3 311.474 0.406 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)CC1 ZINC000444162569 416810062 /nfs/dbraw/zinc/81/00/62/416810062.db2.gz SUMOBGDSQSEAPW-FUHWJXTLSA-N 2 3 320.481 0.661 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000518942790 416881668 /nfs/dbraw/zinc/88/16/68/416881668.db2.gz VUEQCQYOSIATQS-HNNXBMFYSA-N 2 3 313.490 0.653 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000904379995 663511768 /nfs/dbraw/zinc/51/17/68/663511768.db2.gz YWKFPDNPBXNATL-QGZVFWFLSA-N 2 3 310.486 0.956 20 0 DCADHP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000747532141 667906588 /nfs/dbraw/zinc/90/65/88/667906588.db2.gz SPORTZFWDYIWCC-IAGOWNOFSA-N 2 3 313.486 0.876 20 0 DCADHP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000747532141 667906592 /nfs/dbraw/zinc/90/65/92/667906592.db2.gz SPORTZFWDYIWCC-IAGOWNOFSA-N 2 3 313.486 0.876 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848988008 670746171 /nfs/dbraw/zinc/74/61/71/670746171.db2.gz XSOZWQFBWRIHQX-CQSZACIVSA-N 2 3 311.474 0.431 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC001580207382 1165536631 /nfs/dbraw/zinc/53/66/31/1165536631.db2.gz SULQSOOAPFNBLV-QGZVFWFLSA-N 2 3 322.497 0.895 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158547720 771788864 /nfs/dbraw/zinc/78/88/64/771788864.db2.gz PQWFDSRRCVEIPG-NUJGCVRESA-N 2 3 316.449 0.658 20 0 DCADHP C[C@@H](Nc1cccc(N2CCC([NH3+])CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159498949 771919256 /nfs/dbraw/zinc/91/92/56/771919256.db2.gz NHSNALOXEMXWKU-OCCSQVGLSA-N 2 3 305.426 0.798 20 0 DCADHP COCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1CCN(C)CC1 ZINC001160439545 772038601 /nfs/dbraw/zinc/03/86/01/772038601.db2.gz MBELYMRHNRLQAL-AWEZNQCLSA-N 2 3 314.474 0.402 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)CC1 ZINC001160993607 772146979 /nfs/dbraw/zinc/14/69/79/772146979.db2.gz YWZNMQJPMYIBBD-AWEZNQCLSA-N 2 3 306.454 0.130 20 0 DCADHP Nc1c(F)cccc1N(C(=O)[C@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001219280906 774433697 /nfs/dbraw/zinc/43/36/97/774433697.db2.gz QRYRUEDPDABURL-CYBMUJFWSA-N 2 3 323.416 0.559 20 0 DCADHP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219816137 774618597 /nfs/dbraw/zinc/61/85/97/774618597.db2.gz ASALFUAYHLSLHT-ZNMIVQPWSA-N 2 3 300.406 0.015 20 0 DCADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220164304 774715674 /nfs/dbraw/zinc/71/56/74/774715674.db2.gz ZYORNLZGCIDTEB-TXCZRRACSA-N 2 3 306.454 0.224 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538147 774839622 /nfs/dbraw/zinc/83/96/22/774839622.db2.gz DETRUCNKXXAMIL-RDVIWEACSA-N 2 3 308.470 0.809 20 0 DCADHP O[C@]1(CNCC2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246005382 945312137 /nfs/dbraw/zinc/31/21/37/945312137.db2.gz JPLFWORLZXNPDL-GOSISDBHSA-N 2 3 303.450 0.913 20 0 DCADHP O[C@@]1(C[NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCCNC1 ZINC001246010330 945313277 /nfs/dbraw/zinc/31/32/77/945313277.db2.gz XANAQLBKIJFBRX-SFHVURJKSA-N 2 3 318.465 0.698 20 0 DCADHP COc1ccc(C2(CNC[C@]3(O)CC[NH2+]C3)CC[NH2+]CC2)cc1 ZINC001246009915 945314159 /nfs/dbraw/zinc/31/41/59/945314159.db2.gz WCPIHLSIFXNVCD-SFHVURJKSA-N 2 3 319.449 0.630 20 0 DCADHP C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246135784 945343677 /nfs/dbraw/zinc/34/36/77/945343677.db2.gz VITJVRWFIJEXGJ-XJKSGUPXSA-N 2 3 304.442 0.783 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCCCNC3)C[C@H]1C2 ZINC001246868724 945510365 /nfs/dbraw/zinc/51/03/65/945510365.db2.gz KWUWFMZALBVTPA-GAGVYUBLSA-N 2 3 307.438 0.459 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCCCNC3)C[C@H]1C2 ZINC001246868724 945510367 /nfs/dbraw/zinc/51/03/67/945510367.db2.gz KWUWFMZALBVTPA-GAGVYUBLSA-N 2 3 307.438 0.459 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576450589 417610408 /nfs/dbraw/zinc/61/04/08/417610408.db2.gz HZEXHOIVCUKWHC-INIZCTEOSA-N 2 3 313.490 0.511 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000891463698 658880943 /nfs/dbraw/zinc/88/09/43/658880943.db2.gz ZPTDQHSWWDMUIE-OKILXGFUSA-N 2 3 323.485 0.582 20 0 DCADHP O=C1O[C@H](CNC2CC[NH+](C3CC3)CC2)CC12CC[NH2+]CC2 ZINC001646285582 1172321665 /nfs/dbraw/zinc/32/16/65/1172321665.db2.gz MMPCSDUTZDBIOY-HNNXBMFYSA-N 2 3 307.438 0.888 20 0 DCADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc2c[nH]ccc-2n1 ZINC001236311346 769994588 /nfs/dbraw/zinc/99/45/88/769994588.db2.gz HVOYETABIWYJEH-UHFFFAOYSA-N 2 3 318.425 0.179 20 0 DCADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc2cnccc2[nH]1 ZINC001236311346 769994596 /nfs/dbraw/zinc/99/45/96/769994596.db2.gz HVOYETABIWYJEH-UHFFFAOYSA-N 2 3 318.425 0.179 20 0 DCADHP N=C(NCCCC[NH3+])Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001157095962 771533396 /nfs/dbraw/zinc/53/33/96/771533396.db2.gz CHWIFZIIBXFVHQ-UHFFFAOYSA-N 2 3 306.418 0.079 20 0 DCADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001158081966 771723563 /nfs/dbraw/zinc/72/35/63/771723563.db2.gz JEYLMUGVVXSWAL-CQSZACIVSA-N 2 3 306.454 0.591 20 0 DCADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001158081966 771723565 /nfs/dbraw/zinc/72/35/65/771723565.db2.gz JEYLMUGVVXSWAL-CQSZACIVSA-N 2 3 306.454 0.591 20 0 DCADHP CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001158857438 771828712 /nfs/dbraw/zinc/82/87/12/771828712.db2.gz UBCFSIGKIDMYPP-CYBMUJFWSA-N 2 3 322.457 0.201 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(N)C(F)(F)F ZINC001160628518 772080167 /nfs/dbraw/zinc/08/01/67/772080167.db2.gz JCYZSUYGMDKXSM-LLVKDONJSA-N 2 3 312.380 0.608 20 0 DCADHP N[C@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1CC[NH2+]CC1 ZINC001218726279 774290115 /nfs/dbraw/zinc/29/01/15/774290115.db2.gz DRCRCVAOCYTGHJ-HIFRSBDPSA-N 2 3 319.409 0.088 20 0 DCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220062337 774684472 /nfs/dbraw/zinc/68/44/72/774684472.db2.gz VHHUVWGGBOLGBE-STQMWFEESA-N 2 3 302.488 0.386 20 0 DCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220062337 774684474 /nfs/dbraw/zinc/68/44/74/774684474.db2.gz VHHUVWGGBOLGBE-STQMWFEESA-N 2 3 302.488 0.386 20 0 DCADHP N[C@H](C(=O)NCC1(CC2CCC2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001221130420 775003440 /nfs/dbraw/zinc/00/34/40/775003440.db2.gz RFMAILVNRAGSSM-INIZCTEOSA-N 2 3 322.497 0.990 20 0 DCADHP C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221403822 775089276 /nfs/dbraw/zinc/08/92/76/775089276.db2.gz ZDQWYVRAXJLCGM-BPCQOVAHSA-N 2 3 302.488 0.242 20 0 DCADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246143888 945348197 /nfs/dbraw/zinc/34/81/97/945348197.db2.gz JWPULZFZMSGVSD-BFYDXBDKSA-N 2 3 309.454 0.646 20 0 DCADHP c1cncc(CC2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246422471 945409971 /nfs/dbraw/zinc/40/99/71/945409971.db2.gz UIWDPMDCPMWQGR-MRXNPFEDSA-N 2 3 316.449 0.857 20 0 DCADHP C[NH+](C)Cc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247852913 945578943 /nfs/dbraw/zinc/57/89/43/945578943.db2.gz XRMAULQGWMJFSL-UHFFFAOYSA-N 2 3 313.405 0.859 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC001332340383 951596562 /nfs/dbraw/zinc/59/65/62/951596562.db2.gz WHJMOMSCHGOZIB-CQSZACIVSA-N 2 3 312.458 0.014 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418484667 285277198 /nfs/dbraw/zinc/27/71/98/285277198.db2.gz GSUGGUKBYPLUBP-CABCVRRESA-N 2 3 313.490 0.639 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418484667 285277201 /nfs/dbraw/zinc/27/72/01/285277201.db2.gz GSUGGUKBYPLUBP-CABCVRRESA-N 2 3 313.490 0.639 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575749214 417545863 /nfs/dbraw/zinc/54/58/63/417545863.db2.gz NRISYCGEDCENEY-BZUAXINKSA-N 2 3 308.470 0.505 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000575749214 417545867 /nfs/dbraw/zinc/54/58/67/417545867.db2.gz NRISYCGEDCENEY-BZUAXINKSA-N 2 3 308.470 0.505 20 0 DCADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891462461 658880061 /nfs/dbraw/zinc/88/00/61/658880061.db2.gz RGIOLWDJQQEPLW-KGLIPLIRSA-N 2 3 323.485 0.676 20 0 DCADHP CC1(C)N[C@@H](CC[NH+]2CCC(N3CCC([NH3+])CC3)CC2)CO1 ZINC001236580624 770013195 /nfs/dbraw/zinc/01/31/95/770013195.db2.gz GUCQXHRSPFFFIS-HNNXBMFYSA-N 2 3 310.486 0.989 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)CC1 ZINC001160991481 772146501 /nfs/dbraw/zinc/14/65/01/772146501.db2.gz DTOYSRBCPJCKMF-ZDUSSCGKSA-N 2 3 314.499 0.340 20 0 DCADHP CN(C)CCN(C(=O)[C@]1(C)CC(C)(C)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447759 772224416 /nfs/dbraw/zinc/22/44/16/772224416.db2.gz ZBYCJOSPMQYHHZ-PBHICJAKSA-N 2 3 310.486 0.907 20 0 DCADHP CN(C)CCN(C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447761 772225348 /nfs/dbraw/zinc/22/53/48/772225348.db2.gz ZBYCJOSPMQYHHZ-WMLDXEAASA-N 2 3 310.486 0.907 20 0 DCADHP C[NH+](C)CCN1CCN(CCC2CC[NH+](C)CC2)CCC1=O ZINC001207486467 773217519 /nfs/dbraw/zinc/21/75/19/773217519.db2.gz JBHNTHNMYYNGAB-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219610773 774555927 /nfs/dbraw/zinc/55/59/27/774555927.db2.gz RNKYPNCBPFGTPV-MFKMUULPSA-N 2 3 320.359 0.271 20 0 DCADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219610773 774555928 /nfs/dbraw/zinc/55/59/28/774555928.db2.gz RNKYPNCBPFGTPV-MFKMUULPSA-N 2 3 320.359 0.271 20 0 DCADHP N[C@H](C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001220791458 774916403 /nfs/dbraw/zinc/91/64/03/774916403.db2.gz YNBPRTQFQGMNLG-OWCLPIDISA-N 2 3 317.437 0.175 20 0 DCADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220857578 774936732 /nfs/dbraw/zinc/93/67/32/774936732.db2.gz JBKCXMABAKDPNR-HIFRSBDPSA-N 2 3 310.486 0.940 20 0 DCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001220902974 774948180 /nfs/dbraw/zinc/94/81/80/774948180.db2.gz HEJYTFJYLBVKOP-INIZCTEOSA-N 2 3 316.449 0.345 20 0 DCADHP N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220918982 774952166 /nfs/dbraw/zinc/95/21/66/774952166.db2.gz NRFUVZPTOZOGKI-ZBFHGGJFSA-N 2 3 308.470 0.837 20 0 DCADHP N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220918982 774952169 /nfs/dbraw/zinc/95/21/69/774952169.db2.gz NRFUVZPTOZOGKI-ZBFHGGJFSA-N 2 3 308.470 0.837 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220940581 774958324 /nfs/dbraw/zinc/95/83/24/774958324.db2.gz ALZQAWFDSLVJBN-AVGNSLFASA-N 2 3 306.414 0.146 20 0 DCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H](C)C1 ZINC001221409421 775091363 /nfs/dbraw/zinc/09/13/63/775091363.db2.gz UEJKSIFDNZKVKQ-KLZNWCGWSA-N 2 3 308.470 0.421 20 0 DCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H](C)C1 ZINC001221409421 775091375 /nfs/dbraw/zinc/09/13/75/775091375.db2.gz UEJKSIFDNZKVKQ-KLZNWCGWSA-N 2 3 308.470 0.421 20 0 DCADHP COc1cccc(C2([NH2+]CC3(O)CC[NH2+]CC3)CCNCC2)c1 ZINC001246009923 945315135 /nfs/dbraw/zinc/31/51/35/945315135.db2.gz WFKOSOAPCLCVDX-UHFFFAOYSA-N 2 3 319.449 0.978 20 0 DCADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001246339973 945388587 /nfs/dbraw/zinc/38/85/87/945388587.db2.gz JGQSTCAZSIYNOL-OAGGEKHMSA-N 2 3 302.422 0.843 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]1C2 ZINC001246856340 945504911 /nfs/dbraw/zinc/50/49/11/945504911.db2.gz DQDVNMCNKUSIDS-CXKHLATESA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]1C2 ZINC001246856340 945504916 /nfs/dbraw/zinc/50/49/16/945504916.db2.gz DQDVNMCNKUSIDS-CXKHLATESA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCNC(C)(C)C3)C[C@H]1C2 ZINC001246859048 945507830 /nfs/dbraw/zinc/50/78/30/945507830.db2.gz NJSLPKPBZFFWBZ-VAVSNJLASA-N 2 3 321.465 0.848 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCNC(C)(C)C3)C[C@H]1C2 ZINC001246859048 945507836 /nfs/dbraw/zinc/50/78/36/945507836.db2.gz NJSLPKPBZFFWBZ-VAVSNJLASA-N 2 3 321.465 0.848 20 0 DCADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN2C2CC2)C[C@H]1C[NH+](C)C ZINC000870019169 667698626 /nfs/dbraw/zinc/69/86/26/667698626.db2.gz SDIYAAVOZBSVAJ-BFYDXBDKSA-N 2 3 322.497 0.811 20 0 DCADHP C[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001578525142 1165043666 /nfs/dbraw/zinc/04/36/66/1165043666.db2.gz RXYIPEDCRCHPMD-HZPDHXFCSA-N 2 3 322.497 0.908 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3[C@@H]4CC[NH2+]C[C@@H]43)CC2)CC1 ZINC001646739326 1172502438 /nfs/dbraw/zinc/50/24/38/1172502438.db2.gz FFNYGTQWVHOGSE-IKGGRYGDSA-N 2 3 320.481 0.517 20 0 DCADHP C(CN1CCOCC1)C[N@H+](CC1CNC1)CC1CC[NH2+]CC1 ZINC001236385516 770008747 /nfs/dbraw/zinc/00/87/47/770008747.db2.gz DBKZIFQGNDHSQH-UHFFFAOYSA-N 2 3 310.486 0.230 20 0 DCADHP C(CN1CCOCC1)C[N@@H+](CC1CNC1)CC1CC[NH2+]CC1 ZINC001236385516 770008757 /nfs/dbraw/zinc/00/87/57/770008757.db2.gz DBKZIFQGNDHSQH-UHFFFAOYSA-N 2 3 310.486 0.230 20 0 DCADHP O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306709 771756615 /nfs/dbraw/zinc/75/66/15/771756615.db2.gz WBYYGWDPWMLCBU-SQWLQELKSA-N 2 3 306.454 0.271 20 0 DCADHP O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306709 771756619 /nfs/dbraw/zinc/75/66/19/771756619.db2.gz WBYYGWDPWMLCBU-SQWLQELKSA-N 2 3 306.454 0.271 20 0 DCADHP O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306709 771756620 /nfs/dbraw/zinc/75/66/20/771756620.db2.gz WBYYGWDPWMLCBU-SQWLQELKSA-N 2 3 306.454 0.271 20 0 DCADHP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C[C@@H]1F ZINC001160650468 772087348 /nfs/dbraw/zinc/08/73/48/772087348.db2.gz WYDMZEWMUANJIG-VHDGCEQUSA-N 2 3 312.433 0.348 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780375 772110641 /nfs/dbraw/zinc/11/06/41/772110641.db2.gz PCBOARALNKSIKQ-VYDXJSESSA-N 2 3 302.422 0.052 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160970781 772144840 /nfs/dbraw/zinc/14/48/40/772144840.db2.gz BSBQZRHYHMJRDX-RYUDHWBXSA-N 2 3 306.401 0.677 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001161444874 772224758 /nfs/dbraw/zinc/22/47/58/772224758.db2.gz LJUNZTSZGLBVFS-LVQVYYBASA-N 2 3 308.470 0.374 20 0 DCADHP [NH3+][C@H]1CCc2nc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)sc2C1 ZINC001218533695 774239700 /nfs/dbraw/zinc/23/97/00/774239700.db2.gz RGXYQXWHBMYFNF-HFBDOXOYSA-N 2 3 321.450 0.097 20 0 DCADHP [NH3+]C1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2)CCC1 ZINC001218972068 774338077 /nfs/dbraw/zinc/33/80/77/774338077.db2.gz IHQKHUUXKXWKJO-CQSZACIVSA-N 2 3 300.406 0.772 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001219641812 774569397 /nfs/dbraw/zinc/56/93/97/774569397.db2.gz LNLMRLJZHGIMJE-JYJNAYRXSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001219641812 774569402 /nfs/dbraw/zinc/56/94/02/774569402.db2.gz LNLMRLJZHGIMJE-JYJNAYRXSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001219641812 774569407 /nfs/dbraw/zinc/56/94/07/774569407.db2.gz LNLMRLJZHGIMJE-JYJNAYRXSA-N 2 3 322.497 0.812 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954669 774655260 /nfs/dbraw/zinc/65/52/60/774655260.db2.gz MVAHJFRFILRGPH-ZDUSSCGKSA-N 2 3 302.488 0.434 20 0 DCADHP COc1cccc(C2([NH3+])CCN(C(=O)[C@H](N)CCC[NH3+])CC2)c1 ZINC001221092033 774993993 /nfs/dbraw/zinc/99/39/93/774993993.db2.gz LXDJZCUJZWKIMI-OAHLLOKOSA-N 2 3 320.437 0.538 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114134 774998246 /nfs/dbraw/zinc/99/82/46/774998246.db2.gz OGFDUXROZWSMLB-AWEZNQCLSA-N 2 3 319.453 0.275 20 0 DCADHP O[C@@]1(C[NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCCNC1 ZINC001246004646 945311630 /nfs/dbraw/zinc/31/16/30/945311630.db2.gz DTLANFRVWOLGLJ-KRWDZBQOSA-N 2 3 304.438 0.407 20 0 DCADHP O[C@@]1(CNCC2(c3cccnc3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246004646 945311639 /nfs/dbraw/zinc/31/16/39/945311639.db2.gz DTLANFRVWOLGLJ-KRWDZBQOSA-N 2 3 304.438 0.407 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024708 945320248 /nfs/dbraw/zinc/32/02/48/945320248.db2.gz JDYNMDYASNDOBY-XMTFNYHQSA-N 2 3 319.449 0.228 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024708 945320252 /nfs/dbraw/zinc/32/02/52/945320252.db2.gz JDYNMDYASNDOBY-XMTFNYHQSA-N 2 3 319.449 0.228 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024708 945320258 /nfs/dbraw/zinc/32/02/58/945320258.db2.gz JDYNMDYASNDOBY-XMTFNYHQSA-N 2 3 319.449 0.228 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]1C2 ZINC001246856348 945505774 /nfs/dbraw/zinc/50/57/74/945505774.db2.gz DQDVNMCNKUSIDS-QKEJGYSESA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]1C2 ZINC001246856348 945505779 /nfs/dbraw/zinc/50/57/79/945505779.db2.gz DQDVNMCNKUSIDS-QKEJGYSESA-N 2 3 307.438 0.457 20 0 DCADHP CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246986999 945537374 /nfs/dbraw/zinc/53/73/74/945537374.db2.gz CBNVLJJPHPAICR-QGZVFWFLSA-N 2 3 321.513 0.229 20 0 DCADHP CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246986999 945537382 /nfs/dbraw/zinc/53/73/82/945537382.db2.gz CBNVLJJPHPAICR-QGZVFWFLSA-N 2 3 321.513 0.229 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001356069577 956772075 /nfs/dbraw/zinc/77/20/75/956772075.db2.gz HKKZMTXWHCMDGG-QZTJIDSGSA-N 2 3 322.497 0.467 20 0 DCADHP C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001454700679 1009270910 /nfs/dbraw/zinc/27/09/10/1009270910.db2.gz HXAGNHIPKZHUFT-BZUAXINKSA-N 2 3 310.486 0.526 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418484671 285244266 /nfs/dbraw/zinc/24/42/66/285244266.db2.gz GSUGGUKBYPLUBP-HUUCEWRRSA-N 2 3 313.490 0.639 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418484671 285244267 /nfs/dbraw/zinc/24/42/67/285244267.db2.gz GSUGGUKBYPLUBP-HUUCEWRRSA-N 2 3 313.490 0.639 20 0 DCADHP [NH3+]CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000443077437 416731648 /nfs/dbraw/zinc/73/16/48/416731648.db2.gz UUINDSNHNUYZAG-AWEZNQCLSA-N 2 3 308.470 0.790 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659649779 418136659 /nfs/dbraw/zinc/13/66/59/418136659.db2.gz ZJIHQOQEPGTZGM-GJZGRUSLSA-N 2 3 313.490 0.652 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659649779 418136661 /nfs/dbraw/zinc/13/66/61/418136661.db2.gz ZJIHQOQEPGTZGM-GJZGRUSLSA-N 2 3 313.490 0.652 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418520754 262280948 /nfs/dbraw/zinc/28/09/48/262280948.db2.gz HNTBDQUSUOXMLT-LSDHHAIUSA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418520754 262280949 /nfs/dbraw/zinc/28/09/49/262280949.db2.gz HNTBDQUSUOXMLT-LSDHHAIUSA-N 2 3 313.490 0.781 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364041565 279306234 /nfs/dbraw/zinc/30/62/34/279306234.db2.gz XSYWJCMBHQXGRZ-RBSFLKMASA-N 2 3 309.458 0.448 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364041565 279306237 /nfs/dbraw/zinc/30/62/37/279306237.db2.gz XSYWJCMBHQXGRZ-RBSFLKMASA-N 2 3 309.458 0.448 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)C1 ZINC000903763817 663480290 /nfs/dbraw/zinc/48/02/90/663480290.db2.gz NKCUKEPLQXPVBS-HZMVEIRTSA-N 2 3 311.470 0.661 20 0 DCADHP COCC1(C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC[NH2+]CC1 ZINC000903919603 663495670 /nfs/dbraw/zinc/49/56/70/663495670.db2.gz ORRLZPVWZIEKCT-HNNXBMFYSA-N 2 3 323.485 0.452 20 0 DCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498448 667549571 /nfs/dbraw/zinc/54/95/71/667549571.db2.gz HZXHIZXBMJDCCQ-GJZGRUSLSA-N 2 3 310.486 0.892 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001579396966 1165297643 /nfs/dbraw/zinc/29/76/43/1165297643.db2.gz AECRDLNBKXZPLL-BFHYXJOUSA-N 2 3 302.438 0.322 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001579396966 1165297652 /nfs/dbraw/zinc/29/76/52/1165297652.db2.gz AECRDLNBKXZPLL-BFHYXJOUSA-N 2 3 302.438 0.322 20 0 DCADHP [NH2+]=C(NCCCC[NH3+])Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167880417 748459847 /nfs/dbraw/zinc/45/98/47/748459847.db2.gz MIDSIGFBZPAWCQ-CYBMUJFWSA-N 2 3 317.441 0.961 20 0 DCADHP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H]1CNCCO1 ZINC001235962173 769963656 /nfs/dbraw/zinc/96/36/56/769963656.db2.gz LPXYXINYNXOWFT-QGZVFWFLSA-N 2 3 314.518 0.960 20 0 DCADHP [NH3+]C1CCN(c2cccc(N[C@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155469731 770513136 /nfs/dbraw/zinc/51/31/36/770513136.db2.gz PECYTBCBYBGLRJ-AWEZNQCLSA-N 2 3 317.437 0.800 20 0 DCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204898 772183818 /nfs/dbraw/zinc/18/38/18/772183818.db2.gz FQPWLIHBBWVDDT-HNNXBMFYSA-N 2 3 306.454 0.034 20 0 DCADHP N[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)C1CC[NH2+]CC1 ZINC001219537852 774528913 /nfs/dbraw/zinc/52/89/13/774528913.db2.gz QSCCYYCJANPRFL-WPGHFRTFSA-N 2 3 316.405 0.400 20 0 DCADHP N[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC001219818729 774620279 /nfs/dbraw/zinc/62/02/79/774620279.db2.gz LNQFYQFFKQGVGQ-PMPSAXMXSA-N 2 3 302.422 0.533 20 0 DCADHP N[C@H](C(=O)NC1(c2cccnc2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001221124172 775000368 /nfs/dbraw/zinc/00/03/68/775000368.db2.gz YUJZPDRTJXTSQS-HNNXBMFYSA-N 2 3 317.437 0.103 20 0 DCADHP COCCC1([NH3+])CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001221134254 775003691 /nfs/dbraw/zinc/00/36/91/775003691.db2.gz RUSZJDPHPDTHSW-AWEZNQCLSA-N 2 3 314.474 0.402 20 0 DCADHP O[C@]1(CNCC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246003723 945312846 /nfs/dbraw/zinc/31/28/46/945312846.db2.gz FWQKUAKLINDDCC-QGZVFWFLSA-N 2 3 304.438 0.308 20 0 DCADHP COC(=O)C1C[C@@H]2CC(NCCN3CCC([NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246406153 945404533 /nfs/dbraw/zinc/40/45/33/945404533.db2.gz RFTFGXVIFQEAIZ-DVMLXDCBSA-N 2 3 324.469 0.071 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@@H]3CSC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246493564 945419638 /nfs/dbraw/zinc/41/96/38/945419638.db2.gz HYQNUZNTDGSXDV-AWEZNQCLSA-N 2 3 306.479 0.876 20 0 DCADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)C[C@H](C1)N2 ZINC001246628735 945447138 /nfs/dbraw/zinc/44/71/38/945447138.db2.gz DBLFMZOSOYSGAE-OBZZQFPASA-N 2 3 307.438 0.744 20 0 DCADHP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C[C@H](C1)N2 ZINC001246628735 945447141 /nfs/dbraw/zinc/44/71/41/945447141.db2.gz DBLFMZOSOYSGAE-OBZZQFPASA-N 2 3 307.438 0.744 20 0 DCADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011339 417556716 /nfs/dbraw/zinc/55/67/16/417556716.db2.gz NGPZZAZVWSAJDN-CFVMTHIKSA-N 2 3 305.426 0.655 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647544521 418020649 /nfs/dbraw/zinc/02/06/49/418020649.db2.gz IKERMORKSHHDSL-BRWVUGGUSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647544521 418020652 /nfs/dbraw/zinc/02/06/52/418020652.db2.gz IKERMORKSHHDSL-BRWVUGGUSA-N 2 3 322.497 0.895 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659649786 418136976 /nfs/dbraw/zinc/13/69/76/418136976.db2.gz ZJIHQOQEPGTZGM-LSDHHAIUSA-N 2 3 313.490 0.652 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659649786 418136979 /nfs/dbraw/zinc/13/69/79/418136979.db2.gz ZJIHQOQEPGTZGM-LSDHHAIUSA-N 2 3 313.490 0.652 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650716871 418321848 /nfs/dbraw/zinc/32/18/48/418321848.db2.gz MDLIXLGOZFOYSM-ZDUSSCGKSA-N 2 3 308.401 0.571 20 0 DCADHP CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000418712869 271249997 /nfs/dbraw/zinc/24/99/97/271249997.db2.gz OJYMSYQEZPFYAQ-CABCVRRESA-N 2 3 313.490 0.781 20 0 DCADHP CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000418712869 271249999 /nfs/dbraw/zinc/24/99/99/271249999.db2.gz OJYMSYQEZPFYAQ-CABCVRRESA-N 2 3 313.490 0.781 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364041560 279306466 /nfs/dbraw/zinc/30/64/66/279306466.db2.gz XSYWJCMBHQXGRZ-KFWWJZLASA-N 2 3 309.458 0.448 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364041560 279306467 /nfs/dbraw/zinc/30/64/67/279306467.db2.gz XSYWJCMBHQXGRZ-KFWWJZLASA-N 2 3 309.458 0.448 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)CC1 ZINC000870876290 667769017 /nfs/dbraw/zinc/76/90/17/667769017.db2.gz JSGOFDXCEIQNSJ-GLJUWKHASA-N 2 3 320.481 0.789 20 0 DCADHP CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578524191 1165042126 /nfs/dbraw/zinc/04/21/26/1165042126.db2.gz AQBMIYSYSDMYFQ-INIZCTEOSA-N 2 3 310.486 0.465 20 0 DCADHP CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578524191 1165042130 /nfs/dbraw/zinc/04/21/30/1165042130.db2.gz AQBMIYSYSDMYFQ-INIZCTEOSA-N 2 3 310.486 0.465 20 0 DCADHP C[NH+]1CCC(N(c2cc(CN)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158575020 764370778 /nfs/dbraw/zinc/37/07/78/764370778.db2.gz GMYRUYWPIHFJDX-UHFFFAOYSA-N 2 3 304.442 0.588 20 0 DCADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160962292 772142883 /nfs/dbraw/zinc/14/28/83/772142883.db2.gz BYEDWZPUHNXEEH-IIAWOOMASA-N 2 3 306.454 0.271 20 0 DCADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160962292 772142884 /nfs/dbraw/zinc/14/28/84/772142884.db2.gz BYEDWZPUHNXEEH-IIAWOOMASA-N 2 3 306.454 0.271 20 0 DCADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220164302 774715545 /nfs/dbraw/zinc/71/55/45/774715545.db2.gz ZYORNLZGCIDTEB-MUIFIZLQSA-N 2 3 306.454 0.224 20 0 DCADHP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221062898 774988174 /nfs/dbraw/zinc/98/81/74/774988174.db2.gz FDRSVNGFTHPUDO-HOTGVXAUSA-N 2 3 304.438 0.833 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221062898 774988180 /nfs/dbraw/zinc/98/81/80/774988180.db2.gz FDRSVNGFTHPUDO-HOTGVXAUSA-N 2 3 304.438 0.833 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221062898 774988186 /nfs/dbraw/zinc/98/81/86/774988186.db2.gz FDRSVNGFTHPUDO-HOTGVXAUSA-N 2 3 304.438 0.833 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245994500 945309315 /nfs/dbraw/zinc/30/93/15/945309315.db2.gz NSMVWJCGAGPXBN-FJIDUMEYSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245994500 945309325 /nfs/dbraw/zinc/30/93/25/945309325.db2.gz NSMVWJCGAGPXBN-FJIDUMEYSA-N 2 3 319.449 0.418 20 0 DCADHP O[C@]1(C[NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCCNC1 ZINC001246004651 945311119 /nfs/dbraw/zinc/31/11/19/945311119.db2.gz DTLANFRVWOLGLJ-QGZVFWFLSA-N 2 3 304.438 0.407 20 0 DCADHP O[C@]1(CNCC2(c3cccnc3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246004651 945311125 /nfs/dbraw/zinc/31/11/25/945311125.db2.gz DTLANFRVWOLGLJ-QGZVFWFLSA-N 2 3 304.438 0.407 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3C[NH2+]CC[C@@H]3C)C[C@H](C1)N2 ZINC001246113234 945339923 /nfs/dbraw/zinc/33/99/23/945339923.db2.gz PTQPYECWBRZUIY-XZFCWAJYSA-N 2 3 309.454 0.894 20 0 DCADHP C[C@@H]1C[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201539 945362825 /nfs/dbraw/zinc/36/28/25/945362825.db2.gz IBICQBOKMOEPGE-CVEARBPZSA-N 2 3 317.474 0.505 20 0 DCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246418032 945407309 /nfs/dbraw/zinc/40/73/09/945407309.db2.gz QAOOSJLZQMEHPV-ZACQAIPSSA-N 2 3 318.465 0.922 20 0 DCADHP O=C1CCC[C@@]2(C[NH2+]CCN([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)N1 ZINC001246653060 945453925 /nfs/dbraw/zinc/45/39/25/945453925.db2.gz QKXKRYVANASPPW-QAPCUYQASA-N 2 3 320.481 0.853 20 0 DCADHP CC[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672796 945458584 /nfs/dbraw/zinc/45/85/84/945458584.db2.gz MFWJYECJMXURPV-HOIZKXCTSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672796 945458587 /nfs/dbraw/zinc/45/85/87/945458587.db2.gz MFWJYECJMXURPV-HOIZKXCTSA-N 2 3 321.465 0.848 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@H]1C2 ZINC001246856345 945503706 /nfs/dbraw/zinc/50/37/06/945503706.db2.gz DQDVNMCNKUSIDS-IXYRMGKJSA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@H]1C2 ZINC001246856345 945503709 /nfs/dbraw/zinc/50/37/09/945503709.db2.gz DQDVNMCNKUSIDS-IXYRMGKJSA-N 2 3 307.438 0.457 20 0 DCADHP C[N@@H+]1CCCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681792 946651889 /nfs/dbraw/zinc/65/18/89/946651889.db2.gz CMGBOXICHMMEDL-UHFFFAOYSA-N 2 3 324.513 0.857 20 0 DCADHP C[N@H+]1CCCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681792 946651901 /nfs/dbraw/zinc/65/19/01/946651901.db2.gz CMGBOXICHMMEDL-UHFFFAOYSA-N 2 3 324.513 0.857 20 0 DCADHP CN(CCN1CC[NH2+]CC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647492824 418014104 /nfs/dbraw/zinc/01/41/04/418014104.db2.gz BVCSYLXLLGNFMZ-UHFFFAOYSA-N 2 3 320.481 0.964 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000903445272 663455237 /nfs/dbraw/zinc/45/52/37/663455237.db2.gz HURDALJXGGSGDS-LVQVYYBASA-N 2 3 308.470 0.422 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884205607 667498578 /nfs/dbraw/zinc/49/85/78/667498578.db2.gz AVIFERKLCFSOPF-MRXNPFEDSA-N 2 3 322.497 0.907 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)CC2)CC1 ZINC001578525057 1165042502 /nfs/dbraw/zinc/04/25/02/1165042502.db2.gz NHIJKOVDHCASFY-VBNZEHGJSA-N 2 3 306.454 0.269 20 0 DCADHP NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548049 1172964232 /nfs/dbraw/zinc/96/42/32/1172964232.db2.gz UGAYPZVHWDUTOM-OWCLPIDISA-N 2 3 320.441 0.142 20 0 DCADHP NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548049 1172964236 /nfs/dbraw/zinc/96/42/36/1172964236.db2.gz UGAYPZVHWDUTOM-OWCLPIDISA-N 2 3 320.441 0.142 20 0 DCADHP C[NH+](C)CCN(C(=O)[C@@H]1CNC[C@@H](F)C1)[C@@H]1CCC[NH2+]C1 ZINC001161446345 747883832 /nfs/dbraw/zinc/88/38/32/747883832.db2.gz SKUNEXWXRWWFDL-MELADBBJSA-N 2 3 300.422 0.076 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC001119618785 766749941 /nfs/dbraw/zinc/74/99/41/766749941.db2.gz RSAWLCVVLYSRMR-INIZCTEOSA-N 2 3 308.470 0.077 20 0 DCADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162598 771732203 /nfs/dbraw/zinc/73/22/03/771732203.db2.gz YPFFEYOZSRAPRO-WMLDXEAASA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162598 771732208 /nfs/dbraw/zinc/73/22/08/771732208.db2.gz YPFFEYOZSRAPRO-WMLDXEAASA-N 2 3 306.454 0.605 20 0 DCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]2C1 ZINC001161175344 772181048 /nfs/dbraw/zinc/18/10/48/772181048.db2.gz LAFYJFXWFSRNEH-XHSDSOJGSA-N 2 3 310.486 0.846 20 0 DCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]2C1 ZINC001161175344 772181051 /nfs/dbraw/zinc/18/10/51/772181051.db2.gz LAFYJFXWFSRNEH-XHSDSOJGSA-N 2 3 310.486 0.846 20 0 DCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175276 772181442 /nfs/dbraw/zinc/18/14/42/772181442.db2.gz KDZPRBUGEZJFTL-OAGGEKHMSA-N 2 3 320.481 0.661 20 0 DCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175276 772181447 /nfs/dbraw/zinc/18/14/47/772181447.db2.gz KDZPRBUGEZJFTL-OAGGEKHMSA-N 2 3 320.481 0.661 20 0 DCADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221248198 775043821 /nfs/dbraw/zinc/04/38/21/775043821.db2.gz NCBDOHJJAGMRJZ-MAUKXSAKSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221248198 775043828 /nfs/dbraw/zinc/04/38/28/775043828.db2.gz NCBDOHJJAGMRJZ-MAUKXSAKSA-N 2 3 320.481 0.899 20 0 DCADHP CN(C)CCN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031215 945209657 /nfs/dbraw/zinc/20/96/57/945209657.db2.gz UWXQAWAYQMMIPW-QGZVFWFLSA-N 2 3 308.470 0.472 20 0 DCADHP CN(C)CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031215 945209662 /nfs/dbraw/zinc/20/96/62/945209662.db2.gz UWXQAWAYQMMIPW-QGZVFWFLSA-N 2 3 308.470 0.472 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3C[NH2+]C[C@@H](C)C3)C[C@H](C1)N2 ZINC001246096154 945338490 /nfs/dbraw/zinc/33/84/90/945338490.db2.gz DCUAJZRLYDHRSI-SWQPNFBYSA-N 2 3 309.454 0.894 20 0 DCADHP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246234386 945368631 /nfs/dbraw/zinc/36/86/31/945368631.db2.gz CYCIOTQMZDCZIS-BSDSXHPESA-N 2 3 303.450 0.910 20 0 DCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246412248 945407122 /nfs/dbraw/zinc/40/71/22/945407122.db2.gz AHFVOAUIKXMSLD-NRXISQOPSA-N 2 3 312.458 0.202 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000515342231 287652420 /nfs/dbraw/zinc/65/24/20/287652420.db2.gz KXDOYUVVJBAGQD-CABCVRRESA-N 2 3 313.490 0.639 20 0 DCADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)nn1 ZINC000873242391 668067475 /nfs/dbraw/zinc/06/74/75/668067475.db2.gz BDMGTPJSRUONSD-BBRMVZONSA-N 2 3 300.410 0.943 20 0 DCADHP C[NH+](C)CCN(Cc1nc2c(s1)CNCC2)[C@H]1CCC[NH2+]C1 ZINC001236931811 770024686 /nfs/dbraw/zinc/02/46/86/770024686.db2.gz JBGNVHCEZDRQAY-ZDUSSCGKSA-N 2 3 323.510 0.904 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158547722 771788799 /nfs/dbraw/zinc/78/87/99/771788799.db2.gz PQWFDSRRCVEIPG-RYRKJORJSA-N 2 3 316.449 0.658 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001160696525 772098833 /nfs/dbraw/zinc/09/88/33/772098833.db2.gz WOMMORLJKAADAM-JKSUJKDBSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001160696525 772098840 /nfs/dbraw/zinc/09/88/40/772098840.db2.gz WOMMORLJKAADAM-JKSUJKDBSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001160696525 772098846 /nfs/dbraw/zinc/09/88/46/772098846.db2.gz WOMMORLJKAADAM-JKSUJKDBSA-N 2 3 322.497 0.908 20 0 DCADHP CC(C)(C)CN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CC[NH2+]CC1 ZINC001161259206 772192854 /nfs/dbraw/zinc/19/28/54/772192854.db2.gz ZSXMNZDZECHJLX-CQSZACIVSA-N 2 3 308.470 0.422 20 0 DCADHP CN(C)CCN(C(=O)C1CCC2(C[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161444639 772224344 /nfs/dbraw/zinc/22/43/44/772224344.db2.gz JJKVIXJVTBSHHK-INIZCTEOSA-N 2 3 322.497 0.908 20 0 DCADHP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219816136 774618947 /nfs/dbraw/zinc/61/89/47/774618947.db2.gz ASALFUAYHLSLHT-KFWWJZLASA-N 2 3 300.406 0.015 20 0 DCADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220162872 774715727 /nfs/dbraw/zinc/71/57/27/774715727.db2.gz MRQWXDSIEGIWNY-VYDXJSESSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220162872 774715728 /nfs/dbraw/zinc/71/57/28/774715728.db2.gz MRQWXDSIEGIWNY-VYDXJSESSA-N 2 3 320.481 0.899 20 0 DCADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(CO)CCN(C)CC1 ZINC001221407381 775090480 /nfs/dbraw/zinc/09/04/80/775090480.db2.gz YFEDPTMJVCPIJF-AWEZNQCLSA-N 2 3 314.474 0.055 20 0 DCADHP CN(CCC[NH3+])CCC[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001245992599 945307177 /nfs/dbraw/zinc/30/71/77/945307177.db2.gz KAHMTYBAEJWZER-DLBZAZTESA-N 2 3 308.470 0.178 20 0 DCADHP C1C([NH2+]C2CCC(N3CCOCC3)CC2)CN1C1CC[NH2+]CC1 ZINC001246214979 945363935 /nfs/dbraw/zinc/36/39/35/945363935.db2.gz LPWLQWUBDCSCTJ-UHFFFAOYSA-N 2 3 322.497 0.656 20 0 DCADHP CCOC(=O)[C@@H]1CC[C@@H](NCCC[NH2+]CCCC[NH3+])CO1 ZINC001246456687 945411581 /nfs/dbraw/zinc/41/15/81/945411581.db2.gz LGLRPQFMHIJFLB-KGLIPLIRSA-N 2 3 301.431 0.405 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246594697 945438187 /nfs/dbraw/zinc/43/81/87/945438187.db2.gz KUZJMDWCYWEQCW-MPGHIAIKSA-N 2 3 321.465 0.993 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246594697 945438190 /nfs/dbraw/zinc/43/81/90/945438190.db2.gz KUZJMDWCYWEQCW-MPGHIAIKSA-N 2 3 321.465 0.993 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]1CNCCC2 ZINC001246595379 945439704 /nfs/dbraw/zinc/43/97/04/945439704.db2.gz MPSLRKAZEBSTDK-IWSXDTNSSA-N 2 3 321.465 0.849 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]1CNCCC2 ZINC001246595379 945439714 /nfs/dbraw/zinc/43/97/14/945439714.db2.gz MPSLRKAZEBSTDK-IWSXDTNSSA-N 2 3 321.465 0.849 20 0 DCADHP COC(=O)C1C[C@@H]2CC(N3CC4(C3)CC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246636857 945448921 /nfs/dbraw/zinc/44/89/21/945448921.db2.gz GCKVFZKURUAMEF-HFDVOGEKSA-N 2 3 307.438 0.744 20 0 DCADHP CN1CCC([N@H+](C2CCNCC2)[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246986972 945538549 /nfs/dbraw/zinc/53/85/49/945538549.db2.gz CBNVLJJPHPAICR-KRWDZBQOSA-N 2 3 321.513 0.229 20 0 DCADHP CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246986972 945538556 /nfs/dbraw/zinc/53/85/56/945538556.db2.gz CBNVLJJPHPAICR-KRWDZBQOSA-N 2 3 321.513 0.229 20 0 DCADHP C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001454700663 1009272362 /nfs/dbraw/zinc/27/23/62/1009272362.db2.gz HXAGNHIPKZHUFT-ARFHVFGLSA-N 2 3 310.486 0.526 20 0 DCADHP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366715 287237411 /nfs/dbraw/zinc/23/74/11/287237411.db2.gz DVOICFACCJIXCL-HUUCEWRRSA-N 2 3 308.470 0.648 20 0 DCADHP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366715 287237414 /nfs/dbraw/zinc/23/74/14/287237414.db2.gz DVOICFACCJIXCL-HUUCEWRRSA-N 2 3 308.470 0.648 20 0 DCADHP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCCN1 ZINC000423171607 416474253 /nfs/dbraw/zinc/47/42/53/416474253.db2.gz PDXRWYHKWPDVME-IRXDYDNUSA-N 2 3 324.513 0.903 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000568765657 417176185 /nfs/dbraw/zinc/17/61/85/417176185.db2.gz SIXLOHCSTPPVPT-ROUUACIJSA-N 2 3 321.465 0.747 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000656786492 418376188 /nfs/dbraw/zinc/37/61/88/418376188.db2.gz MXCLQQAPLLMHSH-RDJZCZTQSA-N 2 3 322.497 0.895 20 0 DCADHP CSCC[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143657 668566779 /nfs/dbraw/zinc/56/67/79/668566779.db2.gz UQTUMAWMYUTTQJ-MGPQQGTHSA-N 2 3 316.515 0.265 20 0 DCADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001575682652 1164102978 /nfs/dbraw/zinc/10/29/78/1164102978.db2.gz SOYRULOMGFOJEY-ULQDDVLXSA-N 2 3 313.486 0.906 20 0 DCADHP C[NH+](C)CCNC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC001578418704 1165009307 /nfs/dbraw/zinc/00/93/07/1165009307.db2.gz OZXYTTSNZSOVMN-OAHLLOKOSA-N 2 3 310.486 0.766 20 0 DCADHP NCc1cn([C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548048 1172964574 /nfs/dbraw/zinc/96/45/74/1172964574.db2.gz UGAYPZVHWDUTOM-OAGGEKHMSA-N 2 3 320.441 0.142 20 0 DCADHP NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548048 1172964576 /nfs/dbraw/zinc/96/45/76/1172964576.db2.gz UGAYPZVHWDUTOM-OAGGEKHMSA-N 2 3 320.441 0.142 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(N)C(F)(F)F ZINC001160628523 772080210 /nfs/dbraw/zinc/08/02/10/772080210.db2.gz JCYZSUYGMDKXSM-NSHDSACASA-N 2 3 312.380 0.608 20 0 DCADHP Cc1cccc(N(C(=O)[C@@H](N)CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161303897 772199795 /nfs/dbraw/zinc/19/97/95/772199795.db2.gz OWEOIGFEHCGRHK-AWEZNQCLSA-N 2 3 305.426 0.541 20 0 DCADHP Cc1cccc(N(C(=O)[C@H](N)CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161303898 772200072 /nfs/dbraw/zinc/20/00/72/772200072.db2.gz OWEOIGFEHCGRHK-CQSZACIVSA-N 2 3 305.426 0.541 20 0 DCADHP CN(C)CCN(C(=O)C12CCC([NH3+])(CC1)C2)[C@H]1CCC[NH2+]C1 ZINC001161449681 772225526 /nfs/dbraw/zinc/22/55/26/772225526.db2.gz PMAWZFPLGRFEKB-OOHWJJMZSA-N 2 3 308.470 0.790 20 0 DCADHP N[C@@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1CC[NH2+]CC1 ZINC001218726280 774290275 /nfs/dbraw/zinc/29/02/75/774290275.db2.gz DRCRCVAOCYTGHJ-UKRRQHHQSA-N 2 3 319.409 0.088 20 0 DCADHP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218997613 774344918 /nfs/dbraw/zinc/34/49/18/774344918.db2.gz VDIZYWBAFFSLMC-ZFWWWQNUSA-N 2 3 300.406 0.511 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001219641813 774568924 /nfs/dbraw/zinc/56/89/24/774568924.db2.gz LNLMRLJZHGIMJE-XHSDSOJGSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001219641813 774568927 /nfs/dbraw/zinc/56/89/27/774568927.db2.gz LNLMRLJZHGIMJE-XHSDSOJGSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001219641813 774568930 /nfs/dbraw/zinc/56/89/30/774568930.db2.gz LNLMRLJZHGIMJE-XHSDSOJGSA-N 2 3 322.497 0.812 20 0 DCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980858 774661256 /nfs/dbraw/zinc/66/12/56/774661256.db2.gz PJOPGAFNSRTVIR-GJZGRUSLSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980858 774661260 /nfs/dbraw/zinc/66/12/60/774661260.db2.gz PJOPGAFNSRTVIR-GJZGRUSLSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980858 774661263 /nfs/dbraw/zinc/66/12/63/774661263.db2.gz PJOPGAFNSRTVIR-GJZGRUSLSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980858 774661266 /nfs/dbraw/zinc/66/12/66/774661266.db2.gz PJOPGAFNSRTVIR-GJZGRUSLSA-N 2 3 308.470 0.709 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161292 774714894 /nfs/dbraw/zinc/71/48/94/774714894.db2.gz BHYPJMWZHHQGNX-DYEKYZERSA-N 2 3 300.472 0.044 20 0 DCADHP NCc1ccc2c(n1)N(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCC2 ZINC001220377244 774787370 /nfs/dbraw/zinc/78/73/70/774787370.db2.gz PGPZIWFEYFZEBO-CXAGYDPISA-N 2 3 315.421 0.019 20 0 DCADHP CC(C)CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188031 775020662 /nfs/dbraw/zinc/02/06/62/775020662.db2.gz MTXIZUBOROSZIA-KKUMJFAQSA-N 2 3 308.470 0.550 20 0 DCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@H](C)C1 ZINC001221408543 775091607 /nfs/dbraw/zinc/09/16/07/775091607.db2.gz QJASOCUJXWFZMY-AGIUHOORSA-N 2 3 302.488 0.241 20 0 DCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@H](C)C1 ZINC001221408543 775091614 /nfs/dbraw/zinc/09/16/14/775091614.db2.gz QJASOCUJXWFZMY-AGIUHOORSA-N 2 3 302.488 0.241 20 0 DCADHP OC1(CNC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246006229 945311731 /nfs/dbraw/zinc/31/17/31/945311731.db2.gz MKIMNJFDQHTPNK-UHFFFAOYSA-N 2 3 304.438 0.450 20 0 DCADHP OC1(C[NH2+]C2(Cc3cccnc3)CCNCC2)CC[NH2+]CC1 ZINC001246006229 945311737 /nfs/dbraw/zinc/31/17/37/945311737.db2.gz MKIMNJFDQHTPNK-UHFFFAOYSA-N 2 3 304.438 0.450 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@H]3CSC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246493566 945419938 /nfs/dbraw/zinc/41/99/38/945419938.db2.gz HYQNUZNTDGSXDV-CQSZACIVSA-N 2 3 306.479 0.876 20 0 DCADHP CC1(N2CCN([C@@H]3CSC4(C[NH2+]C4)C3)CC2)CC[NH2+]CC1 ZINC001246811645 945497126 /nfs/dbraw/zinc/49/71/26/945497126.db2.gz GDZOMKXOCWCRCT-AWEZNQCLSA-N 2 3 310.511 0.594 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782316 418376480 /nfs/dbraw/zinc/37/64/80/418376480.db2.gz FARDBIHMTDIVFS-RDJZCZTQSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782316 418376483 /nfs/dbraw/zinc/37/64/83/418376483.db2.gz FARDBIHMTDIVFS-RDJZCZTQSA-N 2 3 322.497 0.895 20 0 DCADHP OCC[NH+]1CCC(CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425897994 271421966 /nfs/dbraw/zinc/42/19/66/271421966.db2.gz XCDPYICWNKDXTN-UHFFFAOYSA-N 2 3 322.453 0.936 20 0 DCADHP O[C@@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903785055 663484994 /nfs/dbraw/zinc/48/49/94/663484994.db2.gz VMVDOFLYVIIOAI-FGTMMUONSA-N 2 3 322.497 0.344 20 0 DCADHP CC(C)[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C ZINC000870020096 667698858 /nfs/dbraw/zinc/69/88/58/667698858.db2.gz CMUCQXJLECWUGD-BZUAXINKSA-N 2 3 312.502 0.770 20 0 DCADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC001772537311 1157547341 /nfs/dbraw/zinc/54/73/41/1157547341.db2.gz JDQPIZTZXTUHHM-JKSUJKDBSA-N 2 3 309.454 0.600 20 0 DCADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC001772537311 1157547345 /nfs/dbraw/zinc/54/73/45/1157547345.db2.gz JDQPIZTZXTUHHM-JKSUJKDBSA-N 2 3 309.454 0.600 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780259 772110594 /nfs/dbraw/zinc/11/05/94/772110594.db2.gz PCBOARALNKSIKQ-INMHGKMJSA-N 2 3 302.422 0.052 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)CC1 ZINC001160991695 772146409 /nfs/dbraw/zinc/14/64/09/772146409.db2.gz FLQKFJZDMGLWEG-HNNXBMFYSA-N 2 3 308.470 0.648 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@H]12 ZINC001161413749 772219416 /nfs/dbraw/zinc/21/94/16/772219416.db2.gz RDRITDIBSPJGSP-YQFWSFKMSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@H]12 ZINC001161413749 772219419 /nfs/dbraw/zinc/21/94/19/772219419.db2.gz RDRITDIBSPJGSP-YQFWSFKMSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CCNCC4)C3)C[C@H]12 ZINC001161413749 772219422 /nfs/dbraw/zinc/21/94/22/772219422.db2.gz RDRITDIBSPJGSP-YQFWSFKMSA-N 2 3 320.481 0.646 20 0 DCADHP CN(C)CCN(C(=O)C1CC2(CC([NH3+])C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444029 772224448 /nfs/dbraw/zinc/22/44/48/772224448.db2.gz AADGQWCQGHMLRY-LETWWHAPSA-N 2 3 308.470 0.646 20 0 DCADHP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219022114 774349201 /nfs/dbraw/zinc/34/92/01/774349201.db2.gz BLYBVCGHKULUQP-OAHLLOKOSA-N 2 3 302.422 0.538 20 0 DCADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672798 945457702 /nfs/dbraw/zinc/45/77/02/945457702.db2.gz MFWJYECJMXURPV-XDPVHMEUSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672798 945457707 /nfs/dbraw/zinc/45/77/07/945457707.db2.gz MFWJYECJMXURPV-XDPVHMEUSA-N 2 3 321.465 0.848 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418484673 285244376 /nfs/dbraw/zinc/24/43/76/285244376.db2.gz GSUGGUKBYPLUBP-LSDHHAIUSA-N 2 3 313.490 0.639 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418484673 285244377 /nfs/dbraw/zinc/24/43/77/285244377.db2.gz GSUGGUKBYPLUBP-LSDHHAIUSA-N 2 3 313.490 0.639 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563946143 396797651 /nfs/dbraw/zinc/79/76/51/396797651.db2.gz FXCQVADGJYUWRJ-OAHLLOKOSA-N 2 3 313.490 0.511 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1C[NH2+]C1 ZINC000418490282 416387621 /nfs/dbraw/zinc/38/76/21/416387621.db2.gz PZPCRZTXWGBCAV-HNNXBMFYSA-N 2 3 311.474 0.263 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1C[NH2+]C1 ZINC000418490282 416387622 /nfs/dbraw/zinc/38/76/22/416387622.db2.gz PZPCRZTXWGBCAV-HNNXBMFYSA-N 2 3 311.474 0.263 20 0 DCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991513 417553829 /nfs/dbraw/zinc/55/38/29/417553829.db2.gz HLMKCLNHQFWQSK-XHSDSOJGSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991513 417553833 /nfs/dbraw/zinc/55/38/33/417553833.db2.gz HLMKCLNHQFWQSK-XHSDSOJGSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](C[NH3+])CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991513 417553839 /nfs/dbraw/zinc/55/38/39/417553839.db2.gz HLMKCLNHQFWQSK-XHSDSOJGSA-N 2 3 310.486 0.798 20 0 DCADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c2)nn1 ZINC000873242393 668067952 /nfs/dbraw/zinc/06/79/52/668067952.db2.gz BDMGTPJSRUONSD-CZUORRHYSA-N 2 3 300.410 0.943 20 0 DCADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001575682651 1164102529 /nfs/dbraw/zinc/10/25/29/1164102529.db2.gz SOYRULOMGFOJEY-GVDBMIGSSA-N 2 3 313.486 0.906 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COC1CC[NH2+]CC1 ZINC001579397233 1165296904 /nfs/dbraw/zinc/29/69/04/1165296904.db2.gz NBAXQVHJRLOMTR-AWEZNQCLSA-N 2 3 314.474 0.143 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COC1CC[NH2+]CC1 ZINC001579397233 1165296911 /nfs/dbraw/zinc/29/69/11/1165296911.db2.gz NBAXQVHJRLOMTR-AWEZNQCLSA-N 2 3 314.474 0.143 20 0 DCADHP CN(C)CCN1CC[N@@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC001168327888 749918996 /nfs/dbraw/zinc/91/89/96/749918996.db2.gz RXVWYMABYRHUNU-UHFFFAOYSA-N 2 3 310.486 0.955 20 0 DCADHP CN(C)CCN1CC[N@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC001168327888 749919000 /nfs/dbraw/zinc/91/90/00/749919000.db2.gz RXVWYMABYRHUNU-UHFFFAOYSA-N 2 3 310.486 0.955 20 0 DCADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169696 763570855 /nfs/dbraw/zinc/57/08/55/763570855.db2.gz RFHJUGGLYQTTLC-AWEZNQCLSA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169696 763570863 /nfs/dbraw/zinc/57/08/63/763570863.db2.gz RFHJUGGLYQTTLC-AWEZNQCLSA-N 2 3 306.454 0.605 20 0 DCADHP N[C@@H](CCC[NH3+])Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170898493 766249335 /nfs/dbraw/zinc/24/93/35/766249335.db2.gz COUROSDAWLJRNU-UONOGXRCSA-N 2 3 303.410 0.273 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001160628899 772080376 /nfs/dbraw/zinc/08/03/76/772080376.db2.gz IINHNPBGYRGZTR-OAHLLOKOSA-N 2 3 324.473 0.012 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001160696519 772098059 /nfs/dbraw/zinc/09/80/59/772098059.db2.gz WOMMORLJKAADAM-HOTGVXAUSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001160696519 772098064 /nfs/dbraw/zinc/09/80/64/772098064.db2.gz WOMMORLJKAADAM-HOTGVXAUSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001160696519 772098068 /nfs/dbraw/zinc/09/80/68/772098068.db2.gz WOMMORLJKAADAM-HOTGVXAUSA-N 2 3 322.497 0.908 20 0 DCADHP CC[C@@]1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161444289 772224799 /nfs/dbraw/zinc/22/47/99/772224799.db2.gz FZFFBNSDNDMEOT-NVXWUHKLSA-N 2 3 310.486 0.908 20 0 DCADHP N[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CC[NH2+]CC1 ZINC001218533213 774239822 /nfs/dbraw/zinc/23/98/22/774239822.db2.gz LAVIWSQQCZNYMC-JOYOIKCWSA-N 2 3 309.439 0.225 20 0 DCADHP C[NH+](C)CCc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001219022142 774349339 /nfs/dbraw/zinc/34/93/39/774349339.db2.gz CMZSEAMBSQIPAU-CRAIPNDOSA-N 2 3 316.449 0.928 20 0 DCADHP O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219027872 774350098 /nfs/dbraw/zinc/35/00/98/774350098.db2.gz FQOQGWCSRPEVES-CXAGYDPISA-N 2 3 316.405 0.306 20 0 DCADHP N[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)C1CC[NH2+]CC1 ZINC001219537851 774528772 /nfs/dbraw/zinc/52/87/72/774528772.db2.gz QSCCYYCJANPRFL-PJODQICGSA-N 2 3 316.405 0.400 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789725 774916467 /nfs/dbraw/zinc/91/64/67/774916467.db2.gz MSKQQHZPBYBWQY-KKUMJFAQSA-N 2 3 305.426 0.305 20 0 DCADHP [NH3+]CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(F)cc1 ZINC001221060940 774988005 /nfs/dbraw/zinc/98/80/05/774988005.db2.gz UQNRKHHVCLFSKA-MLGOLLRUSA-N 2 3 306.385 0.317 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3C[NH2+]CC[C@H]3C)C[C@H](C1)N2 ZINC001246113231 945340982 /nfs/dbraw/zinc/34/09/82/945340982.db2.gz PTQPYECWBRZUIY-QGVMDWIISA-N 2 3 309.454 0.894 20 0 DCADHP FC1CC[NH+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246822286 945499334 /nfs/dbraw/zinc/49/93/34/945499334.db2.gz XZQJMDWKNKHFAO-INIZCTEOSA-N 2 3 310.461 0.979 20 0 DCADHP C[NH+](C)C[C@H]1CN(C(=O)C2(N)CC3(CCC3)C2)C[C@@H]1C[NH+](C)C ZINC001552850127 1015552817 /nfs/dbraw/zinc/55/28/17/1015552817.db2.gz YPJJMJWNISOASJ-GJZGRUSLSA-N 2 3 322.497 0.846 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612976533 397168465 /nfs/dbraw/zinc/16/84/65/397168465.db2.gz ZGGPWASLZHBEHG-CQSZACIVSA-N 2 3 311.474 0.263 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000626958700 417186174 /nfs/dbraw/zinc/18/61/74/417186174.db2.gz RPWFLGGLHVIBOX-CQSZACIVSA-N 2 3 309.458 0.206 20 0 DCADHP CC[NH+](CC)CCOC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000649414323 418252510 /nfs/dbraw/zinc/25/25/10/418252510.db2.gz SWSTZZVVLFNHJR-UHFFFAOYSA-N 2 3 312.502 0.714 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418520753 262280915 /nfs/dbraw/zinc/28/09/15/262280915.db2.gz HNTBDQUSUOXMLT-HUUCEWRRSA-N 2 3 313.490 0.781 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418520753 262280917 /nfs/dbraw/zinc/28/09/17/262280917.db2.gz HNTBDQUSUOXMLT-HUUCEWRRSA-N 2 3 313.490 0.781 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364041563 279306404 /nfs/dbraw/zinc/30/64/04/279306404.db2.gz XSYWJCMBHQXGRZ-QLFBSQMISA-N 2 3 309.458 0.448 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364041563 279306406 /nfs/dbraw/zinc/30/64/06/279306406.db2.gz XSYWJCMBHQXGRZ-QLFBSQMISA-N 2 3 309.458 0.448 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000903739967 663478689 /nfs/dbraw/zinc/47/86/89/663478689.db2.gz BSRPNOGIPSKFGL-ULQDDVLXSA-N 2 3 322.497 0.956 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000903739963 663478745 /nfs/dbraw/zinc/47/87/45/663478745.db2.gz BSRPNOGIPSKFGL-IKGGRYGDSA-N 2 3 322.497 0.956 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903959777 663497883 /nfs/dbraw/zinc/49/78/83/663497883.db2.gz OEBSWCOTLRWPBC-DOTOQJQBSA-N 2 3 308.470 0.649 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903959777 663497884 /nfs/dbraw/zinc/49/78/84/663497884.db2.gz OEBSWCOTLRWPBC-DOTOQJQBSA-N 2 3 308.470 0.649 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336840 771760963 /nfs/dbraw/zinc/76/09/63/771760963.db2.gz NWVZZJFFEGFLAA-SOUVJXGZSA-N 2 3 320.462 0.103 20 0 DCADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160962294 772142879 /nfs/dbraw/zinc/14/28/79/772142879.db2.gz BYEDWZPUHNXEEH-IJEWVQPXSA-N 2 3 306.454 0.271 20 0 DCADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160962294 772142881 /nfs/dbraw/zinc/14/28/81/772142881.db2.gz BYEDWZPUHNXEEH-IJEWVQPXSA-N 2 3 306.454 0.271 20 0 DCADHP CC(C)(C)CN(C(=O)[C@@H](N)CSCC[NH3+])C1CC[NH2+]CC1 ZINC001161262096 772192590 /nfs/dbraw/zinc/19/25/90/772192590.db2.gz SUWDMNRZYNTQHT-ZDUSSCGKSA-N 2 3 316.515 0.632 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386892 772215893 /nfs/dbraw/zinc/21/58/93/772215893.db2.gz MUNMDPQHGFKMFC-CYBMUJFWSA-N 2 3 309.389 0.372 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424076 772221623 /nfs/dbraw/zinc/22/16/23/772221623.db2.gz XYQGUXONZDIZRK-INIZCTEOSA-N 2 3 304.438 0.833 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930088 774649520 /nfs/dbraw/zinc/64/95/20/774649520.db2.gz XFDGZCQVERLPKH-CQSZACIVSA-N 2 3 305.426 0.231 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930087 774649818 /nfs/dbraw/zinc/64/98/18/774649818.db2.gz XFDGZCQVERLPKH-AWEZNQCLSA-N 2 3 305.426 0.231 20 0 DCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001220902975 774948215 /nfs/dbraw/zinc/94/82/15/774948215.db2.gz HEJYTFJYLBVKOP-MRXNPFEDSA-N 2 3 316.449 0.345 20 0 DCADHP [NH3+]CCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926599 774954586 /nfs/dbraw/zinc/95/45/86/774954586.db2.gz SMMOXAAUSCNCIN-INIZCTEOSA-N 2 3 319.453 0.476 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220940582 774958445 /nfs/dbraw/zinc/95/84/45/774958445.db2.gz ALZQAWFDSLVJBN-JHJVBQTASA-N 2 3 306.414 0.146 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001246031675 945324509 /nfs/dbraw/zinc/32/45/09/945324509.db2.gz DWJHVFYSSMVIKY-ZWKOTPCHSA-N 2 3 303.450 0.849 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCCCNC3)C[C@H]1C2 ZINC001246868727 945509830 /nfs/dbraw/zinc/50/98/30/945509830.db2.gz KWUWFMZALBVTPA-HNLJFRNMSA-N 2 3 307.438 0.459 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCCCNC3)C[C@H]1C2 ZINC001246868727 945509833 /nfs/dbraw/zinc/50/98/33/945509833.db2.gz KWUWFMZALBVTPA-HNLJFRNMSA-N 2 3 307.438 0.459 20 0 DCADHP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662262184 418395034 /nfs/dbraw/zinc/39/50/34/418395034.db2.gz SGFDEYZTBAWJHF-HOCLYGCPSA-N 2 3 311.470 0.532 20 0 DCADHP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662262184 418395036 /nfs/dbraw/zinc/39/50/36/418395036.db2.gz SGFDEYZTBAWJHF-HOCLYGCPSA-N 2 3 311.470 0.532 20 0 DCADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001575682653 1164102177 /nfs/dbraw/zinc/10/21/77/1164102177.db2.gz SOYRULOMGFOJEY-YESZJQIVSA-N 2 3 313.486 0.906 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC001580207380 1165536546 /nfs/dbraw/zinc/53/65/46/1165536546.db2.gz SULQSOOAPFNBLV-KRWDZBQOSA-N 2 3 322.497 0.895 20 0 DCADHP [NH3+]C12CC(CN3CCN(C4=NOC5(C4)CC[NH2+]CC5)CC3)(C1)C2 ZINC001235205358 769779455 /nfs/dbraw/zinc/77/94/55/769779455.db2.gz LFIGIXDRWLWLQW-UHFFFAOYSA-N 2 3 319.453 0.341 20 0 DCADHP C[NH+](C)CCN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001236918573 770021345 /nfs/dbraw/zinc/02/13/45/770021345.db2.gz BHCDTLQZUXYXEM-UHFFFAOYSA-N 2 3 323.510 0.904 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444414 772224388 /nfs/dbraw/zinc/22/43/88/772224388.db2.gz HKPPIBFNVHFENV-QPSCCSFWSA-N 2 3 308.470 0.373 20 0 DCADHP N[C@@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218937285 774332583 /nfs/dbraw/zinc/33/25/83/774332583.db2.gz QBBCSQQNCBTIDP-MRXNPFEDSA-N 2 3 302.422 0.640 20 0 DCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980860 774661674 /nfs/dbraw/zinc/66/16/74/774661674.db2.gz PJOPGAFNSRTVIR-LSDHHAIUSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980860 774661676 /nfs/dbraw/zinc/66/16/76/774661676.db2.gz PJOPGAFNSRTVIR-LSDHHAIUSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980860 774661678 /nfs/dbraw/zinc/66/16/78/774661678.db2.gz PJOPGAFNSRTVIR-LSDHHAIUSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980860 774661681 /nfs/dbraw/zinc/66/16/81/774661681.db2.gz PJOPGAFNSRTVIR-LSDHHAIUSA-N 2 3 308.470 0.709 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538148 774839251 /nfs/dbraw/zinc/83/92/51/774839251.db2.gz DETRUCNKXXAMIL-UZZMVUAXSA-N 2 3 308.470 0.809 20 0 DCADHP N[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220918981 774951203 /nfs/dbraw/zinc/95/12/03/774951203.db2.gz NRFUVZPTOZOGKI-GDBMZVCRSA-N 2 3 308.470 0.837 20 0 DCADHP N[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220918981 774951205 /nfs/dbraw/zinc/95/12/05/774951205.db2.gz NRFUVZPTOZOGKI-GDBMZVCRSA-N 2 3 308.470 0.837 20 0 DCADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246338872 945388462 /nfs/dbraw/zinc/38/84/62/945388462.db2.gz GZNANDQIZBGFTO-OAGGEKHMSA-N 2 3 301.438 0.416 20 0 DCADHP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CCN2 ZINC001246411273 945406578 /nfs/dbraw/zinc/40/65/78/945406578.db2.gz UFJIPIGZFFHNAY-BZUAXINKSA-N 2 3 308.470 0.313 20 0 DCADHP O=C1CN(C2CCC3(CC[NH2+]CC3)CC2)CC2(CC[NH2+]CC2)N1 ZINC001246626938 945445942 /nfs/dbraw/zinc/44/59/42/945445942.db2.gz LOEOKZPMWUAKHI-UHFFFAOYSA-N 2 3 320.481 0.853 20 0 DCADHP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672795 945458029 /nfs/dbraw/zinc/45/80/29/945458029.db2.gz MFWJYECJMXURPV-DBDULZNHSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672795 945458035 /nfs/dbraw/zinc/45/80/35/945458035.db2.gz MFWJYECJMXURPV-DBDULZNHSA-N 2 3 321.465 0.848 20 0 DCADHP CC[NH+](CC)CCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246833573 945502392 /nfs/dbraw/zinc/50/23/92/945502392.db2.gz IAWMPMRYSFRJSF-KRWDZBQOSA-N 2 3 323.529 0.430 20 0 DCADHP C[NH2+]C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000659444678 418098125 /nfs/dbraw/zinc/09/81/25/418098125.db2.gz GRKKBTFQMSDONO-ZDUSSCGKSA-N 2 3 311.474 0.452 20 0 DCADHP CC[NH2+]CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000418320932 262274857 /nfs/dbraw/zinc/27/48/57/262274857.db2.gz XCYJFIRKSZQSEI-HNNXBMFYSA-N 2 3 313.490 0.653 20 0 DCADHP CC[NH2+]CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000418320932 262274858 /nfs/dbraw/zinc/27/48/58/262274858.db2.gz XCYJFIRKSZQSEI-HNNXBMFYSA-N 2 3 313.490 0.653 20 0 DCADHP C[NH+]1CCC(CN2CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)CC1 ZINC001236434370 770011327 /nfs/dbraw/zinc/01/13/27/770011327.db2.gz RLKNZUPMXZZTEQ-INIZCTEOSA-N 2 3 310.486 0.670 20 0 DCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461760 772043709 /nfs/dbraw/zinc/04/37/09/772043709.db2.gz XANDREVVDRFMJW-HUUCEWRRSA-N 2 3 306.454 0.272 20 0 DCADHP CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160482494 772047180 /nfs/dbraw/zinc/04/71/80/772047180.db2.gz IXHBMALJLKLRPZ-ZDUSSCGKSA-N 2 3 302.488 0.338 20 0 DCADHP C[NH+]1CCC(C[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001207399385 773199894 /nfs/dbraw/zinc/19/98/94/773199894.db2.gz LIGXPDVVHLZXMD-UHFFFAOYSA-N 2 3 322.497 0.990 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725008 774289447 /nfs/dbraw/zinc/28/94/47/774289447.db2.gz MKOPCKNDZUILPS-CYBMUJFWSA-N 2 3 306.414 0.014 20 0 DCADHP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218997608 774344904 /nfs/dbraw/zinc/34/49/04/774344904.db2.gz VDIZYWBAFFSLMC-HIFRSBDPSA-N 2 3 300.406 0.511 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219536885 774528105 /nfs/dbraw/zinc/52/81/05/774528105.db2.gz GETPESVIHOLSMO-UHIISALHSA-N 2 3 304.394 0.529 20 0 DCADHP NC1=CC=C(C2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)NC1 ZINC001221393181 775084946 /nfs/dbraw/zinc/08/49/46/775084946.db2.gz XXRMCSAETSYSSS-AWEZNQCLSA-N 2 3 321.469 0.401 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245980496 945305536 /nfs/dbraw/zinc/30/55/36/945305536.db2.gz BJLRNMJDCGMXTJ-SFFUCWETSA-N 2 3 319.449 0.131 20 0 DCADHP O=C1NCC[C@]12C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CC21CNC1 ZINC001246628848 945446499 /nfs/dbraw/zinc/44/64/99/945446499.db2.gz PBJVLQCOKNJTJI-PVARCSIZSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+](C1CCC3(CC[NH2+]C3)CC1)CC21CNC1 ZINC001246628848 945446503 /nfs/dbraw/zinc/44/65/03/945446503.db2.gz PBJVLQCOKNJTJI-PVARCSIZSA-N 2 3 318.465 0.320 20 0 DCADHP CC1(N2CCN([C@H]3CSC4(C[NH2+]C4)C3)CC2)CC[NH2+]CC1 ZINC001246811646 945497010 /nfs/dbraw/zinc/49/70/10/945497010.db2.gz GDZOMKXOCWCRCT-CQSZACIVSA-N 2 3 310.511 0.594 20 0 DCADHP Cc1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001246957229 945523620 /nfs/dbraw/zinc/52/36/20/945523620.db2.gz APSCRVZWKVWFFW-INIZCTEOSA-N 2 3 301.438 0.606 20 0 DCADHP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662245357 418393170 /nfs/dbraw/zinc/39/31/70/418393170.db2.gz UTYSRFHLQKDEGG-INIZCTEOSA-N 2 3 316.449 0.619 20 0 DCADHP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662245357 418393172 /nfs/dbraw/zinc/39/31/72/418393172.db2.gz UTYSRFHLQKDEGG-INIZCTEOSA-N 2 3 316.449 0.619 20 0 DCADHP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662280456 546374534 /nfs/dbraw/zinc/37/45/34/546374534.db2.gz DRZYJHATAKHDIJ-XHSDSOJGSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903746116 663476829 /nfs/dbraw/zinc/47/68/29/663476829.db2.gz FNXFXINMISOYMN-ZMSDIMECSA-N 2 3 324.469 0.075 20 0 DCADHP [NH3+][C@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980777 663498994 /nfs/dbraw/zinc/49/89/94/663498994.db2.gz ZPTAZUXLNGKLDD-BNOWGMLFSA-N 2 3 302.413 0.870 20 0 DCADHP [NH3+][C@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980777 663498996 /nfs/dbraw/zinc/49/89/96/663498996.db2.gz ZPTAZUXLNGKLDD-BNOWGMLFSA-N 2 3 302.413 0.870 20 0 DCADHP [NH3+][C@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980777 663498997 /nfs/dbraw/zinc/49/89/97/663498997.db2.gz ZPTAZUXLNGKLDD-BNOWGMLFSA-N 2 3 302.413 0.870 20 0 DCADHP C[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001578525143 1165042360 /nfs/dbraw/zinc/04/23/60/1165042360.db2.gz RXYIPEDCRCHPMD-JKSUJKDBSA-N 2 3 322.497 0.908 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579397278 1165297467 /nfs/dbraw/zinc/29/74/67/1165297467.db2.gz PEZYRFUSXGUPPJ-ILXRZTDVSA-N 2 3 313.490 0.413 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579397278 1165297473 /nfs/dbraw/zinc/29/74/73/1165297473.db2.gz PEZYRFUSXGUPPJ-ILXRZTDVSA-N 2 3 313.490 0.413 20 0 DCADHP [NH3+]CCNC(=O)c1cccc(CN2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235338234 769817799 /nfs/dbraw/zinc/81/77/99/769817799.db2.gz DZYYUZJFDNINEX-UHFFFAOYSA-N 2 3 316.449 0.807 20 0 DCADHP C[NH+](C)CCOCc1ncn2c1CN(CCCC[NH3+])CCC2 ZINC001235638283 769919867 /nfs/dbraw/zinc/91/98/67/769919867.db2.gz XTZCWAQBBSNKFC-UHFFFAOYSA-N 2 3 309.458 0.906 20 0 DCADHP CN(C)CCN(C(=O)C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444640 772224709 /nfs/dbraw/zinc/22/47/09/772224709.db2.gz JJKVIXJVTBSHHK-MRXNPFEDSA-N 2 3 322.497 0.908 20 0 DCADHP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001219582594 774544997 /nfs/dbraw/zinc/54/49/97/774544997.db2.gz GKDOLYAEPZWCNY-ZNMIVQPWSA-N 2 3 308.470 0.707 20 0 DCADHP O=C(NCCC[NH2+]C1CCCCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219952512 774655079 /nfs/dbraw/zinc/65/50/79/774655079.db2.gz WYBQZSAGBVFKNE-RHSMWYFYSA-N 2 3 308.470 0.614 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002540 774974803 /nfs/dbraw/zinc/97/48/03/774974803.db2.gz SHLVJVYHCCBLPJ-BZUAXINKSA-N 2 3 319.453 0.746 20 0 DCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H](C)C1 ZINC001221409425 775091922 /nfs/dbraw/zinc/09/19/22/775091922.db2.gz UEJKSIFDNZKVKQ-QSJFSLAZSA-N 2 3 308.470 0.421 20 0 DCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H](C)C1 ZINC001221409425 775091930 /nfs/dbraw/zinc/09/19/30/775091930.db2.gz UEJKSIFDNZKVKQ-QSJFSLAZSA-N 2 3 308.470 0.421 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632176 945447201 /nfs/dbraw/zinc/44/72/01/945447201.db2.gz ZYPQJPXQXSOWHT-HFTRVMKXSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632176 945447207 /nfs/dbraw/zinc/44/72/07/945447207.db2.gz ZYPQJPXQXSOWHT-HFTRVMKXSA-N 2 3 318.465 0.320 20 0 DCADHP C1NCC12C[C@H]([NH+]1CCC(OC3CC[NH2+]CC3)CC1)CCO2 ZINC001246664538 945456526 /nfs/dbraw/zinc/45/65/26/945456526.db2.gz RSHKHPABLTYGCY-CQSZACIVSA-N 2 3 309.454 0.740 20 0 DCADHP CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246985875 945537076 /nfs/dbraw/zinc/53/70/76/945537076.db2.gz AIEMFJPHYWABCE-QGZVFWFLSA-N 2 3 322.497 0.656 20 0 DCADHP CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)CC1 ZINC001246985875 945537082 /nfs/dbraw/zinc/53/70/82/945537082.db2.gz AIEMFJPHYWABCE-QGZVFWFLSA-N 2 3 322.497 0.656 20 0 DCADHP O=C(CN1CCC2(C1)CC[NH2+]CC2)NC1CC[NH+](C2CC2)CC1 ZINC000358497080 271052098 /nfs/dbraw/zinc/05/20/98/271052098.db2.gz AFJGOQGONMWHNS-UHFFFAOYSA-N 2 3 320.481 0.805 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000515342233 287652518 /nfs/dbraw/zinc/65/25/18/287652518.db2.gz KXDOYUVVJBAGQD-HUUCEWRRSA-N 2 3 313.490 0.639 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCCCC1 ZINC000582111960 333268985 /nfs/dbraw/zinc/26/89/85/333268985.db2.gz WDSQHXVJHPPREC-UHFFFAOYSA-N 2 3 313.490 0.783 20 0 DCADHP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662280454 546374606 /nfs/dbraw/zinc/37/46/06/546374606.db2.gz DRZYJHATAKHDIJ-BZUAXINKSA-N 2 3 309.454 0.726 20 0 DCADHP C[NH+](C)CCOc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000667068604 546553195 /nfs/dbraw/zinc/55/31/95/546553195.db2.gz MXXDIFSICSASGJ-UHFFFAOYSA-N 2 3 307.438 0.913 20 0 DCADHP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000891462462 658879521 /nfs/dbraw/zinc/87/95/21/658879521.db2.gz RGIOLWDJQQEPLW-UONOGXRCSA-N 2 3 323.485 0.676 20 0 DCADHP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873582 663490952 /nfs/dbraw/zinc/49/09/52/663490952.db2.gz UAKKWIIFDCSCJR-AVOUXACISA-N 2 3 315.483 0.778 20 0 DCADHP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873582 663490953 /nfs/dbraw/zinc/49/09/53/663490953.db2.gz UAKKWIIFDCSCJR-AVOUXACISA-N 2 3 315.483 0.778 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)CC2)CC1 ZINC001772052168 1190599928 /nfs/dbraw/zinc/59/99/28/1190599928.db2.gz WXJFJNQFPUXZIR-CTYIDZIISA-N 2 3 323.485 0.582 20 0 DCADHP CC[C@H]1[NH2+]CC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001578238982 1164959356 /nfs/dbraw/zinc/95/93/56/1164959356.db2.gz NUQMICXTHWPTJU-ZNMIVQPWSA-N 2 3 313.490 0.698 20 0 DCADHP CC[C@H]1[NH2+]CC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001578238982 1164959363 /nfs/dbraw/zinc/95/93/63/1164959363.db2.gz NUQMICXTHWPTJU-ZNMIVQPWSA-N 2 3 313.490 0.698 20 0 DCADHP CC(C)(C)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001161261544 748509955 /nfs/dbraw/zinc/50/99/55/748509955.db2.gz FUPONMDKNOEHOM-HNNXBMFYSA-N 2 3 310.486 0.940 20 0 DCADHP [NH3+]CC1CN([C@@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)C1 ZINC001236079515 769979636 /nfs/dbraw/zinc/97/96/36/769979636.db2.gz NUSHOQYFVYTUCM-MRXNPFEDSA-N 2 3 303.454 0.446 20 0 DCADHP [NH3+]C1CCN(c2cccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)n2)CC1 ZINC001155543701 770540254 /nfs/dbraw/zinc/54/02/54/770540254.db2.gz OFYUMTRAGNZHML-CZUORRHYSA-N 2 3 303.410 0.552 20 0 DCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028672 771714827 /nfs/dbraw/zinc/71/48/27/771714827.db2.gz UDAHAMNSKPBIKK-DOTOQJQBSA-N 2 3 320.481 0.568 20 0 DCADHP [NH3+][C@@H](C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158337067 771761115 /nfs/dbraw/zinc/76/11/15/771761115.db2.gz PVDBNJGCFUZKIQ-GVDBMIGSSA-N 2 3 314.433 0.411 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968598 771840861 /nfs/dbraw/zinc/84/08/61/771840861.db2.gz UCFTZRDFXNYPKF-OAHLLOKOSA-N 2 3 308.470 0.920 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968598 771840865 /nfs/dbraw/zinc/84/08/65/771840865.db2.gz UCFTZRDFXNYPKF-OAHLLOKOSA-N 2 3 308.470 0.920 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698489 772098332 /nfs/dbraw/zinc/09/83/32/772098332.db2.gz KSHHHLOVKAATLS-AWEZNQCLSA-N 2 3 302.422 0.721 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698490 772098342 /nfs/dbraw/zinc/09/83/42/772098342.db2.gz KSHHHLOVKAATLS-CQSZACIVSA-N 2 3 302.422 0.721 20 0 DCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]2C1 ZINC001161175343 772181266 /nfs/dbraw/zinc/18/12/66/772181266.db2.gz LAFYJFXWFSRNEH-OAGGEKHMSA-N 2 3 310.486 0.846 20 0 DCADHP CN(C)CCN(C(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)[C@H]1CCC[NH2+]C1 ZINC001161444050 772224623 /nfs/dbraw/zinc/22/46/23/772224623.db2.gz ASFDKNIKZQEZEG-ZJIFWQFVSA-N 2 3 324.469 0.038 20 0 DCADHP N[C@@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001219119218 774378540 /nfs/dbraw/zinc/37/85/40/774378540.db2.gz VQVKRTJLZZTQMG-MRXNPFEDSA-N 2 3 317.437 0.362 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612864 774556858 /nfs/dbraw/zinc/55/68/58/774556858.db2.gz GOAGCJDVWVFKCL-WCQYABFASA-N 2 3 324.391 0.893 20 0 DCADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220162869 774715686 /nfs/dbraw/zinc/71/56/86/774715686.db2.gz MRQWXDSIEGIWNY-HLLBOEOZSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220162869 774715692 /nfs/dbraw/zinc/71/56/92/774715692.db2.gz MRQWXDSIEGIWNY-HLLBOEOZSA-N 2 3 320.481 0.899 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976603 945303361 /nfs/dbraw/zinc/30/33/61/945303361.db2.gz DXIHLFZSSHHJNW-TWMKSMIVSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976603 945303365 /nfs/dbraw/zinc/30/33/65/945303365.db2.gz DXIHLFZSSHHJNW-TWMKSMIVSA-N 2 3 305.422 0.028 20 0 DCADHP CN(C)CC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276658560 944250438 /nfs/dbraw/zinc/25/04/38/944250438.db2.gz QBOZADKAWCSYFV-GJZGRUSLSA-N 2 3 322.497 0.716 20 0 DCADHP CN(C)CC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276658560 944250443 /nfs/dbraw/zinc/25/04/43/944250443.db2.gz QBOZADKAWCSYFV-GJZGRUSLSA-N 2 3 322.497 0.716 20 0 DCADHP O=C1NCC[C@@]12C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631430 945446970 /nfs/dbraw/zinc/44/69/70/945446970.db2.gz XIVCGFWPJZPSDZ-KBXCAEBGSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@@]12C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631430 945446974 /nfs/dbraw/zinc/44/69/74/945446974.db2.gz XIVCGFWPJZPSDZ-KBXCAEBGSA-N 2 3 318.465 0.320 20 0 DCADHP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859984 945508282 /nfs/dbraw/zinc/50/82/82/945508282.db2.gz RFQMGBRAVNFNHK-XDPVHMEUSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859984 945508287 /nfs/dbraw/zinc/50/82/87/945508287.db2.gz RFQMGBRAVNFNHK-XDPVHMEUSA-N 2 3 321.465 0.848 20 0 DCADHP c1cc(N2CC[NH2+]CC2)cc(N[C@H](C2CC2)[C@@H]2CNCCO2)[nH+]1 ZINC000635009682 417556087 /nfs/dbraw/zinc/55/60/87/417556087.db2.gz HRNYDQWVHYBQOY-DOTOQJQBSA-N 2 3 317.437 0.670 20 0 DCADHP C[NH2+]C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000659444677 418097840 /nfs/dbraw/zinc/09/78/40/418097840.db2.gz GRKKBTFQMSDONO-CYBMUJFWSA-N 2 3 311.474 0.452 20 0 DCADHP C(C[NH+]1CCCC1)OC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000649413781 418252314 /nfs/dbraw/zinc/25/23/14/418252314.db2.gz CZQKTONMEPZECD-UHFFFAOYSA-N 2 3 310.486 0.468 20 0 DCADHP C[NH+]1CCN(Cc2cn3c(n2)CN(CCCC[NH3+])CC3)CC1 ZINC001235540982 769883771 /nfs/dbraw/zinc/88/37/71/769883771.db2.gz GKARNEJKNDJAGH-UHFFFAOYSA-N 2 3 306.458 0.185 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291317 771891002 /nfs/dbraw/zinc/89/10/02/771891002.db2.gz NFNNYEAUJHLVKZ-INIZCTEOSA-N 2 3 322.497 0.990 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291317 771891008 /nfs/dbraw/zinc/89/10/08/771891008.db2.gz NFNNYEAUJHLVKZ-INIZCTEOSA-N 2 3 322.497 0.990 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CCOC)C1CCN(C)CC1 ZINC001160439861 772039485 /nfs/dbraw/zinc/03/94/85/772039485.db2.gz OSKUZZZKRRETGE-HNNXBMFYSA-N 2 3 314.474 0.273 20 0 DCADHP COc1ccnc(N(C(=O)[C@@H](N)CCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001161388688 772215903 /nfs/dbraw/zinc/21/59/03/772215903.db2.gz KCQHVMLUXANHIQ-AWEZNQCLSA-N 2 3 321.425 0.241 20 0 DCADHP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1C[NH2+]CC12CNC2 ZINC001218937105 774331753 /nfs/dbraw/zinc/33/17/53/774331753.db2.gz KJLWXZVBKKNESL-OAHLLOKOSA-N 2 3 300.406 0.122 20 0 DCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219943521 774652937 /nfs/dbraw/zinc/65/29/37/774652937.db2.gz LYJYYPCDWCBMKX-HNNXBMFYSA-N 2 3 302.422 0.173 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789726 774916317 /nfs/dbraw/zinc/91/63/17/774916317.db2.gz MSKQQHZPBYBWQY-QLFBSQMISA-N 2 3 305.426 0.305 20 0 DCADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220857579 774936680 /nfs/dbraw/zinc/93/66/80/774936680.db2.gz JBKCXMABAKDPNR-ZFWWWQNUSA-N 2 3 310.486 0.940 20 0 DCADHP CN(C)CCN1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029732 945208659 /nfs/dbraw/zinc/20/86/59/945208659.db2.gz FGDYSWKOOYLKTE-UHFFFAOYSA-N 2 3 322.497 0.862 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245994503 945308752 /nfs/dbraw/zinc/30/87/52/945308752.db2.gz NSMVWJCGAGPXBN-WNRNVDISSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245994503 945308762 /nfs/dbraw/zinc/30/87/62/945308762.db2.gz NSMVWJCGAGPXBN-WNRNVDISSA-N 2 3 319.449 0.418 20 0 DCADHP c1ccc(C[C@H]2C[C@@H]([NH2+]CCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246120546 945339438 /nfs/dbraw/zinc/33/94/38/945339438.db2.gz MAQJETCGOCKQLG-ROUUACIJSA-N 2 3 302.466 0.845 20 0 DCADHP CCOC(=O)[C@@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010012 945543052 /nfs/dbraw/zinc/54/30/52/945543052.db2.gz UPSBAHWFPOZOGP-NFAWXSAZSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@@H+](C2C[C@@H](C)N[C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010012 945543056 /nfs/dbraw/zinc/54/30/56/945543056.db2.gz UPSBAHWFPOZOGP-NFAWXSAZSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@H+](C2C[C@@H](C)N[C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010012 945543061 /nfs/dbraw/zinc/54/30/61/945543061.db2.gz UPSBAHWFPOZOGP-NFAWXSAZSA-N 2 3 309.454 0.990 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418390748 287246849 /nfs/dbraw/zinc/24/68/49/287246849.db2.gz UZZQXVNOFNKPBH-LSDHHAIUSA-N 2 3 311.474 0.406 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418390748 287246850 /nfs/dbraw/zinc/24/68/50/287246850.db2.gz UZZQXVNOFNKPBH-LSDHHAIUSA-N 2 3 311.474 0.406 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307772 287288763 /nfs/dbraw/zinc/28/87/63/287288763.db2.gz MMVRFMPXWCOTDD-PNKHAZJDSA-N 2 3 303.450 0.977 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307772 287288764 /nfs/dbraw/zinc/28/87/64/287288764.db2.gz MMVRFMPXWCOTDD-PNKHAZJDSA-N 2 3 303.450 0.977 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286912 418397507 /nfs/dbraw/zinc/39/75/07/418397507.db2.gz TXFZNCYTBUPVBL-WCVJEAGWSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)C1 ZINC000662286912 418397509 /nfs/dbraw/zinc/39/75/09/418397509.db2.gz TXFZNCYTBUPVBL-WCVJEAGWSA-N 2 3 309.454 0.726 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC[NH3+] ZINC000418527115 262281849 /nfs/dbraw/zinc/28/18/49/262281849.db2.gz NPQFFLOJOYWGHH-HNNXBMFYSA-N 2 3 313.490 0.783 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC[NH3+] ZINC000418527115 262281850 /nfs/dbraw/zinc/28/18/50/262281850.db2.gz NPQFFLOJOYWGHH-HNNXBMFYSA-N 2 3 313.490 0.783 20 0 DCADHP CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000418712871 271250478 /nfs/dbraw/zinc/25/04/78/271250478.db2.gz OJYMSYQEZPFYAQ-HUUCEWRRSA-N 2 3 313.490 0.781 20 0 DCADHP CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000418712871 271250482 /nfs/dbraw/zinc/25/04/82/271250482.db2.gz OJYMSYQEZPFYAQ-HUUCEWRRSA-N 2 3 313.490 0.781 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000903445276 663455229 /nfs/dbraw/zinc/45/52/29/663455229.db2.gz HURDALJXGGSGDS-UGUYLWEFSA-N 2 3 308.470 0.422 20 0 DCADHP CC(C)(C)CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC[NH2+]CC1 ZINC001161259205 772192812 /nfs/dbraw/zinc/19/28/12/772192812.db2.gz ZSXMNZDZECHJLX-AWEZNQCLSA-N 2 3 308.470 0.422 20 0 DCADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCc2ccc(CN)nc21 ZINC001220377210 774787253 /nfs/dbraw/zinc/78/72/53/774787253.db2.gz OCAIHKVSFIFDDM-HNNXBMFYSA-N 2 3 319.453 0.879 20 0 DCADHP O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220917316 774952266 /nfs/dbraw/zinc/95/22/66/774952266.db2.gz VQWRZTIKTFHSMS-JKSUJKDBSA-N 2 3 320.481 0.566 20 0 DCADHP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220917316 774952274 /nfs/dbraw/zinc/95/22/74/774952274.db2.gz VQWRZTIKTFHSMS-JKSUJKDBSA-N 2 3 320.481 0.566 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245994507 945308988 /nfs/dbraw/zinc/30/89/88/945308988.db2.gz NSMVWJCGAGPXBN-XMTFNYHQSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245994507 945308995 /nfs/dbraw/zinc/30/89/95/945308995.db2.gz NSMVWJCGAGPXBN-XMTFNYHQSA-N 2 3 319.449 0.418 20 0 DCADHP COc1ccccc1C1(CNC[C@]2(O)CC[NH2+]C2)CC[NH2+]CC1 ZINC001246004763 945312641 /nfs/dbraw/zinc/31/26/41/945312641.db2.gz HIDSEUBBPVKKQT-SFHVURJKSA-N 2 3 319.449 0.630 20 0 DCADHP C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246135778 945341654 /nfs/dbraw/zinc/34/16/54/945341654.db2.gz VITJVRWFIJEXGJ-BBRMVZONSA-N 2 3 304.442 0.783 20 0 DCADHP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246234388 945368070 /nfs/dbraw/zinc/36/80/70/945368070.db2.gz CYCIOTQMZDCZIS-WNRNVDISSA-N 2 3 303.450 0.910 20 0 DCADHP c1ccc(CC2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368341 945397118 /nfs/dbraw/zinc/39/71/18/945397118.db2.gz FGANVWFGXXOCKZ-INIZCTEOSA-N 2 3 316.449 0.857 20 0 DCADHP O=C1CN(C2CCC3(CCC[NH2+]C3)CC2)CC2(CC[NH2+]CC2)N1 ZINC001246624837 945444429 /nfs/dbraw/zinc/44/44/29/945444429.db2.gz FYNSHKZSNCQKKW-UHFFFAOYSA-N 2 3 320.481 0.853 20 0 DCADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246657576 945454618 /nfs/dbraw/zinc/45/46/18/945454618.db2.gz RNMUNYCDQAJKAQ-UMNHJUIQSA-N 2 3 307.385 0.918 20 0 DCADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246657576 945454624 /nfs/dbraw/zinc/45/46/24/945454624.db2.gz RNMUNYCDQAJKAQ-UMNHJUIQSA-N 2 3 307.385 0.918 20 0 DCADHP CC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672797 945458894 /nfs/dbraw/zinc/45/88/94/945458894.db2.gz MFWJYECJMXURPV-XBEOPHEFSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246672797 945458899 /nfs/dbraw/zinc/45/88/99/945458899.db2.gz MFWJYECJMXURPV-XBEOPHEFSA-N 2 3 321.465 0.848 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010015 945542266 /nfs/dbraw/zinc/54/22/66/945542266.db2.gz UPSBAHWFPOZOGP-XGUBFFRZSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010015 945542273 /nfs/dbraw/zinc/54/22/73/945542273.db2.gz UPSBAHWFPOZOGP-XGUBFFRZSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)N[C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010015 945542280 /nfs/dbraw/zinc/54/22/80/945542280.db2.gz UPSBAHWFPOZOGP-XGUBFFRZSA-N 2 3 309.454 0.990 20 0 DCADHP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366712 296294644 /nfs/dbraw/zinc/29/46/44/296294644.db2.gz DVOICFACCJIXCL-CABCVRRESA-N 2 3 308.470 0.648 20 0 DCADHP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366712 296294645 /nfs/dbraw/zinc/29/46/45/296294645.db2.gz DVOICFACCJIXCL-CABCVRRESA-N 2 3 308.470 0.648 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC[NH2+]C ZINC000418310348 285244214 /nfs/dbraw/zinc/24/42/14/285244214.db2.gz PJJAZFGMMXHMFX-OAHLLOKOSA-N 2 3 313.490 0.653 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC[NH2+]C ZINC000418310348 285244215 /nfs/dbraw/zinc/24/42/15/285244215.db2.gz PJJAZFGMMXHMFX-OAHLLOKOSA-N 2 3 313.490 0.653 20 0 DCADHP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000629591637 396802588 /nfs/dbraw/zinc/80/25/88/396802588.db2.gz LKCBLYIYYGFEKB-CVEARBPZSA-N 2 3 309.454 0.598 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647544522 418021925 /nfs/dbraw/zinc/02/19/25/418021925.db2.gz IKERMORKSHHDSL-IKGGRYGDSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647544522 418021928 /nfs/dbraw/zinc/02/19/28/418021928.db2.gz IKERMORKSHHDSL-IKGGRYGDSA-N 2 3 322.497 0.895 20 0 DCADHP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)C1 ZINC000662280522 546375135 /nfs/dbraw/zinc/37/51/35/546375135.db2.gz DNZIPXGQOMRYDB-OAGGEKHMSA-N 2 3 309.454 0.726 20 0 DCADHP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000747532145 667906339 /nfs/dbraw/zinc/90/63/39/667906339.db2.gz SPORTZFWDYIWCC-SJORKVTESA-N 2 3 313.486 0.876 20 0 DCADHP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000747532145 667906340 /nfs/dbraw/zinc/90/63/40/667906340.db2.gz SPORTZFWDYIWCC-SJORKVTESA-N 2 3 313.486 0.876 20 0 DCADHP CC(C)[C@@H](C[NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000873212394 668066236 /nfs/dbraw/zinc/06/62/36/668066236.db2.gz LFLBLIDVOMCPCT-CFVMTHIKSA-N 2 3 310.442 0.474 20 0 DCADHP C(CN1CCOCC1)N(C[C@@H]1CC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001236397709 770009636 /nfs/dbraw/zinc/00/96/36/770009636.db2.gz AIBHRNODBVRAAP-QGZVFWFLSA-N 2 3 310.486 0.230 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]2CF)CC1 ZINC001158568425 771790871 /nfs/dbraw/zinc/79/08/71/771790871.db2.gz PHDKMDLQJJMREO-MJBXVCDLSA-N 2 3 324.444 0.396 20 0 DCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]2CF)CC1 ZINC001158568425 771790874 /nfs/dbraw/zinc/79/08/74/771790874.db2.gz PHDKMDLQJJMREO-MJBXVCDLSA-N 2 3 324.444 0.396 20 0 DCADHP C[C@@H](Nc1cccc(N2CCC([NH3+])CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159498950 771919131 /nfs/dbraw/zinc/91/91/31/771919131.db2.gz NHSNALOXEMXWKU-TZMCWYRMSA-N 2 3 305.426 0.798 20 0 DCADHP CN(C)CCN(C(=O)C1CCC(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161444887 772224811 /nfs/dbraw/zinc/22/48/11/772224811.db2.gz LRPNBSBJUFAPMF-GPANFISMSA-N 2 3 310.486 0.894 20 0 DCADHP CN(C)CCN(C(=O)CC1([NH3+])CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC001161450007 772225330 /nfs/dbraw/zinc/22/53/30/772225330.db2.gz XRHZYWHSJKAXNM-CQSZACIVSA-N 2 3 312.458 0.027 20 0 DCADHP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218997409 774344809 /nfs/dbraw/zinc/34/48/09/774344809.db2.gz TXEPHZCCMHJRIQ-IIDMSEBBSA-N 2 3 314.433 0.901 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301503 774441038 /nfs/dbraw/zinc/44/10/38/774441038.db2.gz YAXXGOYQAPDMGB-CYBMUJFWSA-N 2 3 324.400 0.961 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610769 774556045 /nfs/dbraw/zinc/55/60/45/774556045.db2.gz RMMYYWHSSUUPPI-JQWIXIFHSA-N 2 3 310.364 0.456 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)C[NH2+]1 ZINC001219684201 774579008 /nfs/dbraw/zinc/57/90/08/774579008.db2.gz KWSHRJRJEDJXAL-RBSFLKMASA-N 2 3 308.470 0.565 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)C[NH2+]1 ZINC001219684201 774579012 /nfs/dbraw/zinc/57/90/12/774579012.db2.gz KWSHRJRJEDJXAL-RBSFLKMASA-N 2 3 308.470 0.565 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001219684201 774579014 /nfs/dbraw/zinc/57/90/14/774579014.db2.gz KWSHRJRJEDJXAL-RBSFLKMASA-N 2 3 308.470 0.565 20 0 DCADHP O[C@H](C[NH2+]C1(CC2CC2)CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001245996172 945308914 /nfs/dbraw/zinc/30/89/14/945308914.db2.gz KLIYKWMTRXFCPH-HNNXBMFYSA-N 2 3 311.470 0.364 20 0 DCADHP O[C@H](CNC1(CC2CC2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996172 945308923 /nfs/dbraw/zinc/30/89/23/945308923.db2.gz KLIYKWMTRXFCPH-HNNXBMFYSA-N 2 3 311.470 0.364 20 0 DCADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246140625 945344862 /nfs/dbraw/zinc/34/48/62/945344862.db2.gz BBBCIPLYZVHURQ-KSWRQPAISA-N 2 3 309.454 0.644 20 0 DCADHP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CCN2 ZINC001246411277 945407658 /nfs/dbraw/zinc/40/76/58/945407658.db2.gz UFJIPIGZFFHNAY-JYJNAYRXSA-N 2 3 308.470 0.313 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCCCNC3)C[C@@H]1CC[NH2+]CC2 ZINC001246682923 945459859 /nfs/dbraw/zinc/45/98/59/945459859.db2.gz OQCLUSLEVWPVBV-ZOBUZTSGSA-N 2 3 309.454 0.993 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCCCNC3)C[C@@H]1CC[NH2+]CC2 ZINC001246682923 945459866 /nfs/dbraw/zinc/45/98/66/945459866.db2.gz OQCLUSLEVWPVBV-ZOBUZTSGSA-N 2 3 309.454 0.993 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]1C2 ZINC001246856352 945504933 /nfs/dbraw/zinc/50/49/33/945504933.db2.gz DQDVNMCNKUSIDS-YXJUNQHRSA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]1C2 ZINC001246856352 945504940 /nfs/dbraw/zinc/50/49/40/945504940.db2.gz DQDVNMCNKUSIDS-YXJUNQHRSA-N 2 3 307.438 0.457 20 0 DCADHP C[C@@H]1C[C@@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935250 945521788 /nfs/dbraw/zinc/52/17/88/945521788.db2.gz KYOKLZVYAJJMGR-AEFFLSMTSA-N 2 3 324.513 0.761 20 0 DCADHP C[C@@H]1C[C@@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935250 945521796 /nfs/dbraw/zinc/52/17/96/945521796.db2.gz KYOKLZVYAJJMGR-AEFFLSMTSA-N 2 3 324.513 0.761 20 0 DCADHP CC1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870020861 667698990 /nfs/dbraw/zinc/69/89/90/667698990.db2.gz VIBOBTBUGOPPGI-IAGOWNOFSA-N 2 3 324.513 0.916 20 0 DCADHP N[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001160461648 766740865 /nfs/dbraw/zinc/74/08/65/766740865.db2.gz VBQDWIOUBDYBRN-JKSUJKDBSA-N 2 3 308.470 0.790 20 0 DCADHP O=C(N1CCC(C2CC[NH2+]CC2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161206087 768510908 /nfs/dbraw/zinc/51/09/08/768510908.db2.gz VCWHHVWGJGLEKP-SJLPKXTDSA-N 2 3 320.481 0.424 20 0 DCADHP C[NH2+]CC1CCN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC1 ZINC001235677944 769929337 /nfs/dbraw/zinc/92/93/37/769929337.db2.gz BJAOATFCIQEDNL-UHFFFAOYSA-N 2 3 303.454 0.923 20 0 DCADHP O=C(N1CCCC[C@H]1C[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160460718 772043426 /nfs/dbraw/zinc/04/34/26/772043426.db2.gz DRISKMBFYIGSMD-SOLBZPMBSA-N 2 3 320.481 0.662 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160539470 772060729 /nfs/dbraw/zinc/06/07/29/772060729.db2.gz UQNAPYYXVVWWIB-STQMWFEESA-N 2 3 320.441 0.486 20 0 DCADHP C[NH+]1CCC2(CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)CC1 ZINC001160993600 772147076 /nfs/dbraw/zinc/14/70/76/772147076.db2.gz YNCRAJPHTZOMGW-CRAIPNDOSA-N 2 3 320.481 0.520 20 0 DCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220220700 774738424 /nfs/dbraw/zinc/73/84/24/774738424.db2.gz BGJQQAKYYHSEDH-KKUMJFAQSA-N 2 3 308.470 0.850 20 0 DCADHP C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220766539 774911670 /nfs/dbraw/zinc/91/16/70/774911670.db2.gz UOPTUIDZOUDDTJ-NEPJUHHUSA-N 2 3 304.504 0.523 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246495261 945419794 /nfs/dbraw/zinc/41/97/94/945419794.db2.gz NPPLDQWGABTJED-OAHLLOKOSA-N 2 3 303.454 0.122 20 0 DCADHP CC[NH+](CC)CCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246833616 945502246 /nfs/dbraw/zinc/50/22/46/945502246.db2.gz IAWMPMRYSFRJSF-QGZVFWFLSA-N 2 3 323.529 0.430 20 0 DCADHP [NH3+]C1CCN(C2CC[NH+]([C@@H]3CCOC4(CNC4)C3)CC2)CC1 ZINC001246968803 945529904 /nfs/dbraw/zinc/52/99/04/945529904.db2.gz OGRBBKFOEYVODI-MRXNPFEDSA-N 2 3 308.470 0.395 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000612874556 397154086 /nfs/dbraw/zinc/15/40/86/397154086.db2.gz FHLFUSQRXBIEOM-KRWDZBQOSA-N 2 3 323.485 0.596 20 0 DCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991512 417552409 /nfs/dbraw/zinc/55/24/09/417552409.db2.gz HLMKCLNHQFWQSK-OAGGEKHMSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991512 417552417 /nfs/dbraw/zinc/55/24/17/417552417.db2.gz HLMKCLNHQFWQSK-OAGGEKHMSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634991512 417552424 /nfs/dbraw/zinc/55/24/24/417552424.db2.gz HLMKCLNHQFWQSK-OAGGEKHMSA-N 2 3 310.486 0.798 20 0 DCADHP C[C@@H](C[C@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009909 417556897 /nfs/dbraw/zinc/55/68/97/417556897.db2.gz IGCGEJGRZUJCAX-KBPBESRZSA-N 2 3 305.426 0.670 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647544524 418020692 /nfs/dbraw/zinc/02/06/92/418020692.db2.gz IKERMORKSHHDSL-ZACQAIPSSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647544524 418020696 /nfs/dbraw/zinc/02/06/96/418020696.db2.gz IKERMORKSHHDSL-ZACQAIPSSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000656786490 418375758 /nfs/dbraw/zinc/37/57/58/418375758.db2.gz MXCLQQAPLLMHSH-NVXWUHKLSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782315 418376053 /nfs/dbraw/zinc/37/60/53/418376053.db2.gz FARDBIHMTDIVFS-NVXWUHKLSA-N 2 3 322.497 0.895 20 0 DCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000656782315 418376056 /nfs/dbraw/zinc/37/60/56/418376056.db2.gz FARDBIHMTDIVFS-NVXWUHKLSA-N 2 3 322.497 0.895 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364041555 279306038 /nfs/dbraw/zinc/30/60/38/279306038.db2.gz XSYWJCMBHQXGRZ-ILXRZTDVSA-N 2 3 309.458 0.448 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364041555 279306041 /nfs/dbraw/zinc/30/60/41/279306041.db2.gz XSYWJCMBHQXGRZ-ILXRZTDVSA-N 2 3 309.458 0.448 20 0 DCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848988007 670746127 /nfs/dbraw/zinc/74/61/27/670746127.db2.gz XSOZWQFBWRIHQX-AWEZNQCLSA-N 2 3 311.474 0.431 20 0 DCADHP CC(C)(C)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001161261546 748510680 /nfs/dbraw/zinc/51/06/80/748510680.db2.gz FUPONMDKNOEHOM-OAHLLOKOSA-N 2 3 310.486 0.940 20 0 DCADHP [NH3+]CCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206750 769779230 /nfs/dbraw/zinc/77/92/30/769779230.db2.gz VPVVZDSJPXRSSQ-UHFFFAOYSA-N 2 3 309.458 0.589 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210076 772184767 /nfs/dbraw/zinc/18/47/67/772184767.db2.gz KYSRCWVCNDHMRI-AWEZNQCLSA-N 2 3 314.499 0.244 20 0 DCADHP N[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)C1CC[NH2+]CC1 ZINC001219537853 774528556 /nfs/dbraw/zinc/52/85/56/774528556.db2.gz QSCCYYCJANPRFL-XFJVYGCCSA-N 2 3 316.405 0.400 20 0 DCADHP N[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C1CC[NH2+]CC1 ZINC001219537850 774528683 /nfs/dbraw/zinc/52/86/83/774528683.db2.gz QSCCYYCJANPRFL-PEYYIBSZSA-N 2 3 316.405 0.400 20 0 DCADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)(C1)CCC2 ZINC001220777257 774912034 /nfs/dbraw/zinc/91/20/34/774912034.db2.gz KKXMETOMIHXHEG-UKPHBRMFSA-N 2 3 306.454 0.781 20 0 DCADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)(C1)CCC2 ZINC001220777257 774912040 /nfs/dbraw/zinc/91/20/40/774912040.db2.gz KKXMETOMIHXHEG-UKPHBRMFSA-N 2 3 306.454 0.781 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789727 774916649 /nfs/dbraw/zinc/91/66/49/774916649.db2.gz MSKQQHZPBYBWQY-SOUVJXGZSA-N 2 3 305.426 0.305 20 0 DCADHP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220855023 774936876 /nfs/dbraw/zinc/93/68/76/774936876.db2.gz JEEHDRYDWHLNDQ-HNNXBMFYSA-N 2 3 302.422 0.636 20 0 DCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001220903542 774949224 /nfs/dbraw/zinc/94/92/24/774949224.db2.gz VCENZBKZVIYWNR-INIZCTEOSA-N 2 3 306.454 0.993 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972743 774965198 /nfs/dbraw/zinc/96/51/98/774965198.db2.gz KVNMVAJOXNCVPT-ZDUSSCGKSA-N 2 3 314.499 0.516 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390988 775083796 /nfs/dbraw/zinc/08/37/96/775083796.db2.gz JQVLTRPIJCVRGE-INIZCTEOSA-N 2 3 321.469 0.272 20 0 DCADHP [NH3+][C@@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC[NH2+]CC1 ZINC001221399141 775087302 /nfs/dbraw/zinc/08/73/02/775087302.db2.gz MJIPYNVEOCHUQX-JKSUJKDBSA-N 2 3 302.422 0.144 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976606 945302082 /nfs/dbraw/zinc/30/20/82/945302082.db2.gz DXIHLFZSSHHJNW-YYIAUSFCSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976606 945302090 /nfs/dbraw/zinc/30/20/90/945302090.db2.gz DXIHLFZSSHHJNW-YYIAUSFCSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245982154 945304979 /nfs/dbraw/zinc/30/49/79/945304979.db2.gz ITADDIQFAZOAQX-TXTZMMAHSA-N 2 3 319.449 0.131 20 0 DCADHP O[C@]1(CNCC2(c3ccccn3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246007088 945311105 /nfs/dbraw/zinc/31/11/05/945311105.db2.gz MYPVSLKFGZJKCD-QGZVFWFLSA-N 2 3 304.438 0.407 20 0 DCADHP O[C@]1(C[NH2+]CC2(c3ccccn3)CC[NH2+]CC2)CCCNC1 ZINC001246007088 945311108 /nfs/dbraw/zinc/31/11/08/945311108.db2.gz MYPVSLKFGZJKCD-QGZVFWFLSA-N 2 3 304.438 0.407 20 0 DCADHP C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001273145051 945325685 /nfs/dbraw/zinc/32/56/85/945325685.db2.gz UMXLKPXAHONKFO-WMZOPIPTSA-N 2 3 322.497 0.957 20 0 DCADHP C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001273145051 945325693 /nfs/dbraw/zinc/32/56/93/945325693.db2.gz UMXLKPXAHONKFO-WMZOPIPTSA-N 2 3 322.497 0.957 20 0 DCADHP [NH3+]CCOCCOCCN[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246283256 945377571 /nfs/dbraw/zinc/37/75/71/945377571.db2.gz GRHYQQIVQSLNEL-MSOLQXFVSA-N 2 3 321.465 0.931 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675983 945457637 /nfs/dbraw/zinc/45/76/37/945457637.db2.gz BRQZFVSXWYHGQB-DLTWYDFYSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675983 945457643 /nfs/dbraw/zinc/45/76/43/945457643.db2.gz BRQZFVSXWYHGQB-DLTWYDFYSA-N 2 3 309.454 0.992 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246673586 945458320 /nfs/dbraw/zinc/45/83/20/945458320.db2.gz OYCUXBVQEKASQL-QKEJGYSESA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCN[C@H](C)C1)C2 ZINC001246673586 945458323 /nfs/dbraw/zinc/45/83/23/945458323.db2.gz OYCUXBVQEKASQL-QKEJGYSESA-N 2 3 307.438 0.457 20 0 DCADHP C[C@H]1C[C@@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935256 945520328 /nfs/dbraw/zinc/52/03/28/945520328.db2.gz KYOKLZVYAJJMGR-WMZOPIPTSA-N 2 3 324.513 0.761 20 0 DCADHP C[C@H]1C[C@@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935256 945520330 /nfs/dbraw/zinc/52/03/30/945520330.db2.gz KYOKLZVYAJJMGR-WMZOPIPTSA-N 2 3 324.513 0.761 20 0 DCADHP C[C@@H]1C[C@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935254 945520759 /nfs/dbraw/zinc/52/07/59/945520759.db2.gz KYOKLZVYAJJMGR-SJLPKXTDSA-N 2 3 324.513 0.761 20 0 DCADHP C[C@@H]1C[C@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935254 945520762 /nfs/dbraw/zinc/52/07/62/945520762.db2.gz KYOKLZVYAJJMGR-SJLPKXTDSA-N 2 3 324.513 0.761 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@H]2C1 ZINC001551403103 1015037429 /nfs/dbraw/zinc/03/74/29/1015037429.db2.gz QBRGBZNLNGWNHC-YLFCFFPRSA-N 2 3 322.497 0.846 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@H]2C1 ZINC001551403103 1015037441 /nfs/dbraw/zinc/03/74/41/1015037441.db2.gz QBRGBZNLNGWNHC-YLFCFFPRSA-N 2 3 322.497 0.846 20 0 DCADHP CC[NH+]1CCC(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431035567 417100154 /nfs/dbraw/zinc/10/01/54/417100154.db2.gz DUMPAJZYEFYGAU-UHFFFAOYSA-N 2 3 308.470 0.662 20 0 DCADHP C[C@H](C[C@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635009910 417554645 /nfs/dbraw/zinc/55/46/45/417554645.db2.gz IGCGEJGRZUJCAX-KGLIPLIRSA-N 2 3 305.426 0.670 20 0 DCADHP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662262185 418393960 /nfs/dbraw/zinc/39/39/60/418393960.db2.gz SGFDEYZTBAWJHF-ZBFHGGJFSA-N 2 3 311.470 0.532 20 0 DCADHP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662262185 418393962 /nfs/dbraw/zinc/39/39/62/418393962.db2.gz SGFDEYZTBAWJHF-ZBFHGGJFSA-N 2 3 311.470 0.532 20 0 DCADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCCC[NH3+])c2)C1 ZINC000415090512 546235869 /nfs/dbraw/zinc/23/58/69/546235869.db2.gz PCDGRIIJUOPUHQ-MRXNPFEDSA-N 2 3 304.438 0.822 20 0 DCADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCCC[NH3+])c2)C1 ZINC000415090512 546235872 /nfs/dbraw/zinc/23/58/72/546235872.db2.gz PCDGRIIJUOPUHQ-MRXNPFEDSA-N 2 3 304.438 0.822 20 0 DCADHP CCN1CCC([N@@H+]2CCCN(C[C@@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768080 1164785805 /nfs/dbraw/zinc/78/58/05/1164785805.db2.gz VAYINOYUZKUTFM-KRWDZBQOSA-N 2 3 312.502 0.449 20 0 DCADHP CCN1CCC([N@H+]2CCCN(C[C@@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768080 1164785813 /nfs/dbraw/zinc/78/58/13/1164785813.db2.gz VAYINOYUZKUTFM-KRWDZBQOSA-N 2 3 312.502 0.449 20 0 DCADHP CC[NH+]1CCC(N2CCCN(C[C@@](C)(O)C[NH2+]C)CC2)CC1 ZINC001577768080 1164785821 /nfs/dbraw/zinc/78/58/21/1164785821.db2.gz VAYINOYUZKUTFM-KRWDZBQOSA-N 2 3 312.502 0.449 20 0 DCADHP C[NH+](C)CCNC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC001578418703 1165009437 /nfs/dbraw/zinc/00/94/37/1165009437.db2.gz OZXYTTSNZSOVMN-HNNXBMFYSA-N 2 3 310.486 0.766 20 0 DCADHP C[NH+](C)CCN(C(=O)[C@@H]1CNC[C@@H](F)C1)[C@H]1CCC[NH2+]C1 ZINC001161446342 747884086 /nfs/dbraw/zinc/88/40/86/747884086.db2.gz SKUNEXWXRWWFDL-IHRRRGAJSA-N 2 3 300.422 0.076 20 0 DCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028674 771715325 /nfs/dbraw/zinc/71/53/25/771715325.db2.gz UDAHAMNSKPBIKK-RDJZCZTQSA-N 2 3 320.481 0.568 20 0 DCADHP N[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)C1CC[NH2+]CC1 ZINC001159290936 771891333 /nfs/dbraw/zinc/89/13/33/771891333.db2.gz JIWMNFXMSFUFNY-HNNXBMFYSA-N 2 3 306.454 0.258 20 0 DCADHP N[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)C1CC[NH2+]CC1 ZINC001159290936 771891336 /nfs/dbraw/zinc/89/13/36/771891336.db2.gz JIWMNFXMSFUFNY-HNNXBMFYSA-N 2 3 306.454 0.258 20 0 DCADHP C[NH2+]C1CCC(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001161446323 772224764 /nfs/dbraw/zinc/22/47/64/772224764.db2.gz SAVOIXBILCIDKT-UYSNPLJNSA-N 2 3 310.486 0.907 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316849 774768742 /nfs/dbraw/zinc/76/87/42/774768742.db2.gz UBCRLNUDIHLONV-YCPHGPKFSA-N 2 3 312.458 0.073 20 0 DCADHP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220919139 774951556 /nfs/dbraw/zinc/95/15/56/774951556.db2.gz VLPZSRAFJSJLAA-HIFRSBDPSA-N 2 3 306.454 0.319 20 0 DCADHP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220919139 774951561 /nfs/dbraw/zinc/95/15/61/774951561.db2.gz VLPZSRAFJSJLAA-HIFRSBDPSA-N 2 3 306.454 0.319 20 0 DCADHP [NH3+]CCCC[NH2+]CCCNC[C@H](O)COCc1ccccc1 ZINC001246008771 945313690 /nfs/dbraw/zinc/31/36/90/945313690.db2.gz HFQIUJWOOVAQFV-KRWDZBQOSA-N 2 3 309.454 0.872 20 0 DCADHP c1ccc(C[C@H]2C[C@H]([NH2+]CCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246120543 945339489 /nfs/dbraw/zinc/33/94/89/945339489.db2.gz MAQJETCGOCKQLG-MSOLQXFVSA-N 2 3 302.466 0.845 20 0 DCADHP C(N[C@@H]1CCC2(C1)CC[NH2+]CC2)c1nnn2c1C[NH2+]CCC2 ZINC001246129075 945340403 /nfs/dbraw/zinc/34/04/03/945340403.db2.gz GCVDLXGRCUAYJR-CYBMUJFWSA-N 2 3 304.442 0.783 20 0 DCADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C[C@H](C1)N2 ZINC001246628736 945447239 /nfs/dbraw/zinc/44/72/39/945447239.db2.gz DBLFMZOSOYSGAE-UDAKYZJQSA-N 2 3 307.438 0.744 20 0 DCADHP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C[C@H](C1)N2 ZINC001246628736 945447243 /nfs/dbraw/zinc/44/72/43/945447243.db2.gz DBLFMZOSOYSGAE-UDAKYZJQSA-N 2 3 307.438 0.744 20 0 DCADHP O=C1NCC[C@@]12C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CC21CNC1 ZINC001246628840 945447304 /nfs/dbraw/zinc/44/73/04/945447304.db2.gz PBJVLQCOKNJTJI-JFUPDXTOSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@@]12C[N@H+](C1CCC3(CC[NH2+]C3)CC1)CC21CNC1 ZINC001246628840 945447307 /nfs/dbraw/zinc/44/73/07/945447307.db2.gz PBJVLQCOKNJTJI-JFUPDXTOSA-N 2 3 318.465 0.320 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCCCNC1)C2 ZINC001246674378 945459106 /nfs/dbraw/zinc/45/91/06/945459106.db2.gz RZKMRRJSNUZRNL-HNLJFRNMSA-N 2 3 307.438 0.459 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCCCNC1)C2 ZINC001246674378 945459110 /nfs/dbraw/zinc/45/91/10/945459110.db2.gz RZKMRRJSNUZRNL-HNLJFRNMSA-N 2 3 307.438 0.459 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000574385299 397261316 /nfs/dbraw/zinc/26/13/16/397261316.db2.gz WJMKQEZMMOISQM-LSDHHAIUSA-N 2 3 313.490 0.639 20 0 DCADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423199541 416476318 /nfs/dbraw/zinc/47/63/18/416476318.db2.gz BWBYDKCGURMTMX-FUHWJXTLSA-N 2 3 316.449 0.737 20 0 DCADHP CC(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000662517432 417792097 /nfs/dbraw/zinc/79/20/97/417792097.db2.gz DTOSVQZLXGSFDL-XSLAGTTESA-N 3 3 306.498 0.705 20 0 DCADHP COCC1(C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC[NH2+]CC1 ZINC000903919605 663495646 /nfs/dbraw/zinc/49/56/46/663495646.db2.gz ORRLZPVWZIEKCT-OAHLLOKOSA-N 2 3 323.485 0.452 20 0 DCADHP CC[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925858093 668353671 /nfs/dbraw/zinc/35/36/71/668353671.db2.gz XOOYFICBVNOSKY-KKUMJFAQSA-N 2 3 309.454 0.992 20 0 DCADHP CC[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H](C)C1 ZINC000925858093 668353675 /nfs/dbraw/zinc/35/36/75/668353675.db2.gz XOOYFICBVNOSKY-KKUMJFAQSA-N 2 3 309.454 0.992 20 0 DCADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001575682650 1164101819 /nfs/dbraw/zinc/10/18/19/1164101819.db2.gz SOYRULOMGFOJEY-BBWFWOEESA-N 2 3 313.486 0.906 20 0 DCADHP O[C@@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCNC1 ZINC001580878474 1165751470 /nfs/dbraw/zinc/75/14/70/1165751470.db2.gz PNXXRNDXHOGTEH-KRWDZBQOSA-N 2 3 311.470 0.678 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])[C@H]4C[C@H]43)CC2)CC1 ZINC001650336885 1173575575 /nfs/dbraw/zinc/57/55/75/1173575575.db2.gz SFVWLRCSXJRTFO-TWMKSMIVSA-N 2 3 320.481 0.645 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158569381 764360040 /nfs/dbraw/zinc/36/00/40/764360040.db2.gz ZACJUBCCCHRNIK-MJBXVCDLSA-N 2 3 314.449 0.581 20 0 DCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175275 772181004 /nfs/dbraw/zinc/18/10/04/772181004.db2.gz KDZPRBUGEZJFTL-BZUAXINKSA-N 2 3 320.481 0.661 20 0 DCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175275 772181005 /nfs/dbraw/zinc/18/10/05/772181005.db2.gz KDZPRBUGEZJFTL-BZUAXINKSA-N 2 3 320.481 0.661 20 0 DCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980859 774661689 /nfs/dbraw/zinc/66/16/89/774661689.db2.gz PJOPGAFNSRTVIR-HUUCEWRRSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980859 774661691 /nfs/dbraw/zinc/66/16/91/774661691.db2.gz PJOPGAFNSRTVIR-HUUCEWRRSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980859 774661693 /nfs/dbraw/zinc/66/16/93/774661693.db2.gz PJOPGAFNSRTVIR-HUUCEWRRSA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980859 774661695 /nfs/dbraw/zinc/66/16/95/774661695.db2.gz PJOPGAFNSRTVIR-HUUCEWRRSA-N 2 3 308.470 0.709 20 0 DCADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926600 774954342 /nfs/dbraw/zinc/95/43/42/774954342.db2.gz SMMOXAAUSCNCIN-MRXNPFEDSA-N 2 3 319.453 0.476 20 0 DCADHP [NH3+]C1(CC2CCC2)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220972961 774965932 /nfs/dbraw/zinc/96/59/32/774965932.db2.gz PRMLKVGMKGXZNG-CRAIPNDOSA-N 2 3 320.481 0.696 20 0 DCADHP CCOC(=O)[C@H]1CC2(CN1CC13CC([NH3+])(C1)C3)CC[NH2+]CC2 ZINC001222215710 775304197 /nfs/dbraw/zinc/30/41/97/775304197.db2.gz JZKPZWUFAUJGDN-NVPAJSRCSA-N 2 3 307.438 0.875 20 0 DCADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246140630 945345182 /nfs/dbraw/zinc/34/51/82/945345182.db2.gz BBBCIPLYZVHURQ-UUAJXVIYSA-N 2 3 309.454 0.644 20 0 DCADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246143892 945346836 /nfs/dbraw/zinc/34/68/36/945346836.db2.gz JWPULZFZMSGVSD-UXLLHSPISA-N 2 3 309.454 0.646 20 0 DCADHP CN1CCC(C[NH2+]C2CCC(C[NH3+])CC2)(N2CCOCC2)CC1 ZINC000333333632 415613542 /nfs/dbraw/zinc/61/35/42/415613542.db2.gz WRKGVGRRTHGPDE-UHFFFAOYSA-N 2 3 324.513 0.890 20 0 DCADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCN1CC[NH2+]CC1 ZINC000423199540 416474825 /nfs/dbraw/zinc/47/48/25/416474825.db2.gz BWBYDKCGURMTMX-AEFFLSMTSA-N 2 3 316.449 0.737 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313669 417882040 /nfs/dbraw/zinc/88/20/40/417882040.db2.gz FFZULCFZAQNBMZ-UHFFFAOYSA-N 2 3 313.490 0.511 20 0 DCADHP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662262182 418394431 /nfs/dbraw/zinc/39/44/31/418394431.db2.gz SGFDEYZTBAWJHF-GDBMZVCRSA-N 2 3 311.470 0.532 20 0 DCADHP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662262182 418394433 /nfs/dbraw/zinc/39/44/33/418394433.db2.gz SGFDEYZTBAWJHF-GDBMZVCRSA-N 2 3 311.470 0.532 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)C1 ZINC000903763820 663480549 /nfs/dbraw/zinc/48/05/49/663480549.db2.gz NKCUKEPLQXPVBS-YVSFHVDLSA-N 2 3 311.470 0.661 20 0 DCADHP CC(C)CC[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144473 668567006 /nfs/dbraw/zinc/56/70/06/668567006.db2.gz NNJSYMTVNUEMEC-OAGGEKHMSA-N 2 3 312.502 0.948 20 0 DCADHP CN1CCc2nc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c2C1 ZINC001157102103 771535887 /nfs/dbraw/zinc/53/58/87/771535887.db2.gz UFORMBDGHFZMPT-UHFFFAOYSA-N 2 3 311.821 0.793 20 0 DCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157414331 771604182 /nfs/dbraw/zinc/60/41/82/771604182.db2.gz ZVNMLBWWKNVGJJ-MRXNPFEDSA-N 2 3 317.437 0.798 20 0 DCADHP N[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)C1CC[NH2+]CC1 ZINC001159290938 771891443 /nfs/dbraw/zinc/89/14/43/771891443.db2.gz JIWMNFXMSFUFNY-OAHLLOKOSA-N 2 3 306.454 0.258 20 0 DCADHP N[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)C1CC[NH2+]CC1 ZINC001159290938 771891447 /nfs/dbraw/zinc/89/14/47/771891447.db2.gz JIWMNFXMSFUFNY-OAHLLOKOSA-N 2 3 306.454 0.258 20 0 DCADHP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218997611 774345103 /nfs/dbraw/zinc/34/51/03/774345103.db2.gz VDIZYWBAFFSLMC-UKRRQHHQSA-N 2 3 300.406 0.511 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818296 774620104 /nfs/dbraw/zinc/62/01/04/774620104.db2.gz BJSBQTQCLQQJFF-MJBXVCDLSA-N 2 3 308.451 0.225 20 0 DCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980857 774661194 /nfs/dbraw/zinc/66/11/94/774661194.db2.gz PJOPGAFNSRTVIR-CABCVRRESA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219980857 774661198 /nfs/dbraw/zinc/66/11/98/774661198.db2.gz PJOPGAFNSRTVIR-CABCVRRESA-N 2 3 308.470 0.709 20 0 DCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980857 774661201 /nfs/dbraw/zinc/66/12/01/774661201.db2.gz PJOPGAFNSRTVIR-CABCVRRESA-N 2 3 308.470 0.709 20 0 DCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219980857 774661204 /nfs/dbraw/zinc/66/12/04/774661204.db2.gz PJOPGAFNSRTVIR-CABCVRRESA-N 2 3 308.470 0.709 20 0 DCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220062292 774685054 /nfs/dbraw/zinc/68/50/54/774685054.db2.gz UEEULVOVFHNROQ-ZMSDIMECSA-N 2 3 308.470 0.566 20 0 DCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220062292 774685056 /nfs/dbraw/zinc/68/50/56/774685056.db2.gz UEEULVOVFHNROQ-ZMSDIMECSA-N 2 3 308.470 0.566 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316848 774768851 /nfs/dbraw/zinc/76/88/51/774768851.db2.gz UBCRLNUDIHLONV-OFQRWUPVSA-N 2 3 312.458 0.073 20 0 DCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220332599 774774517 /nfs/dbraw/zinc/77/45/17/774774517.db2.gz NMOIKRQLHGVYLE-BFYDXBDKSA-N 2 3 308.470 0.422 20 0 DCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001221394704 775084569 /nfs/dbraw/zinc/08/45/69/775084569.db2.gz FMPDMYHDGXGCRA-ZNMIVQPWSA-N 2 3 308.470 0.565 20 0 DCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001221394702 775084983 /nfs/dbraw/zinc/08/49/83/775084983.db2.gz FMPDMYHDGXGCRA-QLFBSQMISA-N 2 3 308.470 0.565 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001246032866 945324588 /nfs/dbraw/zinc/32/45/88/945324588.db2.gz LVUIEZVVRNZEAE-DLBZAZTESA-N 2 3 303.450 0.993 20 0 DCADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246338874 945389307 /nfs/dbraw/zinc/38/93/07/945389307.db2.gz GZNANDQIZBGFTO-XHSDSOJGSA-N 2 3 301.438 0.416 20 0 DCADHP c1ccc(C2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246431188 945408580 /nfs/dbraw/zinc/40/85/80/945408580.db2.gz SJRLCBPHYREUPH-MRXNPFEDSA-N 2 3 300.450 0.949 20 0 DCADHP CCOC(=O)[C@@]12CN([C@@H]3CCC[NH2+]CC3)C[C@@H]1C[NH2+]CCC2 ZINC001246595425 945439991 /nfs/dbraw/zinc/43/99/91/945439991.db2.gz MYVCBZHVAKOLDC-UXLLHSPISA-N 2 3 309.454 0.993 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612976528 397167962 /nfs/dbraw/zinc/16/79/62/397167962.db2.gz ZGGPWASLZHBEHG-AWEZNQCLSA-N 2 3 311.474 0.263 20 0 DCADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(OCCC[NH3+])CC2)cnn1C ZINC000903874105 663490751 /nfs/dbraw/zinc/49/07/51/663490751.db2.gz SLGHSUMPNXWYQT-HNNXBMFYSA-N 2 3 323.485 0.676 20 0 DCADHP C[NH+](C)C[C@@H]1CN(C(=O)C2(N)CC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000877144890 668567242 /nfs/dbraw/zinc/56/72/42/668567242.db2.gz YPJJMJWNISOASJ-HUUCEWRRSA-N 2 3 322.497 0.846 20 0 DCADHP CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001158857440 771828810 /nfs/dbraw/zinc/82/88/10/771828810.db2.gz UBCFSIGKIDMYPP-ZDUSSCGKSA-N 2 3 322.457 0.201 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001160628221 772080685 /nfs/dbraw/zinc/08/06/85/772080685.db2.gz AGLUENJBGBIYJP-GJZGRUSLSA-N 2 3 316.465 0.809 20 0 DCADHP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C[C@@H]1F ZINC001160650466 772087037 /nfs/dbraw/zinc/08/70/37/772087037.db2.gz WYDMZEWMUANJIG-AEGPPILISA-N 2 3 312.433 0.348 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965597 772143397 /nfs/dbraw/zinc/14/33/97/772143397.db2.gz WEQDFWSCXBLIBT-HLLBOEOZSA-N 2 3 310.486 0.892 20 0 DCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050357 772159563 /nfs/dbraw/zinc/15/95/63/772159563.db2.gz MDSCSGPBKONLIG-GJZGRUSLSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050357 772159564 /nfs/dbraw/zinc/15/95/64/772159564.db2.gz MDSCSGPBKONLIG-GJZGRUSLSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050357 772159566 /nfs/dbraw/zinc/15/95/66/772159566.db2.gz MDSCSGPBKONLIG-GJZGRUSLSA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050357 772159567 /nfs/dbraw/zinc/15/95/67/772159567.db2.gz MDSCSGPBKONLIG-GJZGRUSLSA-N 2 3 308.470 0.802 20 0 DCADHP O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220917315 774952147 /nfs/dbraw/zinc/95/21/47/774952147.db2.gz VQWRZTIKTFHSMS-HOTGVXAUSA-N 2 3 320.481 0.566 20 0 DCADHP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220917315 774952150 /nfs/dbraw/zinc/95/21/50/774952150.db2.gz VQWRZTIKTFHSMS-HOTGVXAUSA-N 2 3 320.481 0.566 20 0 DCADHP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221334027 775072047 /nfs/dbraw/zinc/07/20/47/775072047.db2.gz YHBYAFKQCTWMQA-SOLBZPMBSA-N 2 3 314.433 0.098 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+](C3C[C@@H]4C=C[C@H](C3)N4)C[C@@H]1CC[NH2+]CC2 ZINC001246685024 945461122 /nfs/dbraw/zinc/46/11/22/945461122.db2.gz ZSTHORUQLRCVLQ-ZOWQXGHRSA-N 2 3 319.449 0.910 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+](C3C[C@@H]4C=C[C@H](C3)N4)C[C@@H]1CC[NH2+]CC2 ZINC001246685024 945461127 /nfs/dbraw/zinc/46/11/27/945461127.db2.gz ZSTHORUQLRCVLQ-ZOWQXGHRSA-N 2 3 319.449 0.910 20 0 DCADHP O[C@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903785056 663484819 /nfs/dbraw/zinc/48/48/19/663484819.db2.gz VMVDOFLYVIIOAI-KSZLIROESA-N 2 3 322.497 0.344 20 0 DCADHP Cc1c(C[C@H](C[NH3+])CN2CCC(OCCC[NH3+])CC2)cnn1C ZINC000903874106 663490786 /nfs/dbraw/zinc/49/07/86/663490786.db2.gz SLGHSUMPNXWYQT-OAHLLOKOSA-N 2 3 323.485 0.676 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161315917 747204972 /nfs/dbraw/zinc/20/49/72/747204972.db2.gz FJUKJGCENQDWES-YDHLFZDLSA-N 2 3 312.458 0.330 20 0 DCADHP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)nc2cc[nH]cc1-2 ZINC001235869241 769953630 /nfs/dbraw/zinc/95/36/30/769953630.db2.gz CAERMJZBXVQHJK-UHFFFAOYSA-N 2 3 302.426 0.147 20 0 DCADHP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]c2ccncc12 ZINC001235869241 769953641 /nfs/dbraw/zinc/95/36/41/769953641.db2.gz CAERMJZBXVQHJK-UHFFFAOYSA-N 2 3 302.426 0.147 20 0 DCADHP C[NH+](C)CCN(Cc1ccc2n1CCNC2)C1CC[NH2+]CC1 ZINC001236912893 770021750 /nfs/dbraw/zinc/02/17/50/770021750.db2.gz XRJOEFFBRCXZNK-UHFFFAOYSA-N 2 3 305.470 0.707 20 0 DCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001157414253 771604396 /nfs/dbraw/zinc/60/43/96/771604396.db2.gz WMXLVMIKLYKTNW-HNNXBMFYSA-N 2 3 305.426 0.927 20 0 DCADHP N[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001160461642 772044016 /nfs/dbraw/zinc/04/40/16/772044016.db2.gz VBQDWIOUBDYBRN-CVEARBPZSA-N 2 3 308.470 0.790 20 0 DCADHP CC[NH+](CC)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160483720 772048115 /nfs/dbraw/zinc/04/81/15/772048115.db2.gz VWVSJARBTMKASV-RHSMWYFYSA-N 2 3 308.470 0.518 20 0 DCADHP COc1ccnc(N(C(=O)[C@H](N)CCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001161388689 772215876 /nfs/dbraw/zinc/21/58/76/772215876.db2.gz KCQHVMLUXANHIQ-CQSZACIVSA-N 2 3 321.425 0.241 20 0 DCADHP O[C@]1(CNCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245999091 945310618 /nfs/dbraw/zinc/31/06/18/945310618.db2.gz UHIMCSGIMFCYCW-QGZVFWFLSA-N 2 3 307.413 0.761 20 0 DCADHP C[C@H]1C[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201543 945361649 /nfs/dbraw/zinc/36/16/49/945361649.db2.gz IBICQBOKMOEPGE-HOTGVXAUSA-N 2 3 317.474 0.505 20 0 DCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246418026 945407181 /nfs/dbraw/zinc/40/71/81/945407181.db2.gz QAOOSJLZQMEHPV-IKGGRYGDSA-N 2 3 318.465 0.922 20 0 DCADHP O=C1CCC[C@]2(C[NH2+]CCN([C@H]3CCC4(C3)CC[NH2+]CC4)C2)N1 ZINC001246653059 945454217 /nfs/dbraw/zinc/45/42/17/945454217.db2.gz QKXKRYVANASPPW-MAUKXSAKSA-N 2 3 320.481 0.853 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](CC)C2)CCC12C[NH2+]C2 ZINC001247009556 945543016 /nfs/dbraw/zinc/54/30/16/945543016.db2.gz RSGVPJXBSRAYEX-ZNMIVQPWSA-N 2 3 309.454 0.992 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001356069579 956771909 /nfs/dbraw/zinc/77/19/09/956771909.db2.gz HKKZMTXWHCMDGG-ZWKOTPCHSA-N 2 3 322.497 0.467 20 0 DCADHP CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574024250 291669144 /nfs/dbraw/zinc/66/91/44/291669144.db2.gz LOTBSVAEWUFSHW-UHFFFAOYSA-N 2 3 301.479 0.639 20 0 DCADHP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366713 396922788 /nfs/dbraw/zinc/92/27/88/396922788.db2.gz DVOICFACCJIXCL-GJZGRUSLSA-N 2 3 308.470 0.648 20 0 DCADHP C[C@H]1CC2(C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1)CC[NH2+]CC2 ZINC000333366713 396922791 /nfs/dbraw/zinc/92/27/91/396922791.db2.gz DVOICFACCJIXCL-GJZGRUSLSA-N 2 3 308.470 0.648 20 0 DCADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000578744258 397476931 /nfs/dbraw/zinc/47/69/31/397476931.db2.gz YEBYMPCLBSUNBU-GJZGRUSLSA-N 2 3 313.490 0.509 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CNCCO1 ZINC000336855930 415839551 /nfs/dbraw/zinc/83/95/51/415839551.db2.gz ZXKDLTCZNYZNQB-OAHLLOKOSA-N 2 3 314.474 0.097 20 0 DCADHP c1cc2c(cc1CN1CC[C@@H](N3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000652340948 417888872 /nfs/dbraw/zinc/88/88/72/417888872.db2.gz OVMSCASSZLPQNF-GOSISDBHSA-N 2 3 300.450 0.812 20 0 DCADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662245358 418392757 /nfs/dbraw/zinc/39/27/57/418392757.db2.gz UTYSRFHLQKDEGG-MRXNPFEDSA-N 2 3 316.449 0.619 20 0 DCADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662245358 418392758 /nfs/dbraw/zinc/39/27/58/418392758.db2.gz UTYSRFHLQKDEGG-MRXNPFEDSA-N 2 3 316.449 0.619 20 0 DCADHP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662262183 418394662 /nfs/dbraw/zinc/39/46/62/418394662.db2.gz SGFDEYZTBAWJHF-GOEBONIOSA-N 2 3 311.470 0.532 20 0 DCADHP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662262183 418394665 /nfs/dbraw/zinc/39/46/65/418394665.db2.gz SGFDEYZTBAWJHF-GOEBONIOSA-N 2 3 311.470 0.532 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000903445267 663455296 /nfs/dbraw/zinc/45/52/96/663455296.db2.gz HURDALJXGGSGDS-FXUDXRNXSA-N 2 3 308.470 0.422 20 0 DCADHP [NH3+]Cc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000904384022 663512049 /nfs/dbraw/zinc/51/20/49/663512049.db2.gz GKWWBDPVMIQATO-XHSDSOJGSA-N 2 3 316.405 0.512 20 0 DCADHP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000904444460 663514567 /nfs/dbraw/zinc/51/45/67/663514567.db2.gz NCBUFLTZEJMIPU-CQSZACIVSA-N 2 3 310.486 0.881 20 0 DCADHP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873218234 668066610 /nfs/dbraw/zinc/06/66/10/668066610.db2.gz ZXYMTOSPTGVIQL-INIZCTEOSA-N 2 3 322.497 0.992 20 0 DCADHP COCC[N@H+](C[C@@H](O)CN(C)C(C)C)CC1CC[NH+](C)CC1 ZINC000879127093 668987309 /nfs/dbraw/zinc/98/73/09/668987309.db2.gz QUWZOHYUXJGFCZ-KRWDZBQOSA-N 2 3 315.502 0.978 20 0 DCADHP COCC[N@@H+](C[C@@H](O)CN(C)C(C)C)CC1CC[NH+](C)CC1 ZINC000879127093 668987313 /nfs/dbraw/zinc/98/73/13/668987313.db2.gz QUWZOHYUXJGFCZ-KRWDZBQOSA-N 2 3 315.502 0.978 20 0 DCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461762 772043652 /nfs/dbraw/zinc/04/36/52/772043652.db2.gz XANDREVVDRFMJW-LSDHHAIUSA-N 2 3 306.454 0.272 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160630612 772080783 /nfs/dbraw/zinc/08/07/83/772080783.db2.gz ZQZHHXCOUQGOCM-HNNXBMFYSA-N 3 3 315.506 0.175 20 0 DCADHP CN(C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219838 772185442 /nfs/dbraw/zinc/18/54/42/772185442.db2.gz UISRTSZHUVGRQL-OJLVUWQFSA-N 2 3 306.454 0.127 20 0 DCADHP CN(C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219838 772185444 /nfs/dbraw/zinc/18/54/44/772185444.db2.gz UISRTSZHUVGRQL-OJLVUWQFSA-N 2 3 306.454 0.127 20 0 DCADHP CN(C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219838 772185447 /nfs/dbraw/zinc/18/54/47/772185447.db2.gz UISRTSZHUVGRQL-OJLVUWQFSA-N 2 3 306.454 0.127 20 0 DCADHP C[NH+](C)CCN(C(=O)[C@@H]1CNC[C@H](F)C1)[C@@H]1CCC[NH2+]C1 ZINC001161446340 772224350 /nfs/dbraw/zinc/22/43/50/772224350.db2.gz SKUNEXWXRWWFDL-BFHYXJOUSA-N 2 3 300.422 0.076 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001219641810 774569022 /nfs/dbraw/zinc/56/90/22/774569022.db2.gz LNLMRLJZHGIMJE-ARFHVFGLSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001219641810 774569026 /nfs/dbraw/zinc/56/90/26/774569026.db2.gz LNLMRLJZHGIMJE-ARFHVFGLSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001219641810 774569029 /nfs/dbraw/zinc/56/90/29/774569029.db2.gz LNLMRLJZHGIMJE-ARFHVFGLSA-N 2 3 322.497 0.812 20 0 DCADHP [NH3+]CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219872448 774633031 /nfs/dbraw/zinc/63/30/31/774633031.db2.gz FVOSOADBDGFJGX-SJLPKXTDSA-N 2 3 316.449 0.563 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161293 774714616 /nfs/dbraw/zinc/71/46/16/774714616.db2.gz BHYPJMWZHHQGNX-MBNYWOFBSA-N 2 3 300.472 0.044 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263449 774749639 /nfs/dbraw/zinc/74/96/39/774749639.db2.gz KLKRTZISEUROCF-HNNXBMFYSA-N 2 3 307.442 0.869 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCC1(O)CC[NH2+]CC1 ZINC001245979526 945305825 /nfs/dbraw/zinc/30/58/25/945305825.db2.gz BERJTPDRQWDELW-JKSUJKDBSA-N 2 3 307.438 0.012 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001245985645 945307723 /nfs/dbraw/zinc/30/77/23/945307723.db2.gz RXDJEQXDSSNLEL-YESZJQIVSA-N 2 3 319.449 0.418 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001245985645 945307732 /nfs/dbraw/zinc/30/77/32/945307732.db2.gz RXDJEQXDSSNLEL-YESZJQIVSA-N 2 3 319.449 0.418 20 0 DCADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246120545 945340519 /nfs/dbraw/zinc/34/05/19/945340519.db2.gz MAQJETCGOCKQLG-QZTJIDSGSA-N 2 3 302.466 0.845 20 0 DCADHP CC[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859982 945508521 /nfs/dbraw/zinc/50/85/21/945508521.db2.gz RFQMGBRAVNFNHK-XBEOPHEFSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@H]1C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859982 945508523 /nfs/dbraw/zinc/50/85/23/945508523.db2.gz RFQMGBRAVNFNHK-XBEOPHEFSA-N 2 3 321.465 0.848 20 0 DCADHP C(C[N@H+](CC1CC[NH2+]CC1)C1CCNCC1)N1CCOCC1 ZINC001246932196 945521157 /nfs/dbraw/zinc/52/11/57/945521157.db2.gz CCOXABLWPNVUKJ-UHFFFAOYSA-N 2 3 310.486 0.372 20 0 DCADHP C(C[N@@H+](CC1CC[NH2+]CC1)C1CCNCC1)N1CCOCC1 ZINC001246932196 945521160 /nfs/dbraw/zinc/52/11/60/945521160.db2.gz CCOXABLWPNVUKJ-UHFFFAOYSA-N 2 3 310.486 0.372 20 0 DCADHP O=C(CN1CCC2(CC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000431039865 417098243 /nfs/dbraw/zinc/09/82/43/417098243.db2.gz YXIFIEBRFGANSX-UHFFFAOYSA-N 2 3 320.481 0.805 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000565950639 417035807 /nfs/dbraw/zinc/03/58/07/417035807.db2.gz GUMXVQIILAYXEH-HOCLYGCPSA-N 2 3 308.470 0.648 20 0 DCADHP COCCC[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001172249786 769465896 /nfs/dbraw/zinc/46/58/96/769465896.db2.gz PBCGWYCKNWDAKM-UHFFFAOYSA-N 2 3 312.502 0.844 20 0 DCADHP CN(C)CCN(C(=O)C1CC2(CC([NH3+])C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444030 772224440 /nfs/dbraw/zinc/22/44/40/772224440.db2.gz AADGQWCQGHMLRY-UKEPKTAJSA-N 2 3 308.470 0.646 20 0 DCADHP CC[NH+]1CCC(C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208602060 773505321 /nfs/dbraw/zinc/50/53/21/773505321.db2.gz WQHBCRMLRDPKCR-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP CC[NH+]1CCC(C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208602060 773505325 /nfs/dbraw/zinc/50/53/25/773505325.db2.gz WQHBCRMLRDPKCR-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP N[C@H](C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001220791456 774916528 /nfs/dbraw/zinc/91/65/28/774916528.db2.gz YNBPRTQFQGMNLG-HRCADAONSA-N 2 3 317.437 0.175 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3C[NH2+]C[C@H](C)C3)C[C@H](C1)N2 ZINC001246096153 945337372 /nfs/dbraw/zinc/33/73/72/945337372.db2.gz DCUAJZRLYDHRSI-MREZPZHESA-N 2 3 309.454 0.894 20 0 DCADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246143890 945347977 /nfs/dbraw/zinc/34/79/77/945347977.db2.gz JWPULZFZMSGVSD-INMHGKMJSA-N 2 3 309.454 0.646 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCNC(C)(C)C1)C2 ZINC001246671099 945458962 /nfs/dbraw/zinc/45/89/62/945458962.db2.gz GZOBZZZHDHDPDK-VAVSNJLASA-N 2 3 321.465 0.848 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCNC(C)(C)C1)C2 ZINC001246671099 945458967 /nfs/dbraw/zinc/45/89/67/945458967.db2.gz GZOBZZZHDHDPDK-VAVSNJLASA-N 2 3 321.465 0.848 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@H]2C1 ZINC001551403099 1015038294 /nfs/dbraw/zinc/03/82/94/1015038294.db2.gz QBRGBZNLNGWNHC-VVLHAWIVSA-N 2 3 322.497 0.846 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@H]2C1 ZINC001551403099 1015038308 /nfs/dbraw/zinc/03/83/08/1015038308.db2.gz QBRGBZNLNGWNHC-VVLHAWIVSA-N 2 3 322.497 0.846 20 0 DCADHP c1cc(N2CC[NH2+]CC2)cc(N[C@@H](C2CC2)[C@H]2CNCCO2)[nH+]1 ZINC000635009693 417555586 /nfs/dbraw/zinc/55/55/86/417555586.db2.gz HRNYDQWVHYBQOY-WBVHZDCISA-N 2 3 317.437 0.670 20 0 DCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498451 667549601 /nfs/dbraw/zinc/54/96/01/667549601.db2.gz HZXHIZXBMJDCCQ-LSDHHAIUSA-N 2 3 310.486 0.892 20 0 DCADHP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C ZINC000870020097 667698982 /nfs/dbraw/zinc/69/89/82/667698982.db2.gz CMUCQXJLECWUGD-OAGGEKHMSA-N 2 3 312.502 0.770 20 0 DCADHP C[NH+]1CCC(NC(=O)CN2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001578524792 1165043549 /nfs/dbraw/zinc/04/35/49/1165043549.db2.gz IZXLMUMVTDTVIX-UHFFFAOYSA-N 2 3 308.470 0.662 20 0 DCADHP COC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC[NH2+]C1 ZINC001578977140 1165175975 /nfs/dbraw/zinc/17/59/75/1165175975.db2.gz UVXXBTSKQFIVOH-GOEBONIOSA-N 2 3 314.474 0.001 20 0 DCADHP COC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC[NH2+]C1 ZINC001578977140 1165175981 /nfs/dbraw/zinc/17/59/81/1165175981.db2.gz UVXXBTSKQFIVOH-GOEBONIOSA-N 2 3 314.474 0.001 20 0 DCADHP COC[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC[NH2+]C1 ZINC001578977141 1165175630 /nfs/dbraw/zinc/17/56/30/1165175630.db2.gz UVXXBTSKQFIVOH-HOCLYGCPSA-N 2 3 314.474 0.001 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158569382 764359370 /nfs/dbraw/zinc/35/93/70/764359370.db2.gz ZACJUBCCCHRNIK-RDBSUJKOSA-N 2 3 314.449 0.581 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158240719 771745001 /nfs/dbraw/zinc/74/50/01/771745001.db2.gz MNHFBQFBUIJDBS-QWRGUYRKSA-N 2 3 322.375 0.728 20 0 DCADHP N[C@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001219119216 774378494 /nfs/dbraw/zinc/37/84/94/774378494.db2.gz VQVKRTJLZZTQMG-INIZCTEOSA-N 2 3 317.437 0.362 20 0 DCADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220162870 774715879 /nfs/dbraw/zinc/71/58/79/774715879.db2.gz MRQWXDSIEGIWNY-INMHGKMJSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220162870 774715885 /nfs/dbraw/zinc/71/58/85/774715885.db2.gz MRQWXDSIEGIWNY-INMHGKMJSA-N 2 3 320.481 0.899 20 0 DCADHP NCc1ccc2c(n1)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CCC2 ZINC001220377274 774787024 /nfs/dbraw/zinc/78/70/24/774787024.db2.gz QOKVZJOEMSXAPU-CQSZACIVSA-N 2 3 303.410 0.146 20 0 DCADHP C[C@H]1C[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201555 945360719 /nfs/dbraw/zinc/36/07/19/945360719.db2.gz IBICQBOKMOEPGE-JKSUJKDBSA-N 2 3 317.474 0.505 20 0 DCADHP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246234395 945368203 /nfs/dbraw/zinc/36/82/03/945368203.db2.gz CYCIOTQMZDCZIS-XWTMOSNGSA-N 2 3 303.450 0.910 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCN[C@@H](C)C1)C2 ZINC001246673587 945458739 /nfs/dbraw/zinc/45/87/39/945458739.db2.gz OYCUXBVQEKASQL-YXJUNQHRSA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCN[C@@H](C)C1)C2 ZINC001246673587 945458741 /nfs/dbraw/zinc/45/87/41/945458741.db2.gz OYCUXBVQEKASQL-YXJUNQHRSA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCNC(C)(C)C1)C2 ZINC001246671098 945458809 /nfs/dbraw/zinc/45/88/09/945458809.db2.gz GZOBZZZHDHDPDK-NSIVTLKISA-N 2 3 321.465 0.848 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCNC(C)(C)C1)C2 ZINC001246671098 945458814 /nfs/dbraw/zinc/45/88/14/945458814.db2.gz GZOBZZZHDHDPDK-NSIVTLKISA-N 2 3 321.465 0.848 20 0 DCADHP CCOC(=O)[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008633 945542576 /nfs/dbraw/zinc/54/25/76/945542576.db2.gz NNOATWJOXAIAMB-LXTVHRRPSA-N 2 3 307.438 0.744 20 0 DCADHP [NH3+]CCCCN1CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256688404 946656316 /nfs/dbraw/zinc/65/63/16/946656316.db2.gz YCIFRMHYXALWQW-UHFFFAOYSA-N 2 3 324.513 0.986 20 0 DCADHP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001367673708 958330704 /nfs/dbraw/zinc/33/07/04/958330704.db2.gz HGHNZDHYRLZGTH-ZIAGYGMSSA-N 2 3 312.458 0.433 20 0 DCADHP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001367673708 958330714 /nfs/dbraw/zinc/33/07/14/958330714.db2.gz HGHNZDHYRLZGTH-ZIAGYGMSSA-N 2 3 312.458 0.433 20 0 DCADHP C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)C1([NH+](C)C)CCC1 ZINC001367673885 958332924 /nfs/dbraw/zinc/33/29/24/958332924.db2.gz JKOOWELVIZGUDD-OLZOCXBDSA-N 2 3 320.441 0.344 20 0 DCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000420329832 240022413 /nfs/dbraw/zinc/02/24/13/240022413.db2.gz HOMXBIZTRMXUQZ-IYBDPMFKSA-N 2 3 322.497 0.907 20 0 DCADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011344 417555119 /nfs/dbraw/zinc/55/51/19/417555119.db2.gz NGPZZAZVWSAJDN-QEJZJMRPSA-N 2 3 305.426 0.655 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903959779 663497762 /nfs/dbraw/zinc/49/77/62/663497762.db2.gz OEBSWCOTLRWPBC-RDJZCZTQSA-N 2 3 308.470 0.649 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903959779 663497763 /nfs/dbraw/zinc/49/77/63/663497763.db2.gz OEBSWCOTLRWPBC-RDJZCZTQSA-N 2 3 308.470 0.649 20 0 DCADHP [NH3+][C@@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980778 663499009 /nfs/dbraw/zinc/49/90/09/663499009.db2.gz ZPTAZUXLNGKLDD-FPMFFAJLSA-N 2 3 302.413 0.870 20 0 DCADHP [NH3+][C@@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980778 663499011 /nfs/dbraw/zinc/49/90/11/663499011.db2.gz ZPTAZUXLNGKLDD-FPMFFAJLSA-N 2 3 302.413 0.870 20 0 DCADHP [NH3+][C@@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980778 663499012 /nfs/dbraw/zinc/49/90/12/663499012.db2.gz ZPTAZUXLNGKLDD-FPMFFAJLSA-N 2 3 302.413 0.870 20 0 DCADHP COC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC[NH2+]C1 ZINC001578977141 1165175628 /nfs/dbraw/zinc/17/56/28/1165175628.db2.gz UVXXBTSKQFIVOH-HOCLYGCPSA-N 2 3 314.474 0.001 20 0 DCADHP NCc1cn([C@@H]2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548047 1172964445 /nfs/dbraw/zinc/96/44/45/1172964445.db2.gz UGAYPZVHWDUTOM-BZUAXINKSA-N 2 3 320.441 0.142 20 0 DCADHP NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nn1 ZINC001647548047 1172964448 /nfs/dbraw/zinc/96/44/48/1172964448.db2.gz UGAYPZVHWDUTOM-BZUAXINKSA-N 2 3 320.441 0.142 20 0 DCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001157414333 762092558 /nfs/dbraw/zinc/09/25/58/762092558.db2.gz ZWBPUXKLEIFBEK-AWEZNQCLSA-N 2 3 323.466 0.490 20 0 DCADHP [NH3+]CCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204734 769779621 /nfs/dbraw/zinc/77/96/21/769779621.db2.gz HWYYCVRAJWTLIB-UHFFFAOYSA-N 2 3 323.485 0.979 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001160696517 772098786 /nfs/dbraw/zinc/09/87/86/772098786.db2.gz WOMMORLJKAADAM-CVEARBPZSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001160696517 772098789 /nfs/dbraw/zinc/09/87/89/772098789.db2.gz WOMMORLJKAADAM-CVEARBPZSA-N 2 3 322.497 0.908 20 0 DCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001160696517 772098795 /nfs/dbraw/zinc/09/87/95/772098795.db2.gz WOMMORLJKAADAM-CVEARBPZSA-N 2 3 322.497 0.908 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778777 772110083 /nfs/dbraw/zinc/11/00/83/772110083.db2.gz DGZOYQJZPLEOAA-RYRKJORJSA-N 2 3 316.449 0.442 20 0 DCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612863 774556877 /nfs/dbraw/zinc/55/68/77/774556877.db2.gz GOAGCJDVWVFKCL-AAEUAGOBSA-N 2 3 324.391 0.893 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001219641811 774569124 /nfs/dbraw/zinc/56/91/24/774569124.db2.gz LNLMRLJZHGIMJE-HRCADAONSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001219641811 774569129 /nfs/dbraw/zinc/56/91/29/774569129.db2.gz LNLMRLJZHGIMJE-HRCADAONSA-N 2 3 322.497 0.812 20 0 DCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001219641811 774569134 /nfs/dbraw/zinc/56/91/34/774569134.db2.gz LNLMRLJZHGIMJE-HRCADAONSA-N 2 3 322.497 0.812 20 0 DCADHP CCOC(=O)C[C@@H]([NH2+]C[C@]1(O)CCCNC1)C1CC[NH2+]CC1 ZINC001246003237 945312424 /nfs/dbraw/zinc/31/24/24/945312424.db2.gz QGOHCXJJRQVATE-ZBFHGGJFSA-N 2 3 313.442 0.012 20 0 DCADHP CCOC(=O)C[C@@H](NC[C@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246003237 945312433 /nfs/dbraw/zinc/31/24/33/945312433.db2.gz QGOHCXJJRQVATE-ZBFHGGJFSA-N 2 3 313.442 0.012 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]C[C@@H](C)C3)C[C@H](C1)N2 ZINC001246096155 945338371 /nfs/dbraw/zinc/33/83/71/945338371.db2.gz DCUAJZRLYDHRSI-VQSTVTDHSA-N 2 3 309.454 0.894 20 0 DCADHP O=C1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001246622908 945444790 /nfs/dbraw/zinc/44/47/90/945444790.db2.gz AFUUFRYFHRYTPB-AWEZNQCLSA-N 2 3 306.454 0.463 20 0 DCADHP C[C@H]1C[C@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935252 945520945 /nfs/dbraw/zinc/52/09/45/945520945.db2.gz KYOKLZVYAJJMGR-FUHWJXTLSA-N 2 3 324.513 0.761 20 0 DCADHP C[C@H]1C[C@H]([N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCN1 ZINC001246935252 945520951 /nfs/dbraw/zinc/52/09/51/945520951.db2.gz KYOKLZVYAJJMGR-FUHWJXTLSA-N 2 3 324.513 0.761 20 0 DCADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424272380 416636521 /nfs/dbraw/zinc/63/65/21/416636521.db2.gz QOWYLIGNVUZWFI-HUUCEWRRSA-N 2 3 322.428 0.655 20 0 DCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[NH2+]C ZINC000659649776 418136912 /nfs/dbraw/zinc/13/69/12/418136912.db2.gz ZJIHQOQEPGTZGM-CABCVRRESA-N 2 3 313.490 0.652 20 0 DCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[NH2+]C ZINC000659649776 418136915 /nfs/dbraw/zinc/13/69/15/418136915.db2.gz ZJIHQOQEPGTZGM-CABCVRRESA-N 2 3 313.490 0.652 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC000649312113 418233408 /nfs/dbraw/zinc/23/34/08/418233408.db2.gz QUNGXJLUQCAQPC-ZSHCYNCHSA-N 2 3 306.454 0.127 20 0 DCADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904350383 663509316 /nfs/dbraw/zinc/50/93/16/663509316.db2.gz KCACKBCGVAIOGH-MRXNPFEDSA-N 2 3 304.438 0.965 20 0 DCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028121 670751580 /nfs/dbraw/zinc/75/15/80/670751580.db2.gz FNAPDKMXDSREFU-HNNXBMFYSA-N 2 3 312.506 0.468 20 0 DCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849108486 670758412 /nfs/dbraw/zinc/75/84/12/670758412.db2.gz VICLDLRCFWCDFG-HNNXBMFYSA-N 2 3 324.517 0.611 20 0 DCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108486 670758415 /nfs/dbraw/zinc/75/84/15/670758415.db2.gz VICLDLRCFWCDFG-HNNXBMFYSA-N 2 3 324.517 0.611 20 0 DCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335559 771761281 /nfs/dbraw/zinc/76/12/81/771761281.db2.gz CEFDLYUIXCIBIF-HRCADAONSA-N 2 3 302.422 0.541 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@@H]12 ZINC001161413747 772219308 /nfs/dbraw/zinc/21/93/08/772219308.db2.gz RDRITDIBSPJGSP-YALNPMBYSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@@H]12 ZINC001161413747 772219311 /nfs/dbraw/zinc/21/93/11/772219311.db2.gz RDRITDIBSPJGSP-YALNPMBYSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CCNCC4)C3)C[C@@H]12 ZINC001161413747 772219316 /nfs/dbraw/zinc/21/93/16/772219316.db2.gz RDRITDIBSPJGSP-YALNPMBYSA-N 2 3 320.481 0.646 20 0 DCADHP C[NH2+]C1CCC(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CC1 ZINC001161446321 772224482 /nfs/dbraw/zinc/22/44/82/772224482.db2.gz SAVOIXBILCIDKT-GPANFISMSA-N 2 3 310.486 0.907 20 0 DCADHP [NH3+][C@@H]1CCc2nc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)sc2C1 ZINC001218533697 774239608 /nfs/dbraw/zinc/23/96/08/774239608.db2.gz RGXYQXWHBMYFNF-IQMDTDKHSA-N 2 3 321.450 0.097 20 0 DCADHP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220043256 774679298 /nfs/dbraw/zinc/67/92/98/774679298.db2.gz LELJYGIQCQATGA-ZDUSSCGKSA-N 2 3 308.430 0.265 20 0 DCADHP N[C@@H](C(=O)NCC1(CC2CCC2)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001221130421 775002487 /nfs/dbraw/zinc/00/24/87/775002487.db2.gz RFMAILVNRAGSSM-MRXNPFEDSA-N 2 3 322.497 0.990 20 0 DCADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221248197 775043109 /nfs/dbraw/zinc/04/31/09/775043109.db2.gz NCBDOHJJAGMRJZ-CRAIPNDOSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221248197 775043117 /nfs/dbraw/zinc/04/31/17/775043117.db2.gz NCBDOHJJAGMRJZ-CRAIPNDOSA-N 2 3 320.481 0.899 20 0 DCADHP O[C@@]1(CNCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245999089 945310163 /nfs/dbraw/zinc/31/01/63/945310163.db2.gz UHIMCSGIMFCYCW-KRWDZBQOSA-N 2 3 307.413 0.761 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+][C@@H](C(C)C)C3C[NH2+]C3)C[C@H](C1)N2 ZINC001246514436 945424602 /nfs/dbraw/zinc/42/46/02/945424602.db2.gz HQXNACVHLIPMHD-XKNQCCKQSA-N 2 3 309.454 0.892 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632179 945446540 /nfs/dbraw/zinc/44/65/40/945446540.db2.gz ZYPQJPXQXSOWHT-ZVZYQTTQSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CC21CNC1 ZINC001246632179 945446548 /nfs/dbraw/zinc/44/65/48/945446548.db2.gz ZYPQJPXQXSOWHT-ZVZYQTTQSA-N 2 3 318.465 0.320 20 0 DCADHP [NH3+]CCCC[C@H]([NH3+])Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248222632 945595879 /nfs/dbraw/zinc/59/58/79/945595879.db2.gz FLZYSIIVXJUDCL-LBPRGKRZSA-N 2 3 316.409 0.776 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC001356069576 956771969 /nfs/dbraw/zinc/77/19/69/956771969.db2.gz HKKZMTXWHCMDGG-MSOLQXFVSA-N 2 3 322.497 0.467 20 0 DCADHP C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)C1([NH+](C)C)CCC1 ZINC001367673882 958329595 /nfs/dbraw/zinc/32/95/95/958329595.db2.gz JKOOWELVIZGUDD-CHWSQXEVSA-N 2 3 320.441 0.344 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)CC1 ZINC000444162570 416808700 /nfs/dbraw/zinc/80/87/00/416808700.db2.gz SUMOBGDSQSEAPW-SJLPKXTDSA-N 2 3 320.481 0.661 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000665289741 418192104 /nfs/dbraw/zinc/19/21/04/418192104.db2.gz WGYIJGIHIFKBIY-GDBMZVCRSA-N 2 3 310.486 0.955 20 0 DCADHP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000650720669 418321380 /nfs/dbraw/zinc/32/13/80/418321380.db2.gz XYHPQQJPGKGDRP-CQSZACIVSA-N 2 3 304.438 0.693 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000891463697 658881018 /nfs/dbraw/zinc/88/10/18/658881018.db2.gz ZPTDQHSWWDMUIE-HDJSIYSDSA-N 2 3 323.485 0.582 20 0 DCADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903746114 663476896 /nfs/dbraw/zinc/47/68/96/663476896.db2.gz FNXFXINMISOYMN-UXLLHSPISA-N 2 3 324.469 0.075 20 0 DCADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903746117 663476900 /nfs/dbraw/zinc/47/69/00/663476900.db2.gz FNXFXINMISOYMN-ZOBUZTSGSA-N 2 3 324.469 0.075 20 0 DCADHP CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578524193 1165043336 /nfs/dbraw/zinc/04/33/36/1165043336.db2.gz AQBMIYSYSDMYFQ-MRXNPFEDSA-N 2 3 310.486 0.465 20 0 DCADHP CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578524193 1165043340 /nfs/dbraw/zinc/04/33/40/1165043340.db2.gz AQBMIYSYSDMYFQ-MRXNPFEDSA-N 2 3 310.486 0.465 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)CC2)CC1 ZINC001646739328 1172502108 /nfs/dbraw/zinc/50/21/08/1172502108.db2.gz FFNYGTQWVHOGSE-IXDOHACOSA-N 2 3 320.481 0.517 20 0 DCADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182561976 771510376 /nfs/dbraw/zinc/51/03/76/771510376.db2.gz XUGGBNXYVGZKIX-AWEZNQCLSA-N 2 3 309.458 0.925 20 0 DCADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335442 771761105 /nfs/dbraw/zinc/76/11/05/771761105.db2.gz SLFFCNZOVXKEFY-BHYGNILZSA-N 2 3 316.449 0.931 20 0 DCADHP CN(C)CCN(C(=O)[C@]1(C)CC(C)(C)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447762 772225265 /nfs/dbraw/zinc/22/52/65/772225265.db2.gz ZBYCJOSPMQYHHZ-YOEHRIQHSA-N 2 3 310.486 0.907 20 0 DCADHP CCN(CC)CCNC(=[NH2+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001163122158 772467881 /nfs/dbraw/zinc/46/78/81/772467881.db2.gz CDZSDEHODHRZKZ-UHFFFAOYSA-N 2 3 305.430 0.443 20 0 DCADHP N[C@@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C1CC[NH2+]CC1 ZINC001218533211 774239723 /nfs/dbraw/zinc/23/97/23/774239723.db2.gz LAVIWSQQCZNYMC-BXKDBHETSA-N 2 3 309.439 0.225 20 0 DCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219943522 774653037 /nfs/dbraw/zinc/65/30/37/774653037.db2.gz LYJYYPCDWCBMKX-OAHLLOKOSA-N 2 3 302.422 0.173 20 0 DCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC(F)F ZINC000314352798 774674532 /nfs/dbraw/zinc/67/45/32/774674532.db2.gz WHWBGNGWMNPCNJ-LBPRGKRZSA-N 2 3 308.417 0.701 20 0 DCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220062291 774684965 /nfs/dbraw/zinc/68/49/65/774684965.db2.gz UEEULVOVFHNROQ-BFYDXBDKSA-N 2 3 308.470 0.566 20 0 DCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220062291 774684969 /nfs/dbraw/zinc/68/49/69/774684969.db2.gz UEEULVOVFHNROQ-BFYDXBDKSA-N 2 3 308.470 0.566 20 0 DCADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221062899 774987845 /nfs/dbraw/zinc/98/78/45/774987845.db2.gz FDRSVNGFTHPUDO-JKSUJKDBSA-N 2 3 304.438 0.833 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221062899 774987849 /nfs/dbraw/zinc/98/78/49/774987849.db2.gz FDRSVNGFTHPUDO-JKSUJKDBSA-N 2 3 304.438 0.833 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221062899 774987854 /nfs/dbraw/zinc/98/78/54/774987854.db2.gz FDRSVNGFTHPUDO-JKSUJKDBSA-N 2 3 304.438 0.833 20 0 DCADHP CC(C)CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187657 775021081 /nfs/dbraw/zinc/02/10/81/775021081.db2.gz DMIIAJJJHUSMMM-YFHUEUNASA-N 2 3 322.497 0.940 20 0 DCADHP c1cc2n(c1CN1CCOCC3(CC[NH2+]CC3)C1)CC[NH2+]C2 ZINC001222407652 775343216 /nfs/dbraw/zinc/34/32/16/775343216.db2.gz LJVBACCTAWUKNV-UHFFFAOYSA-N 2 3 304.438 0.793 20 0 DCADHP O[C@H](C[N@H+](C1CCC1)C1CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001246071207 945332044 /nfs/dbraw/zinc/33/20/44/945332044.db2.gz RDSWNWUTLNLKOM-INIZCTEOSA-N 2 3 311.470 0.458 20 0 DCADHP O[C@H](C[N@@H+](C1CCC1)C1CCNCC1)CC1(O)CC[NH2+]CC1 ZINC001246071207 945332050 /nfs/dbraw/zinc/33/20/50/945332050.db2.gz RDSWNWUTLNLKOM-INIZCTEOSA-N 2 3 311.470 0.458 20 0 DCADHP O[C@H](CN(C1CCC1)C1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246071207 945332060 /nfs/dbraw/zinc/33/20/60/945332060.db2.gz RDSWNWUTLNLKOM-INIZCTEOSA-N 2 3 311.470 0.458 20 0 DCADHP C(NC1CCC2(CC[NH2+]C2)CC1)c1nnn2c1C[NH2+]CCC2 ZINC001246132363 945341902 /nfs/dbraw/zinc/34/19/02/945341902.db2.gz MALTYURQBZCDEO-UHFFFAOYSA-N 2 3 304.442 0.783 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631436 945446315 /nfs/dbraw/zinc/44/63/15/945446315.db2.gz XIVCGFWPJZPSDZ-KDOFPFPSSA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631436 945446319 /nfs/dbraw/zinc/44/63/19/945446319.db2.gz XIVCGFWPJZPSDZ-KDOFPFPSSA-N 2 3 318.465 0.320 20 0 DCADHP CCOC(=O)[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008626 945540946 /nfs/dbraw/zinc/54/09/46/945540946.db2.gz NNOATWJOXAIAMB-CBBWQLFWSA-N 2 3 307.438 0.744 20 0 DCADHP CCOC(=O)[C@H]1CN(C2C[C@@H](C)[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010013 945543220 /nfs/dbraw/zinc/54/32/20/945543220.db2.gz UPSBAHWFPOZOGP-UMVBOHGHSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@H]1C[N@@H+](C2C[C@@H](C)N[C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010013 945543225 /nfs/dbraw/zinc/54/32/25/945543225.db2.gz UPSBAHWFPOZOGP-UMVBOHGHSA-N 2 3 309.454 0.990 20 0 DCADHP CCOC(=O)[C@H]1C[N@H+](C2C[C@@H](C)N[C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010013 945543228 /nfs/dbraw/zinc/54/32/28/945543228.db2.gz UPSBAHWFPOZOGP-UMVBOHGHSA-N 2 3 309.454 0.990 20 0 DCADHP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000629591638 396802985 /nfs/dbraw/zinc/80/29/85/396802985.db2.gz LKCBLYIYYGFEKB-HOTGVXAUSA-N 2 3 309.454 0.598 20 0 DCADHP O=C(NC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230701 397537876 /nfs/dbraw/zinc/53/78/76/397537876.db2.gz SWZCTKQVIBHZTF-JYJNAYRXSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230701 397537878 /nfs/dbraw/zinc/53/78/78/397537878.db2.gz SWZCTKQVIBHZTF-JYJNAYRXSA-N 2 3 308.470 0.566 20 0 DCADHP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000579230701 397537880 /nfs/dbraw/zinc/53/78/80/397537880.db2.gz SWZCTKQVIBHZTF-JYJNAYRXSA-N 2 3 308.470 0.566 20 0 DCADHP CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000659624282 418129982 /nfs/dbraw/zinc/12/99/82/418129982.db2.gz QKFXHGCONQDYMN-CQSZACIVSA-N 2 3 301.479 0.495 20 0 DCADHP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCCC[NH3+])c2)C1 ZINC000415090511 546236107 /nfs/dbraw/zinc/23/61/07/546236107.db2.gz PCDGRIIJUOPUHQ-INIZCTEOSA-N 2 3 304.438 0.822 20 0 DCADHP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCCC[NH3+])c2)C1 ZINC000415090511 546236111 /nfs/dbraw/zinc/23/61/11/546236111.db2.gz PCDGRIIJUOPUHQ-INIZCTEOSA-N 2 3 304.438 0.822 20 0 DCADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904350382 663509562 /nfs/dbraw/zinc/50/95/62/663509562.db2.gz KCACKBCGVAIOGH-INIZCTEOSA-N 2 3 304.438 0.965 20 0 DCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923498446 667549530 /nfs/dbraw/zinc/54/95/30/667549530.db2.gz HZXHIZXBMJDCCQ-CABCVRRESA-N 2 3 310.486 0.892 20 0 DCADHP [NH3+][C@H]1CCN(C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617360 770012456 /nfs/dbraw/zinc/01/24/56/770012456.db2.gz UOUHLVHKPVHPFF-AWEZNQCLSA-N 2 3 318.469 0.026 20 0 DCADHP N[C@H]1CC[N@@H+](C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617360 770012466 /nfs/dbraw/zinc/01/24/66/770012466.db2.gz UOUHLVHKPVHPFF-AWEZNQCLSA-N 2 3 318.469 0.026 20 0 DCADHP N[C@H]1CC[N@H+](C2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C1 ZINC001236617360 770012478 /nfs/dbraw/zinc/01/24/78/770012478.db2.gz UOUHLVHKPVHPFF-AWEZNQCLSA-N 2 3 318.469 0.026 20 0 DCADHP CC[C@@]1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161444287 772224661 /nfs/dbraw/zinc/22/46/61/772224661.db2.gz FZFFBNSDNDMEOT-DOTOQJQBSA-N 2 3 310.486 0.908 20 0 DCADHP CN(C)CCN(C(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2)[C@H]1CCC[NH2+]C1 ZINC001161449835 772225226 /nfs/dbraw/zinc/22/52/26/772225226.db2.gz TYXPRBGYXASJLK-OLMNGRFOSA-N 2 3 308.470 0.502 20 0 DCADHP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218997408 774344657 /nfs/dbraw/zinc/34/46/57/774344657.db2.gz TXEPHZCCMHJRIQ-HDMKZQKVSA-N 2 3 314.433 0.901 20 0 DCADHP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220164309 774715787 /nfs/dbraw/zinc/71/57/87/774715787.db2.gz ZYORNLZGCIDTEB-YALNPMBYSA-N 2 3 306.454 0.224 20 0 DCADHP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)CC(C)(C)CC[NH3+] ZINC001220763955 774910364 /nfs/dbraw/zinc/91/03/64/774910364.db2.gz UDBPIIRZHXUHAT-CKEIUWERSA-N 2 3 310.486 0.703 20 0 DCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221394955 775086133 /nfs/dbraw/zinc/08/61/33/775086133.db2.gz KAFCOVRMJUXMGK-XLMAVXFVSA-N 2 3 322.497 0.955 20 0 DCADHP CCOC(=O)[C@@H]1CC[C@H](NCCC[NH2+]CCCC[NH3+])CO1 ZINC001246456686 945412338 /nfs/dbraw/zinc/41/23/38/945412338.db2.gz LGLRPQFMHIJFLB-KBPBESRZSA-N 2 3 301.431 0.405 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCCCNC1)C2 ZINC001246674375 945458128 /nfs/dbraw/zinc/45/81/28/945458128.db2.gz RZKMRRJSNUZRNL-GAGVYUBLSA-N 2 3 307.438 0.459 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCCCNC1)C2 ZINC001246674375 945458131 /nfs/dbraw/zinc/45/81/31/945458131.db2.gz RZKMRRJSNUZRNL-GAGVYUBLSA-N 2 3 307.438 0.459 20 0 DCADHP C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000578744260 397476565 /nfs/dbraw/zinc/47/65/65/397476565.db2.gz YEBYMPCLBSUNBU-LSDHHAIUSA-N 2 3 313.490 0.509 20 0 DCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579238768 397541282 /nfs/dbraw/zinc/54/12/82/397541282.db2.gz WLVSOKHSLXXGFV-HOCLYGCPSA-N 2 3 308.470 0.505 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579238769 397541756 /nfs/dbraw/zinc/54/17/56/397541756.db2.gz WLVSOKHSLXXGFV-ZBFHGGJFSA-N 2 3 308.470 0.505 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000420307774 287288413 /nfs/dbraw/zinc/28/84/13/287288413.db2.gz MMVRFMPXWCOTDD-WKULXVSPSA-N 2 3 303.450 0.977 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000420307774 287288414 /nfs/dbraw/zinc/28/84/14/287288414.db2.gz MMVRFMPXWCOTDD-WKULXVSPSA-N 2 3 303.450 0.977 20 0 DCADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCN1CC[NH2+]CC1 ZINC000423199542 416476346 /nfs/dbraw/zinc/47/63/46/416476346.db2.gz BWBYDKCGURMTMX-SJLPKXTDSA-N 2 3 316.449 0.737 20 0 DCADHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC001772537310 1157546891 /nfs/dbraw/zinc/54/68/91/1157546891.db2.gz JDQPIZTZXTUHHM-HZPDHXFCSA-N 2 3 309.454 0.600 20 0 DCADHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC001772537310 1157546893 /nfs/dbraw/zinc/54/68/93/1157546893.db2.gz JDQPIZTZXTUHHM-HZPDHXFCSA-N 2 3 309.454 0.600 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001579396969 1165297990 /nfs/dbraw/zinc/29/79/90/1165297990.db2.gz AECRDLNBKXZPLL-MJBXVCDLSA-N 2 3 302.438 0.322 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001579396969 1165297996 /nfs/dbraw/zinc/29/79/96/1165297996.db2.gz AECRDLNBKXZPLL-MJBXVCDLSA-N 2 3 302.438 0.322 20 0 DCADHP c1cc(N2CC[NH2+]CC2)ncc1CN1CCC(C2C[NH2+]C2)CC1 ZINC001235341007 769821940 /nfs/dbraw/zinc/82/19/40/769821940.db2.gz XSLWNLAYFOGOLC-UHFFFAOYSA-N 2 3 315.465 0.923 20 0 DCADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001158081965 771723439 /nfs/dbraw/zinc/72/34/39/771723439.db2.gz JEYLMUGVVXSWAL-AWEZNQCLSA-N 2 3 306.454 0.591 20 0 DCADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001158081965 771723441 /nfs/dbraw/zinc/72/34/41/771723441.db2.gz JEYLMUGVVXSWAL-AWEZNQCLSA-N 2 3 306.454 0.591 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968596 771840959 /nfs/dbraw/zinc/84/09/59/771840959.db2.gz UCFTZRDFXNYPKF-HNNXBMFYSA-N 2 3 308.470 0.920 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968596 771840966 /nfs/dbraw/zinc/84/09/66/771840966.db2.gz UCFTZRDFXNYPKF-HNNXBMFYSA-N 2 3 308.470 0.920 20 0 DCADHP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001161175342 772181471 /nfs/dbraw/zinc/18/14/71/772181471.db2.gz LAFYJFXWFSRNEH-JYJNAYRXSA-N 2 3 310.486 0.846 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)C[NH2+]1 ZINC001219684199 774579029 /nfs/dbraw/zinc/57/90/29/774579029.db2.gz KWSHRJRJEDJXAL-KFWWJZLASA-N 2 3 308.470 0.565 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)C[NH2+]1 ZINC001219684199 774579033 /nfs/dbraw/zinc/57/90/33/774579033.db2.gz KWSHRJRJEDJXAL-KFWWJZLASA-N 2 3 308.470 0.565 20 0 DCADHP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001219684199 774579037 /nfs/dbraw/zinc/57/90/37/774579037.db2.gz KWSHRJRJEDJXAL-KFWWJZLASA-N 2 3 308.470 0.565 20 0 DCADHP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220164310 774715635 /nfs/dbraw/zinc/71/56/35/774715635.db2.gz ZYORNLZGCIDTEB-YQFWSFKMSA-N 2 3 306.454 0.224 20 0 DCADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220162868 774715819 /nfs/dbraw/zinc/71/58/19/774715819.db2.gz MRQWXDSIEGIWNY-BFYDXBDKSA-N 2 3 320.481 0.899 20 0 DCADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220162868 774715824 /nfs/dbraw/zinc/71/58/24/774715824.db2.gz MRQWXDSIEGIWNY-BFYDXBDKSA-N 2 3 320.481 0.899 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245978067 945305934 /nfs/dbraw/zinc/30/59/34/945305934.db2.gz ITADDIQFAZOAQX-NNPSNHGLSA-N 2 3 319.449 0.131 20 0 DCADHP [NH3+]CCCNCCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001246006468 945312058 /nfs/dbraw/zinc/31/20/58/945312058.db2.gz BGZRSUUACVFMRF-SFHVURJKSA-N 2 3 320.481 0.542 20 0 DCADHP O[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCNC[C@@H]1F ZINC001246085373 945334113 /nfs/dbraw/zinc/33/41/13/945334113.db2.gz WTXYLYBKPPKDHP-JKSUJKDBSA-N 2 3 308.401 0.703 20 0 DCADHP C(NC1CCC2(CC1)C[NH2+]CCO2)c1nnn2c1C[NH2+]CCC2 ZINC001246132354 945342505 /nfs/dbraw/zinc/34/25/05/945342505.db2.gz LZJPCSKCABNNAO-UHFFFAOYSA-N 2 3 320.441 0.162 20 0 DCADHP [NH3+]CCCOCCOCCOCCC[NH2+]C1CCNCC1 ZINC001246203866 945361235 /nfs/dbraw/zinc/36/12/35/945361235.db2.gz ZHQQWJPPMVQSQM-UHFFFAOYSA-N 2 3 303.447 0.117 20 0 DCADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CCOC3(C[NH2+]C3)C2)c1 ZINC001246339974 945389005 /nfs/dbraw/zinc/38/90/05/945389005.db2.gz JGQSTCAZSIYNOL-PMPSAXMXSA-N 2 3 302.422 0.843 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677102 945457970 /nfs/dbraw/zinc/45/79/70/945457970.db2.gz BRQZFVSXWYHGQB-MPTYRVRUSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677102 945457977 /nfs/dbraw/zinc/45/79/77/945457977.db2.gz BRQZFVSXWYHGQB-MPTYRVRUSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247008639 945543245 /nfs/dbraw/zinc/54/32/45/945543245.db2.gz NNOATWJOXAIAMB-YJNKXOJESA-N 2 3 307.438 0.744 20 0 DCADHP C[C@@H]1CN(C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000561230951 396635532 /nfs/dbraw/zinc/63/55/32/396635532.db2.gz GSJWHDLQANJTPX-GDBMZVCRSA-N 2 3 313.490 0.448 20 0 DCADHP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000629591641 396802075 /nfs/dbraw/zinc/80/20/75/396802075.db2.gz LKCBLYIYYGFEKB-JKSUJKDBSA-N 2 3 309.454 0.598 20 0 DCADHP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000423171605 416473346 /nfs/dbraw/zinc/47/33/46/416473346.db2.gz PDXRWYHKWPDVME-DLBZAZTESA-N 2 3 324.513 0.903 20 0 DCADHP CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423202403 416478536 /nfs/dbraw/zinc/47/85/36/416478536.db2.gz KNJQWMSRNLYPBO-DLBZAZTESA-N 2 3 312.502 0.618 20 0 DCADHP CCOCCC[N@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423202403 416478541 /nfs/dbraw/zinc/47/85/41/416478541.db2.gz KNJQWMSRNLYPBO-DLBZAZTESA-N 2 3 312.502 0.618 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659380 418173261 /nfs/dbraw/zinc/17/32/61/418173261.db2.gz BWRREHQAWYQEFT-GASCZTMLSA-N 2 3 313.490 0.461 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000565950633 288890200 /nfs/dbraw/zinc/89/02/00/288890200.db2.gz GUMXVQIILAYXEH-GDBMZVCRSA-N 2 3 308.470 0.648 20 0 DCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028122 670751762 /nfs/dbraw/zinc/75/17/62/670751762.db2.gz FNAPDKMXDSREFU-OAHLLOKOSA-N 2 3 312.506 0.468 20 0 DCADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001579396967 1165298118 /nfs/dbraw/zinc/29/81/18/1165298118.db2.gz AECRDLNBKXZPLL-IHRRRGAJSA-N 2 3 302.438 0.322 20 0 DCADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001579396967 1165298124 /nfs/dbraw/zinc/29/81/24/1165298124.db2.gz AECRDLNBKXZPLL-IHRRRGAJSA-N 2 3 302.438 0.322 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001771784437 1190498652 /nfs/dbraw/zinc/49/86/52/1190498652.db2.gz YNLPLNZKRBHFKO-CQSZACIVSA-N 2 3 308.470 0.661 20 0 DCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028675 771715242 /nfs/dbraw/zinc/71/52/42/771715242.db2.gz UDAHAMNSKPBIKK-WBVHZDCISA-N 2 3 320.481 0.568 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@H]12 ZINC001161413665 772219782 /nfs/dbraw/zinc/21/97/82/772219782.db2.gz RDRITDIBSPJGSP-TXCZRRACSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@H]12 ZINC001161413665 772219784 /nfs/dbraw/zinc/21/97/84/772219784.db2.gz RDRITDIBSPJGSP-TXCZRRACSA-N 2 3 320.481 0.646 20 0 DCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CCNCC4)C3)C[C@H]12 ZINC001161413665 772219787 /nfs/dbraw/zinc/21/97/87/772219787.db2.gz RDRITDIBSPJGSP-TXCZRRACSA-N 2 3 320.481 0.646 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725576 774289562 /nfs/dbraw/zinc/28/95/62/774289562.db2.gz XXZMZRMXVDJUTN-AWEZNQCLSA-N 2 3 320.441 0.404 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233820 774417974 /nfs/dbraw/zinc/41/79/74/774417974.db2.gz WZMBDCADZJNVTI-IUODEOHRSA-N 2 3 305.426 0.619 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610764 774555665 /nfs/dbraw/zinc/55/56/65/774555665.db2.gz RMMYYWHSSUUPPI-CMPLNLGQSA-N 2 3 310.364 0.456 20 0 DCADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219610770 774555943 /nfs/dbraw/zinc/55/59/43/774555943.db2.gz RNKYPNCBPFGTPV-GWCFXTLKSA-N 2 3 320.359 0.271 20 0 DCADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219610770 774555946 /nfs/dbraw/zinc/55/59/46/774555946.db2.gz RNKYPNCBPFGTPV-GWCFXTLKSA-N 2 3 320.359 0.271 20 0 DCADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219773002 774602558 /nfs/dbraw/zinc/60/25/58/774602558.db2.gz JHHABUJFJPTMQJ-AWEZNQCLSA-N 2 3 306.454 0.509 20 0 DCADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219773002 774602561 /nfs/dbraw/zinc/60/25/61/774602561.db2.gz JHHABUJFJPTMQJ-AWEZNQCLSA-N 2 3 306.454 0.509 20 0 DCADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220679021 774886497 /nfs/dbraw/zinc/88/64/97/774886497.db2.gz REXNYLZYYBPKNX-YJNKXOJESA-N 2 3 306.454 0.650 20 0 DCADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220679021 774886502 /nfs/dbraw/zinc/88/65/02/774886502.db2.gz REXNYLZYYBPKNX-YJNKXOJESA-N 2 3 306.454 0.650 20 0 DCADHP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)CC(C)(C)CC[NH3+] ZINC001220763956 774909749 /nfs/dbraw/zinc/90/97/49/774909749.db2.gz UDBPIIRZHXUHAT-JJRVBVJISA-N 2 3 310.486 0.703 20 0 DCADHP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)c1 ZINC001221092032 774994680 /nfs/dbraw/zinc/99/46/80/774994680.db2.gz LXDJZCUJZWKIMI-HNNXBMFYSA-N 2 3 320.437 0.538 20 0 DCADHP CN(C)CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031132 945209793 /nfs/dbraw/zinc/20/97/93/945209793.db2.gz SDBXQUYQCIBFHX-QGZVFWFLSA-N 2 3 308.470 0.615 20 0 DCADHP CN(C)CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031132 945209801 /nfs/dbraw/zinc/20/98/01/945209801.db2.gz SDBXQUYQCIBFHX-QGZVFWFLSA-N 2 3 308.470 0.615 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976600 945302678 /nfs/dbraw/zinc/30/26/78/945302678.db2.gz DXIHLFZSSHHJNW-NXOAAHMSSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976600 945302687 /nfs/dbraw/zinc/30/26/87/945302687.db2.gz DXIHLFZSSHHJNW-NXOAAHMSSA-N 2 3 305.422 0.028 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCCCN1CC[NH2+]CC1 ZINC001245971561 945303836 /nfs/dbraw/zinc/30/38/36/945303836.db2.gz GSMAACHNCKXEJH-ZWKOTPCHSA-N 2 3 320.481 0.192 20 0 DCADHP [NH3+]CCCNCCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001246006202 945312110 /nfs/dbraw/zinc/31/21/10/945312110.db2.gz BGZRSUUACVFMRF-GOSISDBHSA-N 2 3 320.481 0.542 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]CC[C@H]3C)C[C@H](C1)N2 ZINC001246113228 945339114 /nfs/dbraw/zinc/33/91/14/945339114.db2.gz PTQPYECWBRZUIY-JTUARXPBSA-N 2 3 309.454 0.894 20 0 DCADHP CCOC(=O)[C@H]1CC[C@@H](NCCC[NH2+]CCCC[NH3+])CO1 ZINC001246456689 945412732 /nfs/dbraw/zinc/41/27/32/945412732.db2.gz LGLRPQFMHIJFLB-ZIAGYGMSSA-N 2 3 301.431 0.405 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@H]3CCOC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246496750 945419392 /nfs/dbraw/zinc/41/93/92/945419392.db2.gz VQYXJGHNQXKORI-HNNXBMFYSA-N 2 3 304.438 0.549 20 0 DCADHP CC[NH+](CC)CCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246527200 945426730 /nfs/dbraw/zinc/42/67/30/945426730.db2.gz DTLOVNSQEZUOGU-MRXNPFEDSA-N 2 3 309.502 0.040 20 0 DCADHP O=C1NCC[C@]12C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631443 945445993 /nfs/dbraw/zinc/44/59/93/945445993.db2.gz XIVCGFWPJZPSDZ-KSSFIOAISA-N 2 3 318.465 0.320 20 0 DCADHP O=C1NCC[C@]12C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC21CNC1 ZINC001246631443 945445999 /nfs/dbraw/zinc/44/59/99/945445999.db2.gz XIVCGFWPJZPSDZ-KSSFIOAISA-N 2 3 318.465 0.320 20 0 DCADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000578744259 397476480 /nfs/dbraw/zinc/47/64/80/397476480.db2.gz YEBYMPCLBSUNBU-HUUCEWRRSA-N 2 3 313.490 0.509 20 0 DCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991511 417554071 /nfs/dbraw/zinc/55/40/71/417554071.db2.gz HLMKCLNHQFWQSK-BZUAXINKSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991511 417554075 /nfs/dbraw/zinc/55/40/75/417554075.db2.gz HLMKCLNHQFWQSK-BZUAXINKSA-N 2 3 310.486 0.798 20 0 DCADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634991511 417554079 /nfs/dbraw/zinc/55/40/79/417554079.db2.gz HLMKCLNHQFWQSK-BZUAXINKSA-N 2 3 310.486 0.798 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650716870 418321441 /nfs/dbraw/zinc/32/14/41/418321441.db2.gz MDLIXLGOZFOYSM-CYBMUJFWSA-N 2 3 308.401 0.571 20 0 DCADHP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)C1 ZINC000662280524 546374759 /nfs/dbraw/zinc/37/47/59/546374759.db2.gz DNZIPXGQOMRYDB-PMPSAXMXSA-N 2 3 309.454 0.726 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)C1 ZINC000662283687 546375982 /nfs/dbraw/zinc/37/59/82/546375982.db2.gz JNBZBIWIKMHUNN-FPCVCCKLSA-N 2 3 309.454 0.868 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)C1 ZINC000662283687 546375987 /nfs/dbraw/zinc/37/59/87/546375987.db2.gz JNBZBIWIKMHUNN-FPCVCCKLSA-N 2 3 309.454 0.868 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000904379993 663512118 /nfs/dbraw/zinc/51/21/18/663512118.db2.gz YWKFPDNPBXNATL-KRWDZBQOSA-N 2 3 310.486 0.956 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N3CC4(C[NH2+]C4)C3)CC2)CC1 ZINC001578524758 1165042266 /nfs/dbraw/zinc/04/22/66/1165042266.db2.gz ILZTZIDPMMKNAW-UHFFFAOYSA-N 2 3 321.469 0.160 20 0 DCADHP O[C@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCNC1 ZINC001580878475 1165750511 /nfs/dbraw/zinc/75/05/11/1165750511.db2.gz PNXXRNDXHOGTEH-QGZVFWFLSA-N 2 3 311.470 0.678 20 0 DCADHP CN1CC[NH+](C2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC001119618786 766749427 /nfs/dbraw/zinc/74/94/27/766749427.db2.gz RSAWLCVVLYSRMR-MRXNPFEDSA-N 2 3 308.470 0.077 20 0 DCADHP N[C@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218937284 774332555 /nfs/dbraw/zinc/33/25/55/774332555.db2.gz QBBCSQQNCBTIDP-INIZCTEOSA-N 2 3 302.422 0.640 20 0 DCADHP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219703194 774585451 /nfs/dbraw/zinc/58/54/51/774585451.db2.gz DLKKLDBZQZFRHO-SJLPKXTDSA-N 2 3 314.433 0.148 20 0 DCADHP COCCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001220200239 774731897 /nfs/dbraw/zinc/73/18/97/774731897.db2.gz DZLSDXPMNPSPGA-AWEZNQCLSA-N 2 3 300.447 0.060 20 0 DCADHP N[C@@H](CSCC[NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743845 774906212 /nfs/dbraw/zinc/90/62/12/774906212.db2.gz SFPHVZHQZKXUQO-AWEZNQCLSA-N 2 3 323.466 0.186 20 0 DCADHP CC(C)CN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187662 775020335 /nfs/dbraw/zinc/02/03/35/775020335.db2.gz DTPUDBNFUHFELR-IHRRRGAJSA-N 2 3 316.515 0.760 20 0 DCADHP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221365691 775077699 /nfs/dbraw/zinc/07/76/99/775077699.db2.gz HFTYLFBTAOOLKC-NWANDNLSSA-N 2 3 312.433 0.267 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@@H]1CNCCC2 ZINC001222125811 775281434 /nfs/dbraw/zinc/28/14/34/775281434.db2.gz XDEZPNHIIRXPQF-XGYYKPKNSA-N 2 3 307.438 0.317 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@@H]1CNCCC2 ZINC001222125811 775281440 /nfs/dbraw/zinc/28/14/40/775281440.db2.gz XDEZPNHIIRXPQF-XGYYKPKNSA-N 2 3 307.438 0.317 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245980498 945305194 /nfs/dbraw/zinc/30/51/94/945305194.db2.gz BJLRNMJDCGMXTJ-UYTYNIKBSA-N 2 3 319.449 0.131 20 0 DCADHP COc1ccc(C2([NH2+]CC3(O)CC[NH2+]CC3)CCNCC2)cc1 ZINC001245994700 945310642 /nfs/dbraw/zinc/31/06/42/945310642.db2.gz DHNCDBSHZOLLRA-UHFFFAOYSA-N 2 3 319.449 0.978 20 0 DCADHP c1cncc(C2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246424205 945410277 /nfs/dbraw/zinc/41/02/77/945410277.db2.gz PURWOBYBXNIMNM-HNNXBMFYSA-N 2 3 302.422 0.771 20 0 DCADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246594695 945439040 /nfs/dbraw/zinc/43/90/40/945439040.db2.gz KUZJMDWCYWEQCW-DAYGRLMNSA-N 2 3 321.465 0.993 20 0 DCADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246594695 945439049 /nfs/dbraw/zinc/43/90/49/945439049.db2.gz KUZJMDWCYWEQCW-DAYGRLMNSA-N 2 3 321.465 0.993 20 0 DCADHP CCOCCC[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000423202406 416476866 /nfs/dbraw/zinc/47/68/66/416476866.db2.gz KNJQWMSRNLYPBO-SJORKVTESA-N 2 3 312.502 0.618 20 0 DCADHP CCOCCC[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000423202406 416476871 /nfs/dbraw/zinc/47/68/71/416476871.db2.gz KNJQWMSRNLYPBO-SJORKVTESA-N 2 3 312.502 0.618 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000518942791 416881725 /nfs/dbraw/zinc/88/17/25/416881725.db2.gz VUEQCQYOSIATQS-OAHLLOKOSA-N 2 3 313.490 0.653 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671608 262285964 /nfs/dbraw/zinc/28/59/64/262285964.db2.gz MOKKHEPCOPEXNG-WCVJEAGWSA-N 2 3 323.485 0.262 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671608 262285965 /nfs/dbraw/zinc/28/59/65/262285965.db2.gz MOKKHEPCOPEXNG-WCVJEAGWSA-N 2 3 323.485 0.262 20 0 DCADHP CSCC[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143656 668566604 /nfs/dbraw/zinc/56/66/04/668566604.db2.gz UQTUMAWMYUTTQJ-MCIONIFRSA-N 2 3 316.515 0.265 20 0 DCADHP C[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001578525140 1165041982 /nfs/dbraw/zinc/04/19/82/1165041982.db2.gz RXYIPEDCRCHPMD-HOTGVXAUSA-N 2 3 322.497 0.908 20 0 DCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157414330 771604288 /nfs/dbraw/zinc/60/42/88/771604288.db2.gz ZVNMLBWWKNVGJJ-INIZCTEOSA-N 2 3 317.437 0.798 20 0 DCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050356 772159504 /nfs/dbraw/zinc/15/95/04/772159504.db2.gz MDSCSGPBKONLIG-CABCVRRESA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161050356 772159506 /nfs/dbraw/zinc/15/95/06/772159506.db2.gz MDSCSGPBKONLIG-CABCVRRESA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050356 772159508 /nfs/dbraw/zinc/15/95/08/772159508.db2.gz MDSCSGPBKONLIG-CABCVRRESA-N 2 3 308.470 0.802 20 0 DCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161050356 772159511 /nfs/dbraw/zinc/15/95/11/772159511.db2.gz MDSCSGPBKONLIG-CABCVRRESA-N 2 3 308.470 0.802 20 0 DCADHP CN(CCN(C)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)Cc1ccccc1 ZINC001161161302 772178791 /nfs/dbraw/zinc/17/87/91/772178791.db2.gz QUKDPFUFSWTAKE-KRWDZBQOSA-N 2 3 318.465 0.904 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386639 772215879 /nfs/dbraw/zinc/21/58/79/772215879.db2.gz KZGUPTUJOFPHJX-AWEZNQCLSA-N 2 3 323.416 0.762 20 0 DCADHP CN(C)CCN(C(=O)C1CCC(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444888 772224650 /nfs/dbraw/zinc/22/46/50/772224650.db2.gz LRPNBSBJUFAPMF-UYSNPLJNSA-N 2 3 310.486 0.894 20 0 DCADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725009 774289416 /nfs/dbraw/zinc/28/94/16/774289416.db2.gz MKOPCKNDZUILPS-ZDUSSCGKSA-N 2 3 306.414 0.014 20 0 DCADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219610771 774555674 /nfs/dbraw/zinc/55/56/74/774555674.db2.gz RNKYPNCBPFGTPV-GXFFZTMASA-N 2 3 320.359 0.271 20 0 DCADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219610771 774555679 /nfs/dbraw/zinc/55/56/79/774555679.db2.gz RNKYPNCBPFGTPV-GXFFZTMASA-N 2 3 320.359 0.271 20 0 DCADHP CCOC(=O)C[C@@H]([NH2+]C[C@@]1(O)CCCNC1)C1CC[NH2+]CC1 ZINC001246003227 945311882 /nfs/dbraw/zinc/31/18/82/945311882.db2.gz QGOHCXJJRQVATE-GDBMZVCRSA-N 2 3 313.442 0.012 20 0 DCADHP CCOC(=O)C[C@@H](NC[C@@]1(O)CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001246003227 945311890 /nfs/dbraw/zinc/31/18/90/945311890.db2.gz QGOHCXJJRQVATE-GDBMZVCRSA-N 2 3 313.442 0.012 20 0 DCADHP [NH3+]C[C@]1(O)CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246024419 945320664 /nfs/dbraw/zinc/32/06/64/945320664.db2.gz VQJUQSAEJLLNMD-BBWFWOEESA-N 2 3 307.438 0.093 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024419 945320676 /nfs/dbraw/zinc/32/06/76/945320676.db2.gz VQJUQSAEJLLNMD-BBWFWOEESA-N 2 3 307.438 0.093 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024419 945320685 /nfs/dbraw/zinc/32/06/85/945320685.db2.gz VQJUQSAEJLLNMD-BBWFWOEESA-N 2 3 307.438 0.093 20 0 DCADHP C[NH+](C)CCN1CC[C@]2(CCCN2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001273145050 945325916 /nfs/dbraw/zinc/32/59/16/945325916.db2.gz UMXLKPXAHONKFO-SJLPKXTDSA-N 2 3 322.497 0.957 20 0 DCADHP C[NH+](C)CCN1CC[C@]2(CCCN2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001273145050 945325926 /nfs/dbraw/zinc/32/59/26/945325926.db2.gz UMXLKPXAHONKFO-SJLPKXTDSA-N 2 3 322.497 0.957 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@H]2C1 ZINC001551403098 1015035739 /nfs/dbraw/zinc/03/57/39/1015035739.db2.gz QBRGBZNLNGWNHC-QBPKDAKJSA-N 2 3 322.497 0.846 20 0 DCADHP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@H]2C1 ZINC001551403098 1015035748 /nfs/dbraw/zinc/03/57/48/1015035748.db2.gz QBRGBZNLNGWNHC-QBPKDAKJSA-N 2 3 322.497 0.846 20 0 DCADHP c1cc(N2CC[NH2+]CC2)cc(N[C@H](C2CC2)[C@H]2CNCCO2)[nH+]1 ZINC000635009690 417555162 /nfs/dbraw/zinc/55/51/62/417555162.db2.gz HRNYDQWVHYBQOY-NVXWUHKLSA-N 2 3 317.437 0.670 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000665289742 418192563 /nfs/dbraw/zinc/19/25/63/418192563.db2.gz WGYIJGIHIFKBIY-GOEBONIOSA-N 2 3 310.486 0.955 20 0 DCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)C1 ZINC000903763818 663480238 /nfs/dbraw/zinc/48/02/38/663480238.db2.gz NKCUKEPLQXPVBS-NCOADZHNSA-N 2 3 311.470 0.661 20 0 DCADHP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000747532129 667906425 /nfs/dbraw/zinc/90/64/25/667906425.db2.gz SPORTZFWDYIWCC-DLBZAZTESA-N 2 3 313.486 0.876 20 0 DCADHP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000747532129 667906428 /nfs/dbraw/zinc/90/64/28/667906428.db2.gz SPORTZFWDYIWCC-DLBZAZTESA-N 2 3 313.486 0.876 20 0 DCADHP CC[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925858091 668353866 /nfs/dbraw/zinc/35/38/66/668353866.db2.gz XOOYFICBVNOSKY-ILXRZTDVSA-N 2 3 309.454 0.992 20 0 DCADHP CC[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925858091 668353869 /nfs/dbraw/zinc/35/38/69/668353869.db2.gz XOOYFICBVNOSKY-ILXRZTDVSA-N 2 3 309.454 0.992 20 0 DCADHP COCC[N@H+](C[C@H](O)CN(C)C(C)C)CC1CC[NH+](C)CC1 ZINC000879127097 668987016 /nfs/dbraw/zinc/98/70/16/668987016.db2.gz QUWZOHYUXJGFCZ-QGZVFWFLSA-N 2 3 315.502 0.978 20 0 DCADHP COCC[N@@H+](C[C@H](O)CN(C)C(C)C)CC1CC[NH+](C)CC1 ZINC000879127097 668987021 /nfs/dbraw/zinc/98/70/21/668987021.db2.gz QUWZOHYUXJGFCZ-QGZVFWFLSA-N 2 3 315.502 0.978 20 0 DCADHP C[C@@H]([NH3+])CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001649926310 1173313192 /nfs/dbraw/zinc/31/31/92/1173313192.db2.gz OAQFBDCDYFPQCQ-CYBMUJFWSA-N 2 3 311.474 0.534 20 0 DCADHP CNCCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387023 770010048 /nfs/dbraw/zinc/01/00/48/770010048.db2.gz TWQVOHUGPRGWMI-UHFFFAOYSA-N 2 3 312.502 0.620 20 0 DCADHP CNCCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387023 770010061 /nfs/dbraw/zinc/01/00/61/770010061.db2.gz TWQVOHUGPRGWMI-UHFFFAOYSA-N 2 3 312.502 0.620 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158240713 771745195 /nfs/dbraw/zinc/74/51/95/771745195.db2.gz MNHFBQFBUIJDBS-GHMZBOCLSA-N 2 3 322.375 0.728 20 0 DCADHP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218997606 774345306 /nfs/dbraw/zinc/34/53/06/774345306.db2.gz VDIZYWBAFFSLMC-DZGCQCFKSA-N 2 3 300.406 0.511 20 0 DCADHP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220394305 774793458 /nfs/dbraw/zinc/79/34/58/774793458.db2.gz DNGBKZCPZLBOPO-CQSZACIVSA-N 2 3 306.454 0.463 20 0 DCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1(C)C ZINC001220510506 774830296 /nfs/dbraw/zinc/83/02/96/774830296.db2.gz GJVWMEUCVQPNTH-CYBMUJFWSA-N 2 3 308.470 0.563 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333335 775071457 /nfs/dbraw/zinc/07/14/57/775071457.db2.gz RVLFCIUFTNENKF-IRXDYDNUSA-N 2 3 318.465 0.958 20 0 DCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@H](C)C1 ZINC001221409423 775091234 /nfs/dbraw/zinc/09/12/34/775091234.db2.gz UEJKSIFDNZKVKQ-PNBKFKSVSA-N 2 3 308.470 0.421 20 0 DCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@H](C)C1 ZINC001221409423 775091239 /nfs/dbraw/zinc/09/12/39/775091239.db2.gz UEJKSIFDNZKVKQ-PNBKFKSVSA-N 2 3 308.470 0.421 20 0 DCADHP NC1=CC=C(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)NC1 ZINC001246495259 945419758 /nfs/dbraw/zinc/41/97/58/945419758.db2.gz NPPLDQWGABTJED-HNNXBMFYSA-N 2 3 303.454 0.122 20 0 DCADHP CC[C@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859981 945508239 /nfs/dbraw/zinc/50/82/39/945508239.db2.gz RFQMGBRAVNFNHK-HOIZKXCTSA-N 2 3 321.465 0.848 20 0 DCADHP CC[C@H]1C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246859981 945508243 /nfs/dbraw/zinc/50/82/43/945508243.db2.gz RFQMGBRAVNFNHK-HOIZKXCTSA-N 2 3 321.465 0.848 20 0 DCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418390747 287246881 /nfs/dbraw/zinc/24/68/81/287246881.db2.gz UZZQXVNOFNKPBH-HUUCEWRRSA-N 2 3 311.474 0.406 20 0 DCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418390747 287246882 /nfs/dbraw/zinc/24/68/82/287246882.db2.gz UZZQXVNOFNKPBH-HUUCEWRRSA-N 2 3 311.474 0.406 20 0 DCADHP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCCN1 ZINC000423171608 416473796 /nfs/dbraw/zinc/47/37/96/416473796.db2.gz PDXRWYHKWPDVME-SJORKVTESA-N 2 3 324.513 0.903 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000565255758 416960012 /nfs/dbraw/zinc/96/00/12/416960012.db2.gz RPWFLGGLHVIBOX-AWEZNQCLSA-N 2 3 309.458 0.206 20 0 DCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000565950640 417037353 /nfs/dbraw/zinc/03/73/53/417037353.db2.gz GUMXVQIILAYXEH-ZBFHGGJFSA-N 2 3 308.470 0.648 20 0 DCADHP CC[NH2+]CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000418320933 262274779 /nfs/dbraw/zinc/27/47/79/262274779.db2.gz XCYJFIRKSZQSEI-OAHLLOKOSA-N 2 3 313.490 0.653 20 0 DCADHP CC[NH2+]CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000418320933 262274780 /nfs/dbraw/zinc/27/47/80/262274780.db2.gz XCYJFIRKSZQSEI-OAHLLOKOSA-N 2 3 313.490 0.653 20 0 DCADHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC001772537306 1157547382 /nfs/dbraw/zinc/54/73/82/1157547382.db2.gz JDQPIZTZXTUHHM-CVEARBPZSA-N 2 3 309.454 0.600 20 0 DCADHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC001772537306 1157547385 /nfs/dbraw/zinc/54/73/85/1157547385.db2.gz JDQPIZTZXTUHHM-CVEARBPZSA-N 2 3 309.454 0.600 20 0 DCADHP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H]1COCCN1 ZINC001235963369 769963202 /nfs/dbraw/zinc/96/32/02/769963202.db2.gz UEWMUKCJPPBVJG-KRWDZBQOSA-N 2 3 314.518 0.960 20 0 DCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461756 772044079 /nfs/dbraw/zinc/04/40/79/772044079.db2.gz XANDREVVDRFMJW-CABCVRRESA-N 2 3 306.454 0.272 20 0 DCADHP COC(=O)c1c[nH]c2ncnc(NCCC[NH2+]CCCC[NH3+])c12 ZINC001162292256 772353842 /nfs/dbraw/zinc/35/38/42/772353842.db2.gz MFUXMHIRSSKDMC-UHFFFAOYSA-N 2 3 320.397 0.827 20 0 DCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027869 774350485 /nfs/dbraw/zinc/35/04/85/774350485.db2.gz FMHWNQGHPSGBDL-AWEZNQCLSA-N 2 3 306.410 0.824 20 0 DCADHP C[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220766540 774911220 /nfs/dbraw/zinc/91/12/20/774911220.db2.gz UOPTUIDZOUDDTJ-RYUDHWBXSA-N 2 3 304.504 0.523 20 0 DCADHP [NH3+][C@@H](C(=O)NCCc1c[nH]c2ccncc12)C1CC[NH2+]CC1 ZINC001220865732 774939397 /nfs/dbraw/zinc/93/93/97/774939397.db2.gz JBISQKGIJPMAIC-OAHLLOKOSA-N 2 3 301.394 0.549 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982272 774968928 /nfs/dbraw/zinc/96/89/28/774968928.db2.gz BFKJSTRIFVREJH-CQSZACIVSA-N 2 3 308.401 0.668 20 0 DCADHP CCOC(=O)[C@@H]1CC2(CN1CC13CC([NH3+])(C1)C3)CC[NH2+]CC2 ZINC001222215709 775304159 /nfs/dbraw/zinc/30/41/59/775304159.db2.gz JZKPZWUFAUJGDN-IGEOTXOUSA-N 2 3 307.438 0.875 20 0 DCADHP COc1cccc(C2(CNC[C@]3(O)CC[NH2+]C3)CC[NH2+]CC2)c1 ZINC001245999860 945308658 /nfs/dbraw/zinc/30/86/58/945308658.db2.gz XOBUBUXONGAXGX-SFHVURJKSA-N 2 3 319.449 0.630 20 0 DCADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246140635 945345728 /nfs/dbraw/zinc/34/57/28/945345728.db2.gz BBBCIPLYZVHURQ-ZOFXXKQRSA-N 2 3 309.454 0.644 20 0 DCADHP C(C1CCOCC1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246358635 945393156 /nfs/dbraw/zinc/39/31/56/945393156.db2.gz AFUGXJDWHARHCN-KRWDZBQOSA-N 2 3 322.497 0.561 20 0 DCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246418030 945407583 /nfs/dbraw/zinc/40/75/83/945407583.db2.gz QAOOSJLZQMEHPV-ULQDDVLXSA-N 2 3 318.465 0.922 20 0 DCADHP [NH3+]CCCC[NH2+]CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246454930 945412706 /nfs/dbraw/zinc/41/27/06/945412706.db2.gz AXWVVKSTRWONBO-UHFFFAOYSA-N 3 3 312.502 0.938 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC4(C[NH2+]C4)CC3)C[C@H](C1)N2 ZINC001246600751 945441438 /nfs/dbraw/zinc/44/14/38/945441438.db2.gz HTNPXVLRDIFCTA-HFDVOGEKSA-N 2 3 307.438 0.744 20 0 DCADHP COC(=O)C1C[C@@H]2CC(N3CCC(F)(C[NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246625792 945445053 /nfs/dbraw/zinc/44/50/53/945445053.db2.gz HJKDIILUZFZDND-AKJUYKBHSA-N 2 3 313.417 0.821 20 0 DCADHP [NH3+]C1CCN(C2CC[NH+]([C@H]3CCOC4(CNC4)C3)CC2)CC1 ZINC001246968800 945529859 /nfs/dbraw/zinc/52/98/59/945529859.db2.gz OGRBBKFOEYVODI-INIZCTEOSA-N 2 3 308.470 0.395 20 0 DCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000574385296 291691240 /nfs/dbraw/zinc/69/12/40/291691240.db2.gz WJMKQEZMMOISQM-CABCVRRESA-N 2 3 313.490 0.639 20 0 DCADHP COCC[N@@H+]1CC[C@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124203 417230758 /nfs/dbraw/zinc/23/07/58/417230758.db2.gz ALAMAGMDOGBAQX-HNNXBMFYSA-N 2 3 312.458 0.027 20 0 DCADHP COCC[N@H+]1CC[C@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124203 417230761 /nfs/dbraw/zinc/23/07/61/417230761.db2.gz ALAMAGMDOGBAQX-HNNXBMFYSA-N 2 3 312.458 0.027 20 0 DCADHP CC[N@@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925858092 668353600 /nfs/dbraw/zinc/35/36/00/668353600.db2.gz XOOYFICBVNOSKY-KFWWJZLASA-N 2 3 309.454 0.992 20 0 DCADHP CC[N@H+]1CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H](C)C1 ZINC000925858092 668353603 /nfs/dbraw/zinc/35/36/03/668353603.db2.gz XOOYFICBVNOSKY-KFWWJZLASA-N 2 3 309.454 0.992 20 0 DCADHP C[NH+](C)CCN1CCN(CC2(C)CC[NH+](C)CC2)CCC1=O ZINC001208109129 746908228 /nfs/dbraw/zinc/90/82/28/746908228.db2.gz LUPMUDHESVQBSK-UHFFFAOYSA-N 2 3 310.486 0.814 20 0 DCADHP [NH2+]=C(NCCCC[NH3+])Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167880418 748460059 /nfs/dbraw/zinc/46/00/59/748460059.db2.gz MIDSIGFBZPAWCQ-ZDUSSCGKSA-N 2 3 317.441 0.961 20 0 DCADHP C[NH+](C)CCCC[C@H](N)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160539469 772061060 /nfs/dbraw/zinc/06/10/60/772061060.db2.gz UQNAPYYXVVWWIB-QWHCGFSZSA-N 2 3 320.441 0.486 20 0 DCADHP CN(CCN(C)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)Cc1ccccc1 ZINC001161161303 772178906 /nfs/dbraw/zinc/17/89/06/772178906.db2.gz QUKDPFUFSWTAKE-QGZVFWFLSA-N 2 3 318.465 0.904 20 0 DCADHP N[C@H](CCC[NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271195 772194874 /nfs/dbraw/zinc/19/48/74/772194874.db2.gz XEIQGMSWXUAJFN-LSDHHAIUSA-N 2 3 305.426 0.228 20 0 DCADHP CN(C)CCN(C(=O)CC1([NH3+])CCOCC1)[C@H]1CCC[NH2+]C1 ZINC001161450006 772225507 /nfs/dbraw/zinc/22/55/07/772225507.db2.gz XRHZYWHSJKAXNM-AWEZNQCLSA-N 2 3 312.458 0.027 20 0 DCADHP O[C@@]1(CNCC2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246005384 945312894 /nfs/dbraw/zinc/31/28/94/945312894.db2.gz JPLFWORLZXNPDL-SFHVURJKSA-N 2 3 303.450 0.913 20 0 DCADHP [NH3+]CCCC[NH2+]CCCNC[C@@H](O)COCc1ccccc1 ZINC001246008772 945314357 /nfs/dbraw/zinc/31/43/57/945314357.db2.gz HFQIUJWOOVAQFV-QGZVFWFLSA-N 2 3 309.454 0.872 20 0 DCADHP [NH3+]C[C@@]1(O)CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246024425 945319615 /nfs/dbraw/zinc/31/96/15/945319615.db2.gz VQJUQSAEJLLNMD-GVDBMIGSSA-N 2 3 307.438 0.093 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024425 945319624 /nfs/dbraw/zinc/31/96/24/945319624.db2.gz VQJUQSAEJLLNMD-GVDBMIGSSA-N 2 3 307.438 0.093 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024425 945319632 /nfs/dbraw/zinc/31/96/32/945319632.db2.gz VQJUQSAEJLLNMD-GVDBMIGSSA-N 2 3 307.438 0.093 20 0 DCADHP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246234392 945366913 /nfs/dbraw/zinc/36/69/13/945366913.db2.gz CYCIOTQMZDCZIS-XLAORIBOSA-N 2 3 303.450 0.910 20 0 DCADHP CC[NH+](CC)CCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246527177 945426996 /nfs/dbraw/zinc/42/69/96/945426996.db2.gz DTLOVNSQEZUOGU-INIZCTEOSA-N 2 3 309.502 0.040 20 0 DCADHP O=C1CCC[C@]2(C[NH2+]CCN([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)N1 ZINC001246653058 945454954 /nfs/dbraw/zinc/45/49/54/945454954.db2.gz QKXKRYVANASPPW-CRAIPNDOSA-N 2 3 320.481 0.853 20 0 DCADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005785 945540815 /nfs/dbraw/zinc/54/08/15/945540815.db2.gz GNXUPTNVZMUITA-KBPBESRZSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005785 945540819 /nfs/dbraw/zinc/54/08/19/945540819.db2.gz GNXUPTNVZMUITA-KBPBESRZSA-N 2 3 309.454 0.992 20 0 DCADHP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCNC(C)(C)C2)CCC12C[NH2+]C2 ZINC001247005785 945540822 /nfs/dbraw/zinc/54/08/22/945540822.db2.gz GNXUPTNVZMUITA-KBPBESRZSA-N 2 3 309.454 0.992 20 0 DCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420335679 287291201 /nfs/dbraw/zinc/29/12/01/287291201.db2.gz LVUIEZVVRNZEAE-IRXDYDNUSA-N 2 3 303.450 0.993 20 0 DCADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000420335679 287291203 /nfs/dbraw/zinc/29/12/03/287291203.db2.gz LVUIEZVVRNZEAE-IRXDYDNUSA-N 2 3 303.450 0.993 20 0 DCADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884205606 667498662 /nfs/dbraw/zinc/49/86/62/667498662.db2.gz AVIFERKLCFSOPF-INIZCTEOSA-N 2 3 322.497 0.907 20 0 DCADHP CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCC[NH3+])CC2 ZINC001235489755 769857198 /nfs/dbraw/zinc/85/71/98/769857198.db2.gz SSRAIQJYWJOXRZ-UHFFFAOYSA-N 2 3 306.454 0.549 20 0 DCADHP CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCC[NH3+])CC2 ZINC001235489755 769857210 /nfs/dbraw/zinc/85/72/10/769857210.db2.gz SSRAIQJYWJOXRZ-UHFFFAOYSA-N 2 3 306.454 0.549 20 0 DCADHP [NH3+]C1CCN(c2cccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)CC1 ZINC001155483699 770519665 /nfs/dbraw/zinc/51/96/65/770519665.db2.gz RHFWPKDWMIUVIQ-BPLDGKMQSA-N 2 3 317.437 0.655 20 0 DCADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162599 771732520 /nfs/dbraw/zinc/73/25/20/771732520.db2.gz YPFFEYOZSRAPRO-YOEHRIQHSA-N 2 3 306.454 0.605 20 0 DCADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162599 771732526 /nfs/dbraw/zinc/73/25/26/771732526.db2.gz YPFFEYOZSRAPRO-YOEHRIQHSA-N 2 3 306.454 0.605 20 0 DCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175277 772180988 /nfs/dbraw/zinc/18/09/88/772180988.db2.gz KDZPRBUGEZJFTL-OWCLPIDISA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]2C1 ZINC001161175277 772180989 /nfs/dbraw/zinc/18/09/89/772180989.db2.gz KDZPRBUGEZJFTL-OWCLPIDISA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175277 772180990 /nfs/dbraw/zinc/18/09/90/772180990.db2.gz KDZPRBUGEZJFTL-OWCLPIDISA-N 2 3 320.481 0.661 20 0 DCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]2C1 ZINC001161175277 772180991 /nfs/dbraw/zinc/18/09/91/772180991.db2.gz KDZPRBUGEZJFTL-OWCLPIDISA-N 2 3 320.481 0.661 20 0 DCADHP CC[C@]1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161444291 772224362 /nfs/dbraw/zinc/22/43/62/772224362.db2.gz FZFFBNSDNDMEOT-RDJZCZTQSA-N 2 3 310.486 0.908 20 0 DCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219536883 774527863 /nfs/dbraw/zinc/52/78/63/774527863.db2.gz GETPESVIHOLSMO-MJVIPROJSA-N 2 3 304.394 0.529 20 0 DCADHP O[C@@]1(CNCC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245992166 945307796 /nfs/dbraw/zinc/30/77/96/945307796.db2.gz YFXMDUKGGRKLHE-KRWDZBQOSA-N 2 3 307.413 0.761 20 0 DCADHP C[C@@H]1C[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201554 945361441 /nfs/dbraw/zinc/36/14/41/945361441.db2.gz IBICQBOKMOEPGE-HZPDHXFCSA-N 2 3 317.474 0.505 20 0 DCADHP c1cn(CC[N@@H+]2CCC3(CN(CC4CC[NH2+]CC4)C3)C2)cn1 ZINC001276713827 944271411 /nfs/dbraw/zinc/27/14/11/944271411.db2.gz NBAVPQYDTNYRLT-UHFFFAOYSA-N 2 3 303.454 0.890 20 0 DCADHP c1cn(CC[N@H+]2CCC3(CN(CC4CC[NH2+]CC4)C3)C2)cn1 ZINC001276713827 944271419 /nfs/dbraw/zinc/27/14/19/944271419.db2.gz NBAVPQYDTNYRLT-UHFFFAOYSA-N 2 3 303.454 0.890 20 0 DCADHP [NH3+]CCOCCOCCN[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246283257 945378465 /nfs/dbraw/zinc/37/84/65/945378465.db2.gz GRHYQQIVQSLNEL-QZTJIDSGSA-N 2 3 321.465 0.931 20 0 DCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246418021 945406873 /nfs/dbraw/zinc/40/68/73/945406873.db2.gz QAOOSJLZQMEHPV-BBWFWOEESA-N 2 3 318.465 0.922 20 0 DCADHP COC(=O)C1C[C@@H]2CC([NH2+][C@H](C(C)C)C3C[NH2+]C3)C[C@H](C1)N2 ZINC001246514435 945424669 /nfs/dbraw/zinc/42/46/69/945424669.db2.gz HQXNACVHLIPMHD-WDIUBAROSA-N 2 3 309.454 0.892 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246673583 945458999 /nfs/dbraw/zinc/45/89/99/945458999.db2.gz OYCUXBVQEKASQL-IXYRMGKJSA-N 2 3 307.438 0.457 20 0 DCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCN[C@H](C)C1)C2 ZINC001246673583 945459003 /nfs/dbraw/zinc/45/90/03/945459003.db2.gz OYCUXBVQEKASQL-IXYRMGKJSA-N 2 3 307.438 0.457 20 0 DCADHP CN(C)CCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273711728 948041757 /nfs/dbraw/zinc/04/17/57/948041757.db2.gz GQMYJRPVJUYOOZ-HNNXBMFYSA-N 2 3 310.486 0.718 20 0 DCADHP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001367673701 958332044 /nfs/dbraw/zinc/33/20/44/958332044.db2.gz HGHNZDHYRLZGTH-KGLIPLIRSA-N 2 3 312.458 0.433 20 0 DCADHP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001367673701 958332059 /nfs/dbraw/zinc/33/20/59/958332059.db2.gz HGHNZDHYRLZGTH-KGLIPLIRSA-N 2 3 312.458 0.433 20 0 DCADHP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000423171606 416472378 /nfs/dbraw/zinc/47/23/78/416472378.db2.gz PDXRWYHKWPDVME-IAGOWNOFSA-N 2 3 324.513 0.903 20 0 DCADHP c1cc2c(cc1CN1CC[C@H](N3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000652340949 417889375 /nfs/dbraw/zinc/88/93/75/417889375.db2.gz OVMSCASSZLPQNF-SFHVURJKSA-N 2 3 300.450 0.812 20 0 DCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000665289743 418191338 /nfs/dbraw/zinc/19/13/38/418191338.db2.gz WGYIJGIHIFKBIY-HOCLYGCPSA-N 2 3 310.486 0.955 20 0 DCADHP