smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514000 332348523 /nfs/dbraw/zinc/34/85/23/332348523.db2.gz ATLVUIXRODPQGU-ROUUACIJSA-N 2 0 304.478 4.389 20 30 DIEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513998 332348619 /nfs/dbraw/zinc/34/86/19/332348619.db2.gz ATLVUIXRODPQGU-QZTJIDSGSA-N 2 0 304.478 4.389 20 30 DIEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414309671 333937228 /nfs/dbraw/zinc/93/72/28/333937228.db2.gz VJIVCABEEGOSJT-LJQANCHMSA-N 2 0 300.490 4.026 20 30 DIEDRP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343031521 334596841 /nfs/dbraw/zinc/59/68/41/334596841.db2.gz BKKQFXIFXIGCCU-UHFFFAOYSA-N 2 0 313.489 4.092 20 30 DIEDRP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000301674150 336322579 /nfs/dbraw/zinc/32/25/79/336322579.db2.gz PDPZTXYDSWNMNF-UHFFFAOYSA-N 2 0 313.420 4.135 20 30 DIEDRP C=CCN1CCC([NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000177909174 337158820 /nfs/dbraw/zinc/15/88/20/337158820.db2.gz CFXIUCDJVUGCRP-CYBMUJFWSA-N 2 0 312.379 4.006 20 30 DIEDRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449089627 338592343 /nfs/dbraw/zinc/59/23/43/338592343.db2.gz KYKFOIISZNNJEP-UHFFFAOYSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650033 340370978 /nfs/dbraw/zinc/37/09/78/340370978.db2.gz WNRAZXWDGHUDAX-CVEARBPZSA-N 2 0 317.452 4.003 20 30 DIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181529623 520755307 /nfs/dbraw/zinc/75/53/07/520755307.db2.gz QSKVAYXHRSOISZ-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181529643 520756049 /nfs/dbraw/zinc/75/60/49/520756049.db2.gz QSKVAYXHRSOISZ-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000602515225 1038025803 /nfs/dbraw/zinc/02/58/03/1038025803.db2.gz OVEWKLDAMVNJDB-MSOLQXFVSA-N 2 0 313.489 4.090 20 30 DIEDRP C#CCCCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503770 1038480569 /nfs/dbraw/zinc/48/05/69/1038480569.db2.gz DTQOQEWAQTVEEE-NRFANRHFSA-N 2 0 312.501 4.024 20 30 DIEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000747867131 1041726215 /nfs/dbraw/zinc/72/62/15/1041726215.db2.gz OPIXPZZFPPMVQU-HXUWFJFHSA-N 2 0 304.522 4.366 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029601 1042696549 /nfs/dbraw/zinc/69/65/49/1042696549.db2.gz IPCBFTQXHIGDNE-HRCADAONSA-N 2 0 307.441 4.002 20 30 DIEDRP C=CCN1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924984252 1042781226 /nfs/dbraw/zinc/78/12/26/1042781226.db2.gz QGOSSARCLRSDDS-NSHDSACASA-N 2 0 318.408 4.068 20 30 DIEDRP C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602807 1043436448 /nfs/dbraw/zinc/43/64/48/1043436448.db2.gz XYMLOWHCNLSQLW-DYESRHJHSA-N 2 0 321.468 4.444 20 30 DIEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361058738 1044353839 /nfs/dbraw/zinc/35/38/39/1044353839.db2.gz QLCCFHDEDQNPNW-KRWDZBQOSA-N 2 0 322.456 4.008 20 30 DIEDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447535580 1045141325 /nfs/dbraw/zinc/14/13/25/1045141325.db2.gz HFSJVUIZIIBQIZ-FXAWDEMLSA-N 2 0 313.489 4.254 20 30 DIEDRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185715 1045232896 /nfs/dbraw/zinc/23/28/96/1045232896.db2.gz OOGPSMHBTARMMK-HZPDHXFCSA-N 2 0 307.441 4.032 20 30 DIEDRP CC(C)c1cccc(NC(=[NH2+])NCCCCCCC[NH+](C)C)c1 ZINC000303864790 1046999310 /nfs/dbraw/zinc/99/93/10/1046999310.db2.gz BFMUWEFTUSUZRC-UHFFFAOYSA-N 2 0 318.509 4.049 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](CCCC(C)(C)C#N)CC1)CC(C)C ZINC000539098519 1047736739 /nfs/dbraw/zinc/73/67/39/1047736739.db2.gz SCAVXEZWHSOSAO-UHFFFAOYSA-N 2 0 321.553 4.396 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001199295159 1048054809 /nfs/dbraw/zinc/05/48/09/1048054809.db2.gz FWFKGUJOOTUTCX-YLJYHZDGSA-N 2 0 300.490 4.361 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001200942362 1048166595 /nfs/dbraw/zinc/16/65/95/1048166595.db2.gz OULCICDDXKPJCX-NLWGTHIKSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC001201608810 1048329479 /nfs/dbraw/zinc/32/94/79/1048329479.db2.gz QEQPSMSYJXCTLW-SOAISFHBSA-N 2 0 304.522 4.364 20 30 DIEDRP CCCCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281401 1048617433 /nfs/dbraw/zinc/61/74/33/1048617433.db2.gz NGJCSUMZTAEWKH-GOSISDBHSA-N 2 0 303.494 4.343 20 30 DIEDRP C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775411917 1048786509 /nfs/dbraw/zinc/78/65/09/1048786509.db2.gz YKUCXJCTTVBGOF-IRXDYDNUSA-N 2 0 316.489 4.296 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001177669378 1048927154 /nfs/dbraw/zinc/92/71/54/1048927154.db2.gz XDFPOJJORRSVLI-MISYRCLQSA-N 2 0 304.522 4.366 20 30 DIEDRP C=CCC[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213508 /nfs/dbraw/zinc/21/35/08/1049213508.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 2 0 322.496 4.410 20 30 DIEDRP C=CC[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001181044593 1049432028 /nfs/dbraw/zinc/43/20/28/1049432028.db2.gz WBUATALCFSTUGY-HXUWFJFHSA-N 2 0 300.490 4.043 20 30 DIEDRP C=CCCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205733969 1049547527 /nfs/dbraw/zinc/54/75/27/1049547527.db2.gz AITVGZVCVXABNH-MRXNPFEDSA-N 2 0 302.453 4.209 20 30 DIEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209161181 1050040930 /nfs/dbraw/zinc/04/09/30/1050040930.db2.gz INTYTAKJLUFOSX-YTQUADARSA-N 2 0 318.530 4.247 20 30 DIEDRP C=CCCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209202707 1050043961 /nfs/dbraw/zinc/04/39/61/1050043961.db2.gz OADPLOYGPIJJCN-ACRUOGEOSA-N 2 0 312.501 4.453 20 30 DIEDRP CC1(C#N)CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000823747656 1050153597 /nfs/dbraw/zinc/15/35/97/1050153597.db2.gz HDSBCIUAZXQYTA-UHFFFAOYSA-N 2 0 317.521 4.093 20 30 DIEDRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1(C)C ZINC001171619554 1051179043 /nfs/dbraw/zinc/17/90/43/1051179043.db2.gz PCGYGNHVTADAQJ-UHFFFAOYSA-N 2 0 313.489 4.034 20 30 DIEDRP C[C@H](CCCC#N)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488993 1051417149 /nfs/dbraw/zinc/41/71/49/1051417149.db2.gz XUOPIXPEHWEUFR-BHIYHBOVSA-N 2 0 305.510 4.221 20 30 DIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(C)(C)CC[NH+](C)C)cc1 ZINC001169717693 1051681721 /nfs/dbraw/zinc/68/17/21/1051681721.db2.gz JNUQRMKCIYPEMG-LJQANCHMSA-N 2 0 315.505 4.152 20 30 DIEDRP CCCCCCCCC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001318491339 1053170734 /nfs/dbraw/zinc/17/07/34/1053170734.db2.gz QBGBGDXUVXTSCU-UHFFFAOYSA-N 2 0 314.433 4.265 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233386 1054687441 /nfs/dbraw/zinc/68/74/41/1054687441.db2.gz PMMMUQOAKYQSNE-QUCCMNQESA-N 2 0 302.506 4.143 20 30 DIEDRP C=CCCCCCC[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379833 1054711434 /nfs/dbraw/zinc/71/14/34/1054711434.db2.gz RKAHKTVSYFJKLA-RTWAWAEBSA-N 2 0 312.501 4.202 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429455 1054718140 /nfs/dbraw/zinc/71/81/40/1054718140.db2.gz YAGMCJOROIBSMN-HSALFYBXSA-N 2 0 302.506 4.001 20 30 DIEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001474595248 1054834820 /nfs/dbraw/zinc/83/48/20/1054834820.db2.gz IRZNJALJDPVOIS-NRSPTQNISA-N 2 0 314.517 4.446 20 30 DIEDRP CCCCCCCCOc1ccc(C[NH+]2CC(CC[NH3+])C2)cc1 ZINC001235918896 1054846734 /nfs/dbraw/zinc/84/67/34/1054846734.db2.gz OJLZCELEXVCLIX-UHFFFAOYSA-N 2 0 318.505 4.207 20 30 DIEDRP C[C@@H](c1ccccc1)[N@H+](CCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC001236144287 1054968355 /nfs/dbraw/zinc/96/83/55/1054968355.db2.gz NZTOQNKLKYWWLA-SFHVURJKSA-N 2 0 321.468 4.250 20 30 DIEDRP C[C@H](c1ccccc1)[N@H+](CCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC001236144285 1054969169 /nfs/dbraw/zinc/96/91/69/1054969169.db2.gz NZTOQNKLKYWWLA-GOSISDBHSA-N 2 0 321.468 4.250 20 30 DIEDRP C=CCCCCCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287965 1055050344 /nfs/dbraw/zinc/05/03/44/1055050344.db2.gz UTKUGFPZGDMMBD-UHFFFAOYSA-N 2 0 300.490 4.377 20 30 DIEDRP CCCCCCCCCC[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC001236583419 1055198944 /nfs/dbraw/zinc/19/89/44/1055198944.db2.gz WLGRCMYBIPFJPA-UHFFFAOYSA-N 3 0 323.569 4.015 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605849 1055203610 /nfs/dbraw/zinc/20/36/10/1055203610.db2.gz VSLHZOQQVJEEKF-FQEVSTJZSA-N 2 0 318.505 4.207 20 30 DIEDRP CCCCCCCCCCC[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236623403 1055207155 /nfs/dbraw/zinc/20/71/55/1055207155.db2.gz UDOBUSHKZCYIQG-FQEVSTJZSA-N 2 0 323.569 4.015 20 30 DIEDRP C=CCCCC[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001278269556 1055727749 /nfs/dbraw/zinc/72/77/49/1055727749.db2.gz LALCXPWQRYIUGM-UHFFFAOYSA-N 2 0 315.505 4.049 20 30 DIEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001620757244 1055927097 /nfs/dbraw/zinc/92/70/97/1055927097.db2.gz FDSKWZXNOAMILY-WMZOPIPTSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001620757242 1055927221 /nfs/dbraw/zinc/92/72/21/1055927221.db2.gz FDSKWZXNOAMILY-FUHWJXTLSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245899278 1058607389 /nfs/dbraw/zinc/60/73/89/1058607389.db2.gz DBXZILVFPZXPFX-FQEVSTJZSA-N 2 0 303.409 4.324 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+]C12CCC([NH3+])(CC1)CC2 ZINC001245989000 1058652405 /nfs/dbraw/zinc/65/24/05/1058652405.db2.gz SPDRTEKOARSTMW-HDYDNRTBSA-N 2 0 324.553 4.272 20 30 DIEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]CCCC[NH2+]C ZINC001245983349 1058653817 /nfs/dbraw/zinc/65/38/17/1058653817.db2.gz IIJTYHXIYLTXJN-LJQANCHMSA-N 2 0 314.558 4.248 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007636 1058656629 /nfs/dbraw/zinc/65/66/29/1058656629.db2.gz YEINHZZCNAWYKV-FUMNGEBKSA-N 2 0 324.553 4.141 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246090010 1058671164 /nfs/dbraw/zinc/67/11/64/1058671164.db2.gz UZHRFTVSJXKJDV-HOTGVXAUSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246115400 1058684366 /nfs/dbraw/zinc/68/43/66/1058684366.db2.gz SIECMUBVEJHZCM-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]CC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001246144659 1058696707 /nfs/dbraw/zinc/69/67/07/1058696707.db2.gz XXDCTBBBAMXEBF-RBUKOAKNSA-N 2 0 319.537 4.326 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246140247 1058697138 /nfs/dbraw/zinc/69/71/38/1058697138.db2.gz ZWGXEKYCVSVQHG-MOPGFXCFSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246149761 1058699151 /nfs/dbraw/zinc/69/91/51/1058699151.db2.gz UBRPMGHSNSBAIO-AQNXPRMDSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246149759 1058699574 /nfs/dbraw/zinc/69/95/74/1058699574.db2.gz UBRPMGHSNSBAIO-AABGKKOBSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246149858 1058699749 /nfs/dbraw/zinc/69/97/49/1058699749.db2.gz VFTOUAZSUVMBMK-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246146705 1058699931 /nfs/dbraw/zinc/69/99/31/1058699931.db2.gz HBMPTSFSXOCMBR-XUVXKRRUSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](CCC)N(C(N)=[NH2+])C1CC[NH2+]CC1 ZINC001246199400 1058741502 /nfs/dbraw/zinc/74/15/02/1058741502.db2.gz VVWGKQJECZTCNC-KRWDZBQOSA-N 2 0 324.557 4.243 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246244979 1058765435 /nfs/dbraw/zinc/76/54/35/1058765435.db2.gz DMSKCDPTPVTCEM-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246251617 1058770221 /nfs/dbraw/zinc/77/02/21/1058770221.db2.gz XNFWVNAFKALOPA-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246255368 1058774784 /nfs/dbraw/zinc/77/47/84/1058774784.db2.gz JECXXQQKJQREMY-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246255832 1058776984 /nfs/dbraw/zinc/77/69/84/1058776984.db2.gz MBLZWRQBEQSAOC-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246259235 1058781190 /nfs/dbraw/zinc/78/11/90/1058781190.db2.gz ZVZXKWZFDYEBNQ-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301583 1058810328 /nfs/dbraw/zinc/81/03/28/1058810328.db2.gz TVPUUHIUNYYATH-GUDVDZBRSA-N 2 0 313.489 4.012 20 30 DIEDRP CCCC[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302246 1058811459 /nfs/dbraw/zinc/81/14/59/1058811459.db2.gz XGUMRXVUFVODIJ-VAMGGRTRSA-N 2 0 313.489 4.156 20 30 DIEDRP CCCCCCCCN(CC[NH3+])[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309604 1058817454 /nfs/dbraw/zinc/81/74/54/1058817454.db2.gz VOZJJZSLSYQRLC-IBGZPJMESA-N 2 0 323.569 4.063 20 30 DIEDRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(C#N)c1 ZINC001246318292 1058830267 /nfs/dbraw/zinc/83/02/67/1058830267.db2.gz SPSPBDMUYKDHQS-RBUKOAKNSA-N 2 0 311.473 4.054 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001246340621 1058846191 /nfs/dbraw/zinc/84/61/91/1058846191.db2.gz LIZKJKOMRPDQLA-QXAKKESOSA-N 2 0 303.494 4.071 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001246372479 1058877780 /nfs/dbraw/zinc/87/77/80/1058877780.db2.gz RWZYSZFTAFKILK-SFHVURJKSA-N 2 0 317.521 4.085 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246416930 1058919319 /nfs/dbraw/zinc/91/93/19/1058919319.db2.gz VRWLSLCNLWFHDG-INIZCTEOSA-N 2 0 320.908 4.197 20 30 DIEDRP C=CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492665 1058970434 /nfs/dbraw/zinc/97/04/34/1058970434.db2.gz XLJDFKIGJVNRQK-BHDDXSALSA-N 2 0 320.480 4.257 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658753 1059055284 /nfs/dbraw/zinc/05/52/84/1059055284.db2.gz VVQXQAPLHGKCNX-JYJNAYRXSA-N 2 0 320.443 4.209 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796292 1059103030 /nfs/dbraw/zinc/10/30/30/1059103030.db2.gz PSIJNSFYAXRXAR-VQTJNVASSA-N 2 0 300.490 4.376 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246969818 1059210187 /nfs/dbraw/zinc/21/01/87/1059210187.db2.gz WFZJTGCUZACKFS-OALUTQOASA-N 2 0 323.569 4.013 20 30 DIEDRP C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462560173 1061262136 /nfs/dbraw/zinc/26/21/36/1061262136.db2.gz AHMLNQKCYJWOIP-QUCCMNQESA-N 2 0 314.517 4.479 20 30 DIEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001473916334 1061462994 /nfs/dbraw/zinc/46/29/94/1061462994.db2.gz VVNLICZEYZHRKP-FXAWDEMLSA-N 2 0 300.490 4.363 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252987707 1061780433 /nfs/dbraw/zinc/78/04/33/1061780433.db2.gz VYZDBMBBOJNZRC-IYWMVGAKSA-N 2 0 324.553 4.093 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253242568 1061840693 /nfs/dbraw/zinc/84/06/93/1061840693.db2.gz NGUGPJOARNQPNO-HXUWFJFHSA-N 2 0 324.553 4.070 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001253256948 1061860149 /nfs/dbraw/zinc/86/01/49/1061860149.db2.gz IJJPRMHRUSQCNF-VAMGGRTRSA-N 2 0 324.553 4.117 20 30 DIEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001253256947 1061861185 /nfs/dbraw/zinc/86/11/85/1061861185.db2.gz IJJPRMHRUSQCNF-UFYCRDLUSA-N 2 0 324.553 4.117 20 30 DIEDRP CC[C@H](CC#N)[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162056 1062348378 /nfs/dbraw/zinc/34/83/78/1062348378.db2.gz GCJYDVPBEBWLQI-KZNAEPCWSA-N 2 0 319.880 4.104 20 30 DIEDRP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC001256564062 1062891413 /nfs/dbraw/zinc/89/14/13/1062891413.db2.gz PSDBUOCNOXIBMU-LJQANCHMSA-N 2 0 313.489 4.108 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001461120722 1063271994 /nfs/dbraw/zinc/27/19/94/1063271994.db2.gz LZMVJWYKRLTWPI-GIVPXCGWSA-N 2 0 312.501 4.233 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CC[NH+](C4CCCC4)CC3)C[C@H](C1)C2 ZINC001257887741 1063424663 /nfs/dbraw/zinc/42/46/63/1063424663.db2.gz HVDZHJYNMSLPNZ-JJTKIYQPSA-N 2 0 302.506 4.118 20 30 DIEDRP C=C1C[C@@H]2CC([N@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890609 1063427687 /nfs/dbraw/zinc/42/76/87/1063427687.db2.gz ZVQPUJHDZGXLJM-DPSFSNCASA-N 2 0 304.522 4.349 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H]([NH+](CC)CC)CC3)C[C@H](C1)C2 ZINC001257889465 1063428593 /nfs/dbraw/zinc/42/85/93/1063428593.db2.gz AMDNOKHPCFIDBK-NELOAPHISA-N 2 0 304.522 4.364 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049319 1063480845 /nfs/dbraw/zinc/48/08/45/1063480845.db2.gz FCVLJTZYBMZILD-QUCCMNQESA-N 2 0 324.553 4.311 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001258229177 1063567534 /nfs/dbraw/zinc/56/75/34/1063567534.db2.gz NJWVPOATJGKRPW-SFHVURJKSA-N 2 0 324.553 4.216 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722633 1063776336 /nfs/dbraw/zinc/77/63/36/1063776336.db2.gz LKSXNFKSVNOAFZ-BHIYHBOVSA-N 2 0 316.489 4.122 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001258724047 1063778783 /nfs/dbraw/zinc/77/87/83/1063778783.db2.gz LVCPNUBVXAJBLJ-HNNXBMFYSA-N 2 0 306.881 4.031 20 30 DIEDRP C=CCC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001258731040 1063781904 /nfs/dbraw/zinc/78/19/04/1063781904.db2.gz UIEVAFWLUBPHKT-FIRPJDEBSA-N 2 0 312.501 4.452 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001258731042 1063781999 /nfs/dbraw/zinc/78/19/99/1063781999.db2.gz UIEVAFWLUBPHKT-SEVLPDGMSA-N 2 0 312.501 4.452 20 30 DIEDRP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308644884 1066135332 /nfs/dbraw/zinc/13/53/32/1066135332.db2.gz XDNNPBBXFIGANI-PZJWPPBQSA-N 2 0 312.501 4.070 20 30 DIEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414309669 333937233 /nfs/dbraw/zinc/93/72/33/333937233.db2.gz VJIVCABEEGOSJT-IBGZPJMESA-N 2 0 300.490 4.026 20 30 DIEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000439071961 338360199 /nfs/dbraw/zinc/36/01/99/338360199.db2.gz QZPOITQOLPOHET-OAQYLSRUSA-N 2 0 312.501 4.233 20 30 DIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181609326 519629650 /nfs/dbraw/zinc/62/96/50/519629650.db2.gz JSJMEGMGWUQIFI-QGZVFWFLSA-N 2 0 321.468 4.249 20 30 DIEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181419668 525520554 /nfs/dbraw/zinc/52/05/54/525520554.db2.gz NTJGCFADPUAAEV-QGZVFWFLSA-N 2 0 319.452 4.005 20 30 DIEDRP CCCCCCCC[C@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001252134418 1061590703 /nfs/dbraw/zinc/59/07/03/1061590703.db2.gz RDELHNQGKOUHQB-MOPGFXCFSA-N 2 0 314.558 4.198 20 30 DIEDRP C=CCCCC[NH+]1CCC(N(C)Cc2ccc(F)cc2)CC1 ZINC001209206983 1036058270 /nfs/dbraw/zinc/05/82/70/1036058270.db2.gz FTEORIRBBIDXOA-UHFFFAOYSA-N 2 0 304.453 4.078 20 30 DIEDRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624770 1037041981 /nfs/dbraw/zinc/04/19/81/1037041981.db2.gz JUIGJVKVJKFPKH-ZWKOTPCHSA-N 2 0 321.468 4.119 20 30 DIEDRP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624767 1037043072 /nfs/dbraw/zinc/04/30/72/1037043072.db2.gz JUIGJVKVJKFPKH-QZTJIDSGSA-N 2 0 321.468 4.119 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000602515228 1038024499 /nfs/dbraw/zinc/02/44/99/1038024499.db2.gz OVEWKLDAMVNJDB-QZTJIDSGSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000602513351 1038031220 /nfs/dbraw/zinc/03/12/20/1038031220.db2.gz CBYNGDKLLZSMFT-QZTJIDSGSA-N 2 0 313.489 4.090 20 30 DIEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492329137 1039951500 /nfs/dbraw/zinc/95/15/00/1039951500.db2.gz LILUBLLKBSNGKO-BJLQDIEVSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163366 1040337890 /nfs/dbraw/zinc/33/78/90/1040337890.db2.gz IZLISOGNYCWOIV-SFHVURJKSA-N 2 0 315.505 4.018 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000811513103 1041535355 /nfs/dbraw/zinc/53/53/55/1041535355.db2.gz DLYLOZXKNCEIHL-INIZCTEOSA-N 2 0 300.556 4.152 20 30 DIEDRP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998015 1041747548 /nfs/dbraw/zinc/74/75/48/1041747548.db2.gz UJXJUUJYMDHMGL-KNQAVFIVSA-N 2 0 320.480 4.200 20 30 DIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000817979968 1042136083 /nfs/dbraw/zinc/13/60/83/1042136083.db2.gz GUBGXKQURMPEMY-NVXWUHKLSA-N 2 0 322.880 4.001 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107994 1042249259 /nfs/dbraw/zinc/24/92/59/1042249259.db2.gz BQPDLBHUMVHHIP-GJZGRUSLSA-N 2 0 308.432 4.257 20 30 DIEDRP C=CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423005321 1042695436 /nfs/dbraw/zinc/69/54/36/1042695436.db2.gz RKYNZEZERKYTPD-BBRMVZONSA-N 2 0 314.395 4.430 20 30 DIEDRP C=CCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423005322 1042695564 /nfs/dbraw/zinc/69/55/64/1042695564.db2.gz RKYNZEZERKYTPD-CJNGLKHVSA-N 2 0 314.395 4.430 20 30 DIEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173838235 1043054215 /nfs/dbraw/zinc/05/42/15/1043054215.db2.gz DAWKZRHHOBDSLD-QGZVFWFLSA-N 2 0 319.452 4.005 20 30 DIEDRP C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602810 1043435704 /nfs/dbraw/zinc/43/57/04/1043435704.db2.gz XYMLOWHCNLSQLW-UWJYYQICSA-N 2 0 321.468 4.444 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001258041098 1045124597 /nfs/dbraw/zinc/12/45/97/1045124597.db2.gz MAVILIPIVSGIED-KRWDZBQOSA-N 2 0 313.574 4.211 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787427 1045198701 /nfs/dbraw/zinc/19/87/01/1045198701.db2.gz XEPXQVBVYYUFEC-CVEARBPZSA-N 2 0 307.441 4.032 20 30 DIEDRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787429 1045198880 /nfs/dbraw/zinc/19/88/80/1045198880.db2.gz XEPXQVBVYYUFEC-HZPDHXFCSA-N 2 0 307.441 4.032 20 30 DIEDRP C=CCC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034220 1045199880 /nfs/dbraw/zinc/19/98/80/1045199880.db2.gz WPFDWDKDJDGTLR-UXHICEINSA-N 2 0 324.468 4.399 20 30 DIEDRP C=CCC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034219 1045200578 /nfs/dbraw/zinc/20/05/78/1045200578.db2.gz WPFDWDKDJDGTLR-PMACEKPBSA-N 2 0 324.468 4.399 20 30 DIEDRP CC(C)(CCC#N)C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902384364 1045988068 /nfs/dbraw/zinc/98/80/68/1045988068.db2.gz JWNFTXPHDNMKCX-KRWDZBQOSA-N 2 0 323.431 4.054 20 30 DIEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936184 1046990211 /nfs/dbraw/zinc/99/02/11/1046990211.db2.gz ZDGBHPXZHOPOOZ-NSHGMRRFSA-N 2 0 300.490 4.089 20 30 DIEDRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645509 1047089418 /nfs/dbraw/zinc/08/94/18/1047089418.db2.gz HVWKUCLUFCTNBC-ZWKOTPCHSA-N 2 0 321.468 4.119 20 30 DIEDRP C=CCCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147689 1047661188 /nfs/dbraw/zinc/66/11/88/1047661188.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 2 0 300.490 4.185 20 30 DIEDRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000776155881 1048236930 /nfs/dbraw/zinc/23/69/30/1048236930.db2.gz JQYQNUMZZSLVJS-SFHVURJKSA-N 2 0 313.489 4.255 20 30 DIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000776162119 1048248172 /nfs/dbraw/zinc/24/81/72/1048248172.db2.gz BIRSMEXHYYWCDP-PBPGXSGUSA-N 2 0 311.473 4.006 20 30 DIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000776163503 1048251614 /nfs/dbraw/zinc/25/16/14/1048251614.db2.gz SRZUOZJAKHVOHA-DZIBYMRMSA-N 2 0 311.473 4.006 20 30 DIEDRP C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775411920 1048785413 /nfs/dbraw/zinc/78/54/13/1048785413.db2.gz YKUCXJCTTVBGOF-SJORKVTESA-N 2 0 316.489 4.296 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001177132250 1048834150 /nfs/dbraw/zinc/83/41/50/1048834150.db2.gz DGTCQWAPROIURC-XLIONFOSSA-N 2 0 300.490 4.363 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001177132251 1048835397 /nfs/dbraw/zinc/83/53/97/1048835397.db2.gz DGTCQWAPROIURC-YLJYHZDGSA-N 2 0 300.490 4.363 20 30 DIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483959054 1048885443 /nfs/dbraw/zinc/88/54/43/1048885443.db2.gz QOORKCKKOZFMEC-HXUWFJFHSA-N 2 0 324.512 4.015 20 30 DIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000192947163 1049429363 /nfs/dbraw/zinc/42/93/63/1049429363.db2.gz ZNEFQAZFOYRKJP-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP C=C(C)CN(C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293443 1049638464 /nfs/dbraw/zinc/63/84/64/1049638464.db2.gz LOMYGXXAMVZFTL-QFIPXVFZSA-N 2 0 322.496 4.410 20 30 DIEDRP C=CCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085065 1050688307 /nfs/dbraw/zinc/68/83/07/1050688307.db2.gz FYUVUROGZQNXMW-QGZVFWFLSA-N 2 0 306.519 4.167 20 30 DIEDRP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657323 1051357498 /nfs/dbraw/zinc/35/74/98/1051357498.db2.gz SBLKKHMKGCUZAE-SIKLNZKXSA-N 2 0 320.480 4.343 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172346753 1051366621 /nfs/dbraw/zinc/36/66/21/1051366621.db2.gz LXNSYTGTWUXOSK-SFHVURJKSA-N 2 0 312.542 4.216 20 30 DIEDRP C=CCOC1CCC([N@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318934 1051711838 /nfs/dbraw/zinc/71/18/38/1051711838.db2.gz QQTYMGXCWGJHIJ-CAAWEGIDSA-N 2 0 322.537 4.261 20 30 DIEDRP CCCCCCCCCCN1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363734 1053007195 /nfs/dbraw/zinc/00/71/95/1053007195.db2.gz VVQIOXLRINRMSM-HUUCEWRRSA-N 2 0 308.432 4.339 20 30 DIEDRP CCCCCCCCCCN1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363740 1053007241 /nfs/dbraw/zinc/00/72/41/1053007241.db2.gz VVQIOXLRINRMSM-LSDHHAIUSA-N 2 0 308.432 4.339 20 30 DIEDRP C=C(C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001200135440 1053408339 /nfs/dbraw/zinc/40/83/39/1053408339.db2.gz NQNPWUZXTOIASM-UHFFFAOYSA-N 2 0 322.496 4.448 20 30 DIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093844605 1053458197 /nfs/dbraw/zinc/45/81/97/1053458197.db2.gz HENJGCLPERBMGF-SFHVURJKSA-N 2 0 319.537 4.293 20 30 DIEDRP C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146404 1053972616 /nfs/dbraw/zinc/97/26/16/1053972616.db2.gz PRFDNKDKARDLCX-UHFFFAOYSA-N 2 0 312.432 4.076 20 30 DIEDRP C=CCCCCCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235085667 1054654815 /nfs/dbraw/zinc/65/48/15/1054654815.db2.gz CSGGYXGGXZXIIC-UHFFFAOYSA-N 2 0 312.501 4.260 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235151644 1054667186 /nfs/dbraw/zinc/66/71/86/1054667186.db2.gz IVNDLFZKYASMDP-UYAOXDASSA-N 2 0 302.506 4.143 20 30 DIEDRP CCCCCCC[N@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235663041 1054763236 /nfs/dbraw/zinc/76/32/36/1054763236.db2.gz PPMSAPOIZHZXMI-UHFFFAOYSA-N 2 0 313.489 4.147 20 30 DIEDRP CCCCCCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235751020 1054797629 /nfs/dbraw/zinc/79/76/29/1054797629.db2.gz URJKQZZAOFISMA-LJQANCHMSA-N 2 0 318.505 4.207 20 30 DIEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001474595249 1054835641 /nfs/dbraw/zinc/83/56/41/1054835641.db2.gz IRZNJALJDPVOIS-TYPHKJRUSA-N 2 0 314.517 4.446 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556124 1055183316 /nfs/dbraw/zinc/18/33/16/1055183316.db2.gz RGZSYYTTWLDPQA-MXVIHJGJSA-N 2 0 300.490 4.423 20 30 DIEDRP CCCCCCC[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561189 1055183957 /nfs/dbraw/zinc/18/39/57/1055183957.db2.gz OBFDJAVONYQJGR-WGSAOQKQSA-N 2 0 303.494 4.124 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000382018277 1055196915 /nfs/dbraw/zinc/19/69/15/1055196915.db2.gz WVHJTDDLYFSAER-QUCCMNQESA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000382018278 1055197682 /nfs/dbraw/zinc/19/76/82/1055197682.db2.gz WVHJTDDLYFSAER-UYAOXDASSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCCCC[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236727063 1055245381 /nfs/dbraw/zinc/24/53/81/1055245381.db2.gz QJSIVASNRVPODH-MXVIHJGJSA-N 2 0 300.490 4.423 20 30 DIEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256433 1057587340 /nfs/dbraw/zinc/58/73/40/1057587340.db2.gz PTBBFBRHNJAUDW-KRWDZBQOSA-N 2 0 321.468 4.203 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(C[NH3+])c1 ZINC001245979527 1058651993 /nfs/dbraw/zinc/65/19/93/1058651993.db2.gz BJRAYVXECCPKDJ-FQEVSTJZSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(C[NH3+])c1 ZINC001245979528 1058653028 /nfs/dbraw/zinc/65/30/28/1058653028.db2.gz BJRAYVXECCPKDJ-HXUWFJFHSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH3+] ZINC001246008195 1058655891 /nfs/dbraw/zinc/65/58/91/1058655891.db2.gz CRRZAASXMMIYRF-HXUWFJFHSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014326 1058657153 /nfs/dbraw/zinc/65/71/53/1058657153.db2.gz LFUVVZJEHARDTQ-OALUTQOASA-N 2 0 324.553 4.142 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133264 1058689415 /nfs/dbraw/zinc/68/94/15/1058689415.db2.gz PKVKOCBNXTZSHL-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246130338 1058690076 /nfs/dbraw/zinc/69/00/76/1058690076.db2.gz GABDQVOPWPDDJP-MOPGFXCFSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246140249 1058696915 /nfs/dbraw/zinc/69/69/15/1058696915.db2.gz ZWGXEKYCVSVQHG-OALUTQOASA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001246149680 1058698379 /nfs/dbraw/zinc/69/83/79/1058698379.db2.gz LFRLEGGSESWHJL-MTQWCTHYSA-N 2 0 324.553 4.118 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246150393 1058698567 /nfs/dbraw/zinc/69/85/67/1058698567.db2.gz VVQQTMAGYCLOMH-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246150400 1058699920 /nfs/dbraw/zinc/69/99/20/1058699920.db2.gz VVQQTMAGYCLOMH-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001246151674 1058700038 /nfs/dbraw/zinc/70/00/38/1058700038.db2.gz JPSSARADLUTCIA-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001246148583 1058700252 /nfs/dbraw/zinc/70/02/52/1058700252.db2.gz FZGADYQGVTZXJQ-LWYYNNOASA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246176634 1058718698 /nfs/dbraw/zinc/71/86/98/1058718698.db2.gz NDTCGSFPJUTVMS-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CC[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300423 1058813500 /nfs/dbraw/zinc/81/35/00/1058813500.db2.gz NUFOTBOOGCPGHP-FUMNGEBKSA-N 2 0 313.489 4.154 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CC1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC001246372935 1058878955 /nfs/dbraw/zinc/87/89/55/1058878955.db2.gz UVNMFHNUIABNFY-INIZCTEOSA-N 2 0 320.908 4.197 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001246372477 1058880324 /nfs/dbraw/zinc/88/03/24/1058880324.db2.gz RWZYSZFTAFKILK-GOSISDBHSA-N 2 0 317.521 4.085 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246391352 1058897360 /nfs/dbraw/zinc/89/73/60/1058897360.db2.gz LTDPRYHRNFTJLQ-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3(CC4CCC4)CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246449859 1058937528 /nfs/dbraw/zinc/93/75/28/1058937528.db2.gz YPWDJNDCJIXFTF-DFNIBXOVSA-N 2 0 302.506 4.023 20 30 DIEDRP CCCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542854 1058993131 /nfs/dbraw/zinc/99/31/31/1058993131.db2.gz LSYJESMSZPNIGY-OALUTQOASA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553693 1058996901 /nfs/dbraw/zinc/99/69/01/1058996901.db2.gz BVCSBEBJBDGPKQ-HZPDHXFCSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCCCCC[C@@H](CC)[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246837213 1059114997 /nfs/dbraw/zinc/11/49/97/1059114997.db2.gz RKBJAJVUQRFIIF-GOSISDBHSA-N 2 0 312.542 4.216 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955642 1059199838 /nfs/dbraw/zinc/19/98/38/1059199838.db2.gz MPWSOKHZXBFALV-MRXNPFEDSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246966199 1059212329 /nfs/dbraw/zinc/21/23/29/1059212329.db2.gz IMLRQUUXVUNRCJ-MOPGFXCFSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473760172 1061395957 /nfs/dbraw/zinc/39/59/57/1061395957.db2.gz YBILSIZQRHKSNS-GOSISDBHSA-N 2 0 303.494 4.343 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253250534 1061855158 /nfs/dbraw/zinc/85/51/58/1061855158.db2.gz BKTRFWSAWNIQED-GOSISDBHSA-N 2 0 324.553 4.115 20 30 DIEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001253256949 1061860554 /nfs/dbraw/zinc/86/05/54/1061860554.db2.gz IJJPRMHRUSQCNF-ZCNNSNEGSA-N 2 0 324.553 4.117 20 30 DIEDRP CCCC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321712 1062399317 /nfs/dbraw/zinc/39/93/17/1062399317.db2.gz WDVTWSULXKXGLA-VDGAXYAQSA-N 2 0 313.489 4.209 20 30 DIEDRP N#CC1CCC([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256960074 1063061463 /nfs/dbraw/zinc/06/14/63/1063061463.db2.gz GNSFUODBDMXZSW-YAEFEIELSA-N 2 0 317.521 4.221 20 30 DIEDRP C=C1C[C@@H]2CC([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890571 1063427932 /nfs/dbraw/zinc/42/79/32/1063427932.db2.gz QAICSQYMLNQBEH-LETQBHDNSA-N 2 0 302.506 4.246 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723569 1063777510 /nfs/dbraw/zinc/77/75/10/1063777510.db2.gz YPELEJRYBDCKTI-SZMVWBNQSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001258728073 1063781809 /nfs/dbraw/zinc/78/18/09/1063781809.db2.gz MAHUWDKPZSTKEH-PKOBYXMFSA-N 2 0 316.489 4.311 20 30 DIEDRP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)cc1 ZINC001279145604 1064334443 /nfs/dbraw/zinc/33/44/43/1064334443.db2.gz QLOYHSOHXVWIJP-LEWJYISDSA-N 2 0 323.484 4.025 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308488688 1066022663 /nfs/dbraw/zinc/02/26/63/1066022663.db2.gz PTEGLQHGXRMVBM-UKAVVXHISA-N 2 0 312.501 4.089 20 30 DIEDRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000532466290 336249209 /nfs/dbraw/zinc/24/92/09/336249209.db2.gz FHJHCOOEZWWRRX-CSODHUTKSA-N 2 0 319.452 4.044 20 30 DIEDRP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000532466296 336249275 /nfs/dbraw/zinc/24/92/75/336249275.db2.gz FHJHCOOEZWWRRX-XGHQBKJUSA-N 2 0 319.452 4.044 20 30 DIEDRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423524357 337724544 /nfs/dbraw/zinc/72/45/44/337724544.db2.gz WYJPTRVMLMJQAF-PMACEKPBSA-N 2 0 307.441 4.079 20 30 DIEDRP CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447509402 338553147 /nfs/dbraw/zinc/55/31/47/338553147.db2.gz MPFQHRMJSVQYEG-LPHOPBHVSA-N 2 0 301.478 4.109 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000602513356 1038031110 /nfs/dbraw/zinc/03/11/10/1038031110.db2.gz CBYNGDKLLZSMFT-ZWKOTPCHSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000602531302 1038036237 /nfs/dbraw/zinc/03/62/37/1038036237.db2.gz HIUDOBXCBSTBDF-SFHVURJKSA-N 2 0 313.489 4.092 20 30 DIEDRP C=CCN1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414110186 1040875480 /nfs/dbraw/zinc/87/54/80/1040875480.db2.gz HXKGSRYVLJGTAR-LPHOPBHVSA-N 2 0 318.892 4.216 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000811513105 1041534374 /nfs/dbraw/zinc/53/43/74/1041534374.db2.gz DLYLOZXKNCEIHL-MRXNPFEDSA-N 2 0 300.556 4.152 20 30 DIEDRP CCC1([NH+]2CCCCC2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931686138 1044060736 /nfs/dbraw/zinc/06/07/36/1044060736.db2.gz KARBSYZSBWTHDV-UHFFFAOYSA-N 2 0 317.521 4.047 20 30 DIEDRP C=CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886528446 1044655383 /nfs/dbraw/zinc/65/53/83/1044655383.db2.gz MJHRZERVHFRQJV-IOJLRTSASA-N 2 0 313.489 4.086 20 30 DIEDRP CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447538271 1045143175 /nfs/dbraw/zinc/14/31/75/1045143175.db2.gz AVCISYHUBFNYIE-FQEVSTJZSA-N 2 0 313.489 4.255 20 30 DIEDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447541648 1045143652 /nfs/dbraw/zinc/14/36/52/1045143652.db2.gz NCMAFRXHSXSAHM-PXNSSMCTSA-N 2 0 313.489 4.111 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826815393 1046462043 /nfs/dbraw/zinc/46/20/43/1046462043.db2.gz JZTDKGXTPZKVBS-GOSISDBHSA-N 2 0 324.553 4.216 20 30 DIEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344786 1046986917 /nfs/dbraw/zinc/98/69/17/1046986917.db2.gz ZGUSTQVNQPTFFQ-AABGKKOBSA-N 2 0 300.490 4.056 20 30 DIEDRP C=CCCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147680 1047660492 /nfs/dbraw/zinc/66/04/92/1047660492.db2.gz MXSDJOQBIRBWBS-AZUAARDMSA-N 2 0 300.490 4.185 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000538394290 1047674245 /nfs/dbraw/zinc/67/42/45/1047674245.db2.gz VFXAHIVUCZYUTN-FFZOFVMBSA-N 2 0 313.489 4.109 20 30 DIEDRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000776155880 1048236252 /nfs/dbraw/zinc/23/62/52/1048236252.db2.gz JQYQNUMZZSLVJS-GOSISDBHSA-N 2 0 313.489 4.255 20 30 DIEDRP C=CCCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205733968 1049546339 /nfs/dbraw/zinc/54/63/39/1049546339.db2.gz AITVGZVCVXABNH-INIZCTEOSA-N 2 0 302.453 4.209 20 30 DIEDRP C[NH+]1CCC(CC[N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001207485796 1049897569 /nfs/dbraw/zinc/89/75/69/1049897569.db2.gz YPJPVRGYTIYXHN-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP C=C(C)[C@@H]1CC=C(CN2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001208178193 1049982615 /nfs/dbraw/zinc/98/26/15/1049982615.db2.gz MZLDHWORRBHDKF-GOSISDBHSA-N 2 0 320.496 4.187 20 30 DIEDRP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657324 1051356249 /nfs/dbraw/zinc/35/62/49/1051356249.db2.gz SBLKKHMKGCUZAE-UGKGYDQZSA-N 2 0 320.480 4.343 20 30 DIEDRP CC[NH+](CC)C1CCC([N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001173108538 1051610346 /nfs/dbraw/zinc/61/03/46/1051610346.db2.gz MKHNAVOBKVCGSN-UHFFFAOYSA-N 2 0 313.489 4.055 20 30 DIEDRP C=CCOC1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317951 1051711521 /nfs/dbraw/zinc/71/15/21/1051711521.db2.gz RLNZSLSPMYBSNA-CAAWEGIDSA-N 2 0 320.521 4.015 20 30 DIEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495421923 1052343188 /nfs/dbraw/zinc/34/31/88/1052343188.db2.gz WNEIFARQINTUSU-IHPCNDPISA-N 2 0 300.490 4.231 20 30 DIEDRP CCCCCCCCCCN1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363717 1053007116 /nfs/dbraw/zinc/00/71/16/1053007116.db2.gz VVQIOXLRINRMSM-CABCVRRESA-N 2 0 308.432 4.339 20 30 DIEDRP C=CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235088676 1054653657 /nfs/dbraw/zinc/65/36/57/1054653657.db2.gz NVKGLKIDAFSXGO-QGZVFWFLSA-N 2 0 314.464 4.224 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516746 1055156119 /nfs/dbraw/zinc/15/61/19/1055156119.db2.gz IALPNMFKCXMBCT-UHFFFAOYSA-N 2 0 304.453 4.044 20 30 DIEDRP C#Cc1ccc(C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236566687 1055188015 /nfs/dbraw/zinc/18/80/15/1055188015.db2.gz AWBFKJWZCJRLLH-XUTJKUGGSA-N 2 0 310.485 4.073 20 30 DIEDRP C=CCCCCCC[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236671174 1055222159 /nfs/dbraw/zinc/22/21/59/1055222159.db2.gz DREFHCBMWOLZRR-KESTWPANSA-N 2 0 315.505 4.290 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713416 1055235508 /nfs/dbraw/zinc/23/55/08/1055235508.db2.gz BZPOFTXHOZVIEN-MXVIHJGJSA-N 2 0 300.490 4.423 20 30 DIEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240459459 1056521466 /nfs/dbraw/zinc/52/14/66/1056521466.db2.gz XQJNTQKFZNPCBA-QFIPXVFZSA-N 2 0 318.464 4.322 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000675783473 1057414151 /nfs/dbraw/zinc/41/41/51/1057414151.db2.gz ICMCFJCYZPZECR-UTKZUKDTSA-N 2 0 312.501 4.333 20 30 DIEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242678152 1057444645 /nfs/dbraw/zinc/44/46/45/1057444645.db2.gz ZFKPWQYBXFDEGZ-OAQYLSRUSA-N 2 0 304.437 4.280 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066744 1058659340 /nfs/dbraw/zinc/65/93/40/1058659340.db2.gz BHESZHOJLHFAQB-VAMGGRTRSA-N 2 0 324.553 4.102 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001246037708 1058660235 /nfs/dbraw/zinc/66/02/35/1058660235.db2.gz XDJYFHBKSDMBPS-LJQANCHMSA-N 2 0 324.553 4.096 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246086606 1058671350 /nfs/dbraw/zinc/67/13/50/1058671350.db2.gz DSZXKYOODSDDLC-HZPDHXFCSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246123733 1058687264 /nfs/dbraw/zinc/68/72/64/1058687264.db2.gz AZDSFYBKGNTBAD-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246129282 1058690087 /nfs/dbraw/zinc/69/00/87/1058690087.db2.gz DNSQIFBMMNYPMD-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246128935 1058690764 /nfs/dbraw/zinc/69/07/64/1058690764.db2.gz CGCFXFKZRRIDBT-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246137050 1058692500 /nfs/dbraw/zinc/69/25/00/1058692500.db2.gz HQLBBJNQOABXNL-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]CC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001246144655 1058696200 /nfs/dbraw/zinc/69/62/00/1058696200.db2.gz XXDCTBBBAMXEBF-MOPGFXCFSA-N 2 0 319.537 4.326 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246140251 1058696663 /nfs/dbraw/zinc/69/66/63/1058696663.db2.gz ZWGXEKYCVSVQHG-RTBURBONSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]CC[C@H]1CCOC12CC[NH2+]CC2 ZINC001246140346 1058696848 /nfs/dbraw/zinc/69/68/48/1058696848.db2.gz NWBNBSVVCCTFAK-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001246148076 1058699686 /nfs/dbraw/zinc/69/96/86/1058699686.db2.gz DMAPUTLUBYTKRV-VNTMZGSJSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246150402 1058700146 /nfs/dbraw/zinc/70/01/46/1058700146.db2.gz VVQQTMAGYCLOMH-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155986 1058701529 /nfs/dbraw/zinc/70/15/29/1058701529.db2.gz HRPJFKWDHXGEID-HSALFYBXSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246244981 1058764411 /nfs/dbraw/zinc/76/44/11/1058764411.db2.gz DMSKCDPTPVTCEM-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246251613 1058772034 /nfs/dbraw/zinc/77/20/34/1058772034.db2.gz XNFWVNAFKALOPA-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246255371 1058774572 /nfs/dbraw/zinc/77/45/72/1058774572.db2.gz JECXXQQKJQREMY-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256849 1058777701 /nfs/dbraw/zinc/77/77/01/1058777701.db2.gz QRHPPGFTHNOBRJ-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246338181 1058849977 /nfs/dbraw/zinc/84/99/77/1058849977.db2.gz AQWYXZYGXFYLII-IHWFROFDSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]CC1(c2cccnc2)CC[NH2+]CC1 ZINC001246421890 1058919340 /nfs/dbraw/zinc/91/93/40/1058919340.db2.gz FWVBLFFNWSBBSX-GOSISDBHSA-N 2 0 317.521 4.041 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC001246453625 1058941089 /nfs/dbraw/zinc/94/10/89/1058941089.db2.gz UWKXIYXNPCIBPN-KXBFYZLASA-N 2 0 304.453 4.201 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H](C1)C2 ZINC001246512851 1058977150 /nfs/dbraw/zinc/97/71/50/1058977150.db2.gz NCHPOFVIJSCDBM-MHYDHLEJSA-N 2 0 302.506 4.166 20 30 DIEDRP C#CCN([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815958 1059111830 /nfs/dbraw/zinc/11/18/30/1059111830.db2.gz FWSKFCLRQRDYRV-TZIWHRDSSA-N 2 0 322.496 4.064 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246972319 1059217461 /nfs/dbraw/zinc/21/74/61/1059217461.db2.gz HKNRWQXPEIKCBO-IHPCNDPISA-N 2 0 300.490 4.422 20 30 DIEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246978651 1059223644 /nfs/dbraw/zinc/22/36/44/1059223644.db2.gz VHQFUZYYLZLFAM-PMACEKPBSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560963650 1060831107 /nfs/dbraw/zinc/83/11/07/1060831107.db2.gz UEDGTEUWGQZRJS-AZUAARDMSA-N 2 0 314.517 4.479 20 30 DIEDRP C=CC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462560174 1061262249 /nfs/dbraw/zinc/26/22/49/1061262249.db2.gz AHMLNQKCYJWOIP-UYAOXDASSA-N 2 0 314.517 4.479 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001253256946 1061860751 /nfs/dbraw/zinc/86/07/51/1061860751.db2.gz IJJPRMHRUSQCNF-HSALFYBXSA-N 2 0 324.553 4.117 20 30 DIEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001253256478 1061861140 /nfs/dbraw/zinc/86/11/40/1061861140.db2.gz ZBAGDQONDFRFFD-FQEVSTJZSA-N 2 0 324.553 4.117 20 30 DIEDRP CCCC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255319064 1062394205 /nfs/dbraw/zinc/39/42/05/1062394205.db2.gz FDCQAQKCSAPNKJ-NSISKUIASA-N 2 0 313.489 4.209 20 30 DIEDRP CCCC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255319067 1062395767 /nfs/dbraw/zinc/39/57/67/1062395767.db2.gz FDCQAQKCSAPNKJ-VDGAXYAQSA-N 2 0 313.489 4.209 20 30 DIEDRP C#CCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001460096613 1062634448 /nfs/dbraw/zinc/63/44/48/1062634448.db2.gz DCXVYKBSAJPJLX-JOCHJYFZSA-N 2 0 324.512 4.168 20 30 DIEDRP CCC[C@@H](CC)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253859 1063160057 /nfs/dbraw/zinc/16/00/57/1063160057.db2.gz WVQKDCXXILFZCM-VAMGGRTRSA-N 2 0 313.489 4.209 20 30 DIEDRP CCC[C@H](CC)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253857 1063160261 /nfs/dbraw/zinc/16/02/61/1063160261.db2.gz WVQKDCXXILFZCM-UFYCRDLUSA-N 2 0 313.489 4.209 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001461120738 1063271709 /nfs/dbraw/zinc/27/17/09/1063271709.db2.gz LZMVJWYKRLTWPI-NRSPTQNISA-N 2 0 312.501 4.233 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH3+])(Cc4ccccc4)CC3)C[C@H](C1)C2 ZINC001257890595 1063427416 /nfs/dbraw/zinc/42/74/16/1063427416.db2.gz QRWKNTXQQMUEFN-WCRBZPEASA-N 2 0 324.512 4.157 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH3+])(c4ccccc4)CC3)C[C@H](C1)C2 ZINC001257890759 1063427568 /nfs/dbraw/zinc/42/75/68/1063427568.db2.gz ZKOYQXLLASHBCO-UFRUDQCGSA-N 2 0 310.485 4.071 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001258049674 1063483049 /nfs/dbraw/zinc/48/30/49/1063483049.db2.gz MOKSEMVDVGNUIH-GOSISDBHSA-N 2 0 324.553 4.311 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724033 1063779952 /nfs/dbraw/zinc/77/99/52/1063779952.db2.gz LOKSKFDCZDNCGE-ATZDWAIDSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736728 1063784572 /nfs/dbraw/zinc/78/45/72/1063784572.db2.gz ZMRMAZWXCGYCDB-SESVDKBCSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736729 1063785124 /nfs/dbraw/zinc/78/51/24/1063785124.db2.gz ZMRMAZWXCGYCDB-TYPHKJRUSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902957 1063877208 /nfs/dbraw/zinc/87/72/08/1063877208.db2.gz IOVOCKYNMVLUDI-ZWKOTPCHSA-N 2 0 318.505 4.413 20 30 DIEDRP C#CCCCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308644885 1066135664 /nfs/dbraw/zinc/13/56/64/1066135664.db2.gz XDNNPBBXFIGANI-TZIWHRDSSA-N 2 0 312.501 4.070 20 30 DIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000074335602 331671144 /nfs/dbraw/zinc/67/11/44/331671144.db2.gz JQMBLZNGBOLNPA-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP C=CC[N@H+](Cc1cccs1)Cc1cc(-n2ccnc2)cs1 ZINC000346135153 335379916 /nfs/dbraw/zinc/37/99/16/335379916.db2.gz GWHMMELGZCSWEC-UHFFFAOYSA-N 2 0 315.467 4.184 20 30 DIEDRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000532466295 336249247 /nfs/dbraw/zinc/24/92/47/336249247.db2.gz FHJHCOOEZWWRRX-FVJLSDCUSA-N 2 0 319.452 4.044 20 30 DIEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029603 337696405 /nfs/dbraw/zinc/69/64/05/337696405.db2.gz IPCBFTQXHIGDNE-XHSDSOJGSA-N 2 0 307.441 4.002 20 30 DIEDRP C=CC[C@@H](CC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551305357 341337880 /nfs/dbraw/zinc/33/78/80/341337880.db2.gz WQIBOHOAUPZDCC-XEVCZEQESA-N 2 0 300.490 4.374 20 30 DIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181609303 519630003 /nfs/dbraw/zinc/63/00/03/519630003.db2.gz JSJMEGMGWUQIFI-KRWDZBQOSA-N 2 0 321.468 4.249 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208685 1036062637 /nfs/dbraw/zinc/06/26/37/1036062637.db2.gz XTOVOMKKLVRUPM-RTWAWAEBSA-N 2 0 312.501 4.187 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000602515230 1038026242 /nfs/dbraw/zinc/02/62/42/1038026242.db2.gz OVEWKLDAMVNJDB-ZWKOTPCHSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000602523395 1038029425 /nfs/dbraw/zinc/02/94/25/1038029425.db2.gz BYKGTJNASNHMNE-GOSISDBHSA-N 2 0 313.489 4.092 20 30 DIEDRP C=C(C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205206 1040111404 /nfs/dbraw/zinc/11/14/04/1040111404.db2.gz CPXMTWMJWBHYII-DENIHFKCSA-N 2 0 320.480 4.200 20 30 DIEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414110188 1040876403 /nfs/dbraw/zinc/87/64/03/1040876403.db2.gz HXKGSRYVLJGTAR-VQIMIIECSA-N 2 0 318.892 4.216 20 30 DIEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnc2ccccc21 ZINC000747630561 1041439953 /nfs/dbraw/zinc/43/99/53/1041439953.db2.gz WESYDRJQMCIXEW-UHFFFAOYSA-N 2 0 320.440 4.028 20 30 DIEDRP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998017 1041747861 /nfs/dbraw/zinc/74/78/61/1041747861.db2.gz UJXJUUJYMDHMGL-UGKGYDQZSA-N 2 0 320.480 4.200 20 30 DIEDRP C#CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001167824736 1042212134 /nfs/dbraw/zinc/21/21/34/1042212134.db2.gz GBUARFOCPMAJRS-GHTZIAJQSA-N 2 0 312.501 4.120 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246086548 1042223150 /nfs/dbraw/zinc/22/31/50/1042223150.db2.gz DGIQLAMARPVYQV-JKSUJKDBSA-N 2 0 304.469 4.350 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029551 1042696047 /nfs/dbraw/zinc/69/60/47/1042696047.db2.gz IIZYNFRRXSILRB-DLBZAZTESA-N 2 0 321.468 4.393 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995766 1043075971 /nfs/dbraw/zinc/07/59/71/1043075971.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 2 0 324.512 4.470 20 30 DIEDRP C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602808 1043435132 /nfs/dbraw/zinc/43/51/32/1043435132.db2.gz XYMLOWHCNLSQLW-LAUBAEHRSA-N 2 0 321.468 4.444 20 30 DIEDRP CCC1([NH+]2CCCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931466193 1044031477 /nfs/dbraw/zinc/03/14/77/1044031477.db2.gz VKOHRMUTBZYZJU-UHFFFAOYSA-N 2 0 317.521 4.191 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564718450 1044400621 /nfs/dbraw/zinc/40/06/21/1044400621.db2.gz JHHAXDBCNIPLLE-HKUYNNGSSA-N 2 0 300.490 4.089 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826815403 1046461824 /nfs/dbraw/zinc/46/18/24/1046461824.db2.gz JZTDKGXTPZKVBS-SFHVURJKSA-N 2 0 324.553 4.216 20 30 DIEDRP CC[NH+](CC)CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001184336520 1048030204 /nfs/dbraw/zinc/03/02/04/1048030204.db2.gz ACNDWRKJZGITMH-UUKMXZOPSA-N 2 0 313.489 4.132 20 30 DIEDRP CCCCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281409 1048617173 /nfs/dbraw/zinc/61/71/73/1048617173.db2.gz NGJCSUMZTAEWKH-SFHVURJKSA-N 2 0 303.494 4.343 20 30 DIEDRP C=CCCCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001176566923 1048727895 /nfs/dbraw/zinc/72/78/95/1048727895.db2.gz FTACSZVTHHHPFL-UHFFFAOYSA-N 2 0 312.501 4.430 20 30 DIEDRP C=CCCC[NH+]1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC001209161551 1050040704 /nfs/dbraw/zinc/04/07/04/1050040704.db2.gz MWQKZWMXIIUIIJ-UHFFFAOYSA-N 2 0 318.530 4.392 20 30 DIEDRP C=CCCCCC[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001209428285 1050057177 /nfs/dbraw/zinc/05/71/77/1050057177.db2.gz DLYAGTSFVWYNPY-UHFFFAOYSA-N 2 0 312.501 4.256 20 30 DIEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555752 1050541541 /nfs/dbraw/zinc/54/15/41/1050541541.db2.gz HQSLYGHKYOTHQT-CVEARBPZSA-N 2 0 304.469 4.432 20 30 DIEDRP CC(C)[PH+](CC[NH2+][C@@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171201135 1050628690 /nfs/dbraw/zinc/62/86/90/1050628690.db2.gz IGUZUSQVSOHENH-INIZCTEOSA-N 2 0 304.418 4.378 20 30 DIEDRP C=CCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085064 1050687744 /nfs/dbraw/zinc/68/77/44/1050687744.db2.gz FYUVUROGZQNXMW-KRWDZBQOSA-N 2 0 306.519 4.167 20 30 DIEDRP CCCCCCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554627 1051165015 /nfs/dbraw/zinc/16/50/15/1051165015.db2.gz LAHRWQYHKQYYTA-UHFFFAOYSA-N 2 0 303.494 4.344 20 30 DIEDRP CCC#C[C@@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001171641770 1051196768 /nfs/dbraw/zinc/19/67/68/1051196768.db2.gz NLLJTNHNXMUWLF-HXUWFJFHSA-N 2 0 324.512 4.167 20 30 DIEDRP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657321 1051356570 /nfs/dbraw/zinc/35/65/70/1051356570.db2.gz SBLKKHMKGCUZAE-DENIHFKCSA-N 2 0 320.480 4.343 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172503534 1051422794 /nfs/dbraw/zinc/42/27/94/1051422794.db2.gz RMAXYCGMRSTBHA-SFHVURJKSA-N 2 0 312.542 4.345 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172508351 1051424856 /nfs/dbraw/zinc/42/48/56/1051424856.db2.gz JKGQPCDZUXTNLD-LJQANCHMSA-N 2 0 324.553 4.216 20 30 DIEDRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001173101150 1051606511 /nfs/dbraw/zinc/60/65/11/1051606511.db2.gz DMTFZXDKVAJMTA-UHFFFAOYSA-N 2 0 313.489 4.036 20 30 DIEDRP CC(C)[Si](C#C[NH2+]CC12CC[NH+](CC1)CC2)(C(C)C)C(C)C ZINC001169795724 1051701762 /nfs/dbraw/zinc/70/17/62/1051701762.db2.gz SVDMLMVXLWZFCS-UHFFFAOYSA-N 2 0 320.597 4.241 20 30 DIEDRP CC1(C#N)CCC([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591217 1051755822 /nfs/dbraw/zinc/75/58/22/1051755822.db2.gz MBPYFDJVCSWRPU-RTWGARKQSA-N 2 0 317.521 4.221 20 30 DIEDRP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)C1CCC(C)(C#N)CC1 ZINC001173596847 1051757035 /nfs/dbraw/zinc/75/70/35/1051757035.db2.gz FUVNMVVFZPVWIX-UHFFFAOYSA-N 2 0 317.521 4.188 20 30 DIEDRP C=CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495421922 1052343351 /nfs/dbraw/zinc/34/33/51/1052343351.db2.gz WNEIFARQINTUSU-HOJAQTOUSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433674 1052346038 /nfs/dbraw/zinc/34/60/38/1052346038.db2.gz PEVWTZYATOHJOV-PNYFIKQUSA-N 2 0 300.490 4.087 20 30 DIEDRP CCCCCCCOc1ccc(C[N@H+](C)CCCC[NH3+])cc1 ZINC001236143378 1052840154 /nfs/dbraw/zinc/84/01/54/1052840154.db2.gz VJSXXEVNHJFDJZ-UHFFFAOYSA-N 2 0 306.494 4.207 20 30 DIEDRP CCCCCCCCCCN1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363726 1053006825 /nfs/dbraw/zinc/00/68/25/1053006825.db2.gz VVQIOXLRINRMSM-GJZGRUSLSA-N 2 0 308.432 4.339 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429450 1054718726 /nfs/dbraw/zinc/71/87/26/1054718726.db2.gz YAGMCJOROIBSMN-AABGKKOBSA-N 2 0 302.506 4.001 20 30 DIEDRP C[C@H](c1ccccc1)[N@H+](CCCCC[NH3+])Cc1cccc(C#N)c1 ZINC001236147131 1054968196 /nfs/dbraw/zinc/96/81/96/1054968196.db2.gz PFHRMQRUNQCSCP-GOSISDBHSA-N 2 0 321.468 4.250 20 30 DIEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236362382 1055072255 /nfs/dbraw/zinc/07/22/55/1055072255.db2.gz ZCUVWMTYEHFPAB-JOCHJYFZSA-N 2 0 318.464 4.322 20 30 DIEDRP C=CCCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743313 1056620432 /nfs/dbraw/zinc/62/04/32/1056620432.db2.gz WSPRGEJHNJEUQQ-ICSRJNTNSA-N 2 0 300.490 4.233 20 30 DIEDRP C#CCCCCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001616476029 1056663704 /nfs/dbraw/zinc/66/37/04/1056663704.db2.gz LKCYMWDWBXMGLP-UHFFFAOYSA-N 2 0 304.522 4.158 20 30 DIEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639097 1057490663 /nfs/dbraw/zinc/49/06/63/1057490663.db2.gz FWZVTPVWCFIYFZ-TZIWHRDSSA-N 2 0 312.501 4.233 20 30 DIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(C[NH2+]C)c2)cc1 ZINC001242999726 1057540959 /nfs/dbraw/zinc/54/09/59/1057540959.db2.gz UQEWBYLMWQMDIM-NRFANRHFSA-N 2 0 306.453 4.396 20 30 DIEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390010 1057597012 /nfs/dbraw/zinc/59/70/12/1057597012.db2.gz HCYSRIXESPXZSS-OXJNMPFZSA-N 2 0 313.489 4.036 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246022727 1058656823 /nfs/dbraw/zinc/65/68/23/1058656823.db2.gz BAXVCYFNQYZCRM-IBGZPJMESA-N 2 0 324.553 4.096 20 30 DIEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC001245999886 1058657334 /nfs/dbraw/zinc/65/73/34/1058657334.db2.gz GJHUHMAXTLFKBS-IPMKNSEASA-N 2 0 312.542 4.128 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063564 1058658622 /nfs/dbraw/zinc/65/86/22/1058658622.db2.gz KTPXXDNJSTXQJR-GUDVDZBRSA-N 2 0 312.542 4.080 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001246060657 1058660633 /nfs/dbraw/zinc/66/06/33/1058660633.db2.gz QQPQRDNDFYUTCI-RBUKOAKNSA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124842 1058686705 /nfs/dbraw/zinc/68/67/05/1058686705.db2.gz GQLVNJVRBOBHFE-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133267 1058689473 /nfs/dbraw/zinc/68/94/73/1058689473.db2.gz PKVKOCBNXTZSHL-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129467 1058690627 /nfs/dbraw/zinc/69/06/27/1058690627.db2.gz DVUMGUZFVQWQJC-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246146285 1058696959 /nfs/dbraw/zinc/69/69/59/1058696959.db2.gz GQAKFEVCNIAYEQ-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001246151679 1058699651 /nfs/dbraw/zinc/69/96/51/1058699651.db2.gz JPSSARADLUTCIA-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149064 1058699725 /nfs/dbraw/zinc/69/97/25/1058699725.db2.gz JDQWNZZGOTVYPY-IYWMVGAKSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155907 1058703840 /nfs/dbraw/zinc/70/38/40/1058703840.db2.gz HFRUHBKNODVDHO-ZCNNSNEGSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246181935 1058728587 /nfs/dbraw/zinc/72/85/87/1058728587.db2.gz SUYWWJWKOFCGBT-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246213379 1058745564 /nfs/dbraw/zinc/74/55/64/1058745564.db2.gz YCQUGEZDXSKRMX-SFHVURJKSA-N 2 0 310.526 4.018 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246258821 1058781336 /nfs/dbraw/zinc/78/13/36/1058781336.db2.gz YMVVBYLKTCLXMO-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCC[C@H]1C[C@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302248 1058810509 /nfs/dbraw/zinc/81/05/09/1058810509.db2.gz XGUMRXVUFVODIJ-XUVXKRRUSA-N 2 0 313.489 4.156 20 30 DIEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561295 1059004176 /nfs/dbraw/zinc/00/41/76/1059004176.db2.gz WCXBUPIAVLFFPU-HZPDHXFCSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCCCCC[C@H](CC)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001246664528 1059056784 /nfs/dbraw/zinc/05/67/84/1059056784.db2.gz RMBARYKLXHYWKZ-SFHVURJKSA-N 2 0 324.553 4.359 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785347 1059083335 /nfs/dbraw/zinc/08/33/35/1059083335.db2.gz AFXBDJBKOPRPSF-OALUTQOASA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951610 1059193896 /nfs/dbraw/zinc/19/38/96/1059193896.db2.gz MTSDOCCPVZUMAZ-INIZCTEOSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246969166 1059213934 /nfs/dbraw/zinc/21/39/34/1059213934.db2.gz USDAIMZJWQKSFE-OALUTQOASA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246978655 1059220807 /nfs/dbraw/zinc/22/08/07/1059220807.db2.gz VHQFUZYYLZLFAM-UXHICEINSA-N 2 0 323.569 4.013 20 30 DIEDRP C#CCCCCCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069678 1059880662 /nfs/dbraw/zinc/88/06/62/1059880662.db2.gz YICPEEWNFKQAIE-FQEVSTJZSA-N 2 0 304.522 4.157 20 30 DIEDRP C=CCC[C@H](CCC)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC001462509802 1061218393 /nfs/dbraw/zinc/21/83/93/1061218393.db2.gz BWCDYJBEDBDYSQ-FQEVSTJZSA-N 2 0 314.517 4.375 20 30 DIEDRP C#CCCCCCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001473756726 1061397161 /nfs/dbraw/zinc/39/71/61/1061397161.db2.gz IGFSFUWMSQYFKT-UHFFFAOYSA-N 2 0 304.522 4.301 20 30 DIEDRP C#CCCCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176769 /nfs/dbraw/zinc/17/67/69/1062176769.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 2 0 304.522 4.157 20 30 DIEDRP C=CC[C@@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001460313523 1062776161 /nfs/dbraw/zinc/77/61/61/1062776161.db2.gz CYXNQZFSHUJMNF-LJQANCHMSA-N 2 0 312.501 4.329 20 30 DIEDRP C=C1C[C@@H]2CC([N@@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890701 1063428359 /nfs/dbraw/zinc/42/83/59/1063428359.db2.gz WNSBCSUYJSWTNT-DPSFSNCASA-N 2 0 302.506 4.103 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CC[NH+](C(CC)CC)CC3)C[C@H](C1)C2 ZINC001257890402 1063429138 /nfs/dbraw/zinc/42/91/38/1063429138.db2.gz KHBORKCNSQFNPH-JJTKIYQPSA-N 2 0 304.522 4.364 20 30 DIEDRP CCCCCCC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258043132 1063474809 /nfs/dbraw/zinc/47/48/09/1063474809.db2.gz JSPFTSPZMPZNPT-GUDVDZBRSA-N 2 0 324.553 4.486 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001258722386 1063775961 /nfs/dbraw/zinc/77/59/61/1063775961.db2.gz HODBQWNWUQEINB-MRXNPFEDSA-N 2 0 320.908 4.496 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001258722374 1063777186 /nfs/dbraw/zinc/77/71/86/1063777186.db2.gz HDJUUWMQFJSGCT-OAHLLOKOSA-N 2 0 306.881 4.031 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001258723600 1063777194 /nfs/dbraw/zinc/77/71/94/1063777194.db2.gz ZSTFGRAMONQAJB-INIZCTEOSA-N 2 0 320.908 4.496 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723669 1063777217 /nfs/dbraw/zinc/77/72/17/1063777217.db2.gz BSTAYDCVNZMYET-BHIYHBOVSA-N 2 0 316.489 4.122 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001258723601 1063777243 /nfs/dbraw/zinc/77/72/43/1063777243.db2.gz ZSTFGRAMONQAJB-MRXNPFEDSA-N 2 0 320.908 4.496 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001258724048 1063778752 /nfs/dbraw/zinc/77/87/52/1063778752.db2.gz LVCPNUBVXAJBLJ-OAHLLOKOSA-N 2 0 306.881 4.031 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001258728072 1063780423 /nfs/dbraw/zinc/78/04/23/1063780423.db2.gz MAHUWDKPZSTKEH-MJGOQNOKSA-N 2 0 316.489 4.311 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001258731637 1063781859 /nfs/dbraw/zinc/78/18/59/1063781859.db2.gz BLONKAWMQIRXMZ-LJQANCHMSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001258728890 1063782162 /nfs/dbraw/zinc/78/21/62/1063782162.db2.gz RCUXVDIYEFWECX-QGZVFWFLSA-N 2 0 318.530 4.391 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734022 1063783096 /nfs/dbraw/zinc/78/30/96/1063783096.db2.gz QELSSVIMBSDLNK-PZJWPPBQSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734021 1063783253 /nfs/dbraw/zinc/78/32/53/1063783253.db2.gz QELSSVIMBSDLNK-FPOVZHCZSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902954 1063876660 /nfs/dbraw/zinc/87/66/60/1063876660.db2.gz IOVOCKYNMVLUDI-MSOLQXFVSA-N 2 0 318.505 4.413 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308488690 1066022919 /nfs/dbraw/zinc/02/29/19/1066022919.db2.gz PTEGLQHGXRMVBM-YHELAOLJSA-N 2 0 312.501 4.089 20 30 DIEDRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710295 334100218 /nfs/dbraw/zinc/10/02/18/334100218.db2.gz LNJGRYOKPPZGIZ-OAQYLSRUSA-N 2 0 321.468 4.251 20 30 DIEDRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447542275 338555769 /nfs/dbraw/zinc/55/57/69/338555769.db2.gz OJPBRFHOUAKTMR-FQEVSTJZSA-N 2 0 313.489 4.111 20 30 DIEDRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449067282 338589965 /nfs/dbraw/zinc/58/99/65/338589965.db2.gz KBNYXPMLPXCQGP-UHFFFAOYSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512671662 340372376 /nfs/dbraw/zinc/37/23/76/340372376.db2.gz GQRWEKQYMSYXNI-MRXNPFEDSA-N 2 0 317.452 4.004 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550855457 341324619 /nfs/dbraw/zinc/32/46/19/341324619.db2.gz JCVOMDDZGUBRGG-OWZKRDHZSA-N 2 0 312.501 4.374 20 30 DIEDRP C=CCCCCCCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001209442024 1036188054 /nfs/dbraw/zinc/18/80/54/1036188054.db2.gz NRYRZTYIJAKMHW-UHFFFAOYSA-N 2 0 322.537 4.088 20 30 DIEDRP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624769 1037041846 /nfs/dbraw/zinc/04/18/46/1037041846.db2.gz JUIGJVKVJKFPKH-ROUUACIJSA-N 2 0 321.468 4.119 20 30 DIEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000539608575 1039297559 /nfs/dbraw/zinc/29/75/59/1039297559.db2.gz SAQJQDBSCUTZED-INIZCTEOSA-N 2 0 317.452 4.004 20 30 DIEDRP C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492329141 1039952176 /nfs/dbraw/zinc/95/21/76/1039952176.db2.gz LILUBLLKBSNGKO-NLWGTHIKSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163365 1040339331 /nfs/dbraw/zinc/33/93/31/1040339331.db2.gz IZLISOGNYCWOIV-GOSISDBHSA-N 2 0 315.505 4.018 20 30 DIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000817979966 1042135793 /nfs/dbraw/zinc/13/57/93/1042135793.db2.gz GUBGXKQURMPEMY-DOTOQJQBSA-N 2 0 322.880 4.001 20 30 DIEDRP C=CCN1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924984251 1042781473 /nfs/dbraw/zinc/78/14/73/1042781473.db2.gz QGOSSARCLRSDDS-LLVKDONJSA-N 2 0 318.408 4.068 20 30 DIEDRP C=CC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076364 1042968724 /nfs/dbraw/zinc/96/87/24/1042968724.db2.gz WSLXIPOWRQHKDG-OXJNMPFZSA-N 2 0 309.457 4.111 20 30 DIEDRP C=CC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076366 1042969103 /nfs/dbraw/zinc/96/91/03/1042969103.db2.gz WSLXIPOWRQHKDG-OXQOHEQNSA-N 2 0 309.457 4.111 20 30 DIEDRP C=CCCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000665236611 1043293408 /nfs/dbraw/zinc/29/34/08/1043293408.db2.gz QRUARUULCLCXHY-OAHLLOKOSA-N 2 0 301.478 4.026 20 30 DIEDRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1 ZINC000927037186 1043670131 /nfs/dbraw/zinc/67/01/31/1043670131.db2.gz LUVVCYZFWVBUPA-IOJLRTSASA-N 2 0 311.473 4.006 20 30 DIEDRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787428 1045198331 /nfs/dbraw/zinc/19/83/31/1045198331.db2.gz XEPXQVBVYYUFEC-HOTGVXAUSA-N 2 0 307.441 4.032 20 30 DIEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449444776 1045393924 /nfs/dbraw/zinc/39/39/24/1045393924.db2.gz DJGLLEMJISOHFO-WMZOPIPTSA-N 2 0 319.537 4.338 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000538394291 1047674284 /nfs/dbraw/zinc/67/42/84/1047674284.db2.gz VFXAHIVUCZYUTN-LSTHTHJFSA-N 2 0 313.489 4.109 20 30 DIEDRP C=CCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984527 1048080120 /nfs/dbraw/zinc/08/01/20/1048080120.db2.gz RJFXGUQATZFYAM-FQEVSTJZSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001200942363 1048167609 /nfs/dbraw/zinc/16/76/09/1048167609.db2.gz OULCICDDXKPJCX-NSHGMRRFSA-N 2 0 300.490 4.231 20 30 DIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483959053 1048886698 /nfs/dbraw/zinc/88/66/98/1048886698.db2.gz QOORKCKKOZFMEC-FQEVSTJZSA-N 2 0 324.512 4.015 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001177669380 1048926874 /nfs/dbraw/zinc/92/68/74/1048926874.db2.gz XDFPOJJORRSVLI-YZGWKJHDSA-N 2 0 304.522 4.366 20 30 DIEDRP C=CCC[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214689 /nfs/dbraw/zinc/21/46/89/1049214689.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 2 0 322.496 4.410 20 30 DIEDRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196935998 1049706890 /nfs/dbraw/zinc/70/68/90/1049706890.db2.gz NTBFHWKBVPUVDM-IBGZPJMESA-N 2 0 319.537 4.293 20 30 DIEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161178 1050040432 /nfs/dbraw/zinc/04/04/32/1050040432.db2.gz INTYTAKJLUFOSX-QXAKKESOSA-N 2 0 318.530 4.247 20 30 DIEDRP CC[N@H+](CCC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000593661315 1050431980 /nfs/dbraw/zinc/43/19/80/1050431980.db2.gz XVEFRCDOJMOTNX-UHFFFAOYSA-N 2 0 305.510 4.093 20 30 DIEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635568 1050772228 /nfs/dbraw/zinc/77/22/28/1050772228.db2.gz CQBDZAKPUGAXJT-HZPDHXFCSA-N 2 0 302.453 4.056 20 30 DIEDRP Cc1ccccc1C[N@@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491652 1051418657 /nfs/dbraw/zinc/41/86/57/1051418657.db2.gz IANPUHWTTGOVLO-MISYRCLQSA-N 2 0 313.489 4.149 20 30 DIEDRP CC(C)(C)C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173333451 1051696665 /nfs/dbraw/zinc/69/66/65/1051696665.db2.gz LQTHPTGXVJAHJG-QXINMDOSSA-N 2 0 305.510 4.077 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433673 1052345830 /nfs/dbraw/zinc/34/58/30/1052345830.db2.gz PEVWTZYATOHJOV-JPLJXNOCSA-N 2 0 300.490 4.087 20 30 DIEDRP C=CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCCCC1 ZINC001232151916 1053971957 /nfs/dbraw/zinc/97/19/57/1053971957.db2.gz RULXZAWRTFRFGD-UHFFFAOYSA-N 2 0 304.453 4.208 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235151643 1054667408 /nfs/dbraw/zinc/66/74/08/1054667408.db2.gz IVNDLFZKYASMDP-QUCCMNQESA-N 2 0 302.506 4.143 20 30 DIEDRP C[C@@H](c1ccccc1)[N@H+](CCCCC[NH3+])Cc1cccc(C#N)c1 ZINC001236147133 1054968253 /nfs/dbraw/zinc/96/82/53/1054968253.db2.gz PFHRMQRUNQCSCP-SFHVURJKSA-N 2 0 321.468 4.250 20 30 DIEDRP C=CCCCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499708 1055150746 /nfs/dbraw/zinc/15/07/46/1055150746.db2.gz QEOLCUUMGHEZNJ-UHFFFAOYSA-N 2 0 322.443 4.265 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236572573 1055192983 /nfs/dbraw/zinc/19/29/83/1055192983.db2.gz SPGYBSAVJQNEAQ-QWFCFKBJSA-N 2 0 302.506 4.413 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605851 1055203664 /nfs/dbraw/zinc/20/36/64/1055203664.db2.gz VSLHZOQQVJEEKF-HXUWFJFHSA-N 2 0 318.505 4.207 20 30 DIEDRP C=CCCCC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001278269777 1055727962 /nfs/dbraw/zinc/72/79/62/1055727962.db2.gz SBNNRTXESBZWQT-HXUWFJFHSA-N 2 0 315.505 4.049 20 30 DIEDRP CCCCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001617813328 1056887782 /nfs/dbraw/zinc/88/77/82/1056887782.db2.gz FXVJOUNHYJQLQA-UHFFFAOYSA-N 2 0 311.473 4.327 20 30 DIEDRP C=CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000766020091 1057120736 /nfs/dbraw/zinc/12/07/36/1057120736.db2.gz MGSQLIAVWNLQRU-HXUWFJFHSA-N 2 0 313.489 4.086 20 30 DIEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]CCCC[NH2+]C ZINC001245983348 1058652258 /nfs/dbraw/zinc/65/22/58/1058652258.db2.gz IIJTYHXIYLTXJN-IBGZPJMESA-N 2 0 314.558 4.248 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccccc1C[NH3+] ZINC001246008194 1058655020 /nfs/dbraw/zinc/65/50/20/1058655020.db2.gz CRRZAASXMMIYRF-FQEVSTJZSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001246023897 1058655912 /nfs/dbraw/zinc/65/59/12/1058655912.db2.gz CHQULJSBWTVPET-IBGZPJMESA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246125143 1058686611 /nfs/dbraw/zinc/68/66/11/1058686611.db2.gz HIUVFQDGDVODKH-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246132513 1058689343 /nfs/dbraw/zinc/68/93/43/1058689343.db2.gz LXPLTNCFDCLYRV-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246131109 1058689860 /nfs/dbraw/zinc/68/98/60/1058689860.db2.gz JDQWNZZGOTVYPY-MTQWCTHYSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246129284 1058690746 /nfs/dbraw/zinc/69/07/46/1058690746.db2.gz DNSQIFBMMNYPMD-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246136114 1058691973 /nfs/dbraw/zinc/69/19/73/1058691973.db2.gz REMKKTLQUROXJY-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246137041 1058692863 /nfs/dbraw/zinc/69/28/63/1058692863.db2.gz UDLBKJLOSHNGQT-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137773 1058692945 /nfs/dbraw/zinc/69/29/45/1058692945.db2.gz XDCCIYWNXPZCNB-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246138488 1058693570 /nfs/dbraw/zinc/69/35/70/1058693570.db2.gz NIGCNXPTKZZLCP-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246138490 1058697030 /nfs/dbraw/zinc/69/70/30/1058697030.db2.gz NIGCNXPTKZZLCP-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]CC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001246144658 1058697067 /nfs/dbraw/zinc/69/70/67/1058697067.db2.gz XXDCTBBBAMXEBF-OALUTQOASA-N 2 0 319.537 4.326 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246168575 1058711677 /nfs/dbraw/zinc/71/16/77/1058711677.db2.gz DVVZVPBHEVKBFB-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246181930 1058727265 /nfs/dbraw/zinc/72/72/65/1058727265.db2.gz SUYWWJWKOFCGBT-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246342278 1058852690 /nfs/dbraw/zinc/85/26/90/1058852690.db2.gz OLGXUURUVZCJKC-LJQANCHMSA-N 2 0 324.553 4.408 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246372000 1058880778 /nfs/dbraw/zinc/88/07/78/1058880778.db2.gz BNLUJISWVFKKHK-PMSBKCLSSA-N 2 0 324.512 4.032 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246428309 1058921507 /nfs/dbraw/zinc/92/15/07/1058921507.db2.gz YOEKHWGJZKIHOO-INIZCTEOSA-N 2 0 320.908 4.197 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC001246453623 1058940824 /nfs/dbraw/zinc/94/08/24/1058940824.db2.gz UWKXIYXNPCIBPN-DNVCBOLYSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCC[C@H](CC)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561292 1059007450 /nfs/dbraw/zinc/00/74/50/1059007450.db2.gz WCXBUPIAVLFFPU-CVEARBPZSA-N 2 0 304.469 4.432 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785348 1059084867 /nfs/dbraw/zinc/08/48/67/1059084867.db2.gz AFXBDJBKOPRPSF-RBUKOAKNSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246797936 1059101368 /nfs/dbraw/zinc/10/13/68/1059101368.db2.gz WHINUSGJPPTEBN-UHFFFAOYSA-N 2 0 312.501 4.377 20 30 DIEDRP C[NH2+]CC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888031 1059156366 /nfs/dbraw/zinc/15/63/66/1059156366.db2.gz QIRSZTLCXJZBJE-MSOLQXFVSA-N 2 0 321.468 4.119 20 30 DIEDRP CC[C@@H]1C[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924941 1059180573 /nfs/dbraw/zinc/18/05/73/1059180573.db2.gz UWQJRYJDLVMONH-KOUNCHBCSA-N 2 0 324.512 4.059 20 30 DIEDRP CC[C@@H]1C[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924956 1059181147 /nfs/dbraw/zinc/18/11/47/1059181147.db2.gz UWQJRYJDLVMONH-ZBYYUNFXSA-N 2 0 324.512 4.059 20 30 DIEDRP CCCC[C@H]1C[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922839 1059181639 /nfs/dbraw/zinc/18/16/39/1059181639.db2.gz MMVAAWUXTYAXJH-FCHUYYIVSA-N 2 0 324.512 4.061 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246966202 1059212260 /nfs/dbraw/zinc/21/22/60/1059212260.db2.gz IMLRQUUXVUNRCJ-OALUTQOASA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001559577222 1059412493 /nfs/dbraw/zinc/41/24/93/1059412493.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 2 0 312.501 4.331 20 30 DIEDRP C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560963654 1060830955 /nfs/dbraw/zinc/83/09/55/1060830955.db2.gz UEDGTEUWGQZRJS-QUCCMNQESA-N 2 0 314.517 4.479 20 30 DIEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001252134420 1061591530 /nfs/dbraw/zinc/59/15/30/1061591530.db2.gz RDELHNQGKOUHQB-RBUKOAKNSA-N 2 0 314.558 4.198 20 30 DIEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253250535 1061853225 /nfs/dbraw/zinc/85/32/25/1061853225.db2.gz BKTRFWSAWNIQED-SFHVURJKSA-N 2 0 324.553 4.115 20 30 DIEDRP C=CCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148640 1062341152 /nfs/dbraw/zinc/34/11/52/1062341152.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 2 0 312.501 4.470 20 30 DIEDRP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H]1C ZINC001255157842 1062344552 /nfs/dbraw/zinc/34/45/52/1062344552.db2.gz XCLWBMIZQJUSGA-NIPLRTIXSA-N 2 0 319.537 4.227 20 30 DIEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001460488789 1062879605 /nfs/dbraw/zinc/87/96/05/1062879605.db2.gz QLQGWGGLYWKDCC-OYRHEFFESA-N 2 0 310.485 4.356 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258042935 1063474797 /nfs/dbraw/zinc/47/47/97/1063474797.db2.gz DRDKTSPCJOTPSO-SFHVURJKSA-N 2 0 317.521 4.166 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001258230991 1063572118 /nfs/dbraw/zinc/57/21/18/1063572118.db2.gz FNIOGJUDBHKBQC-GOSISDBHSA-N 2 0 312.542 4.345 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001258714939 1063772341 /nfs/dbraw/zinc/77/23/41/1063772341.db2.gz YEAPLEQJIKIUSL-GOSISDBHSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001258723947 1063778619 /nfs/dbraw/zinc/77/86/19/1063778619.db2.gz JNUSDAVYQZSMEQ-HNNXBMFYSA-N 2 0 306.881 4.031 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001258731635 1063781722 /nfs/dbraw/zinc/78/17/22/1063781722.db2.gz BLONKAWMQIRXMZ-IBGZPJMESA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514001 332348627 /nfs/dbraw/zinc/34/86/27/332348627.db2.gz ATLVUIXRODPQGU-ZWKOTPCHSA-N 2 0 304.478 4.389 20 30 DIEDRP CCCN(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000560575925 332363763 /nfs/dbraw/zinc/36/37/63/332363763.db2.gz XPBCEIOZQQJSSV-JCGIZDLHSA-N 2 0 319.880 4.005 20 30 DIEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423122002 337700367 /nfs/dbraw/zinc/70/03/67/337700367.db2.gz BSJHBDSVFAEHLB-RLLQIKCJSA-N 2 0 313.489 4.322 20 30 DIEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193993 338006583 /nfs/dbraw/zinc/00/65/83/338006583.db2.gz VHGCYUQOQOUSGR-IWMITWMQSA-N 2 0 319.452 4.146 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449249220 338606729 /nfs/dbraw/zinc/60/67/29/338606729.db2.gz IMYARZWUPMNGMC-QGZVFWFLSA-N 2 0 301.478 4.023 20 30 DIEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449306353 338611358 /nfs/dbraw/zinc/61/13/58/338611358.db2.gz WFRUDOJOEAWJDL-PKOBYXMFSA-N 2 0 300.490 4.026 20 30 DIEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449306351 338611404 /nfs/dbraw/zinc/61/14/04/338611404.db2.gz WFRUDOJOEAWJDL-IEBWSBKVSA-N 2 0 300.490 4.026 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000542664508 341016106 /nfs/dbraw/zinc/01/61/06/341016106.db2.gz YWHWINVKNKGNHO-QGZVFWFLSA-N 2 0 312.457 4.356 20 30 DIEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000552032867 341363302 /nfs/dbraw/zinc/36/33/02/341363302.db2.gz AMBSQJMKPATKEC-SFHVURJKSA-N 2 0 304.478 4.389 20 30 DIEDRP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000552032866 341363312 /nfs/dbraw/zinc/36/33/12/341363312.db2.gz AMBSQJMKPATKEC-GOSISDBHSA-N 2 0 304.478 4.389 20 30 DIEDRP C=CCCCCC[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209427435 1036163034 /nfs/dbraw/zinc/16/30/34/1036163034.db2.gz QNHVXMNLFNHIJL-UHFFFAOYSA-N 2 0 300.490 4.329 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000602515229 1038026492 /nfs/dbraw/zinc/02/64/92/1038026492.db2.gz OVEWKLDAMVNJDB-ROUUACIJSA-N 2 0 313.489 4.090 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](C[C@H](C)CCC#N)CC1)CC(C)C ZINC000602665044 1038064509 /nfs/dbraw/zinc/06/45/09/1038064509.db2.gz XTGCQVKDJSTLQE-GOSISDBHSA-N 2 0 307.526 4.006 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000538394292 1038469305 /nfs/dbraw/zinc/46/93/05/1038469305.db2.gz VFXAHIVUCZYUTN-UXPWSPDFSA-N 2 0 313.489 4.109 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646786 1039079360 /nfs/dbraw/zinc/07/93/60/1039079360.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 2 0 312.501 4.329 20 30 DIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000158881066 1039602021 /nfs/dbraw/zinc/60/20/21/1039602021.db2.gz IMTDRRMWKLNZQD-GOSISDBHSA-N 2 0 319.537 4.293 20 30 DIEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906817 1039880826 /nfs/dbraw/zinc/88/08/26/1039880826.db2.gz CEXSHKLCBJZGGK-HZPDHXFCSA-N 2 0 317.452 4.003 20 30 DIEDRP C=CCC[C@H](CCC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166711 1040339120 /nfs/dbraw/zinc/33/91/20/1040339120.db2.gz OFEPOMHQNRYPRR-FQEVSTJZSA-N 2 0 315.505 4.018 20 30 DIEDRP C=CCC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422992217 1042694831 /nfs/dbraw/zinc/69/48/31/1042694831.db2.gz CHEHQOJTJPJFRZ-JXFKEZNVSA-N 2 0 309.457 4.207 20 30 DIEDRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423524363 1042717390 /nfs/dbraw/zinc/71/73/90/1042717390.db2.gz WYJPTRVMLMJQAF-UXHICEINSA-N 2 0 307.441 4.079 20 30 DIEDRP C=CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076362 1042969677 /nfs/dbraw/zinc/96/96/77/1042969677.db2.gz WSLXIPOWRQHKDG-JXFKEZNVSA-N 2 0 309.457 4.111 20 30 DIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000173915317 1043056500 /nfs/dbraw/zinc/05/65/00/1043056500.db2.gz UFXICQYVGXQLCT-QGZVFWFLSA-N 2 0 321.468 4.249 20 30 DIEDRP CCC1([NH+]2CCCCC2)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000880257038 1044024480 /nfs/dbraw/zinc/02/44/80/1044024480.db2.gz RGSZZEZKKKDQHY-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP CC(C)C[N@H+](CCCCC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000931561407 1044046691 /nfs/dbraw/zinc/04/66/91/1044046691.db2.gz ISHLLVGWCUZBCV-UHFFFAOYSA-N 2 0 319.537 4.150 20 30 DIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449223745 1045364783 /nfs/dbraw/zinc/36/47/83/1045364783.db2.gz YVMBHDVITCVUBS-UHFFFAOYSA-N 2 0 313.489 4.089 20 30 DIEDRP C=CCOc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1Cl ZINC000449527543 1045408076 /nfs/dbraw/zinc/40/80/76/1045408076.db2.gz JEBZINZFHPCGHR-UHFFFAOYSA-N 2 0 324.896 4.115 20 30 DIEDRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833410 1046080071 /nfs/dbraw/zinc/08/00/71/1046080071.db2.gz ZCJNQOKLNFVVAY-HXUWFJFHSA-N 2 0 311.473 4.006 20 30 DIEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936183 1046989718 /nfs/dbraw/zinc/98/97/18/1046989718.db2.gz ZDGBHPXZHOPOOZ-NLWGTHIKSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147687 1047661258 /nfs/dbraw/zinc/66/12/58/1047661258.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 2 0 300.490 4.185 20 30 DIEDRP C=C(C)CN1CCC([NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000482620092 1048646576 /nfs/dbraw/zinc/64/65/76/1048646576.db2.gz OCUHUSSTRKGAHK-NRFANRHFSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775409544 1048784590 /nfs/dbraw/zinc/78/45/90/1048784590.db2.gz NVBHHEHCMAQONJ-JKSUJKDBSA-N 2 0 304.478 4.152 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)N(CC)CC)C1 ZINC001177221857 1048849686 /nfs/dbraw/zinc/84/96/86/1048849686.db2.gz DPIDYJHRZRAONF-GIVPXCGWSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001177669379 1048928094 /nfs/dbraw/zinc/92/80/94/1048928094.db2.gz XDFPOJJORRSVLI-RLLQIKCJSA-N 2 0 304.522 4.366 20 30 DIEDRP C=CCCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000668464965 1049225116 /nfs/dbraw/zinc/22/51/16/1049225116.db2.gz RRDAGNHFKWNQQI-UHFFFAOYSA-N 2 0 313.489 4.167 20 30 DIEDRP CCCCCCCCc1ccc(C[N@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)s1 ZINC001204919316 1049310671 /nfs/dbraw/zinc/31/06/71/1049310671.db2.gz YRXJAHJLIPVGHF-LDLYASANSA-N 2 0 320.546 4.288 20 30 DIEDRP C#Cc1ccc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)cc1 ZINC001204969073 1049326200 /nfs/dbraw/zinc/32/62/00/1049326200.db2.gz RYWFTVPYCDGTNG-UHFFFAOYSA-N 2 0 324.512 4.002 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136063 1049389655 /nfs/dbraw/zinc/38/96/55/1049389655.db2.gz JSRNDUNQEHGBEV-PKOBYXMFSA-N 2 0 318.505 4.062 20 30 DIEDRP C=CCCC[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181410812 1049469929 /nfs/dbraw/zinc/46/99/29/1049469929.db2.gz QGWQQHSODHYMSY-OAQYLSRUSA-N 2 0 314.517 4.481 20 30 DIEDRP C=CCCCCCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001209435471 1050058591 /nfs/dbraw/zinc/05/85/91/1050058591.db2.gz KCLIPURZRNYVHD-UHFFFAOYSA-N 2 0 304.522 4.463 20 30 DIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC(C)(C)C[NH+](C)C)cc1 ZINC001168768673 1050196162 /nfs/dbraw/zinc/19/61/62/1050196162.db2.gz FVPSZWNTHDSLAP-IBGZPJMESA-N 2 0 315.505 4.009 20 30 DIEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555762 1050543143 /nfs/dbraw/zinc/54/31/43/1050543143.db2.gz HQSLYGHKYOTHQT-JKSUJKDBSA-N 2 0 304.469 4.432 20 30 DIEDRP C=CCCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000790494237 1050962787 /nfs/dbraw/zinc/96/27/87/1050962787.db2.gz ATXZBKKWSLGOHE-QGZVFWFLSA-N 2 0 316.489 4.298 20 30 DIEDRP C=CCCCCC[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000793530737 1051321774 /nfs/dbraw/zinc/32/17/74/1051321774.db2.gz GBGWYQOBUDJZQK-GOSISDBHSA-N 2 0 315.505 4.413 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172508349 1051424459 /nfs/dbraw/zinc/42/44/59/1051424459.db2.gz JKGQPCDZUXTNLD-IBGZPJMESA-N 2 0 324.553 4.216 20 30 DIEDRP CC[C@@H]([NH2+]C1CCC([NH+](CC)CC)CC1)c1cccc(C#N)c1 ZINC001173108093 1051609777 /nfs/dbraw/zinc/60/97/77/1051609777.db2.gz XGIHJROTAFGAHE-SOAGJPPSSA-N 2 0 313.489 4.252 20 30 DIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC(C)(C)CC[NH+](C)C)cc1 ZINC001169717692 1051681598 /nfs/dbraw/zinc/68/15/98/1051681598.db2.gz JNUQRMKCIYPEMG-IBGZPJMESA-N 2 0 315.505 4.152 20 30 DIEDRP C=CCCCCCCCCC[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235397064 1054711363 /nfs/dbraw/zinc/71/13/63/1054711363.db2.gz OFZBHHHTPXLAKX-MSOLQXFVSA-N 2 0 310.501 4.302 20 30 DIEDRP N#CCC[N@H+](Cc1ccc2c(c1)C[NH2+]C2)C1CCCCCCC1 ZINC001235663955 1054765547 /nfs/dbraw/zinc/76/55/47/1054765547.db2.gz OTFLPIFMFCPKNH-UHFFFAOYSA-N 2 0 311.473 4.118 20 30 DIEDRP C=CCCCCCC[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972728 1054877308 /nfs/dbraw/zinc/87/73/08/1054877308.db2.gz ANRBAHNLHHOCHK-UHFFFAOYSA-N 2 0 312.501 4.260 20 30 DIEDRP CCCCCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402171 1055094480 /nfs/dbraw/zinc/09/44/80/1055094480.db2.gz WNYHVXNOVLCPOU-UHFFFAOYSA-N 2 0 306.469 4.350 20 30 DIEDRP C=CC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCCCC1 ZINC001236432648 1055112228 /nfs/dbraw/zinc/11/22/28/1055112228.db2.gz CHGJHFNZNKSKPH-UHFFFAOYSA-N 2 0 323.484 4.065 20 30 DIEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000382018276 1055197194 /nfs/dbraw/zinc/19/71/94/1055197194.db2.gz WVHJTDDLYFSAER-ICSRJNTNSA-N 2 0 300.490 4.233 20 30 DIEDRP CCC(CC)[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782980 1055258109 /nfs/dbraw/zinc/25/81/09/1055258109.db2.gz VXNYRVMZKCWVDU-KESTWPANSA-N 2 0 313.489 4.127 20 30 DIEDRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000611393266 1057595609 /nfs/dbraw/zinc/59/56/09/1057595609.db2.gz AILSRVKEGKKZLR-HXUWFJFHSA-N 2 0 313.489 4.034 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001246060659 1058660839 /nfs/dbraw/zinc/66/08/39/1058660839.db2.gz QQPQRDNDFYUTCI-RTBURBONSA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246114844 1058684949 /nfs/dbraw/zinc/68/49/49/1058684949.db2.gz OKTWBQXUSLCWED-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124835 1058687152 /nfs/dbraw/zinc/68/71/52/1058687152.db2.gz GQLVNJVRBOBHFE-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246132032 1058689976 /nfs/dbraw/zinc/68/99/76/1058689976.db2.gz CHCVCHARPCKJJQ-INIZCTEOSA-N 2 0 321.509 4.329 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129466 1058690111 /nfs/dbraw/zinc/69/01/11/1058690111.db2.gz DVUMGUZFVQWQJC-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]CC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001246144660 1058696466 /nfs/dbraw/zinc/69/64/66/1058696466.db2.gz XXDCTBBBAMXEBF-RTBURBONSA-N 2 0 319.537 4.326 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]CC[C@@H]1CCOC12CC[NH2+]CC2 ZINC001246140348 1058696683 /nfs/dbraw/zinc/69/66/83/1058696683.db2.gz NWBNBSVVCCTFAK-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246146280 1058696760 /nfs/dbraw/zinc/69/67/60/1058696760.db2.gz GQAKFEVCNIAYEQ-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246148709 1058699451 /nfs/dbraw/zinc/69/94/51/1058699451.db2.gz QDSXMKZYYGPXAC-UFYCRDLUSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246159111 1058703819 /nfs/dbraw/zinc/70/38/19/1058703819.db2.gz XPBNOYQKJDEOFD-UFYCRDLUSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246168572 1058713201 /nfs/dbraw/zinc/71/32/01/1058713201.db2.gz DVVZVPBHEVKBFB-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246171355 1058717281 /nfs/dbraw/zinc/71/72/81/1058717281.db2.gz JJRUJRBZQCVMAZ-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246176632 1058718318 /nfs/dbraw/zinc/71/83/18/1058718318.db2.gz NDTCGSFPJUTVMS-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180223 1058725540 /nfs/dbraw/zinc/72/55/40/1058725540.db2.gz QPVUDQASSMNVQE-RBUKOAKNSA-N 2 0 324.553 4.262 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246416931 1058917454 /nfs/dbraw/zinc/91/74/54/1058917454.db2.gz VRWLSLCNLWFHDG-MRXNPFEDSA-N 2 0 320.908 4.197 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246457648 1058945304 /nfs/dbraw/zinc/94/53/04/1058945304.db2.gz PIZSXHNEYKCOER-IBGZPJMESA-N 3 0 313.574 4.214 20 30 DIEDRP C=CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492678 1058969345 /nfs/dbraw/zinc/96/93/45/1058969345.db2.gz XLJDFKIGJVNRQK-YPAWHYETSA-N 2 0 320.480 4.257 20 30 DIEDRP C=CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492677 1058972332 /nfs/dbraw/zinc/97/23/32/1058972332.db2.gz XLJDFKIGJVNRQK-FDFHNCONSA-N 2 0 320.480 4.257 20 30 DIEDRP CCCCCCCC[C@H](CCC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246550149 1058998167 /nfs/dbraw/zinc/99/81/67/1058998167.db2.gz JFBAEQPISGIQJK-RBUKOAKNSA-N 2 0 312.542 4.081 20 30 DIEDRP C[NH2+]CC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888034 1059154985 /nfs/dbraw/zinc/15/49/85/1059154985.db2.gz QIRSZTLCXJZBJE-QZTJIDSGSA-N 2 0 321.468 4.119 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933476 1059179930 /nfs/dbraw/zinc/17/99/30/1059179930.db2.gz IVXKQHSAYUXHME-SOUVJXGZSA-N 2 0 308.432 4.337 20 30 DIEDRP C=CCC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246963602 1059207032 /nfs/dbraw/zinc/20/70/32/1059207032.db2.gz HYCKLIBYYWHIJG-WDSOQIARSA-N 2 0 316.489 4.122 20 30 DIEDRP CCCCCCC[C@H](CC)[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC001246971047 1059215004 /nfs/dbraw/zinc/21/50/04/1059215004.db2.gz ZAEUXTNKVXHLLI-IBGZPJMESA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCC[C@@H](CCC)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC001462509803 1061219037 /nfs/dbraw/zinc/21/90/37/1061219037.db2.gz BWCDYJBEDBDYSQ-HXUWFJFHSA-N 2 0 314.517 4.375 20 30 DIEDRP C=CC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462560172 1061260532 /nfs/dbraw/zinc/26/05/32/1061260532.db2.gz AHMLNQKCYJWOIP-ICSRJNTNSA-N 2 0 314.517 4.479 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252982379 1061772018 /nfs/dbraw/zinc/77/20/18/1061772018.db2.gz CNVTZDMUHOVJKU-LJQANCHMSA-N 2 0 314.558 4.200 20 30 DIEDRP C=CC(C)(C)CC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC001474219304 1061777827 /nfs/dbraw/zinc/77/78/27/1061777827.db2.gz ZIQVNANTUFIEMZ-GOSISDBHSA-N 2 0 300.490 4.231 20 30 DIEDRP C#Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001474373507 1062011776 /nfs/dbraw/zinc/01/17/76/1062011776.db2.gz MGYINNABURUBPE-LJQANCHMSA-N 2 0 324.512 4.144 20 30 DIEDRP SCCCCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398778 1062434604 /nfs/dbraw/zinc/43/46/04/1062434604.db2.gz XSLFKWJKKNUBOM-IBGZPJMESA-N 2 0 320.546 4.121 20 30 DIEDRP CCCCCCCC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860620 1063019613 /nfs/dbraw/zinc/01/96/13/1063019613.db2.gz GOJJQLMYCWVYPZ-UHFFFAOYSA-N 2 0 303.494 4.343 20 30 DIEDRP N#Cc1ccc(C2CCC([NH2+]CCCCCCC[NH3+])CC2)cc1 ZINC001257012604 1063081880 /nfs/dbraw/zinc/08/18/80/1063081880.db2.gz KSUFQRFUMVJZHN-UHFFFAOYSA-N 2 0 313.489 4.083 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CC[NH+](CC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257890684 1063428808 /nfs/dbraw/zinc/42/88/08/1063428808.db2.gz VOSKCDPFRUNTFC-JJTKIYQPSA-N 2 0 304.522 4.221 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001258049675 1063481827 /nfs/dbraw/zinc/48/18/27/1063481827.db2.gz MOKSEMVDVGNUIH-SFHVURJKSA-N 2 0 324.553 4.311 20 30 DIEDRP C=CCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723670 1063777277 /nfs/dbraw/zinc/77/72/77/1063777277.db2.gz BSTAYDCVNZMYET-WDSOQIARSA-N 2 0 316.489 4.122 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000700345529 1064211194 /nfs/dbraw/zinc/21/11/94/1064211194.db2.gz CSCXMIQJGHYWHH-IZCSPVGOSA-N 2 0 324.512 4.233 20 30 DIEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1Cl ZINC000559891615 332289842 /nfs/dbraw/zinc/28/98/42/332289842.db2.gz DPGDGCBAUUKAGV-HNNXBMFYSA-N 2 0 319.880 4.128 20 30 DIEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340446013 334203492 /nfs/dbraw/zinc/20/34/92/334203492.db2.gz MYHNEMWQMPOFCX-LJQANCHMSA-N 2 0 313.489 4.274 20 30 DIEDRP C=CC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000346169258 335384663 /nfs/dbraw/zinc/38/46/63/335384663.db2.gz ISYJMDBRNGZVOI-UHFFFAOYSA-N 2 0 309.438 4.122 20 30 DIEDRP C=CCN1CCC([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000177914286 337158942 /nfs/dbraw/zinc/15/89/42/337158942.db2.gz FQMUUHBVBCDOHA-KRWDZBQOSA-N 2 0 321.468 4.050 20 30 DIEDRP C=CCC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422992220 337693958 /nfs/dbraw/zinc/69/39/58/337693958.db2.gz CHEHQOJTJPJFRZ-UZLBHIALSA-N 2 0 309.457 4.207 20 30 DIEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423122003 337700483 /nfs/dbraw/zinc/70/04/83/337700483.db2.gz BSJHBDSVFAEHLB-YZGWKJHDSA-N 2 0 313.489 4.322 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540594700 340937335 /nfs/dbraw/zinc/93/73/35/340937335.db2.gz XSQNBQUZCBNAAW-UXPWSPDFSA-N 2 0 313.489 4.109 20 30 DIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181609257 519629476 /nfs/dbraw/zinc/62/94/76/519629476.db2.gz QSNYUXCBZXCZGF-KRWDZBQOSA-N 2 0 321.468 4.249 20 30 DIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000181609275 519629627 /nfs/dbraw/zinc/62/96/27/519629627.db2.gz QSNYUXCBZXCZGF-QGZVFWFLSA-N 2 0 321.468 4.249 20 30 DIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181495373 519630965 /nfs/dbraw/zinc/63/09/65/519630965.db2.gz KHZHDRKWZUALCP-KRWDZBQOSA-N 2 0 321.468 4.249 20 30 DIEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000181437161 525533480 /nfs/dbraw/zinc/53/34/80/525533480.db2.gz WHLRXGIKNTWAIJ-QGZVFWFLSA-N 2 0 319.452 4.005 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246086540 1058669469 /nfs/dbraw/zinc/66/94/69/1058669469.db2.gz DGIQLAMARPVYQV-CVEARBPZSA-N 2 0 304.469 4.350 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208683 1036062318 /nfs/dbraw/zinc/06/23/18/1036062318.db2.gz XTOVOMKKLVRUPM-LEWJYISDSA-N 2 0 312.501 4.187 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646792 1039079023 /nfs/dbraw/zinc/07/90/23/1039079023.db2.gz GSKJDLNHYOJYMF-SFTDATJTSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657909906 1040122593 /nfs/dbraw/zinc/12/25/93/1040122593.db2.gz QBEHYCMTCDNXMK-UYAOXDASSA-N 2 0 313.489 4.023 20 30 DIEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000423294994 1042706292 /nfs/dbraw/zinc/70/62/92/1042706292.db2.gz WANSZHXYLONPDN-BTYIYWSLSA-N 2 0 319.452 4.135 20 30 DIEDRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167970422 1042961566 /nfs/dbraw/zinc/96/15/66/1042961566.db2.gz KLMACNMDMFOFRK-OTYNDTSQSA-N 2 0 323.484 4.004 20 30 DIEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000173899424 1043054987 /nfs/dbraw/zinc/05/49/87/1043054987.db2.gz RPAXSCLKFISWID-QGZVFWFLSA-N 2 0 319.452 4.005 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564718468 1044400402 /nfs/dbraw/zinc/40/04/02/1044400402.db2.gz JHHAXDBCNIPLLE-PKOBYXMFSA-N 2 0 300.490 4.089 20 30 DIEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc(C#N)c1 ZINC000886535057 1044656789 /nfs/dbraw/zinc/65/67/89/1044656789.db2.gz UBMZSXNVUSELPI-DZIBYMRMSA-N 2 0 311.473 4.006 20 30 DIEDRP C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519895 1045016390 /nfs/dbraw/zinc/01/63/90/1045016390.db2.gz UHYYMLGSCYRBQW-ZWKOTPCHSA-N 2 0 317.521 4.093 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001258041099 1045125130 /nfs/dbraw/zinc/12/51/30/1045125130.db2.gz MAVILIPIVSGIED-QGZVFWFLSA-N 2 0 313.574 4.211 20 30 DIEDRP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525849 1045135414 /nfs/dbraw/zinc/13/54/14/1045135414.db2.gz ABOWFDIVCWANPN-FQEVSTJZSA-N 2 0 313.489 4.254 20 30 DIEDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447541646 1045143808 /nfs/dbraw/zinc/14/38/08/1045143808.db2.gz NCMAFRXHSXSAHM-FXAWDEMLSA-N 2 0 313.489 4.111 20 30 DIEDRP C=CCC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034221 1045200496 /nfs/dbraw/zinc/20/04/96/1045200496.db2.gz WPFDWDKDJDGTLR-VQTJNVASSA-N 2 0 324.468 4.399 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000449209782 1045361038 /nfs/dbraw/zinc/36/10/38/1045361038.db2.gz QBGPNPHWBAEFKL-MSOLQXFVSA-N 2 0 315.505 4.332 20 30 DIEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000120728804 1047498779 /nfs/dbraw/zinc/49/87/79/1047498779.db2.gz QTOWDGGJSJOHJG-LJQANCHMSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000120737764 1047500121 /nfs/dbraw/zinc/50/01/21/1047500121.db2.gz CPRGYNASVSMPRH-LPHOPBHVSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000121351525 1047518235 /nfs/dbraw/zinc/51/82/35/1047518235.db2.gz HZZLBGZNUITMKP-ZIFCJYIRSA-N 2 0 318.530 4.465 20 30 DIEDRP C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147683 1047660187 /nfs/dbraw/zinc/66/01/87/1047660187.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 2 0 300.490 4.185 20 30 DIEDRP CC[NH+](CC)CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001184336517 1048030937 /nfs/dbraw/zinc/03/09/37/1048030937.db2.gz ACNDWRKJZGITMH-LYBXBRPPSA-N 2 0 313.489 4.132 20 30 DIEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001199295157 1048054877 /nfs/dbraw/zinc/05/48/77/1048054877.db2.gz FWFKGUJOOTUTCX-PXNSSMCTSA-N 2 0 300.490 4.361 20 30 DIEDRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000776157468 1048243973 /nfs/dbraw/zinc/24/39/73/1048243973.db2.gz RQIQEPCTGJSZJM-GOSISDBHSA-N 2 0 313.489 4.255 20 30 DIEDRP C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775409541 1048783833 /nfs/dbraw/zinc/78/38/33/1048783833.db2.gz NVBHHEHCMAQONJ-HOTGVXAUSA-N 2 0 304.478 4.152 20 30 DIEDRP C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775411913 1048785475 /nfs/dbraw/zinc/78/54/75/1048785475.db2.gz YKUCXJCTTVBGOF-DLBZAZTESA-N 2 0 316.489 4.296 20 30 DIEDRP CCCCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233688 1048906260 /nfs/dbraw/zinc/90/62/60/1048906260.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 2 0 302.506 4.411 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001177669377 1048927365 /nfs/dbraw/zinc/92/73/65/1048927365.db2.gz XDFPOJJORRSVLI-HOJAQTOUSA-N 2 0 304.522 4.366 20 30 DIEDRP CC#CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194940850 1049452482 /nfs/dbraw/zinc/45/24/82/1049452482.db2.gz BPIVVZCXJMIXGB-JOCHJYFZSA-N 2 0 324.512 4.167 20 30 DIEDRP C=CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960150 1050029710 /nfs/dbraw/zinc/02/97/10/1050029710.db2.gz UOYFRCJVENVKNY-HXUWFJFHSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCCCC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209200813 1050043626 /nfs/dbraw/zinc/04/36/26/1050043626.db2.gz PCARCDOBFWUKLO-UHFFFAOYSA-N 2 0 318.530 4.392 20 30 DIEDRP C=CC[N@H+](Cc1cccs1)Cc1ccc(-n2ccnc2)cc1 ZINC000057621105 1050103842 /nfs/dbraw/zinc/10/38/42/1050103842.db2.gz KZKWIQUPXRZQJQ-UHFFFAOYSA-N 2 0 309.438 4.122 20 30 DIEDRP CC1(C#N)CCC([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000823812936 1050155904 /nfs/dbraw/zinc/15/59/04/1050155904.db2.gz RONPIQGONZHPKQ-UHFFFAOYSA-N 2 0 305.510 4.095 20 30 DIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000591582464 1050178554 /nfs/dbraw/zinc/17/85/54/1050178554.db2.gz JKKQIEIWWZPZJA-SFTDATJTSA-N 2 0 319.452 4.005 20 30 DIEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635569 1050773201 /nfs/dbraw/zinc/77/32/01/1050773201.db2.gz CQBDZAKPUGAXJT-JKSUJKDBSA-N 2 0 302.453 4.056 20 30 DIEDRP C=CCCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000790494236 1050962996 /nfs/dbraw/zinc/96/29/96/1050962996.db2.gz ATXZBKKWSLGOHE-KRWDZBQOSA-N 2 0 316.489 4.298 20 30 DIEDRP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657322 1051356494 /nfs/dbraw/zinc/35/64/94/1051356494.db2.gz SBLKKHMKGCUZAE-KNQAVFIVSA-N 2 0 320.480 4.343 20 30 DIEDRP C=CCOC1CCC([NH2+]CCC[NH+](CCCC)CCCC)CC1 ZINC001173313506 1051683726 /nfs/dbraw/zinc/68/37/26/1051683726.db2.gz YYHMTRUULBCXGB-UHFFFAOYSA-N 2 0 324.553 4.382 20 30 DIEDRP C=CCOC1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173319124 1051714072 /nfs/dbraw/zinc/71/40/72/1051714072.db2.gz ZBTFRKQASSOAPT-POSCCBCBSA-N 2 0 322.537 4.118 20 30 DIEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495421925 1052343390 /nfs/dbraw/zinc/34/33/90/1052343390.db2.gz WNEIFARQINTUSU-SXLOBPIMSA-N 2 0 300.490 4.231 20 30 DIEDRP CCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595579 1052514846 /nfs/dbraw/zinc/51/48/46/1052514846.db2.gz DEGKBNGRHHKTMV-IBGZPJMESA-N 2 0 300.490 4.036 20 30 DIEDRP C=CCCC[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000126328411 1052668827 /nfs/dbraw/zinc/66/88/27/1052668827.db2.gz KNOCSPODYSFOEQ-SFHVURJKSA-N 2 0 300.490 4.028 20 30 DIEDRP C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235088674 1054654328 /nfs/dbraw/zinc/65/43/28/1054654328.db2.gz NVKGLKIDAFSXGO-KRWDZBQOSA-N 2 0 314.464 4.224 20 30 DIEDRP CCCCCCC/C=C/C[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235295998 1054696922 /nfs/dbraw/zinc/69/69/22/1054696922.db2.gz TWXHSGFJBMBFIL-CMDGGOBGSA-N 2 0 322.537 4.136 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC1 ZINC001236457045 1055125427 /nfs/dbraw/zinc/12/54/27/1055125427.db2.gz JFXYJJQCTPNGCJ-GOSISDBHSA-N 2 0 304.522 4.389 20 30 DIEDRP C=CCCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481054 1055138813 /nfs/dbraw/zinc/13/88/13/1055138813.db2.gz NLOPGOIDOMTXOJ-UHFFFAOYSA-N 2 0 304.453 4.044 20 30 DIEDRP C=CCCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509133 1055152897 /nfs/dbraw/zinc/15/28/97/1055152897.db2.gz HBWINWASLJTRLZ-UHFFFAOYSA-N 2 0 304.453 4.044 20 30 DIEDRP C=CCCCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516555 1055156199 /nfs/dbraw/zinc/15/61/99/1055156199.db2.gz FYTDQIQFHILVOM-UHFFFAOYSA-N 2 0 318.480 4.435 20 30 DIEDRP CCCCCCCCC[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554262 1055181885 /nfs/dbraw/zinc/18/18/85/1055181885.db2.gz XQDJOCCQRSCVGR-WGSAOQKQSA-N 2 0 324.553 4.488 20 30 DIEDRP C#Cc1cccc(C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236567970 1055188695 /nfs/dbraw/zinc/18/86/95/1055188695.db2.gz SIZLTWAMAGJHNA-XUTJKUGGSA-N 2 0 310.485 4.073 20 30 DIEDRP C#Cc1cccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236758035 1055250847 /nfs/dbraw/zinc/25/08/47/1055250847.db2.gz AXNAGXBLPIFCBX-HZCBDIJESA-N 2 0 324.512 4.320 20 30 DIEDRP C=CCCCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001616996691 1056757663 /nfs/dbraw/zinc/75/76/63/1056757663.db2.gz ALIFXQYKNPQLFE-KXTWHKPSSA-N 2 0 314.517 4.479 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639095 1057490851 /nfs/dbraw/zinc/49/08/51/1057490851.db2.gz FWZVTPVWCFIYFZ-FPOVZHCZSA-N 2 0 312.501 4.233 20 30 DIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(C[NH2+]C)c2)cc1 ZINC001242999727 1057540969 /nfs/dbraw/zinc/54/09/69/1057540969.db2.gz UQEWBYLMWQMDIM-OAQYLSRUSA-N 2 0 306.453 4.396 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001245972552 1058653234 /nfs/dbraw/zinc/65/32/34/1058653234.db2.gz FHFLADBMWWJTPC-HXUWFJFHSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025711 1058655969 /nfs/dbraw/zinc/65/59/69/1058655969.db2.gz ZIJZINYKOSDVPD-RTBURBONSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCCCCC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC001246013573 1058657096 /nfs/dbraw/zinc/65/70/96/1058657096.db2.gz HLMNBWNQZJHUTL-IBGZPJMESA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCC[C@H](O)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071297 1058663073 /nfs/dbraw/zinc/66/30/73/1058663073.db2.gz RNRTVJAXGCRGHT-IHPCNDPISA-N 2 0 324.553 4.222 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124838 1058687734 /nfs/dbraw/zinc/68/77/34/1058687734.db2.gz GQLVNJVRBOBHFE-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246130339 1058690035 /nfs/dbraw/zinc/69/00/35/1058690035.db2.gz GABDQVOPWPDDJP-OALUTQOASA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001246138400 1058692982 /nfs/dbraw/zinc/69/29/82/1058692982.db2.gz ZTIYGTWFKBZWHD-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246137052 1058693050 /nfs/dbraw/zinc/69/30/50/1058693050.db2.gz HQLBBJNQOABXNL-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001246137038 1058693510 /nfs/dbraw/zinc/69/35/10/1058693510.db2.gz UDLBKJLOSHNGQT-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246134056 1058693531 /nfs/dbraw/zinc/69/35/31/1058693531.db2.gz LDBNEXWUIKDILB-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246134971 1058693597 /nfs/dbraw/zinc/69/35/97/1058693597.db2.gz WMSSPOJFJSXZSH-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246133851 1058693651 /nfs/dbraw/zinc/69/36/51/1058693651.db2.gz KGDZZQDCYHLJAA-INIZCTEOSA-N 2 0 321.509 4.185 20 30 DIEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246138402 1058693737 /nfs/dbraw/zinc/69/37/37/1058693737.db2.gz ZTIYGTWFKBZWHD-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246146700 1058697158 /nfs/dbraw/zinc/69/71/58/1058697158.db2.gz HBMPTSFSXOCMBR-SLFFLAALSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246149859 1058698399 /nfs/dbraw/zinc/69/83/99/1058698399.db2.gz VFTOUAZSUVMBMK-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001246148585 1058698736 /nfs/dbraw/zinc/69/87/36/1058698736.db2.gz FZGADYQGVTZXJQ-VNTMZGSJSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001246148582 1058699589 /nfs/dbraw/zinc/69/95/89/1058699589.db2.gz FZGADYQGVTZXJQ-HAGHYFMRSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246149856 1058700205 /nfs/dbraw/zinc/70/02/05/1058700205.db2.gz VFTOUAZSUVMBMK-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246159110 1058702844 /nfs/dbraw/zinc/70/28/44/1058702844.db2.gz XPBNOYQKJDEOFD-SLFFLAALSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246171356 1058717122 /nfs/dbraw/zinc/71/71/22/1058717122.db2.gz JJRUJRBZQCVMAZ-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246174429 1058720654 /nfs/dbraw/zinc/72/06/54/1058720654.db2.gz KVUXLCIJSAGTEL-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246181932 1058726896 /nfs/dbraw/zinc/72/68/96/1058726896.db2.gz SUYWWJWKOFCGBT-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@@H](CCC)N(C(N)=[NH2+])C1CC[NH2+]CC1 ZINC001246199401 1058741961 /nfs/dbraw/zinc/74/19/61/1058741961.db2.gz VVWGKQJECZTCNC-QGZVFWFLSA-N 2 0 324.557 4.243 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246254281 1058773224 /nfs/dbraw/zinc/77/32/24/1058773224.db2.gz GMYDVLIRTQIRJJ-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246255369 1058773685 /nfs/dbraw/zinc/77/36/85/1058773685.db2.gz JECXXQQKJQREMY-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CC[C@@H]1CC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246300425 1058812282 /nfs/dbraw/zinc/81/22/82/1058812282.db2.gz NUFOTBOOGCPGHP-QWFCFKBJSA-N 2 0 313.489 4.154 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246390423 1058891391 /nfs/dbraw/zinc/89/13/91/1058891391.db2.gz LTDPRYHRNFTJLQ-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]CC1(c2cccnc2)CC[NH2+]CC1 ZINC001246421892 1058917439 /nfs/dbraw/zinc/91/74/39/1058917439.db2.gz FWVBLFFNWSBBSX-SFHVURJKSA-N 2 0 317.521 4.041 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]CC1(c2ccccn2)CC[NH2+]CC1 ZINC001246425368 1058922819 /nfs/dbraw/zinc/92/28/19/1058922819.db2.gz ARJNKJFZZCIPRH-GOSISDBHSA-N 2 0 317.521 4.041 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246454970 1058941754 /nfs/dbraw/zinc/94/17/54/1058941754.db2.gz CKGMOYAKPXFCMB-IBGZPJMESA-N 3 0 313.574 4.070 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246457649 1058943689 /nfs/dbraw/zinc/94/36/89/1058943689.db2.gz PIZSXHNEYKCOER-LJQANCHMSA-N 3 0 313.574 4.214 20 30 DIEDRP C=CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492675 1058972037 /nfs/dbraw/zinc/97/20/37/1058972037.db2.gz XLJDFKIGJVNRQK-BHIFYINESA-N 2 0 320.480 4.257 20 30 DIEDRP N#CCC1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246593804 1059015562 /nfs/dbraw/zinc/01/55/62/1059015562.db2.gz IFZLVYLULWLORN-UHFFFAOYSA-N 2 0 317.521 4.095 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246638293 1059042896 /nfs/dbraw/zinc/04/28/96/1059042896.db2.gz LKBALMSYAVDMBX-IRXDYDNUSA-N 2 0 316.480 4.446 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794943 1059098812 /nfs/dbraw/zinc/09/88/12/1059098812.db2.gz LHGYXTKKISELTQ-OALUTQOASA-N 2 0 300.490 4.374 20 30 DIEDRP CCCCCCCCCCCC[N@H+](C)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246863248 1059138682 /nfs/dbraw/zinc/13/86/82/1059138682.db2.gz YBWYCVGIEGWDGY-LJQANCHMSA-N 2 0 324.553 4.360 20 30 DIEDRP C[NH2+]CC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888039 1059156090 /nfs/dbraw/zinc/15/60/90/1059156090.db2.gz QIRSZTLCXJZBJE-ZWKOTPCHSA-N 2 0 321.468 4.119 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951622 1059195960 /nfs/dbraw/zinc/19/59/60/1059195960.db2.gz MTSDOCCPVZUMAZ-MRXNPFEDSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCC[C@@H](CC)[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949808 1059196616 /nfs/dbraw/zinc/19/66/16/1059196616.db2.gz LTQOYGIRFWBLBP-GOSISDBHSA-N 2 0 312.542 4.216 20 30 DIEDRP CCCCCCC[C@H](C)[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955901 1059201222 /nfs/dbraw/zinc/20/12/22/1059201222.db2.gz VJGZMIFIKKBKNL-SFHVURJKSA-N 2 0 317.521 4.385 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246963599 1059207715 /nfs/dbraw/zinc/20/77/15/1059207715.db2.gz HYCKLIBYYWHIJG-BHIYHBOVSA-N 2 0 316.489 4.122 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246969168 1059209658 /nfs/dbraw/zinc/20/96/58/1059209658.db2.gz USDAIMZJWQKSFE-RTBURBONSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246969821 1059209793 /nfs/dbraw/zinc/20/97/93/1059209793.db2.gz WFZJTGCUZACKFS-RTBURBONSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246966205 1059212303 /nfs/dbraw/zinc/21/23/03/1059212303.db2.gz IMLRQUUXVUNRCJ-RBUKOAKNSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246969165 1059212580 /nfs/dbraw/zinc/21/25/80/1059212580.db2.gz USDAIMZJWQKSFE-MOPGFXCFSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246978668 1059222985 /nfs/dbraw/zinc/22/29/85/1059222985.db2.gz VHQFUZYYLZLFAM-WOJBJXKFSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560963656 1060830685 /nfs/dbraw/zinc/83/06/85/1060830685.db2.gz UEDGTEUWGQZRJS-UYAOXDASSA-N 2 0 314.517 4.479 20 30 DIEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462508544 1061220542 /nfs/dbraw/zinc/22/05/42/1061220542.db2.gz OCBBIUSDDLMEFD-RLLQIKCJSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462560171 1061262489 /nfs/dbraw/zinc/26/24/89/1061262489.db2.gz AHMLNQKCYJWOIP-AZUAARDMSA-N 2 0 314.517 4.479 20 30 DIEDRP CCCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001252138933 1061596472 /nfs/dbraw/zinc/59/64/72/1061596472.db2.gz GFGSFPLBAXRJTF-FQEVSTJZSA-N 2 0 324.553 4.095 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252987708 1061780107 /nfs/dbraw/zinc/78/01/07/1061780107.db2.gz VYZDBMBBOJNZRC-YRPNKDGESA-N 2 0 324.553 4.093 20 30 DIEDRP C#CCCCCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001459307378 1062075115 /nfs/dbraw/zinc/07/51/15/1062075115.db2.gz NVLKDNFCYJOSHT-UHFFFAOYSA-N 2 0 304.522 4.158 20 30 DIEDRP C#CCCCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174733 /nfs/dbraw/zinc/17/47/33/1062174733.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 2 0 304.522 4.157 20 30 DIEDRP C#CCCCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176303 /nfs/dbraw/zinc/17/63/03/1062176303.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 2 0 304.522 4.157 20 30 DIEDRP C#CCCCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177063 /nfs/dbraw/zinc/17/70/63/1062177063.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 2 0 304.522 4.157 20 30 DIEDRP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001255136031 1062330565 /nfs/dbraw/zinc/33/05/65/1062330565.db2.gz LQILGALFCGTBDR-WKCHPHFGSA-N 2 0 322.496 4.108 20 30 DIEDRP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H]1C ZINC001255157841 1062346242 /nfs/dbraw/zinc/34/62/42/1062346242.db2.gz XCLWBMIZQJUSGA-BCNVYZLRSA-N 2 0 319.537 4.227 20 30 DIEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCC1(C#N)CCCCC1 ZINC001460695001 1062993359 /nfs/dbraw/zinc/99/33/59/1062993359.db2.gz XBMMWAQGMMWYGU-UHFFFAOYSA-N 2 0 305.510 4.048 20 30 DIEDRP C=C1C[C@@H]2CC([N@@H+](C)CC3CC[NH+](C(C)C)CC3)C[C@H](C1)C2 ZINC001257893696 1063430788 /nfs/dbraw/zinc/43/07/88/1063430788.db2.gz XWKRNDSRPYCYFQ-YOFSQIOKSA-N 2 0 304.522 4.174 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001258722373 1063776361 /nfs/dbraw/zinc/77/63/61/1063776361.db2.gz HDJUUWMQFJSGCT-HNNXBMFYSA-N 2 0 306.881 4.031 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724225 1063778165 /nfs/dbraw/zinc/77/81/65/1063778165.db2.gz QNCAPXBPBMFGIX-MISYRCLQSA-N 2 0 300.490 4.422 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001258723948 1063778851 /nfs/dbraw/zinc/77/88/51/1063778851.db2.gz JNUSDAVYQZSMEQ-OAHLLOKOSA-N 2 0 306.881 4.031 20 30 DIEDRP CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1cccc(C#N)c1 ZINC001258902150 1063876979 /nfs/dbraw/zinc/87/69/79/1063876979.db2.gz ATDGKJUDKKLKIC-QFBILLFUSA-N 2 0 301.478 4.109 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)CC1 ZINC001279490952 1064352831 /nfs/dbraw/zinc/35/28/31/1064352831.db2.gz VORBGVYHXHCKHH-LJQANCHMSA-N 2 0 302.506 4.097 20 30 DIEDRP CC[NH+](CC)CCCC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001307678794 1065559656 /nfs/dbraw/zinc/55/96/56/1065559656.db2.gz JDXIIAAOPBWZHZ-UHFFFAOYSA-N 2 0 319.537 4.150 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308488692 1066022797 /nfs/dbraw/zinc/02/27/97/1066022797.db2.gz PTEGLQHGXRMVBM-ZSXPUABSSA-N 2 0 312.501 4.089 20 30 DIEDRP C=C1CCC(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC001308512901 1066039529 /nfs/dbraw/zinc/03/95/29/1066039529.db2.gz KXVDMVAMZSTSFP-UHFFFAOYSA-N 2 0 314.517 4.481 20 30 DIEDRP C#CCCCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308644882 1066135190 /nfs/dbraw/zinc/13/51/90/1066135190.db2.gz XDNNPBBXFIGANI-CTNGQTDRSA-N 2 0 312.501 4.070 20 30 DIEDRP CC(C)(C#N)CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000409447948 332033561 /nfs/dbraw/zinc/03/35/61/332033561.db2.gz KGLYYWXVIKLAHN-UHFFFAOYSA-N 2 0 319.537 4.294 20 30 DIEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1Cl ZINC000559891623 332289941 /nfs/dbraw/zinc/28/99/41/332289941.db2.gz DPGDGCBAUUKAGV-OAHLLOKOSA-N 2 0 319.880 4.128 20 30 DIEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340446012 334203474 /nfs/dbraw/zinc/20/34/74/334203474.db2.gz MYHNEMWQMPOFCX-IBGZPJMESA-N 2 0 313.489 4.274 20 30 DIEDRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447542277 338555772 /nfs/dbraw/zinc/55/57/72/338555772.db2.gz OJPBRFHOUAKTMR-HXUWFJFHSA-N 2 0 313.489 4.111 20 30 DIEDRP C=CCCCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463278760 339113019 /nfs/dbraw/zinc/11/30/19/339113019.db2.gz WWKLYKSNFVGATO-UHFFFAOYSA-N 2 0 306.881 4.250 20 30 DIEDRP C=CCCCCCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209442362 1036187351 /nfs/dbraw/zinc/18/73/51/1036187351.db2.gz QPCATZXNEUKVMN-UHFFFAOYSA-N 2 0 310.501 4.411 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000602513349 1038030129 /nfs/dbraw/zinc/03/01/29/1038030129.db2.gz CBYNGDKLLZSMFT-MSOLQXFVSA-N 2 0 313.489 4.090 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000602513354 1038031766 /nfs/dbraw/zinc/03/17/66/1038031766.db2.gz CBYNGDKLLZSMFT-ROUUACIJSA-N 2 0 313.489 4.090 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](C[C@@H](C)CCC#N)CC1)CC(C)C ZINC000602665045 1038063355 /nfs/dbraw/zinc/06/33/55/1038063355.db2.gz XTGCQVKDJSTLQE-SFHVURJKSA-N 2 0 307.526 4.006 20 30 DIEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000539608576 1038580729 /nfs/dbraw/zinc/58/07/29/1038580729.db2.gz SAQJQDBSCUTZED-MRXNPFEDSA-N 2 0 317.452 4.004 20 30 DIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000158881213 1039602246 /nfs/dbraw/zinc/60/22/46/1039602246.db2.gz IMTDRRMWKLNZQD-SFHVURJKSA-N 2 0 319.537 4.293 20 30 DIEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492329140 1039950333 /nfs/dbraw/zinc/95/03/33/1039950333.db2.gz LILUBLLKBSNGKO-CMKODMSKSA-N 2 0 300.490 4.231 20 30 DIEDRP C=C(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205212 1040111037 /nfs/dbraw/zinc/11/10/37/1040111037.db2.gz CPXMTWMJWBHYII-UGKGYDQZSA-N 2 0 320.480 4.200 20 30 DIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000817979973 1042135776 /nfs/dbraw/zinc/13/57/76/1042135776.db2.gz GUBGXKQURMPEMY-WBVHZDCISA-N 2 0 322.880 4.001 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107996 1042249323 /nfs/dbraw/zinc/24/93/23/1042249323.db2.gz BQPDLBHUMVHHIP-HUUCEWRRSA-N 2 0 308.432 4.257 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107981 1042249653 /nfs/dbraw/zinc/24/96/53/1042249653.db2.gz BQPDLBHUMVHHIP-CABCVRRESA-N 2 0 308.432 4.257 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107999 1042249789 /nfs/dbraw/zinc/24/97/89/1042249789.db2.gz BQPDLBHUMVHHIP-LSDHHAIUSA-N 2 0 308.432 4.257 20 30 DIEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029552 1042696185 /nfs/dbraw/zinc/69/61/85/1042696185.db2.gz IIZYNFRRXSILRB-IAGOWNOFSA-N 2 0 321.468 4.393 20 30 DIEDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423034404 1042696387 /nfs/dbraw/zinc/69/63/87/1042696387.db2.gz PTVYCDLGYZYOHC-HOTGVXAUSA-N 2 0 307.441 4.003 20 30 DIEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000423294997 1042705680 /nfs/dbraw/zinc/70/56/80/1042705680.db2.gz WANSZHXYLONPDN-YCRPNKLZSA-N 2 0 319.452 4.135 20 30 DIEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000423294995 1042706324 /nfs/dbraw/zinc/70/63/24/1042706324.db2.gz WANSZHXYLONPDN-QVKFZJNVSA-N 2 0 319.452 4.135 20 30 DIEDRP C=CC[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001766 1043196586 /nfs/dbraw/zinc/19/65/86/1043196586.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 2 0 302.506 4.213 20 30 DIEDRP C#CC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635278 1043440734 /nfs/dbraw/zinc/44/07/34/1043440734.db2.gz PQUBMOUTRAOHTJ-DYESRHJHSA-N 2 0 306.453 4.163 20 30 DIEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCCC1(C#N)CCC1 ZINC000931703211 1044063328 /nfs/dbraw/zinc/06/33/28/1044063328.db2.gz GZNKDYCQOFVTCG-UHFFFAOYSA-N 2 0 305.510 4.048 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564718466 1044399537 /nfs/dbraw/zinc/39/95/37/1044399537.db2.gz JHHAXDBCNIPLLE-IEBWSBKVSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564718467 1044400284 /nfs/dbraw/zinc/40/02/84/1044400284.db2.gz JHHAXDBCNIPLLE-MJGOQNOKSA-N 2 0 300.490 4.089 20 30 DIEDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447535582 1045140894 /nfs/dbraw/zinc/14/08/94/1045140894.db2.gz HFSJVUIZIIBQIZ-XLIONFOSSA-N 2 0 313.489 4.254 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](CCCC(C)(C)C#N)CC1)CC1CC1 ZINC000537845283 1047639720 /nfs/dbraw/zinc/63/97/20/1047639720.db2.gz DGKCNVXJTICFHS-UHFFFAOYSA-N 2 0 319.537 4.150 20 30 DIEDRP C=C(C)CN1CCC([NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538099989 1047656975 /nfs/dbraw/zinc/65/69/75/1047656975.db2.gz ABQVAYKGYHXURF-FQEVSTJZSA-N 2 0 316.464 4.215 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000538394293 1047674405 /nfs/dbraw/zinc/67/44/05/1047674405.db2.gz VFXAHIVUCZYUTN-VDGAXYAQSA-N 2 0 313.489 4.109 20 30 DIEDRP C=CCCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccccc1 ZINC001183551471 1047941701 /nfs/dbraw/zinc/94/17/01/1047941701.db2.gz RMMHYLRCTRPORN-HXUWFJFHSA-N 2 0 300.490 4.406 20 30 DIEDRP C=CC[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC001190589649 1048762488 /nfs/dbraw/zinc/76/24/88/1048762488.db2.gz RFAGUFDFEHRDOU-UHFFFAOYSA-N 2 0 314.517 4.228 20 30 DIEDRP C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775409540 1048784117 /nfs/dbraw/zinc/78/41/17/1048784117.db2.gz NVBHHEHCMAQONJ-CVEARBPZSA-N 2 0 304.478 4.152 20 30 DIEDRP C=CC[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001181044592 1049431469 /nfs/dbraw/zinc/43/14/69/1049431469.db2.gz WBUATALCFSTUGY-FQEVSTJZSA-N 2 0 300.490 4.043 20 30 DIEDRP CCCCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734282 1049546713 /nfs/dbraw/zinc/54/67/13/1049546713.db2.gz DBEVVMRSLSOJMW-INIZCTEOSA-N 2 0 304.469 4.433 20 30 DIEDRP C=CCCC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209162143 1050040880 /nfs/dbraw/zinc/04/08/80/1050040880.db2.gz RVKBWKQMYXKSQM-UHFFFAOYSA-N 2 0 304.503 4.002 20 30 DIEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161179 1050041113 /nfs/dbraw/zinc/04/11/13/1050041113.db2.gz INTYTAKJLUFOSX-UHOSZYNNSA-N 2 0 318.530 4.247 20 30 DIEDRP C=CCCCC[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209199746 1050043985 /nfs/dbraw/zinc/04/39/85/1050043985.db2.gz AFMAUYVBNSYRSR-IBGZPJMESA-N 2 0 316.489 4.312 20 30 DIEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555753 1050541009 /nfs/dbraw/zinc/54/10/09/1050541009.db2.gz HQSLYGHKYOTHQT-HOTGVXAUSA-N 2 0 304.469 4.432 20 30 DIEDRP CCC#C[C@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001171641769 1051196994 /nfs/dbraw/zinc/19/69/94/1051196994.db2.gz NLLJTNHNXMUWLF-FQEVSTJZSA-N 2 0 324.512 4.167 20 30 DIEDRP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068285 1051288469 /nfs/dbraw/zinc/28/84/69/1051288469.db2.gz PZACPLPIVZNANZ-WKCHPHFGSA-N 2 0 324.512 4.354 20 30 DIEDRP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068281 1051289162 /nfs/dbraw/zinc/28/91/62/1051289162.db2.gz PZACPLPIVZNANZ-MZADTFQBSA-N 2 0 324.512 4.354 20 30 DIEDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172507447 1051425238 /nfs/dbraw/zinc/42/52/38/1051425238.db2.gz URDGMRZXGSIMPP-SFHVURJKSA-N 2 0 313.489 4.055 20 30 DIEDRP CCC(CC)[N@@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173334209 1051696713 /nfs/dbraw/zinc/69/67/13/1051696713.db2.gz UJZVPWWZQPEGFZ-CTPABKKDSA-N 2 0 305.510 4.219 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000100019579 1053298982 /nfs/dbraw/zinc/29/89/82/1053298982.db2.gz PVDQBIRQBQYESL-LJQANCHMSA-N 2 0 318.505 4.207 20 30 DIEDRP N#CCC[N@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001235662982 1054763203 /nfs/dbraw/zinc/76/32/03/1054763203.db2.gz GIMPTLOSXVPXBF-UHFFFAOYSA-N 2 0 317.521 4.095 20 30 DIEDRP C=CCCCCCCC[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553827 1055181334 /nfs/dbraw/zinc/18/13/34/1055181334.db2.gz TUGIRNLOTFUESO-WGSAOQKQSA-N 2 0 322.537 4.264 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000675783474 1057414277 /nfs/dbraw/zinc/41/42/77/1057414277.db2.gz ICMCFJCYZPZECR-UWJYYQICSA-N 2 0 312.501 4.333 20 30 DIEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256435 1057587672 /nfs/dbraw/zinc/58/76/72/1057587672.db2.gz PTBBFBRHNJAUDW-QGZVFWFLSA-N 2 0 321.468 4.203 20 30 DIEDRP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014330 1058657235 /nfs/dbraw/zinc/65/72/35/1058657235.db2.gz LFUVVZJEHARDTQ-RBUKOAKNSA-N 2 0 324.553 4.142 20 30 DIEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014324 1058657351 /nfs/dbraw/zinc/65/73/51/1058657351.db2.gz LFUVVZJEHARDTQ-MOPGFXCFSA-N 2 0 324.553 4.142 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063563 1058658795 /nfs/dbraw/zinc/65/87/95/1058658795.db2.gz KTPXXDNJSTXQJR-FHWLQOOXSA-N 2 0 312.542 4.080 20 30 DIEDRP CCCCCCCC[C@H](O)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067626 1058659444 /nfs/dbraw/zinc/65/94/44/1058659444.db2.gz GBEJMDJUQDLSKZ-UFYCRDLUSA-N 2 0 324.553 4.080 20 30 DIEDRP CCCCCCCCCCCC[C@H](O)C[NH+]1CC2(CC([NH3+])C2)C1 ZINC001246045607 1058660662 /nfs/dbraw/zinc/66/06/62/1058660662.db2.gz NKDUOFUYYOIRSI-IBGZPJMESA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246129285 1058689190 /nfs/dbraw/zinc/68/91/90/1058689190.db2.gz DNSQIFBMMNYPMD-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129468 1058689582 /nfs/dbraw/zinc/68/95/82/1058689582.db2.gz DVUMGUZFVQWQJC-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246138403 1058692067 /nfs/dbraw/zinc/69/20/67/1058692067.db2.gz ZTIYGTWFKBZWHD-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246137057 1058692917 /nfs/dbraw/zinc/69/29/17/1058692917.db2.gz HQLBBJNQOABXNL-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246171354 1058717301 /nfs/dbraw/zinc/71/73/01/1058717301.db2.gz JJRUJRBZQCVMAZ-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C[C@H](C1)C2 ZINC001246250323 1058767395 /nfs/dbraw/zinc/76/73/95/1058767395.db2.gz UXFDRXKUOLTSCN-JJTKIYQPSA-N 2 0 302.506 4.023 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246254277 1058772834 /nfs/dbraw/zinc/77/28/34/1058772834.db2.gz GMYDVLIRTQIRJJ-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246258822 1058779873 /nfs/dbraw/zinc/77/98/73/1058779873.db2.gz YMVVBYLKTCLXMO-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301585 1058809936 /nfs/dbraw/zinc/80/99/36/1058809936.db2.gz TVPUUHIUNYYATH-IPMKNSEASA-N 2 0 313.489 4.012 20 30 DIEDRP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301582 1058810457 /nfs/dbraw/zinc/81/04/57/1058810457.db2.gz TVPUUHIUNYYATH-GBESFXJTSA-N 2 0 313.489 4.012 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246335700 1058841353 /nfs/dbraw/zinc/84/13/53/1058841353.db2.gz ZOFYCXKQORFGQC-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246396786 1058901523 /nfs/dbraw/zinc/90/15/23/1058901523.db2.gz YWKKJVOMXKCEIY-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246449704 1058936979 /nfs/dbraw/zinc/93/69/79/1058936979.db2.gz CCBYOAAILOTWAW-WCRBZPEASA-N 2 0 324.512 4.076 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246454972 1058939666 /nfs/dbraw/zinc/93/96/66/1058939666.db2.gz CKGMOYAKPXFCMB-LJQANCHMSA-N 3 0 313.574 4.070 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H](C1)C2 ZINC001246512852 1058977935 /nfs/dbraw/zinc/97/79/35/1058977935.db2.gz NCHPOFVIJSCDBM-TUVJXNFZSA-N 2 0 302.506 4.166 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785349 1059085219 /nfs/dbraw/zinc/08/52/19/1059085219.db2.gz AFXBDJBKOPRPSF-RTBURBONSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785345 1059087032 /nfs/dbraw/zinc/08/70/32/1059087032.db2.gz AFXBDJBKOPRPSF-MOPGFXCFSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794933 1059096806 /nfs/dbraw/zinc/09/68/06/1059096806.db2.gz LHGYXTKKISELTQ-ACDBMABISA-N 2 0 300.490 4.374 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246945310 1059190486 /nfs/dbraw/zinc/19/04/86/1059190486.db2.gz GNCPYVLGAAHNAE-HNNXBMFYSA-N 2 0 306.881 4.249 20 30 DIEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246951144 1059194587 /nfs/dbraw/zinc/19/45/87/1059194587.db2.gz XYPMNWGZMRYSLO-PZJWPPBQSA-N 2 0 312.501 4.170 20 30 DIEDRP CCCCCCC[C@@H](C)[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955900 1059199568 /nfs/dbraw/zinc/19/95/68/1059199568.db2.gz VJGZMIFIKKBKNL-GOSISDBHSA-N 2 0 317.521 4.385 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955641 1059201774 /nfs/dbraw/zinc/20/17/74/1059201774.db2.gz MPWSOKHZXBFALV-INIZCTEOSA-N 2 0 304.453 4.043 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246962911 1059204060 /nfs/dbraw/zinc/20/40/60/1059204060.db2.gz WIJICXZZVAHOER-MRXNPFEDSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC001246971048 1059217988 /nfs/dbraw/zinc/21/79/88/1059217988.db2.gz ZAEUXTNKVXHLLI-LJQANCHMSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001559822355 1059655333 /nfs/dbraw/zinc/65/53/33/1059655333.db2.gz LKWWFUIJGYWCNP-UHFFFAOYSA-N 2 0 309.457 4.103 20 30 DIEDRP C=CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)(C)C ZINC001473651598 1061316364 /nfs/dbraw/zinc/31/63/64/1061316364.db2.gz ZIGJPSGAKCPBAZ-UHFFFAOYSA-N 2 0 300.490 4.459 20 30 DIEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001473916335 1061463846 /nfs/dbraw/zinc/46/38/46/1061463846.db2.gz VVNLICZEYZHRKP-PXNSSMCTSA-N 2 0 300.490 4.363 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001473916336 1061463929 /nfs/dbraw/zinc/46/39/29/1061463929.db2.gz VVNLICZEYZHRKP-XLIONFOSSA-N 2 0 300.490 4.363 20 30 DIEDRP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001255136029 1062331838 /nfs/dbraw/zinc/33/18/38/1062331838.db2.gz LQILGALFCGTBDR-MZADTFQBSA-N 2 0 322.496 4.108 20 30 DIEDRP CC(C)(C)[NH+]1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001256576255 1062901288 /nfs/dbraw/zinc/90/12/88/1062901288.db2.gz COSYASPLACGBNG-UHFFFAOYSA-N 2 0 324.512 4.013 20 30 DIEDRP CCC[C@H](CC)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253582 1063159416 /nfs/dbraw/zinc/15/94/16/1063159416.db2.gz QVSUGGCXWIICCH-UFYCRDLUSA-N 2 0 313.489 4.209 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001258041663 1063474481 /nfs/dbraw/zinc/47/44/81/1063474481.db2.gz YPLMPECXFKHECK-KRWDZBQOSA-N 2 0 303.494 4.389 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001258732525 1063780909 /nfs/dbraw/zinc/78/09/09/1063780909.db2.gz MSKAYJLMGJPKLI-GOSISDBHSA-N 2 0 300.490 4.185 20 30 DIEDRP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902956 1063876273 /nfs/dbraw/zinc/87/62/73/1063876273.db2.gz IOVOCKYNMVLUDI-ROUUACIJSA-N 2 0 318.505 4.413 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308488686 1066023113 /nfs/dbraw/zinc/02/31/13/1066023113.db2.gz PTEGLQHGXRMVBM-QCFAMHMHSA-N 2 0 312.501 4.089 20 30 DIEDRP C=CCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459458756 339030332 /nfs/dbraw/zinc/03/03/32/339030332.db2.gz YXDKIFAJKGFHRS-NRFANRHFSA-N 2 0 321.468 4.348 20 30 DIEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650036 340371017 /nfs/dbraw/zinc/37/10/17/340371017.db2.gz WNRAZXWDGHUDAX-JKSUJKDBSA-N 2 0 317.452 4.003 20 30 DIEDRP C=CCC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccco1 ZINC000552251201 341381419 /nfs/dbraw/zinc/38/14/19/341381419.db2.gz NOSIPJIYBHAFLQ-QGZVFWFLSA-N 2 0 309.413 4.386 20 30 DIEDRP C=CCCCCCCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001209442280 1036188365 /nfs/dbraw/zinc/18/83/65/1036188365.db2.gz PJFARHLDQMCCBE-UHFFFAOYSA-N 2 0 322.537 4.088 20 30 DIEDRP C=CCCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398026393 1037096049 /nfs/dbraw/zinc/09/60/49/1037096049.db2.gz MCVPXFFLSCAMNA-QUCCMNQESA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414110187 1040875416 /nfs/dbraw/zinc/87/54/16/1040875416.db2.gz HXKGSRYVLJGTAR-QFBILLFUSA-N 2 0 318.892 4.216 20 30 DIEDRP C=CCC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422992219 1042694304 /nfs/dbraw/zinc/69/43/04/1042694304.db2.gz CHEHQOJTJPJFRZ-OXQOHEQNSA-N 2 0 309.457 4.207 20 30 DIEDRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423524364 1042717513 /nfs/dbraw/zinc/71/75/13/1042717513.db2.gz WYJPTRVMLMJQAF-VQTJNVASSA-N 2 0 307.441 4.079 20 30 DIEDRP C=CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076368 1042970711 /nfs/dbraw/zinc/97/07/11/1042970711.db2.gz WSLXIPOWRQHKDG-UZLBHIALSA-N 2 0 309.457 4.111 20 30 DIEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173838226 1043053640 /nfs/dbraw/zinc/05/36/40/1043053640.db2.gz DAWKZRHHOBDSLD-KRWDZBQOSA-N 2 0 319.452 4.005 20 30 DIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000173915302 1043055399 /nfs/dbraw/zinc/05/53/99/1043055399.db2.gz UFXICQYVGXQLCT-KRWDZBQOSA-N 2 0 321.468 4.249 20 30 DIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000173954650 1043058279 /nfs/dbraw/zinc/05/82/79/1043058279.db2.gz JUKSGKURGNLQNF-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP C#CC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635280 1043440509 /nfs/dbraw/zinc/44/05/09/1043440509.db2.gz PQUBMOUTRAOHTJ-LAUBAEHRSA-N 2 0 306.453 4.163 20 30 DIEDRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1 ZINC000927037259 1043672245 /nfs/dbraw/zinc/67/22/45/1043672245.db2.gz MJGWIHRHLJHIBM-GPJFCIFZSA-N 2 0 311.473 4.006 20 30 DIEDRP N#CC1(CCCC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CCC1 ZINC000931706569 1044062043 /nfs/dbraw/zinc/06/20/43/1044062043.db2.gz GKSAKKGQJUVTKV-IBGZPJMESA-N 2 0 322.456 4.078 20 30 DIEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000575974504 1045023435 /nfs/dbraw/zinc/02/34/35/1045023435.db2.gz LJWGNSHJLZQYAK-OAHLLOKOSA-N 2 0 312.432 4.280 20 30 DIEDRP CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447509405 1045137360 /nfs/dbraw/zinc/13/73/60/1045137360.db2.gz MPFQHRMJSVQYEG-VQIMIIECSA-N 2 0 301.478 4.109 20 30 DIEDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447535583 1045141763 /nfs/dbraw/zinc/14/17/63/1045141763.db2.gz HFSJVUIZIIBQIZ-YLJYHZDGSA-N 2 0 313.489 4.254 20 30 DIEDRP C=CCC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034222 1045199969 /nfs/dbraw/zinc/19/99/69/1045199969.db2.gz WPFDWDKDJDGTLR-WOJBJXKFSA-N 2 0 324.468 4.399 20 30 DIEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000449120482 1045348847 /nfs/dbraw/zinc/34/88/47/1045348847.db2.gz DCDFUWWDEYFLCO-IOJLRTSASA-N 2 0 317.521 4.093 20 30 DIEDRP CC(C)(CCC#N)C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902384365 1045987792 /nfs/dbraw/zinc/98/77/92/1045987792.db2.gz JWNFTXPHDNMKCX-QGZVFWFLSA-N 2 0 323.431 4.054 20 30 DIEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC001201608807 1048329661 /nfs/dbraw/zinc/32/96/61/1048329661.db2.gz QEQPSMSYJXCTLW-IQNGYNMSSA-N 2 0 304.522 4.364 20 30 DIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000192938232 1049031158 /nfs/dbraw/zinc/03/11/58/1049031158.db2.gz SDFGTJNQOBGGOQ-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094710 1049374390 /nfs/dbraw/zinc/37/43/90/1049374390.db2.gz OHTCLAMRNOEPDW-IBGZPJMESA-N 2 0 318.505 4.349 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094711 1049374702 /nfs/dbraw/zinc/37/47/02/1049374702.db2.gz OHTCLAMRNOEPDW-LJQANCHMSA-N 2 0 318.505 4.349 20 30 DIEDRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196936003 1049706173 /nfs/dbraw/zinc/70/61/73/1049706173.db2.gz NTBFHWKBVPUVDM-LJQANCHMSA-N 2 0 319.537 4.293 20 30 DIEDRP C[NH+]1CCC(C)(C[N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001208106928 1049974028 /nfs/dbraw/zinc/97/40/28/1049974028.db2.gz LPOIBJVCCOOGPN-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209161180 1050040525 /nfs/dbraw/zinc/04/05/25/1050040525.db2.gz INTYTAKJLUFOSX-WDSOQIARSA-N 2 0 318.530 4.247 20 30 DIEDRP C=CCCCC[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001209202181 1050044060 /nfs/dbraw/zinc/04/40/60/1050044060.db2.gz BIENLIQWYAFCLQ-UHFFFAOYSA-N 2 0 300.490 4.329 20 30 DIEDRP C#CCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001209267211 1050049777 /nfs/dbraw/zinc/04/97/77/1050049777.db2.gz MMZOSTGGDVCSAG-UHFFFAOYSA-N 2 0 324.512 4.086 20 30 DIEDRP C=CCCCCC[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001209423637 1050057849 /nfs/dbraw/zinc/05/78/49/1050057849.db2.gz BEKFWYCXVOHMIH-UHFFFAOYSA-N 2 0 316.489 4.314 20 30 DIEDRP CCCC[NH+](CCCC)CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328104 1051694482 /nfs/dbraw/zinc/69/44/82/1051694482.db2.gz NUJWJAWFEVYGMY-UHFFFAOYSA-N 2 0 307.526 4.341 20 30 DIEDRP C[N@H+](C1CCC(CC#N)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001173339250 1051699025 /nfs/dbraw/zinc/69/90/25/1051699025.db2.gz DTYMRKSPJUENBU-UHFFFAOYSA-N 2 0 317.521 4.188 20 30 DIEDRP CCCC[NH+](CCCC)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586157 1051753841 /nfs/dbraw/zinc/75/38/41/1051753841.db2.gz JXCNEXWOQFEUOF-UHFFFAOYSA-N 2 0 307.526 4.341 20 30 DIEDRP CC1(C#N)CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590994 1051754988 /nfs/dbraw/zinc/75/49/88/1051754988.db2.gz GKCHVCGDIDHCBD-CAAWEGIDSA-N 2 0 317.521 4.363 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433671 1052345984 /nfs/dbraw/zinc/34/59/84/1052345984.db2.gz PEVWTZYATOHJOV-CGBFIWBNSA-N 2 0 300.490 4.087 20 30 DIEDRP CCCCCCCC[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595580 1052515066 /nfs/dbraw/zinc/51/50/66/1052515066.db2.gz DEGKBNGRHHKTMV-LJQANCHMSA-N 2 0 300.490 4.036 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233388 1054686701 /nfs/dbraw/zinc/68/67/01/1054686701.db2.gz PMMMUQOAKYQSNE-UYAOXDASSA-N 2 0 302.506 4.143 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)CC1 ZINC001235703929 1054786508 /nfs/dbraw/zinc/78/65/08/1054786508.db2.gz VVZWEWDFLKVHKB-GOSISDBHSA-N 2 0 302.506 4.001 20 30 DIEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000382018274 1055197135 /nfs/dbraw/zinc/19/71/35/1055197135.db2.gz WVHJTDDLYFSAER-AZUAARDMSA-N 2 0 300.490 4.233 20 30 DIEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399806 1057018116 /nfs/dbraw/zinc/01/81/16/1057018116.db2.gz FGBBAMVNAJGSME-QGZVFWFLSA-N 2 0 313.489 4.063 20 30 DIEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242678151 1057444438 /nfs/dbraw/zinc/44/44/38/1057444438.db2.gz ZFKPWQYBXFDEGZ-NRFANRHFSA-N 2 0 304.437 4.280 20 30 DIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244326291 1057934171 /nfs/dbraw/zinc/93/41/71/1057934171.db2.gz HCRSQWMBQOTCKA-NRFANRHFSA-N 2 0 322.452 4.014 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246134053 1058689040 /nfs/dbraw/zinc/68/90/40/1058689040.db2.gz LDBNEXWUIKDILB-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246132518 1058690266 /nfs/dbraw/zinc/69/02/66/1058690266.db2.gz LXPLTNCFDCLYRV-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246128928 1058690704 /nfs/dbraw/zinc/69/07/04/1058690704.db2.gz CGCFXFKZRRIDBT-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246136110 1058692555 /nfs/dbraw/zinc/69/25/55/1058692555.db2.gz REMKKTLQUROXJY-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]CC[C@@H]1CCOC12CC[NH2+]CC2 ZINC001246140345 1058697045 /nfs/dbraw/zinc/69/70/45/1058697045.db2.gz NWBNBSVVCCTFAK-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001246148065 1058699197 /nfs/dbraw/zinc/69/91/97/1058699197.db2.gz DMAPUTLUBYTKRV-HAGHYFMRSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001246150379 1058699218 /nfs/dbraw/zinc/69/92/18/1058699218.db2.gz GKCPZOUMSOQSNL-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246148584 1058699670 /nfs/dbraw/zinc/69/96/70/1058699670.db2.gz FZGADYQGVTZXJQ-MUGJNUQGSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246146708 1058699835 /nfs/dbraw/zinc/69/98/35/1058699835.db2.gz HBMPTSFSXOCMBR-ZCNNSNEGSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246176633 1058720013 /nfs/dbraw/zinc/72/00/13/1058720013.db2.gz NDTCGSFPJUTVMS-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246174426 1058721043 /nfs/dbraw/zinc/72/10/43/1058721043.db2.gz KVUXLCIJSAGTEL-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCCC[C@@H](C)N(C(N)=[NH2+])C1CC[NH2+]CC1 ZINC001246197669 1058739360 /nfs/dbraw/zinc/73/93/60/1058739360.db2.gz QKNAPAMWBYKBMB-QGZVFWFLSA-N 2 0 324.557 4.243 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246244984 1058766194 /nfs/dbraw/zinc/76/61/94/1058766194.db2.gz DMSKCDPTPVTCEM-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246250678 1058768455 /nfs/dbraw/zinc/76/84/55/1058768455.db2.gz XOHNWLBBLHKGQG-UXHICEINSA-N 2 0 302.506 4.300 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@@H](c3ccccc3)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246254688 1058772791 /nfs/dbraw/zinc/77/27/91/1058772791.db2.gz ZYCYCXXJRBZXHP-ZSYLPADVSA-N 2 0 324.512 4.452 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246254279 1058774363 /nfs/dbraw/zinc/77/43/63/1058774363.db2.gz GMYDVLIRTQIRJJ-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246259233 1058779791 /nfs/dbraw/zinc/77/97/91/1058779791.db2.gz ZVZXKWZFDYEBNQ-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246258823 1058781570 /nfs/dbraw/zinc/78/15/70/1058781570.db2.gz YMVVBYLKTCLXMO-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCC[C@H]1C[C@@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302245 1058812767 /nfs/dbraw/zinc/81/27/67/1058812767.db2.gz XGUMRXVUFVODIJ-SLFFLAALSA-N 2 0 313.489 4.156 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246335701 1058844899 /nfs/dbraw/zinc/84/48/99/1058844899.db2.gz ZOFYCXKQORFGQC-QRVBRYPASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001246340624 1058850367 /nfs/dbraw/zinc/85/03/67/1058850367.db2.gz LIZKJKOMRPDQLA-YTQUADARSA-N 2 0 303.494 4.071 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C1(c2cccnc2)CC[NH2+]CC1 ZINC001246424202 1058922114 /nfs/dbraw/zinc/92/21/14/1058922114.db2.gz PRWUCGGFGOBXDD-LJQANCHMSA-N 2 0 317.521 4.389 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246451528 1058937261 /nfs/dbraw/zinc/93/72/61/1058937261.db2.gz NQQFVSBLWUWOJT-BEFAXECRSA-N 2 0 304.453 4.201 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246451531 1058940797 /nfs/dbraw/zinc/94/07/97/1058940797.db2.gz NQQFVSBLWUWOJT-KXBFYZLASA-N 2 0 304.453 4.201 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC001246453624 1058942502 /nfs/dbraw/zinc/94/25/02/1058942502.db2.gz UWKXIYXNPCIBPN-HNAYVOBHSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542856 1058992231 /nfs/dbraw/zinc/99/22/31/1058992231.db2.gz LSYJESMSZPNIGY-RTBURBONSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246550156 1058998581 /nfs/dbraw/zinc/99/85/81/1058998581.db2.gz JFBAEQPISGIQJK-RTBURBONSA-N 2 0 312.542 4.081 20 30 DIEDRP N#CCC[N@H+]([C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770774 1059071333 /nfs/dbraw/zinc/07/13/33/1059071333.db2.gz SKHHMKXQULLEJV-WOJBJXKFSA-N 2 0 317.521 4.237 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796291 1059102994 /nfs/dbraw/zinc/10/29/94/1059102994.db2.gz PSIJNSFYAXRXAR-UXHICEINSA-N 2 0 300.490 4.376 20 30 DIEDRP CCCCCCCCCCCC[N@H+](C)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246863246 1059137014 /nfs/dbraw/zinc/13/70/14/1059137014.db2.gz YBWYCVGIEGWDGY-IBGZPJMESA-N 2 0 324.553 4.360 20 30 DIEDRP C[NH2+]CC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890687 1059153835 /nfs/dbraw/zinc/15/38/35/1059153835.db2.gz KCRUZRICXCIMGM-QZTJIDSGSA-N 2 0 321.468 4.119 20 30 DIEDRP C[NH2+]CC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890688 1059154039 /nfs/dbraw/zinc/15/40/39/1059154039.db2.gz KCRUZRICXCIMGM-ROUUACIJSA-N 2 0 321.468 4.119 20 30 DIEDRP C[NH2+]CC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890397 1059155244 /nfs/dbraw/zinc/15/52/44/1059155244.db2.gz KCRUZRICXCIMGM-MSOLQXFVSA-N 2 0 321.468 4.119 20 30 DIEDRP CCCCCCC[C@H](CC)[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949809 1059195256 /nfs/dbraw/zinc/19/52/56/1059195256.db2.gz LTQOYGIRFWBLBP-SFHVURJKSA-N 2 0 312.542 4.216 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966280 1059212037 /nfs/dbraw/zinc/21/20/37/1059212037.db2.gz VXSOMIAKAGXTME-INIZCTEOSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246977892 1059221174 /nfs/dbraw/zinc/22/11/74/1059221174.db2.gz RKFGMVYUUJQBPW-VQTJNVASSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246977894 1059222206 /nfs/dbraw/zinc/22/22/06/1059222206.db2.gz RKFGMVYUUJQBPW-WOJBJXKFSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246977889 1059222799 /nfs/dbraw/zinc/22/27/99/1059222799.db2.gz RKFGMVYUUJQBPW-UXHICEINSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462508539 1061218767 /nfs/dbraw/zinc/21/87/67/1061218767.db2.gz OCBBIUSDDLMEFD-HOJAQTOUSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCC[C@@H](O)C[NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C ZINC001252623517 1061682913 /nfs/dbraw/zinc/68/29/13/1061682913.db2.gz LHPOSEFZPAPZHR-OAHLLOKOSA-N 2 0 301.455 4.372 20 30 DIEDRP C=CCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148641 1062337986 /nfs/dbraw/zinc/33/79/86/1062337986.db2.gz YAQQOQAQDKRHPO-WKCHPHFGSA-N 2 0 312.501 4.470 20 30 DIEDRP C=C(C)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460542691 1062904569 /nfs/dbraw/zinc/90/45/69/1062904569.db2.gz KZKXFXWDLRFRID-FQEVSTJZSA-N 2 0 312.501 4.185 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049317 1063482817 /nfs/dbraw/zinc/48/28/17/1063482817.db2.gz FCVLJTZYBMZILD-AZUAARDMSA-N 2 0 324.553 4.311 20 30 DIEDRP C=CCC[C@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722636 1063776869 /nfs/dbraw/zinc/77/68/69/1063776869.db2.gz LKSXNFKSVNOAFZ-WDSOQIARSA-N 2 0 316.489 4.122 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001258728070 1063781106 /nfs/dbraw/zinc/78/11/06/1063781106.db2.gz MAHUWDKPZSTKEH-HKUYNNGSSA-N 2 0 316.489 4.311 20 30 DIEDRP C=CCC[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001258728889 1063782468 /nfs/dbraw/zinc/78/24/68/1063782468.db2.gz RCUXVDIYEFWECX-KRWDZBQOSA-N 2 0 318.530 4.391 20 30 DIEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001258901595 1063876523 /nfs/dbraw/zinc/87/65/23/1063876523.db2.gz JUFWKPZUYAMTOC-FXAWDEMLSA-N 2 0 315.505 4.355 20 30 DIEDRP C#CCCC[N@H+]1CCCC2(C[NH+](C[C@@H](CC)CCCC)C2)C1 ZINC001279239336 1064337313 /nfs/dbraw/zinc/33/73/13/1064337313.db2.gz RIJSNLALQVNLKG-IBGZPJMESA-N 2 0 304.522 4.014 20 30 DIEDRP C#CCCC[NH+]1CCC2(C[NH+](C[C@H](CC)CCCC)C2)CC1 ZINC001279239062 1064337372 /nfs/dbraw/zinc/33/73/72/1064337372.db2.gz OACLTYXKYYCCJI-LJQANCHMSA-N 2 0 304.522 4.014 20 30 DIEDRP C=CCCC[N@@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308133092 1065773976 /nfs/dbraw/zinc/77/39/76/1065773976.db2.gz AMKYPXBIICNNDY-UHFFFAOYSA-N 2 0 300.490 4.461 20 30 DIEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357987 333298296 /nfs/dbraw/zinc/29/82/96/333298296.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 2 0 319.537 4.293 20 30 DIEDRP C=CCN1CCC([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000177914299 337158900 /nfs/dbraw/zinc/15/89/00/337158900.db2.gz FQMUUHBVBCDOHA-QGZVFWFLSA-N 2 0 321.468 4.050 20 30 DIEDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193995 338006492 /nfs/dbraw/zinc/00/64/92/338006492.db2.gz VHGCYUQOQOUSGR-ONGXBYRLSA-N 2 0 319.452 4.146 20 30 DIEDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193994 338006554 /nfs/dbraw/zinc/00/65/54/338006554.db2.gz VHGCYUQOQOUSGR-JHVJFLLYSA-N 2 0 319.452 4.146 20 30 DIEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550855456 341324531 /nfs/dbraw/zinc/32/45/31/341324531.db2.gz JCVOMDDZGUBRGG-ACDBMABISA-N 2 0 312.501 4.374 20 30 DIEDRP C=CCC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccco1 ZINC000552251200 341381431 /nfs/dbraw/zinc/38/14/31/341381431.db2.gz NOSIPJIYBHAFLQ-KRWDZBQOSA-N 2 0 309.413 4.386 20 30 DIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181495395 519630981 /nfs/dbraw/zinc/63/09/81/519630981.db2.gz KHZHDRKWZUALCP-QGZVFWFLSA-N 2 0 321.468 4.249 20 30 DIEDRP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645504 1037046032 /nfs/dbraw/zinc/04/60/32/1037046032.db2.gz HVWKUCLUFCTNBC-QZTJIDSGSA-N 2 0 321.468 4.119 20 30 DIEDRP C=CCCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398026390 1037095094 /nfs/dbraw/zinc/09/50/94/1037095094.db2.gz MCVPXFFLSCAMNA-ICSRJNTNSA-N 2 0 300.490 4.233 20 30 DIEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000342284585 1038518194 /nfs/dbraw/zinc/51/81/94/1038518194.db2.gz RBRWSSANROEZOT-UHFFFAOYSA-N 2 0 315.505 4.064 20 30 DIEDRP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998014 1041747415 /nfs/dbraw/zinc/74/74/15/1041747415.db2.gz UJXJUUJYMDHMGL-DENIHFKCSA-N 2 0 320.480 4.200 20 30 DIEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029553 1042695929 /nfs/dbraw/zinc/69/59/29/1042695929.db2.gz IIZYNFRRXSILRB-IRXDYDNUSA-N 2 0 321.468 4.393 20 30 DIEDRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423034403 1042696300 /nfs/dbraw/zinc/69/63/00/1042696300.db2.gz PTVYCDLGYZYOHC-CVEARBPZSA-N 2 0 307.441 4.003 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423034406 1042696545 /nfs/dbraw/zinc/69/65/45/1042696545.db2.gz PTVYCDLGYZYOHC-JKSUJKDBSA-N 2 0 307.441 4.003 20 30 DIEDRP C=CCCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000665236610 1043293050 /nfs/dbraw/zinc/29/30/50/1043293050.db2.gz QRUARUULCLCXHY-HNNXBMFYSA-N 2 0 301.478 4.026 20 30 DIEDRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1 ZINC000927037261 1043672022 /nfs/dbraw/zinc/67/20/22/1043672022.db2.gz MJGWIHRHLJHIBM-IOJLRTSASA-N 2 0 311.473 4.006 20 30 DIEDRP CC(C)C[N@H+](CCCCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879703595 1043980688 /nfs/dbraw/zinc/98/06/88/1043980688.db2.gz PLNPUDJXUNUYHA-UHFFFAOYSA-N 2 0 307.526 4.006 20 30 DIEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc(C#N)c1 ZINC000886535058 1044656186 /nfs/dbraw/zinc/65/61/86/1044656186.db2.gz UBMZSXNVUSELPI-PBPGXSGUSA-N 2 0 311.473 4.006 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185712 1045232501 /nfs/dbraw/zinc/23/25/01/1045232501.db2.gz OOGPSMHBTARMMK-CVEARBPZSA-N 2 0 307.441 4.032 20 30 DIEDRP CC1(C#N)CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000449058336 1045342213 /nfs/dbraw/zinc/34/22/13/1045342213.db2.gz IEDIJBRQUZWILA-UHFFFAOYSA-N 2 0 317.521 4.237 20 30 DIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449101733 1045346318 /nfs/dbraw/zinc/34/63/18/1045346318.db2.gz VGUXJSGXYRXLKQ-UHFFFAOYSA-N 2 0 313.489 4.089 20 30 DIEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344787 1046985259 /nfs/dbraw/zinc/98/52/59/1046985259.db2.gz ZGUSTQVNQPTFFQ-AQNXPRMDSA-N 2 0 300.490 4.056 20 30 DIEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000120738268 1047499597 /nfs/dbraw/zinc/49/95/97/1047499597.db2.gz CPRGYNASVSMPRH-VQIMIIECSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000121351695 1047518570 /nfs/dbraw/zinc/51/85/70/1047518570.db2.gz HZZLBGZNUITMKP-JENIJYKNSA-N 2 0 318.530 4.465 20 30 DIEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001199295143 1048054059 /nfs/dbraw/zinc/05/40/59/1048054059.db2.gz FWFKGUJOOTUTCX-FXAWDEMLSA-N 2 0 300.490 4.361 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001200942364 1048167327 /nfs/dbraw/zinc/16/73/27/1048167327.db2.gz OULCICDDXKPJCX-QWFCFKBJSA-N 2 0 300.490 4.231 20 30 DIEDRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000776157472 1048243553 /nfs/dbraw/zinc/24/35/53/1048243553.db2.gz RQIQEPCTGJSZJM-SFHVURJKSA-N 2 0 313.489 4.255 20 30 DIEDRP CCCCCCCCCN1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201847346 1048389185 /nfs/dbraw/zinc/38/91/85/1048389185.db2.gz VFZREFIDOIBYJI-FQEVSTJZSA-N 2 0 324.553 4.312 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](Cc2ccccc2)N(CC)CC)C1 ZINC001177221860 1048849473 /nfs/dbraw/zinc/84/94/73/1048849473.db2.gz DPIDYJHRZRAONF-NRSPTQNISA-N 2 0 314.517 4.274 20 30 DIEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC000859213315 1049319466 /nfs/dbraw/zinc/31/94/66/1049319466.db2.gz VHVAKHFMDOVFBL-UHFFFAOYSA-N 2 0 313.489 4.044 20 30 DIEDRP C=CCCCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750024 1049791900 /nfs/dbraw/zinc/79/19/00/1049791900.db2.gz SBVBJGUCWCQJOU-UHFFFAOYSA-N 2 0 300.490 4.115 20 30 DIEDRP C=CCCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294735 1049877272 /nfs/dbraw/zinc/87/72/72/1049877272.db2.gz RSAYYQHEKUUSBO-UHFFFAOYSA-N 2 0 300.490 4.187 20 30 DIEDRP C=CCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001209162617 1050040474 /nfs/dbraw/zinc/04/04/74/1050040474.db2.gz JXGPUQFQGRHQJZ-UHFFFAOYSA-N 2 0 312.501 4.331 20 30 DIEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209428893 1050057385 /nfs/dbraw/zinc/05/73/85/1050057385.db2.gz ORRYCLRKJJGKBM-FQEVSTJZSA-N 2 0 300.490 4.187 20 30 DIEDRP C[C@@H](CCCC#N)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488994 1051417245 /nfs/dbraw/zinc/41/72/45/1051417245.db2.gz XUOPIXPEHWEUFR-WDSOQIARSA-N 2 0 305.510 4.221 20 30 DIEDRP CCC(CC)[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173590789 1051754906 /nfs/dbraw/zinc/75/49/06/1051754906.db2.gz CILYRLYDTBHUKL-VHQLZKCGSA-N 2 0 305.510 4.219 20 30 DIEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173588945 1051755048 /nfs/dbraw/zinc/75/50/48/1051755048.db2.gz OPGQMUVFJDIYOD-UHFFFAOYSA-N 2 0 317.521 4.093 20 30 DIEDRP C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495421924 1052343664 /nfs/dbraw/zinc/34/36/64/1052343664.db2.gz WNEIFARQINTUSU-RLLQIKCJSA-N 2 0 300.490 4.231 20 30 DIEDRP CC(C)(C#N)CCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000618275013 1053289245 /nfs/dbraw/zinc/28/92/45/1053289245.db2.gz NDUANWWBZWBLKT-UHFFFAOYSA-N 2 0 319.537 4.294 20 30 DIEDRP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092943 1054653518 /nfs/dbraw/zinc/65/35/18/1054653518.db2.gz XWRXUZREUABOIY-INIZCTEOSA-N 2 0 302.453 4.058 20 30 DIEDRP C=CCCCCCC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349587 1054706301 /nfs/dbraw/zinc/70/63/01/1054706301.db2.gz RKAHKTVSYFJKLA-NHCUHLMSSA-N 2 0 312.501 4.202 20 30 DIEDRP CCCCCCC[N@H+](C)Cc1sc(C2CC[NH2+]CC2)nc1C ZINC001235662599 1054764998 /nfs/dbraw/zinc/76/49/98/1054764998.db2.gz JRKFRSMSSAAKCP-UHFFFAOYSA-N 2 0 323.550 4.321 20 30 DIEDRP CC[NH+](CC)CCCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000182766919 1055007566 /nfs/dbraw/zinc/00/75/66/1055007566.db2.gz MZKOPTQSCBFGRF-UHFFFAOYSA-N 2 0 307.526 4.150 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236543423 1055173246 /nfs/dbraw/zinc/17/32/46/1055173246.db2.gz RMLHMRZLRGDYDW-WGSAOQKQSA-N 2 0 316.489 4.123 20 30 DIEDRP CCC(CC)[N@H+](Cc1ccc(C)cc1C#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791661 1055261042 /nfs/dbraw/zinc/26/10/42/1055261042.db2.gz XZGOYNPSKWHTQX-KESTWPANSA-N 2 0 313.489 4.127 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000675782637 1057413370 /nfs/dbraw/zinc/41/33/70/1057413370.db2.gz WHDNJTCTXWZBAP-UTKZUKDTSA-N 2 0 312.501 4.333 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000675782634 1057413561 /nfs/dbraw/zinc/41/35/61/1057413561.db2.gz WHDNJTCTXWZBAP-DYESRHJHSA-N 2 0 312.501 4.333 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000675783472 1057414044 /nfs/dbraw/zinc/41/40/44/1057414044.db2.gz ICMCFJCYZPZECR-LAUBAEHRSA-N 2 0 312.501 4.333 20 30 DIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C[NH2+]C)cc2)cc1 ZINC001242994896 1057540234 /nfs/dbraw/zinc/54/02/34/1057540234.db2.gz UJIWMSXMDXSNCX-NRFANRHFSA-N 2 0 306.453 4.396 20 30 DIEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390009 1057597377 /nfs/dbraw/zinc/59/73/77/1057597377.db2.gz HCYSRIXESPXZSS-JXFKEZNVSA-N 2 0 313.489 4.036 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246022728 1058655061 /nfs/dbraw/zinc/65/50/61/1058655061.db2.gz BAXVCYFNQYZCRM-LJQANCHMSA-N 2 0 324.553 4.096 20 30 DIEDRP CCCCCCCCCCCC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC001246013575 1058656323 /nfs/dbraw/zinc/65/63/23/1058656323.db2.gz HLMNBWNQZJHUTL-LJQANCHMSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025702 1058657126 /nfs/dbraw/zinc/65/71/26/1058657126.db2.gz ZIJZINYKOSDVPD-MOPGFXCFSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCCCCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245995781 1058657199 /nfs/dbraw/zinc/65/71/99/1058657199.db2.gz FMHLJWJPSISKSM-UHFFFAOYSA-N 2 0 312.542 4.002 20 30 DIEDRP CCCCCCCC[C@@H](O)C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071298 1058662135 /nfs/dbraw/zinc/66/21/35/1058662135.db2.gz RNRTVJAXGCRGHT-MISYRCLQSA-N 2 0 324.553 4.222 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246114502 1058684580 /nfs/dbraw/zinc/68/45/80/1058684580.db2.gz MZMXBWOMLLPWIG-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246125148 1058687514 /nfs/dbraw/zinc/68/75/14/1058687514.db2.gz HIUVFQDGDVODKH-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246132521 1058689362 /nfs/dbraw/zinc/68/93/62/1058689362.db2.gz LXPLTNCFDCLYRV-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246132583 1058689446 /nfs/dbraw/zinc/68/94/46/1058689446.db2.gz FGAGRRZZOPDIIE-INIZCTEOSA-N 2 0 321.509 4.329 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246134054 1058693609 /nfs/dbraw/zinc/69/36/09/1058693609.db2.gz LDBNEXWUIKDILB-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246136106 1058693816 /nfs/dbraw/zinc/69/38/16/1058693816.db2.gz REMKKTLQUROXJY-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246146703 1058698421 /nfs/dbraw/zinc/69/84/21/1058698421.db2.gz HBMPTSFSXOCMBR-UFYCRDLUSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149745 1058700126 /nfs/dbraw/zinc/70/01/26/1058700126.db2.gz LTXBGGUIYPRSAY-VNTMZGSJSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149067 1058700221 /nfs/dbraw/zinc/70/02/21/1058700221.db2.gz JDQWNZZGOTVYPY-VNTMZGSJSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246159108 1058701725 /nfs/dbraw/zinc/70/17/25/1058701725.db2.gz XPBNOYQKJDEOFD-AABGKKOBSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246168576 1058713509 /nfs/dbraw/zinc/71/35/09/1058713509.db2.gz DVVZVPBHEVKBFB-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246176631 1058720591 /nfs/dbraw/zinc/72/05/91/1058720591.db2.gz NDTCGSFPJUTVMS-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246174425 1058720634 /nfs/dbraw/zinc/72/06/34/1058720634.db2.gz KVUXLCIJSAGTEL-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246244975 1058763355 /nfs/dbraw/zinc/76/33/55/1058763355.db2.gz DMSKCDPTPVTCEM-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246250980 1058766844 /nfs/dbraw/zinc/76/68/44/1058766844.db2.gz VSUPFFILYZAOLA-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246250975 1058767848 /nfs/dbraw/zinc/76/78/48/1058767848.db2.gz VSUPFFILYZAOLA-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246255370 1058774985 /nfs/dbraw/zinc/77/49/85/1058774985.db2.gz JECXXQQKJQREMY-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246255834 1058775924 /nfs/dbraw/zinc/77/59/24/1058775924.db2.gz MBLZWRQBEQSAOC-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256851 1058776346 /nfs/dbraw/zinc/77/63/46/1058776346.db2.gz QRHPPGFTHNOBRJ-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256361 1058776805 /nfs/dbraw/zinc/77/68/05/1058776805.db2.gz OWCRBABBRSZISL-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP N#CCC[N@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001246771756 1059074730 /nfs/dbraw/zinc/07/47/30/1059074730.db2.gz ZILTVQAQQLQVSD-IBGZPJMESA-N 2 0 317.521 4.237 20 30 DIEDRP N#CCC[N@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770769 1059075563 /nfs/dbraw/zinc/07/55/63/1059075563.db2.gz SKHHMKXQULLEJV-UXHICEINSA-N 2 0 317.521 4.237 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796293 1059103270 /nfs/dbraw/zinc/10/32/70/1059103270.db2.gz PSIJNSFYAXRXAR-WOJBJXKFSA-N 2 0 300.490 4.376 20 30 DIEDRP CCCCCCC[C@H](CC)[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246837214 1059114442 /nfs/dbraw/zinc/11/44/42/1059114442.db2.gz RKBJAJVUQRFIIF-SFHVURJKSA-N 2 0 312.542 4.216 20 30 DIEDRP CC[C@H]1CC([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924952 1059181347 /nfs/dbraw/zinc/18/13/47/1059181347.db2.gz UWQJRYJDLVMONH-SFTDATJTSA-N 2 0 324.512 4.059 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246969820 1059214353 /nfs/dbraw/zinc/21/43/53/1059214353.db2.gz WFZJTGCUZACKFS-RBUKOAKNSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCCC[C@H](C)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246979703 1059220766 /nfs/dbraw/zinc/22/07/66/1059220766.db2.gz ZTVCRYPWTYCTBS-ICSRJNTNSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246977885 1059224548 /nfs/dbraw/zinc/22/45/48/1059224548.db2.gz RKFGMVYUUJQBPW-PMACEKPBSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001559577223 1059411385 /nfs/dbraw/zinc/41/13/85/1059411385.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 2 0 312.501 4.331 20 30 DIEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462508547 1061220133 /nfs/dbraw/zinc/22/01/33/1061220133.db2.gz OCBBIUSDDLMEFD-SXLOBPIMSA-N 2 0 300.490 4.089 20 30 DIEDRP CCCCCCCC[C@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001252134419 1061591684 /nfs/dbraw/zinc/59/16/84/1061591684.db2.gz RDELHNQGKOUHQB-OALUTQOASA-N 2 0 314.558 4.198 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001253255311 1061857980 /nfs/dbraw/zinc/85/79/80/1061857980.db2.gz IJJPRMHRUSQCNF-SOAGJPPSSA-N 2 0 324.553 4.117 20 30 DIEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001253256479 1061861231 /nfs/dbraw/zinc/86/12/31/1061861231.db2.gz ZBAGDQONDFRFFD-HXUWFJFHSA-N 2 0 324.553 4.117 20 30 DIEDRP CCCCCCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849927 1063016332 /nfs/dbraw/zinc/01/63/32/1063016332.db2.gz PBPUOHSXAJMPHW-UHFFFAOYSA-N 2 0 303.494 4.391 20 30 DIEDRP CCCCCCC[N@H+](CC)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860651 1063021189 /nfs/dbraw/zinc/02/11/89/1063021189.db2.gz HFALUCUZLFNCDH-UHFFFAOYSA-N 2 0 303.494 4.343 20 30 DIEDRP CCC[C@@H](CC)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253585 1063160252 /nfs/dbraw/zinc/16/02/52/1063160252.db2.gz QVSUGGCXWIICCH-VAMGGRTRSA-N 2 0 313.489 4.209 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH+]4CCCCC4)CC3)C[C@H](C1)C2 ZINC001257890361 1063428557 /nfs/dbraw/zinc/42/85/57/1063428557.db2.gz VRYZNDZXQLIVHO-UFRUDQCGSA-N 2 0 302.506 4.072 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258040723 1063471611 /nfs/dbraw/zinc/47/16/11/1063471611.db2.gz HITAQCIVOSMTNY-GOSISDBHSA-N 2 0 317.521 4.166 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001258229176 1063567746 /nfs/dbraw/zinc/56/77/46/1063567746.db2.gz NJWVPOATJGKRPW-GOSISDBHSA-N 2 0 324.553 4.216 20 30 DIEDRP C=CCC[C@@H](C)[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001258721954 1063776798 /nfs/dbraw/zinc/77/67/98/1063776798.db2.gz JNPHZRNYVISWRQ-SREGSLNRSA-N 2 0 312.501 4.469 20 30 DIEDRP C=CCC[C@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001258732526 1063781823 /nfs/dbraw/zinc/78/18/23/1063781823.db2.gz MSKAYJLMGJPKLI-SFHVURJKSA-N 2 0 300.490 4.185 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736727 1063785063 /nfs/dbraw/zinc/78/50/63/1063785063.db2.gz ZMRMAZWXCGYCDB-JBACZVJFSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CCCCCCC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001279272215 1064340435 /nfs/dbraw/zinc/34/04/35/1064340435.db2.gz YJSMAGMEAGNDJP-UHFFFAOYSA-N 2 0 315.505 4.049 20 30 DIEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357988 333298458 /nfs/dbraw/zinc/29/84/58/333298458.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 2 0 319.537 4.293 20 30 DIEDRP C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000532466294 336249181 /nfs/dbraw/zinc/24/91/81/336249181.db2.gz FHJHCOOEZWWRRX-FIKGOQFSSA-N 2 0 319.452 4.044 20 30 DIEDRP C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422992218 337693940 /nfs/dbraw/zinc/69/39/40/337693940.db2.gz CHEHQOJTJPJFRZ-OXJNMPFZSA-N 2 0 309.457 4.207 20 30 DIEDRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193996 338006516 /nfs/dbraw/zinc/00/65/16/338006516.db2.gz VHGCYUQOQOUSGR-RVHYNSKXSA-N 2 0 319.452 4.146 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540594699 340937416 /nfs/dbraw/zinc/93/74/16/340937416.db2.gz XSQNBQUZCBNAAW-LSTHTHJFSA-N 2 0 313.489 4.109 20 30 DIEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181419651 525440469 /nfs/dbraw/zinc/44/04/69/525440469.db2.gz NTJGCFADPUAAEV-KRWDZBQOSA-N 2 0 319.452 4.005 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208684 1036061803 /nfs/dbraw/zinc/06/18/03/1036061803.db2.gz XTOVOMKKLVRUPM-NHCUHLMSSA-N 2 0 312.501 4.187 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000602531301 1038035893 /nfs/dbraw/zinc/03/58/93/1038035893.db2.gz HIUDOBXCBSTBDF-GOSISDBHSA-N 2 0 313.489 4.092 20 30 DIEDRP CC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662033 1038329825 /nfs/dbraw/zinc/32/98/25/1038329825.db2.gz WPXMMTCITZMWIV-UHFFFAOYSA-N 2 0 315.505 4.290 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646787 1039077074 /nfs/dbraw/zinc/07/70/74/1039077074.db2.gz GSKJDLNHYOJYMF-NHCUHLMSSA-N 2 0 312.501 4.329 20 30 DIEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906820 1039882521 /nfs/dbraw/zinc/88/25/21/1039882521.db2.gz CEXSHKLCBJZGGK-JKSUJKDBSA-N 2 0 317.452 4.003 20 30 DIEDRP C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492329142 1039951464 /nfs/dbraw/zinc/95/14/64/1039951464.db2.gz LILUBLLKBSNGKO-NSHGMRRFSA-N 2 0 300.490 4.231 20 30 DIEDRP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998016 1041747303 /nfs/dbraw/zinc/74/73/03/1041747303.db2.gz UJXJUUJYMDHMGL-SIKLNZKXSA-N 2 0 320.480 4.200 20 30 DIEDRP C=CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423005324 1042695288 /nfs/dbraw/zinc/69/52/88/1042695288.db2.gz RKYNZEZERKYTPD-XJKSGUPXSA-N 2 0 314.395 4.430 20 30 DIEDRP C=CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423005323 1042695520 /nfs/dbraw/zinc/69/55/20/1042695520.db2.gz RKYNZEZERKYTPD-CZUORRHYSA-N 2 0 314.395 4.430 20 30 DIEDRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423034405 1042696428 /nfs/dbraw/zinc/69/64/28/1042696428.db2.gz PTVYCDLGYZYOHC-HZPDHXFCSA-N 2 0 307.441 4.003 20 30 DIEDRP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccco1 ZINC000927037263 1043671843 /nfs/dbraw/zinc/67/18/43/1043671843.db2.gz MJNQCGLAIDRWJB-TVRKMHQQSA-N 2 0 302.462 4.284 20 30 DIEDRP C=CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccco1 ZINC000927037262 1043672378 /nfs/dbraw/zinc/67/23/78/1043672378.db2.gz MJNQCGLAIDRWJB-HFCFLWKCSA-N 2 0 302.462 4.284 20 30 DIEDRP CCC1([NH+]2CCCCC2)CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000895554011 1043705194 /nfs/dbraw/zinc/70/51/94/1043705194.db2.gz IYNREBDNDDYFLI-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519894 1045015757 /nfs/dbraw/zinc/01/57/57/1045015757.db2.gz UHYYMLGSCYRBQW-ROUUACIJSA-N 2 0 317.521 4.093 20 30 DIEDRP C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519892 1045016549 /nfs/dbraw/zinc/01/65/49/1045016549.db2.gz UHYYMLGSCYRBQW-MSOLQXFVSA-N 2 0 317.521 4.093 20 30 DIEDRP C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519893 1045016642 /nfs/dbraw/zinc/01/66/42/1045016642.db2.gz UHYYMLGSCYRBQW-QZTJIDSGSA-N 2 0 317.521 4.093 20 30 DIEDRP CC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517962 1045135712 /nfs/dbraw/zinc/13/57/12/1045135712.db2.gz MIHYIVVXPIJHAF-OAQYLSRUSA-N 2 0 321.468 4.121 20 30 DIEDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447541650 1045143789 /nfs/dbraw/zinc/14/37/89/1045143789.db2.gz NCMAFRXHSXSAHM-XLIONFOSSA-N 2 0 313.489 4.111 20 30 DIEDRP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000447561226 1045149261 /nfs/dbraw/zinc/14/92/61/1045149261.db2.gz GYONLVPBXOAODY-IBGZPJMESA-N 2 0 301.478 4.108 20 30 DIEDRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185713 1045232253 /nfs/dbraw/zinc/23/22/53/1045232253.db2.gz OOGPSMHBTARMMK-HOTGVXAUSA-N 2 0 307.441 4.032 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449249217 1045366820 /nfs/dbraw/zinc/36/68/20/1045366820.db2.gz IMYARZWUPMNGMC-KRWDZBQOSA-N 2 0 301.478 4.023 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344333 1046986052 /nfs/dbraw/zinc/98/60/52/1046986052.db2.gz OILLHXUZFOPRBK-SXLOBPIMSA-N 2 0 300.490 4.056 20 30 DIEDRP C=CCCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccccc1 ZINC001183551469 1047943140 /nfs/dbraw/zinc/94/31/40/1047943140.db2.gz RMMHYLRCTRPORN-FQEVSTJZSA-N 2 0 300.490 4.406 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001199295158 1048053316 /nfs/dbraw/zinc/05/33/16/1048053316.db2.gz FWFKGUJOOTUTCX-XLIONFOSSA-N 2 0 300.490 4.361 20 30 DIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000776163505 1048251450 /nfs/dbraw/zinc/25/14/50/1048251450.db2.gz SRZUOZJAKHVOHA-PBPGXSGUSA-N 2 0 311.473 4.006 20 30 DIEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001177132249 1048836658 /nfs/dbraw/zinc/83/66/58/1048836658.db2.gz DGTCQWAPROIURC-PXNSSMCTSA-N 2 0 300.490 4.363 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)N(CC)CC)C1 ZINC001177221858 1048847867 /nfs/dbraw/zinc/84/78/67/1048847867.db2.gz DPIDYJHRZRAONF-HLAWJBBLSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)N(CC)CC)C1 ZINC001177221859 1048850525 /nfs/dbraw/zinc/85/05/25/1048850525.db2.gz DPIDYJHRZRAONF-HMXCVIKNSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](CC)CC1 ZINC001205093495 1049372506 /nfs/dbraw/zinc/37/25/06/1049372506.db2.gz GPLFSIAKMOKPRK-UHFFFAOYSA-N 2 0 312.910 4.121 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC001206744070 1049790705 /nfs/dbraw/zinc/79/07/05/1049790705.db2.gz FQJDDSCIUGHESR-HXUWFJFHSA-N 2 0 324.512 4.282 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001208176525 1049981211 /nfs/dbraw/zinc/98/12/11/1049981211.db2.gz FTUODNHNRPIEGW-HXUWFJFHSA-N 2 0 304.522 4.341 20 30 DIEDRP C=CCCC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209163713 1050041058 /nfs/dbraw/zinc/04/10/58/1050041058.db2.gz ILVJPWJVRMYXRH-UHFFFAOYSA-N 2 0 312.501 4.331 20 30 DIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000591582461 1050178452 /nfs/dbraw/zinc/17/84/52/1050178452.db2.gz JKKQIEIWWZPZJA-LEWJYISDSA-N 2 0 319.452 4.005 20 30 DIEDRP CC(C)[PH+](CC[NH2+][C@H](C)Cc1ccc(C#N)cc1)C(C)C ZINC001172303960 1051334391 /nfs/dbraw/zinc/33/43/91/1051334391.db2.gz GUCLSQVBSZQMHT-MRXNPFEDSA-N 2 0 304.418 4.378 20 30 DIEDRP Cc1ccccc1C[N@@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491649 1051417995 /nfs/dbraw/zinc/41/79/95/1051417995.db2.gz IANPUHWTTGOVLO-IHPCNDPISA-N 2 0 313.489 4.149 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172503515 1051422208 /nfs/dbraw/zinc/42/22/08/1051422208.db2.gz RMAXYCGMRSTBHA-GOSISDBHSA-N 2 0 312.542 4.345 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172509091 1051426386 /nfs/dbraw/zinc/42/63/86/1051426386.db2.gz SGTSLZQSYIASHB-GOSISDBHSA-N 2 0 312.542 4.345 20 30 DIEDRP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC([NH+](CC)CC)CC1 ZINC001173114835 1051611505 /nfs/dbraw/zinc/61/15/05/1051611505.db2.gz UJHZAGHXRKQYQF-QETWGEEDSA-N 2 0 324.512 4.262 20 30 DIEDRP N#CCC1CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173329798 1051695562 /nfs/dbraw/zinc/69/55/62/1051695562.db2.gz NGDOQMUPNVAIIK-UHFFFAOYSA-N 2 0 317.521 4.093 20 30 DIEDRP N#CCC1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334197 1051697438 /nfs/dbraw/zinc/69/74/38/1051697438.db2.gz UHUPNMVOXZLCCS-SUVNUQANSA-N 2 0 317.521 4.363 20 30 DIEDRP Cc1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)ccc1C#N ZINC000767688396 1051837559 /nfs/dbraw/zinc/83/75/59/1051837559.db2.gz JZDGHPICDGVSHA-UHFFFAOYSA-N 2 0 313.489 4.003 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433672 1052345916 /nfs/dbraw/zinc/34/59/16/1052345916.db2.gz PEVWTZYATOHJOV-GNBUJSLZSA-N 2 0 300.490 4.087 20 30 DIEDRP C=CCCC[C@@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000126328613 1052669222 /nfs/dbraw/zinc/66/92/22/1052669222.db2.gz KNOCSPODYSFOEQ-GOSISDBHSA-N 2 0 300.490 4.028 20 30 DIEDRP CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000100019581 1053299570 /nfs/dbraw/zinc/29/95/70/1053299570.db2.gz PVDQBIRQBQYESL-IBGZPJMESA-N 2 0 318.505 4.207 20 30 DIEDRP CCCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090652 1054654575 /nfs/dbraw/zinc/65/45/75/1054654575.db2.gz RXAJCODBQHUZNO-KRWDZBQOSA-N 2 0 316.480 4.448 20 30 DIEDRP C=CCCCCCCCCC[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235397066 1054711201 /nfs/dbraw/zinc/71/12/01/1054711201.db2.gz OFZBHHHTPXLAKX-ROUUACIJSA-N 2 0 310.501 4.302 20 30 DIEDRP CCCCCCC[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377132 1054712190 /nfs/dbraw/zinc/71/21/90/1054712190.db2.gz AKCRUNYKMDNWMI-UXHICEINSA-N 2 0 300.490 4.036 20 30 DIEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236362384 1055071784 /nfs/dbraw/zinc/07/17/84/1055071784.db2.gz ZCUVWMTYEHFPAB-QFIPXVFZSA-N 2 0 318.464 4.322 20 30 DIEDRP C=CCCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402111 1055094002 /nfs/dbraw/zinc/09/40/02/1055094002.db2.gz VKJXMPBKDBEFAH-UHFFFAOYSA-N 2 0 304.453 4.126 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550178 1055178146 /nfs/dbraw/zinc/17/81/46/1055178146.db2.gz FJDHMAXKFDHUPU-VAMGGRTRSA-N 2 0 302.506 4.271 20 30 DIEDRP CCCCCCC[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236563094 1055186830 /nfs/dbraw/zinc/18/68/30/1055186830.db2.gz ZLKGBNCVVQQRRA-WGSAOQKQSA-N 2 0 303.494 4.124 20 30 DIEDRP CCCCCCCCCCC[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236616503 1055205396 /nfs/dbraw/zinc/20/53/96/1055205396.db2.gz OJHJURGGEZRSGC-IBGZPJMESA-N 2 0 323.569 4.015 20 30 DIEDRP CCC(CC)[N@H+](Cc1ccc(C#N)cc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790335 1055261019 /nfs/dbraw/zinc/26/10/19/1055261019.db2.gz GEVSMARHALYMRY-KESTWPANSA-N 2 0 313.489 4.127 20 30 DIEDRP C=CCCCC[N@@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236913029 1055310885 /nfs/dbraw/zinc/31/08/85/1055310885.db2.gz YVBFQTUTUYMCPA-UHFFFAOYSA-N 2 0 303.837 4.314 20 30 DIEDRP C=CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000766020090 1057121075 /nfs/dbraw/zinc/12/10/75/1057121075.db2.gz MGSQLIAVWNLQRU-FQEVSTJZSA-N 2 0 313.489 4.086 20 30 DIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C[NH2+]C)cc2)cc1 ZINC001242994897 1057540303 /nfs/dbraw/zinc/54/03/03/1057540303.db2.gz UJIWMSXMDXSNCX-OAQYLSRUSA-N 2 0 306.453 4.396 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001246037707 1058655328 /nfs/dbraw/zinc/65/53/28/1058655328.db2.gz XDJYFHBKSDMBPS-IBGZPJMESA-N 2 0 324.553 4.096 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025706 1058655516 /nfs/dbraw/zinc/65/55/16/1058655516.db2.gz ZIJZINYKOSDVPD-OALUTQOASA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007638 1058656442 /nfs/dbraw/zinc/65/64/42/1058656442.db2.gz YEINHZZCNAWYKV-NMLBUPMWSA-N 2 0 324.553 4.141 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001246060655 1058660289 /nfs/dbraw/zinc/66/02/89/1058660289.db2.gz QQPQRDNDFYUTCI-OALUTQOASA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246129283 1058689770 /nfs/dbraw/zinc/68/97/70/1058689770.db2.gz DNSQIFBMMNYPMD-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]CC[C@H]1CCOC12CC[NH2+]CC2 ZINC001246140347 1058696476 /nfs/dbraw/zinc/69/64/76/1058696476.db2.gz NWBNBSVVCCTFAK-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246149685 1058698288 /nfs/dbraw/zinc/69/82/88/1058698288.db2.gz LFRLEGGSESWHJL-YRPNKDGESA-N 2 0 324.553 4.118 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246149762 1058699061 /nfs/dbraw/zinc/69/90/61/1058699061.db2.gz UBRPMGHSNSBAIO-HSALFYBXSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155990 1058701871 /nfs/dbraw/zinc/70/18/71/1058701871.db2.gz HRPJFKWDHXGEID-UFYCRDLUSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155904 1058702484 /nfs/dbraw/zinc/70/24/84/1058702484.db2.gz HFRUHBKNODVDHO-XUVXKRRUSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155902 1058702889 /nfs/dbraw/zinc/70/28/89/1058702889.db2.gz HFRUHBKNODVDHO-SLFFLAALSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180217 1058727241 /nfs/dbraw/zinc/72/72/41/1058727241.db2.gz QPVUDQASSMNVQE-MOPGFXCFSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180231 1058728568 /nfs/dbraw/zinc/72/85/68/1058728568.db2.gz QQOJMSLUXIJEEH-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246250675 1058766891 /nfs/dbraw/zinc/76/68/91/1058766891.db2.gz XOHNWLBBLHKGQG-PMACEKPBSA-N 2 0 302.506 4.300 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246251619 1058770260 /nfs/dbraw/zinc/77/02/60/1058770260.db2.gz XNFWVNAFKALOPA-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300424 1058810933 /nfs/dbraw/zinc/81/09/33/1058810933.db2.gz NUFOTBOOGCPGHP-IYWMVGAKSA-N 2 0 313.489 4.154 20 30 DIEDRP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301578 1058811598 /nfs/dbraw/zinc/81/15/98/1058811598.db2.gz TVPUUHIUNYYATH-CEXWTWQISA-N 2 0 313.489 4.012 20 30 DIEDRP CC[C@H]1CC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300420 1058813068 /nfs/dbraw/zinc/81/30/68/1058813068.db2.gz NUFOTBOOGCPGHP-CMKODMSKSA-N 2 0 313.489 4.154 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001246340622 1058845940 /nfs/dbraw/zinc/84/59/40/1058845940.db2.gz LIZKJKOMRPDQLA-UHOSZYNNSA-N 2 0 303.494 4.071 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246443928 1058934598 /nfs/dbraw/zinc/93/45/98/1058934598.db2.gz PKYKQGWVSZEAME-DNVCBOLYSA-N 2 0 304.453 4.201 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246443929 1058935704 /nfs/dbraw/zinc/93/57/04/1058935704.db2.gz PKYKQGWVSZEAME-HNAYVOBHSA-N 2 0 304.453 4.201 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246451530 1058941730 /nfs/dbraw/zinc/94/17/30/1058941730.db2.gz NQQFVSBLWUWOJT-HNAYVOBHSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCC[C@H](CC)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561293 1059008039 /nfs/dbraw/zinc/00/80/39/1059008039.db2.gz WCXBUPIAVLFFPU-HOTGVXAUSA-N 2 0 304.469 4.432 20 30 DIEDRP CC1(C#N)CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246597855 1059023631 /nfs/dbraw/zinc/02/36/31/1059023631.db2.gz XJUHFSJDJXHMSG-UHFFFAOYSA-N 2 0 317.521 4.095 20 30 DIEDRP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246638296 1059042160 /nfs/dbraw/zinc/04/21/60/1059042160.db2.gz LKBALMSYAVDMBX-SJORKVTESA-N 2 0 316.480 4.446 20 30 DIEDRP N#CCC[N@H+]([C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770771 1059075837 /nfs/dbraw/zinc/07/58/37/1059075837.db2.gz SKHHMKXQULLEJV-VQTJNVASSA-N 2 0 317.521 4.237 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246797740 1059100244 /nfs/dbraw/zinc/10/02/44/1059100244.db2.gz VMKRZTXYENIOAW-UHFFFAOYSA-N 2 0 312.501 4.377 20 30 DIEDRP C#CCN([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815957 1059110682 /nfs/dbraw/zinc/11/06/82/1059110682.db2.gz FWSKFCLRQRDYRV-PZJWPPBQSA-N 2 0 322.496 4.064 20 30 DIEDRP C[NH2+]CC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888038 1059155035 /nfs/dbraw/zinc/15/50/35/1059155035.db2.gz QIRSZTLCXJZBJE-ROUUACIJSA-N 2 0 321.468 4.119 20 30 DIEDRP CCCC[C@@H]1C[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922869 1059180151 /nfs/dbraw/zinc/18/01/51/1059180151.db2.gz MMVAAWUXTYAXJH-FGZHOGPDSA-N 2 0 324.512 4.061 20 30 DIEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246951137 1059194032 /nfs/dbraw/zinc/19/40/32/1059194032.db2.gz XYPMNWGZMRYSLO-FPOVZHCZSA-N 2 0 312.501 4.170 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966282 1059211156 /nfs/dbraw/zinc/21/11/56/1059211156.db2.gz VXSOMIAKAGXTME-MRXNPFEDSA-N 2 0 304.453 4.043 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246972322 1059218517 /nfs/dbraw/zinc/21/85/17/1059218517.db2.gz HKNRWQXPEIKCBO-MISYRCLQSA-N 2 0 300.490 4.422 20 30 DIEDRP C=CCCC[N@@H+](CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560204769 1059985578 /nfs/dbraw/zinc/98/55/78/1059985578.db2.gz ZBJGSNVEUBFICI-UHFFFAOYSA-N 2 0 300.490 4.461 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560798072 1060658521 /nfs/dbraw/zinc/65/85/21/1060658521.db2.gz WTOQVQZNABFCRU-QUCCMNQESA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC001560971911 1060835586 /nfs/dbraw/zinc/83/55/86/1060835586.db2.gz WFNGWDFGVXZHQJ-IBGZPJMESA-N 2 0 314.517 4.375 20 30 DIEDRP C=CC(C)(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC001474219266 1061778319 /nfs/dbraw/zinc/77/83/19/1061778319.db2.gz XPRANTREMNUHAH-IBGZPJMESA-N 2 0 312.501 4.376 20 30 DIEDRP CC[C@@H](CC#N)[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162055 1062348969 /nfs/dbraw/zinc/34/89/69/1062348969.db2.gz GCJYDVPBEBWLQI-BZSNNMDCSA-N 2 0 319.880 4.104 20 30 DIEDRP CCCC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321711 1062398547 /nfs/dbraw/zinc/39/85/47/1062398547.db2.gz WDVTWSULXKXGLA-NSISKUIASA-N 2 0 313.489 4.209 20 30 DIEDRP SCCCCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398779 1062433189 /nfs/dbraw/zinc/43/31/89/1062433189.db2.gz XSLFKWJKKNUBOM-LJQANCHMSA-N 2 0 320.546 4.121 20 30 DIEDRP C=CCCCC[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409201 1062442192 /nfs/dbraw/zinc/44/21/92/1062442192.db2.gz SYVKLGMHAMLZNT-HXUWFJFHSA-N 2 0 300.490 4.329 20 30 DIEDRP CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001460049960 1062599009 /nfs/dbraw/zinc/59/90/09/1062599009.db2.gz ZOGRAYLNMMIENS-BGYRXZFFSA-N 2 0 300.490 4.021 20 30 DIEDRP C=CC[C@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001460313217 1062776353 /nfs/dbraw/zinc/77/63/53/1062776353.db2.gz CYXNQZFSHUJMNF-IBGZPJMESA-N 2 0 312.501 4.329 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]CCc3ccc(C[NH+](C)C)cc3)C[C@H](C1)C2 ZINC001257888602 1063428418 /nfs/dbraw/zinc/42/84/18/1063428418.db2.gz UXJUYWLKVRTMNX-WCRBZPEASA-N 2 0 312.501 4.015 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC(C)([NH+]4CCCC4)CC3)C[C@H](C1)C2 ZINC001257894060 1063431779 /nfs/dbraw/zinc/43/17/79/1063431779.db2.gz KBYOTHGBGROCLJ-DFNIBXOVSA-N 2 0 302.506 4.072 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049318 1063481673 /nfs/dbraw/zinc/48/16/73/1063481673.db2.gz FCVLJTZYBMZILD-ICSRJNTNSA-N 2 0 324.553 4.311 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001258230992 1063571644 /nfs/dbraw/zinc/57/16/44/1063571644.db2.gz FNIOGJUDBHKBQC-SFHVURJKSA-N 2 0 312.542 4.345 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722581 1063776481 /nfs/dbraw/zinc/77/64/81/1063776481.db2.gz KEGKIGLJSRLVHW-ATZDWAIDSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736726 1063783450 /nfs/dbraw/zinc/78/34/50/1063783450.db2.gz ZMRMAZWXCGYCDB-CEWLAPEOSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734020 1063784202 /nfs/dbraw/zinc/78/42/02/1063784202.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 2 0 312.501 4.329 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001279491188 1064354254 /nfs/dbraw/zinc/35/42/54/1064354254.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 2 0 302.506 4.097 20 30 DIEDRP C=CCCCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001307761344 1065609222 /nfs/dbraw/zinc/60/92/22/1065609222.db2.gz FFMZSWRFZVBLDJ-NRFANRHFSA-N 2 0 312.501 4.331 20 30 DIEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001308814648 1066292048 /nfs/dbraw/zinc/29/20/48/1066292048.db2.gz KPYWMDUJSNRUFE-OAQYLSRUSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001308814647 1066292070 /nfs/dbraw/zinc/29/20/70/1066292070.db2.gz KPYWMDUJSNRUFE-NRFANRHFSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976565 1066429074 /nfs/dbraw/zinc/42/90/74/1066429074.db2.gz XLUOFVCQORYYRP-PBASOCQRSA-N 2 0 312.501 4.231 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976562 1066429499 /nfs/dbraw/zinc/42/94/99/1066429499.db2.gz XLUOFVCQORYYRP-AYWYSENESA-N 2 0 312.501 4.231 20 30 DIEDRP C=CCC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccco1 ZINC000286258693 335030781 /nfs/dbraw/zinc/03/07/81/335030781.db2.gz USQGFQIFEYGDNR-SFHVURJKSA-N 2 0 316.420 4.277 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](CC(C)(C)CCC#N)CC1)CC(C)C ZINC000583052263 337230232 /nfs/dbraw/zinc/23/02/32/337230232.db2.gz ZLLYPHMOONBXCU-UHFFFAOYSA-N 2 0 321.553 4.396 20 30 DIEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029554 337696433 /nfs/dbraw/zinc/69/64/33/337696433.db2.gz IIZYNFRRXSILRB-SJORKVTESA-N 2 0 321.468 4.393 20 30 DIEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449306352 338611414 /nfs/dbraw/zinc/61/14/14/338611414.db2.gz WFRUDOJOEAWJDL-MJGOQNOKSA-N 2 0 300.490 4.026 20 30 DIEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459737767 339045328 /nfs/dbraw/zinc/04/53/28/339045328.db2.gz WLUSGPCYLVZQNB-UHFFFAOYSA-N 2 0 307.526 4.195 20 30 DIEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000542664507 341016111 /nfs/dbraw/zinc/01/61/11/341016111.db2.gz YWHWINVKNKGNHO-KRWDZBQOSA-N 2 0 312.457 4.356 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000602544508 1038033440 /nfs/dbraw/zinc/03/34/40/1038033440.db2.gz CFRZTPIOXUYFAZ-SFHVURJKSA-N 2 0 313.489 4.092 20 30 DIEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000599662130 1038330766 /nfs/dbraw/zinc/33/07/66/1038330766.db2.gz ZCZNHBHPEPQJJY-KRWDZBQOSA-N 2 0 321.468 4.203 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](CCC(C)(C)C#N)CC1)CC(C)C ZINC000539613662 1039300627 /nfs/dbraw/zinc/30/06/27/1039300627.db2.gz FYMMJXKOCCNQHF-UHFFFAOYSA-N 2 0 307.526 4.006 20 30 DIEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906814 1039880312 /nfs/dbraw/zinc/88/03/12/1039880312.db2.gz CEXSHKLCBJZGGK-HOTGVXAUSA-N 2 0 317.452 4.003 20 30 DIEDRP C=C(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205210 1040110864 /nfs/dbraw/zinc/11/08/64/1040110864.db2.gz CPXMTWMJWBHYII-SIKLNZKXSA-N 2 0 320.480 4.200 20 30 DIEDRP C=CCN1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414110185 1040875267 /nfs/dbraw/zinc/87/52/67/1040875267.db2.gz HXKGSRYVLJGTAR-APWZRJJASA-N 2 0 318.892 4.216 20 30 DIEDRP C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602809 1043435777 /nfs/dbraw/zinc/43/57/77/1043435777.db2.gz XYMLOWHCNLSQLW-UTKZUKDTSA-N 2 0 321.468 4.444 20 30 DIEDRP N#CC1(CCCC[NH2+][C@H](Cn2ccnc2)c2ccccc2)CCC1 ZINC000931706583 1044063638 /nfs/dbraw/zinc/06/36/38/1044063638.db2.gz GKSAKKGQJUVTKV-LJQANCHMSA-N 2 0 322.456 4.078 20 30 DIEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000886512677 1044652126 /nfs/dbraw/zinc/65/21/26/1044652126.db2.gz KXBJGUDVEBGEPS-DZIBYMRMSA-N 2 0 311.473 4.006 20 30 DIEDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447535581 1045140877 /nfs/dbraw/zinc/14/08/77/1045140877.db2.gz HFSJVUIZIIBQIZ-PXNSSMCTSA-N 2 0 313.489 4.254 20 30 DIEDRP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000447561227 1045149379 /nfs/dbraw/zinc/14/93/79/1045149379.db2.gz GYONLVPBXOAODY-LJQANCHMSA-N 2 0 301.478 4.108 20 30 DIEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000449120478 1045349202 /nfs/dbraw/zinc/34/92/02/1045349202.db2.gz DCDFUWWDEYFLCO-GPJFCIFZSA-N 2 0 317.521 4.093 20 30 DIEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449306350 1045374192 /nfs/dbraw/zinc/37/41/92/1045374192.db2.gz WFRUDOJOEAWJDL-HKUYNNGSSA-N 2 0 300.490 4.026 20 30 DIEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000120737946 1047499382 /nfs/dbraw/zinc/49/93/82/1047499382.db2.gz CPRGYNASVSMPRH-QFBILLFUSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CCCC[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538121646 1047658451 /nfs/dbraw/zinc/65/84/51/1047658451.db2.gz AMMVLUWZYZHFOV-SFHVURJKSA-N 2 0 315.505 4.365 20 30 DIEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC001201608809 1048329460 /nfs/dbraw/zinc/32/94/60/1048329460.db2.gz QEQPSMSYJXCTLW-LHQJTOJGSA-N 2 0 304.522 4.364 20 30 DIEDRP C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775411915 1048786827 /nfs/dbraw/zinc/78/68/27/1048786827.db2.gz YKUCXJCTTVBGOF-IAGOWNOFSA-N 2 0 316.489 4.296 20 30 DIEDRP CCCCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233687 1048905784 /nfs/dbraw/zinc/90/57/84/1048905784.db2.gz PJLKESHQIALJME-FQEVSTJZSA-N 2 0 302.506 4.411 20 30 DIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000192938250 1049031667 /nfs/dbraw/zinc/03/16/67/1049031667.db2.gz SDFGTJNQOBGGOQ-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C2CC[NH+](CCCC)CC2)CC1 ZINC001208179192 1049982360 /nfs/dbraw/zinc/98/23/60/1049982360.db2.gz QQWGXOSSGAXCCM-LJQANCHMSA-N 2 0 304.522 4.485 20 30 DIEDRP C=CCCCC[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946725 1050028691 /nfs/dbraw/zinc/02/86/91/1050028691.db2.gz WIOKRNFLZHHAGT-FQEVSTJZSA-N 2 0 300.490 4.187 20 30 DIEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594492985 1050516141 /nfs/dbraw/zinc/51/61/41/1050516141.db2.gz ASPNOYXKUFBIIZ-KRWDZBQOSA-N 2 0 315.505 4.088 20 30 DIEDRP CCCCCCCCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172245570 1051330160 /nfs/dbraw/zinc/33/01/60/1051330160.db2.gz WWYFOHDEYUBMTF-UHFFFAOYSA-N 2 0 312.542 4.218 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172351820 1051367800 /nfs/dbraw/zinc/36/78/00/1051367800.db2.gz VXBWKSBUYQGKPS-VAMGGRTRSA-N 2 0 324.553 4.359 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172351819 1051368354 /nfs/dbraw/zinc/36/83/54/1051368354.db2.gz VXBWKSBUYQGKPS-UFYCRDLUSA-N 2 0 324.553 4.359 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172501548 1051420786 /nfs/dbraw/zinc/42/07/86/1051420786.db2.gz DBHTWIGEXBGQME-IBGZPJMESA-N 2 0 324.553 4.216 20 30 DIEDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172507446 1051424016 /nfs/dbraw/zinc/42/40/16/1051424016.db2.gz URDGMRZXGSIMPP-GOSISDBHSA-N 2 0 313.489 4.055 20 30 DIEDRP C=CCCCCCCCC[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235297258 1054697343 /nfs/dbraw/zinc/69/73/43/1054697343.db2.gz WJVULLBLZNEDLW-UHFFFAOYSA-N 2 0 322.537 4.136 20 30 DIEDRP CCCCCCC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348122 1054706031 /nfs/dbraw/zinc/70/60/31/1054706031.db2.gz AKCRUNYKMDNWMI-WOJBJXKFSA-N 2 0 300.490 4.036 20 30 DIEDRP CCCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235751018 1054797171 /nfs/dbraw/zinc/79/71/71/1054797171.db2.gz URJKQZZAOFISMA-IBGZPJMESA-N 2 0 318.505 4.207 20 30 DIEDRP C#Cc1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236758519 1055250458 /nfs/dbraw/zinc/25/04/58/1055250458.db2.gz IMBMONINCLGMNS-HZCBDIJESA-N 2 0 324.512 4.320 20 30 DIEDRP CCC(CC)[N@H+](Cc1ccccc1CC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790391 1055264023 /nfs/dbraw/zinc/26/40/23/1055264023.db2.gz HCVQEJQWNBTHBX-KESTWPANSA-N 2 0 313.489 4.013 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001620757241 1055927725 /nfs/dbraw/zinc/92/77/25/1055927725.db2.gz FDSKWZXNOAMILY-AEFFLSMTSA-N 2 0 318.530 4.295 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000675782639 1057413144 /nfs/dbraw/zinc/41/31/44/1057413144.db2.gz WHDNJTCTXWZBAP-UWJYYQICSA-N 2 0 312.501 4.333 20 30 DIEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014334 1058655172 /nfs/dbraw/zinc/65/51/72/1058655172.db2.gz LFUVVZJEHARDTQ-RTBURBONSA-N 2 0 324.553 4.142 20 30 DIEDRP C=CCCCCCC[C@H](O)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066740 1058659786 /nfs/dbraw/zinc/65/97/86/1058659786.db2.gz BHESZHOJLHFAQB-UFYCRDLUSA-N 2 0 324.553 4.102 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246123732 1058686715 /nfs/dbraw/zinc/68/67/15/1058686715.db2.gz AZDSFYBKGNTBAD-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124841 1058687045 /nfs/dbraw/zinc/68/70/45/1058687045.db2.gz GQLVNJVRBOBHFE-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246132586 1058689920 /nfs/dbraw/zinc/68/99/20/1058689920.db2.gz FGAGRRZZOPDIIE-MRXNPFEDSA-N 2 0 321.509 4.329 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246130341 1058690251 /nfs/dbraw/zinc/69/02/51/1058690251.db2.gz GABDQVOPWPDDJP-RTBURBONSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246132034 1058690482 /nfs/dbraw/zinc/69/04/82/1058690482.db2.gz CHCVCHARPCKJJQ-MRXNPFEDSA-N 2 0 321.509 4.329 20 30 DIEDRP CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001246137032 1058693745 /nfs/dbraw/zinc/69/37/45/1058693745.db2.gz UDLBKJLOSHNGQT-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246140250 1058696931 /nfs/dbraw/zinc/69/69/31/1058696931.db2.gz ZWGXEKYCVSVQHG-RBUKOAKNSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001246151676 1058699009 /nfs/dbraw/zinc/69/90/09/1058699009.db2.gz JPSSARADLUTCIA-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246148711 1058700019 /nfs/dbraw/zinc/70/00/19/1058700019.db2.gz QDSXMKZYYGPXAC-ZCNNSNEGSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001246150377 1058700272 /nfs/dbraw/zinc/70/02/72/1058700272.db2.gz GKCPZOUMSOQSNL-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246171353 1058715924 /nfs/dbraw/zinc/71/59/24/1058715924.db2.gz JJRUJRBZQCVMAZ-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180225 1058726536 /nfs/dbraw/zinc/72/65/36/1058726536.db2.gz QPVUDQASSMNVQE-RTBURBONSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246181934 1058726758 /nfs/dbraw/zinc/72/67/58/1058726758.db2.gz SUYWWJWKOFCGBT-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246250977 1058767664 /nfs/dbraw/zinc/76/76/64/1058767664.db2.gz VSUPFFILYZAOLA-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246259236 1058781737 /nfs/dbraw/zinc/78/17/37/1058781737.db2.gz ZVZXKWZFDYEBNQ-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246259234 1058781867 /nfs/dbraw/zinc/78/18/67/1058781867.db2.gz ZVZXKWZFDYEBNQ-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CC1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC001246372936 1058878509 /nfs/dbraw/zinc/87/85/09/1058878509.db2.gz UVNMFHNUIABNFY-MRXNPFEDSA-N 2 0 320.908 4.197 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]C1(c2cccnc2)CC[NH2+]CC1 ZINC001246424199 1058923407 /nfs/dbraw/zinc/92/34/07/1058923407.db2.gz PRWUCGGFGOBXDD-IBGZPJMESA-N 2 0 317.521 4.389 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246443930 1058934262 /nfs/dbraw/zinc/93/42/62/1058934262.db2.gz PKYKQGWVSZEAME-KXBFYZLASA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553694 1058998624 /nfs/dbraw/zinc/99/86/24/1058998624.db2.gz BVCSBEBJBDGPKQ-JKSUJKDBSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246550143 1059000922 /nfs/dbraw/zinc/00/09/22/1059000922.db2.gz JFBAEQPISGIQJK-MOPGFXCFSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635566 1059045212 /nfs/dbraw/zinc/04/52/12/1059045212.db2.gz CQBDZAKPUGAXJT-CVEARBPZSA-N 2 0 302.453 4.056 20 30 DIEDRP CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658756 1059057180 /nfs/dbraw/zinc/05/71/80/1059057180.db2.gz VVQXQAPLHGKCNX-XHSDSOJGSA-N 2 0 320.443 4.209 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246794952 1059098298 /nfs/dbraw/zinc/09/82/98/1059098298.db2.gz LHGYXTKKISELTQ-RTBURBONSA-N 2 0 300.490 4.374 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794949 1059098852 /nfs/dbraw/zinc/09/88/52/1059098852.db2.gz LHGYXTKKISELTQ-PMOLBWCYSA-N 2 0 300.490 4.374 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933472 1059180778 /nfs/dbraw/zinc/18/07/78/1059180778.db2.gz IVXKQHSAYUXHME-KKUMJFAQSA-N 2 0 308.432 4.337 20 30 DIEDRP C=C1C[C@@H]2CC([N@H+](CC(C)(C)C)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246946779 1059193273 /nfs/dbraw/zinc/19/32/73/1059193273.db2.gz PFQXSUCPSCVCRQ-JJTKIYQPSA-N 2 0 304.522 4.221 20 30 DIEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246951151 1059193981 /nfs/dbraw/zinc/19/39/81/1059193981.db2.gz XYPMNWGZMRYSLO-TZIWHRDSSA-N 2 0 312.501 4.170 20 30 DIEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246951133 1059195497 /nfs/dbraw/zinc/19/54/97/1059195497.db2.gz XYPMNWGZMRYSLO-CTNGQTDRSA-N 2 0 312.501 4.170 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246969816 1059214149 /nfs/dbraw/zinc/21/41/49/1059214149.db2.gz WFZJTGCUZACKFS-MOPGFXCFSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC001560971912 1060835828 /nfs/dbraw/zinc/83/58/28/1060835828.db2.gz WFNGWDFGVXZHQJ-LJQANCHMSA-N 2 0 314.517 4.375 20 30 DIEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473661737 1061325756 /nfs/dbraw/zinc/32/57/56/1061325756.db2.gz BSGIWKNGJDMNIW-OYRHEFFESA-N 2 0 310.485 4.356 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252982378 1061773303 /nfs/dbraw/zinc/77/33/03/1061773303.db2.gz CNVTZDMUHOVJKU-IBGZPJMESA-N 2 0 314.558 4.200 20 30 DIEDRP C=CCCCCCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253242567 1061842729 /nfs/dbraw/zinc/84/27/29/1061842729.db2.gz NGUGPJOARNQPNO-FQEVSTJZSA-N 2 0 324.553 4.070 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001461120728 1063272127 /nfs/dbraw/zinc/27/21/27/1063272127.db2.gz LZMVJWYKRLTWPI-HLAWJBBLSA-N 2 0 312.501 4.233 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CC[NH+](CC4CCCC4)CC3)C[C@H](C1)C2 ZINC001257890594 1063428528 /nfs/dbraw/zinc/42/85/28/1063428528.db2.gz QOXFNJHKSFZMPX-PMSBKCLSSA-N 2 0 316.533 4.366 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049320 1063482157 /nfs/dbraw/zinc/48/21/57/1063482157.db2.gz FCVLJTZYBMZILD-UYAOXDASSA-N 2 0 324.553 4.311 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258049333 1063482339 /nfs/dbraw/zinc/48/23/39/1063482339.db2.gz FEDFWVYXRQGZNO-GOSISDBHSA-N 2 0 324.553 4.311 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723568 1063776736 /nfs/dbraw/zinc/77/67/36/1063776736.db2.gz YPELEJRYBDCKTI-KBAYOESNSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001258722385 1063777307 /nfs/dbraw/zinc/77/73/07/1063777307.db2.gz HODBQWNWUQEINB-INIZCTEOSA-N 2 0 320.908 4.496 20 30 DIEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001258725337 1063778327 /nfs/dbraw/zinc/77/83/27/1063778327.db2.gz JBTUOBTUWDVMBY-HBFSDRIKSA-N 2 0 300.490 4.089 20 30 DIEDRP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000174250362 333084004 /nfs/dbraw/zinc/08/40/04/333084004.db2.gz UJUXYMQBCHPSHQ-UHFFFAOYSA-N 2 0 313.489 4.092 20 30 DIEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029600 337696438 /nfs/dbraw/zinc/69/64/38/337696438.db2.gz IPCBFTQXHIGDNE-ARFHVFGLSA-N 2 0 307.441 4.002 20 30 DIEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029602 337696450 /nfs/dbraw/zinc/69/64/50/337696450.db2.gz IPCBFTQXHIGDNE-JYJNAYRXSA-N 2 0 307.441 4.002 20 30 DIEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000120728666 337878402 /nfs/dbraw/zinc/87/84/02/337878402.db2.gz QTOWDGGJSJOHJG-IBGZPJMESA-N 2 0 318.530 4.295 20 30 DIEDRP CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447509397 338553191 /nfs/dbraw/zinc/55/31/91/338553191.db2.gz MPFQHRMJSVQYEG-APWZRJJASA-N 2 0 301.478 4.109 20 30 DIEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650035 340370945 /nfs/dbraw/zinc/37/09/45/340370945.db2.gz WNRAZXWDGHUDAX-HZPDHXFCSA-N 2 0 317.452 4.003 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208686 1036060732 /nfs/dbraw/zinc/06/07/32/1036060732.db2.gz XTOVOMKKLVRUPM-SFTDATJTSA-N 2 0 312.501 4.187 20 30 DIEDRP C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000379645502 1037044076 /nfs/dbraw/zinc/04/40/76/1037044076.db2.gz HVWKUCLUFCTNBC-MSOLQXFVSA-N 2 0 321.468 4.119 20 30 DIEDRP C#CCCCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503771 1038480098 /nfs/dbraw/zinc/48/00/98/1038480098.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 2 0 312.501 4.024 20 30 DIEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906812 1039881498 /nfs/dbraw/zinc/88/14/98/1039881498.db2.gz CEXSHKLCBJZGGK-CVEARBPZSA-N 2 0 317.452 4.003 20 30 DIEDRP C=C(C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205208 1040110983 /nfs/dbraw/zinc/11/09/83/1040110983.db2.gz CPXMTWMJWBHYII-KNQAVFIVSA-N 2 0 320.480 4.200 20 30 DIEDRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423524366 1042717220 /nfs/dbraw/zinc/71/72/20/1042717220.db2.gz WYJPTRVMLMJQAF-WOJBJXKFSA-N 2 0 307.441 4.079 20 30 DIEDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000173899414 1043055943 /nfs/dbraw/zinc/05/59/43/1043055943.db2.gz RPAXSCLKFISWID-KRWDZBQOSA-N 2 0 319.452 4.005 20 30 DIEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000930117656 1043879539 /nfs/dbraw/zinc/87/95/39/1043879539.db2.gz SRNCFQONBJFMCT-UHFFFAOYSA-N 2 0 313.489 4.044 20 30 DIEDRP C=CC[C@H]1[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1(C)C ZINC000446827050 1045047197 /nfs/dbraw/zinc/04/71/97/1045047197.db2.gz LYDXTIRTULTJCM-LJQANCHMSA-N 2 0 324.472 4.142 20 30 DIEDRP N#CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903176201 1046182587 /nfs/dbraw/zinc/18/25/87/1046182587.db2.gz ZKIJWELIZYFWHI-KRIYCRJKSA-N 2 0 323.484 4.169 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936182 1046990399 /nfs/dbraw/zinc/99/03/99/1046990399.db2.gz ZDGBHPXZHOPOOZ-CMKODMSKSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCCCCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000839109168 1047194806 /nfs/dbraw/zinc/19/48/06/1047194806.db2.gz PHDMTBMWARTUJJ-UHFFFAOYSA-N 2 0 301.478 4.167 20 30 DIEDRP C[NH+](C)C1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001168322722 1047444550 /nfs/dbraw/zinc/44/45/50/1047444550.db2.gz FXWITILOCDAYRC-UHFFFAOYSA-N 2 0 305.510 4.188 20 30 DIEDRP C=CCCC[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538121645 1047658173 /nfs/dbraw/zinc/65/81/73/1047658173.db2.gz AMMVLUWZYZHFOV-GOSISDBHSA-N 2 0 315.505 4.365 20 30 DIEDRP CCCCCCCCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201846818 1048390636 /nfs/dbraw/zinc/39/06/36/1048390636.db2.gz MHKOHXJKMNPLQP-UHFFFAOYSA-N 2 0 324.553 4.312 20 30 DIEDRP [NH2+]=C(Nc1cc[nH+]c(C2CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001163685986 1048502772 /nfs/dbraw/zinc/50/27/72/1048502772.db2.gz ZALXFOKSBSJGPX-UHFFFAOYSA-N 2 0 305.303 4.015 20 30 DIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000192941513 1049047514 /nfs/dbraw/zinc/04/75/14/1049047514.db2.gz HISMHXCILCBEJB-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP CC#CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194940851 1049452496 /nfs/dbraw/zinc/45/24/96/1049452496.db2.gz BPIVVZCXJMIXGB-QFIPXVFZSA-N 2 0 324.512 4.167 20 30 DIEDRP C=C(C)CN(C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638912 /nfs/dbraw/zinc/63/89/12/1049638912.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 2 0 322.496 4.410 20 30 DIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC(C)(C)C[NH+](C)C)cc1 ZINC001168768675 1050195931 /nfs/dbraw/zinc/19/59/31/1050195931.db2.gz FVPSZWNTHDSLAP-LJQANCHMSA-N 2 0 315.505 4.009 20 30 DIEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555756 1050542959 /nfs/dbraw/zinc/54/29/59/1050542959.db2.gz HQSLYGHKYOTHQT-HZPDHXFCSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172346751 1051366515 /nfs/dbraw/zinc/36/65/15/1051366515.db2.gz LXNSYTGTWUXOSK-GOSISDBHSA-N 2 0 312.542 4.216 20 30 DIEDRP CC(C)(C)C[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173591519 1051756248 /nfs/dbraw/zinc/75/62/48/1051756248.db2.gz SWFJPSLIYYEOLF-CSGOCMEYSA-N 2 0 305.510 4.077 20 30 DIEDRP C=CCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595821 1052515737 /nfs/dbraw/zinc/51/57/37/1052515737.db2.gz JVFDNXLBMRRSFD-FQEVSTJZSA-N 2 0 312.501 4.202 20 30 DIEDRP CCCCCCCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000100019203 1053299460 /nfs/dbraw/zinc/29/94/60/1053299460.db2.gz AKOYUEZHYHWLEH-UHFFFAOYSA-N 2 0 318.505 4.207 20 30 DIEDRP CCCCCCCCCC[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235289321 1054697422 /nfs/dbraw/zinc/69/74/22/1054697422.db2.gz BDONLTRMNUPJMP-UHFFFAOYSA-N 2 0 324.553 4.360 20 30 DIEDRP C=CCCCCCCCCC[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397067 1054713854 /nfs/dbraw/zinc/71/38/54/1054713854.db2.gz OFZBHHHTPXLAKX-ZWKOTPCHSA-N 2 0 310.501 4.302 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429459 1054717092 /nfs/dbraw/zinc/71/70/92/1054717092.db2.gz YAGMCJOROIBSMN-VAMGGRTRSA-N 2 0 302.506 4.001 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452314 1055122802 /nfs/dbraw/zinc/12/28/02/1055122802.db2.gz CRJXSYVVIINXPK-UHFFFAOYSA-N 2 0 306.881 4.250 20 30 DIEDRP C=CCCCC[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533859 1055165505 /nfs/dbraw/zinc/16/55/05/1055165505.db2.gz JDTXMHRJRRLMKQ-IYARVYRRSA-N 2 0 304.453 4.254 20 30 DIEDRP CCCCCCCCCCC[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236623405 1055205412 /nfs/dbraw/zinc/20/54/12/1055205412.db2.gz UDOBUSHKZCYIQG-HXUWFJFHSA-N 2 0 323.569 4.015 20 30 DIEDRP CCCCCCC[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236665352 1055222668 /nfs/dbraw/zinc/22/26/68/1055222668.db2.gz UPUSOAYJWANFQP-UAPYVXQJSA-N 2 0 303.494 4.124 20 30 DIEDRP C=CCCCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001616996692 1056758086 /nfs/dbraw/zinc/75/80/86/1056758086.db2.gz ALIFXQYKNPQLFE-OALUTQOASA-N 2 0 314.517 4.479 20 30 DIEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399802 1057017771 /nfs/dbraw/zinc/01/77/71/1057017771.db2.gz FGBBAMVNAJGSME-KRWDZBQOSA-N 2 0 313.489 4.063 20 30 DIEDRP CC(C)[NH+](CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000611393264 1057595518 /nfs/dbraw/zinc/59/55/18/1057595518.db2.gz AILSRVKEGKKZLR-FQEVSTJZSA-N 2 0 313.489 4.034 20 30 DIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244326292 1057934163 /nfs/dbraw/zinc/93/41/63/1057934163.db2.gz HCRSQWMBQOTCKA-OAQYLSRUSA-N 2 0 322.452 4.014 20 30 DIEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC001245999892 1058656544 /nfs/dbraw/zinc/65/65/44/1058656544.db2.gz GJHUHMAXTLFKBS-OTWHNJEPSA-N 2 0 312.542 4.128 20 30 DIEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC001245991661 1058657176 /nfs/dbraw/zinc/65/71/76/1058657176.db2.gz GJHUHMAXTLFKBS-GBESFXJTSA-N 2 0 312.542 4.128 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245999500 1058657280 /nfs/dbraw/zinc/65/72/80/1058657280.db2.gz NWTZAZWNLVDIIV-AQNXPRMDSA-N 2 0 324.553 4.272 20 30 DIEDRP CCCCCCCCCCCC[C@@H](O)C[NH+]1CC2(CC([NH3+])C2)C1 ZINC001246045609 1058659724 /nfs/dbraw/zinc/65/97/24/1058659724.db2.gz NKDUOFUYYOIRSI-LJQANCHMSA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001246060652 1058660130 /nfs/dbraw/zinc/66/01/30/1058660130.db2.gz QQPQRDNDFYUTCI-MOPGFXCFSA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCCC[C@@H](O)C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067629 1058663683 /nfs/dbraw/zinc/66/36/83/1058663683.db2.gz GBEJMDJUQDLSKZ-VAMGGRTRSA-N 2 0 324.553 4.080 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246090009 1058670514 /nfs/dbraw/zinc/67/05/14/1058670514.db2.gz UZHRFTVSJXKJDV-CVEARBPZSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246086605 1058671151 /nfs/dbraw/zinc/67/11/51/1058671151.db2.gz DSZXKYOODSDDLC-HOTGVXAUSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246090013 1058673651 /nfs/dbraw/zinc/67/36/51/1058673651.db2.gz UZHRFTVSJXKJDV-JKSUJKDBSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246123731 1058687667 /nfs/dbraw/zinc/68/76/67/1058687667.db2.gz AZDSFYBKGNTBAD-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246131110 1058689299 /nfs/dbraw/zinc/68/92/99/1058689299.db2.gz JDQWNZZGOTVYPY-UAFMIMERSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137772 1058691942 /nfs/dbraw/zinc/69/19/42/1058691942.db2.gz XDCCIYWNXPZCNB-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246134055 1058692573 /nfs/dbraw/zinc/69/25/73/1058692573.db2.gz LDBNEXWUIKDILB-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246134969 1058693026 /nfs/dbraw/zinc/69/30/26/1058693026.db2.gz WMSSPOJFJSXZSH-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246137054 1058693159 /nfs/dbraw/zinc/69/31/59/1058693159.db2.gz HQLBBJNQOABXNL-RBUKOAKNSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137774 1058693687 /nfs/dbraw/zinc/69/36/87/1058693687.db2.gz XDCCIYWNXPZCNB-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001246138491 1058696436 /nfs/dbraw/zinc/69/64/36/1058696436.db2.gz NIGCNXPTKZZLCP-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246149860 1058699413 /nfs/dbraw/zinc/69/94/13/1058699413.db2.gz VFTOUAZSUVMBMK-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+][C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001246151682 1058700228 /nfs/dbraw/zinc/70/02/28/1058700228.db2.gz JPSSARADLUTCIA-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246159109 1058703686 /nfs/dbraw/zinc/70/36/86/1058703686.db2.gz XPBNOYQKJDEOFD-HSALFYBXSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180228 1058726779 /nfs/dbraw/zinc/72/67/79/1058726779.db2.gz QQOJMSLUXIJEEH-MSOLQXFVSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246254283 1058772813 /nfs/dbraw/zinc/77/28/13/1058772813.db2.gz GMYDVLIRTQIRJJ-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256854 1058776737 /nfs/dbraw/zinc/77/67/37/1058776737.db2.gz QRHPPGFTHNOBRJ-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256365 1058777191 /nfs/dbraw/zinc/77/71/91/1058777191.db2.gz OWCRBABBRSZISL-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256857 1058778042 /nfs/dbraw/zinc/77/80/42/1058778042.db2.gz QRHPPGFTHNOBRJ-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302242 1058809759 /nfs/dbraw/zinc/80/97/59/1058809759.db2.gz XGUMRXVUFVODIJ-HSALFYBXSA-N 2 0 313.489 4.156 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH2+]CC1(CCOC)CC[NH2+]CC1 ZINC001246373292 1058877299 /nfs/dbraw/zinc/87/72/99/1058877299.db2.gz XIIUQXPMINAWHN-GOSISDBHSA-N 2 0 312.542 4.121 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246385886 1058893043 /nfs/dbraw/zinc/89/30/43/1058893043.db2.gz FYKLKBJVQIBDAX-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]CC1(c2ccccn2)CC[NH2+]CC1 ZINC001246425369 1058923989 /nfs/dbraw/zinc/92/39/89/1058923989.db2.gz ARJNKJFZZCIPRH-SFHVURJKSA-N 2 0 317.521 4.041 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246443926 1058933605 /nfs/dbraw/zinc/93/36/05/1058933605.db2.gz PKYKQGWVSZEAME-BEFAXECRSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542853 1058993318 /nfs/dbraw/zinc/99/33/18/1058993318.db2.gz LSYJESMSZPNIGY-MOPGFXCFSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561297 1059002244 /nfs/dbraw/zinc/00/22/44/1059002244.db2.gz WCXBUPIAVLFFPU-JKSUJKDBSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635567 1059044306 /nfs/dbraw/zinc/04/43/06/1059044306.db2.gz CQBDZAKPUGAXJT-HOTGVXAUSA-N 2 0 302.453 4.056 20 30 DIEDRP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246638291 1059044414 /nfs/dbraw/zinc/04/44/14/1059044414.db2.gz LKBALMSYAVDMBX-IAGOWNOFSA-N 2 0 316.480 4.446 20 30 DIEDRP C[NH2+]CC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890689 1059154454 /nfs/dbraw/zinc/15/44/54/1059154454.db2.gz KCRUZRICXCIMGM-ZWKOTPCHSA-N 2 0 321.468 4.119 20 30 DIEDRP CC[C@@H]1CC([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246924948 1059180190 /nfs/dbraw/zinc/18/01/90/1059180190.db2.gz UWQJRYJDLVMONH-NHCUHLMSSA-N 2 0 324.512 4.059 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246962910 1059206101 /nfs/dbraw/zinc/20/61/01/1059206101.db2.gz WIJICXZZVAHOER-INIZCTEOSA-N 2 0 304.453 4.043 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246966206 1059210233 /nfs/dbraw/zinc/21/02/33/1059210233.db2.gz IMLRQUUXVUNRCJ-RTBURBONSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246969167 1059212983 /nfs/dbraw/zinc/21/29/83/1059212983.db2.gz USDAIMZJWQKSFE-RBUKOAKNSA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246979705 1059224502 /nfs/dbraw/zinc/22/45/02/1059224502.db2.gz ZTVCRYPWTYCTBS-UYAOXDASSA-N 2 0 323.569 4.013 20 30 DIEDRP C=C1C[C@@H]2CC([N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)C[C@H](C1)C2 ZINC001247006844 1059232750 /nfs/dbraw/zinc/23/27/50/1059232750.db2.gz FIDZMRMRTAEDJE-UFRUDQCGSA-N 2 0 322.496 4.216 20 30 DIEDRP CCCCCCCCCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC001473690057 1061348629 /nfs/dbraw/zinc/34/86/29/1061348629.db2.gz XBLVOIZKLFPIBQ-UHFFFAOYSA-N 2 0 324.553 4.314 20 30 DIEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001253255310 1061856624 /nfs/dbraw/zinc/85/66/24/1061856624.db2.gz IJJPRMHRUSQCNF-MHJFOBGBSA-N 2 0 324.553 4.117 20 30 DIEDRP C#Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001474373506 1062012294 /nfs/dbraw/zinc/01/22/94/1062012294.db2.gz MGYINNABURUBPE-IBGZPJMESA-N 2 0 324.512 4.144 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857378 1063018959 /nfs/dbraw/zinc/01/89/59/1063018959.db2.gz YPLMPECXFKHECK-QGZVFWFLSA-N 2 0 303.494 4.389 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH3+])(CC4CCC4)CC3)C[C@H](C1)C2 ZINC001257890703 1063429163 /nfs/dbraw/zinc/42/91/63/1063429163.db2.gz WPJMRXMKDJIVNC-DFNIBXOVSA-N 2 0 302.506 4.105 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH+]4CCC(F)CC4)CC3)C[C@H](C1)C2 ZINC001257895177 1063432016 /nfs/dbraw/zinc/43/20/16/1063432016.db2.gz KIPGSJBXQAODFE-XEWABKELSA-N 2 0 320.496 4.020 20 30 DIEDRP C=CCC[C@H](C)[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001258721955 1063776502 /nfs/dbraw/zinc/77/65/02/1063776502.db2.gz JNPHZRNYVISWRQ-YFWVXDPYSA-N 2 0 312.501 4.469 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724448 1063779127 /nfs/dbraw/zinc/77/91/27/1063779127.db2.gz WRBZUODBSLUGGA-IHPCNDPISA-N 2 0 300.490 4.422 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001258725336 1063779384 /nfs/dbraw/zinc/77/93/84/1063779384.db2.gz JBTUOBTUWDVMBY-GGPKGHCWSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724224 1063779727 /nfs/dbraw/zinc/77/97/27/1063779727.db2.gz QNCAPXBPBMFGIX-IHPCNDPISA-N 2 0 300.490 4.422 20 30 DIEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734023 1063784770 /nfs/dbraw/zinc/78/47/70/1063784770.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 2 0 312.501 4.329 20 30 DIEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001258901596 1063876503 /nfs/dbraw/zinc/87/65/03/1063876503.db2.gz JUFWKPZUYAMTOC-YLJYHZDGSA-N 2 0 315.505 4.355 20 30 DIEDRP CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1cccc(C#N)c1 ZINC001258902153 1063877055 /nfs/dbraw/zinc/87/70/55/1063877055.db2.gz ATDGKJUDKKLKIC-VQIMIIECSA-N 2 0 301.478 4.109 20 30 DIEDRP C#CCCC[NH+]1CCC2(C[NH+](C[C@@H](CC)CCCC)C2)CC1 ZINC001279239059 1064337654 /nfs/dbraw/zinc/33/76/54/1064337654.db2.gz OACLTYXKYYCCJI-IBGZPJMESA-N 2 0 304.522 4.014 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976564 1066429046 /nfs/dbraw/zinc/42/90/46/1066429046.db2.gz XLUOFVCQORYYRP-NRDMVMEKSA-N 2 0 312.501 4.231 20 30 DIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000074335597 331671116 /nfs/dbraw/zinc/67/11/16/331671116.db2.gz JQMBLZNGBOLNPA-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP CCCN(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000560575926 332363768 /nfs/dbraw/zinc/36/37/68/332363768.db2.gz XPBCEIOZQQJSSV-ZTFGCOKTSA-N 2 0 319.880 4.005 20 30 DIEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357985 333298347 /nfs/dbraw/zinc/29/83/47/333298347.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 2 0 319.537 4.293 20 30 DIEDRP C[C@H](c1ccccc1)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174402591 337141691 /nfs/dbraw/zinc/14/16/91/337141691.db2.gz OIQNHTUEBFAPBH-QGZVFWFLSA-N 2 0 313.489 4.132 20 30 DIEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423122001 337700473 /nfs/dbraw/zinc/70/04/73/337700473.db2.gz BSJHBDSVFAEHLB-MISYRCLQSA-N 2 0 313.489 4.322 20 30 DIEDRP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379624763 1037040827 /nfs/dbraw/zinc/04/08/27/1037040827.db2.gz JUIGJVKVJKFPKH-MSOLQXFVSA-N 2 0 321.468 4.119 20 30 DIEDRP CCC1([NH+]2CCCC2)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000602948871 1038114376 /nfs/dbraw/zinc/11/43/76/1038114376.db2.gz FNOMDIHXIRQXQI-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000442905191 1039249421 /nfs/dbraw/zinc/24/94/21/1039249421.db2.gz VKHPLLKYTVXPDN-KRWDZBQOSA-N 2 0 322.456 4.008 20 30 DIEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000442905192 1039249630 /nfs/dbraw/zinc/24/96/30/1039249630.db2.gz VKHPLLKYTVXPDN-QGZVFWFLSA-N 2 0 322.456 4.008 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540594701 1039524114 /nfs/dbraw/zinc/52/41/14/1039524114.db2.gz XSQNBQUZCBNAAW-VDGAXYAQSA-N 2 0 313.489 4.109 20 30 DIEDRP C=CCCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743314 1041590982 /nfs/dbraw/zinc/59/09/82/1041590982.db2.gz WSPRGEJHNJEUQQ-QUCCMNQESA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001170668146 1041603383 /nfs/dbraw/zinc/60/33/83/1041603383.db2.gz ATWFDURUCLDJGE-UHFFFAOYSA-N 2 0 312.501 4.331 20 30 DIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173954639 1043058017 /nfs/dbraw/zinc/05/80/17/1043058017.db2.gz JUKSGKURGNLQNF-KRWDZBQOSA-N 2 0 321.468 4.251 20 30 DIEDRP C#CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635283 1043440482 /nfs/dbraw/zinc/44/04/82/1043440482.db2.gz PQUBMOUTRAOHTJ-UWJYYQICSA-N 2 0 306.453 4.163 20 30 DIEDRP C#CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635282 1043441190 /nfs/dbraw/zinc/44/11/90/1043441190.db2.gz PQUBMOUTRAOHTJ-UTKZUKDTSA-N 2 0 306.453 4.163 20 30 DIEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361058745 1044353112 /nfs/dbraw/zinc/35/31/12/1044353112.db2.gz QLCCFHDEDQNPNW-QGZVFWFLSA-N 2 0 322.456 4.008 20 30 DIEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000886512678 1044653225 /nfs/dbraw/zinc/65/32/25/1044653225.db2.gz KXBJGUDVEBGEPS-PBPGXSGUSA-N 2 0 311.473 4.006 20 30 DIEDRP C=CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886528445 1044655107 /nfs/dbraw/zinc/65/51/07/1044655107.db2.gz MJHRZERVHFRQJV-GPJFCIFZSA-N 2 0 313.489 4.086 20 30 DIEDRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792532 1046072870 /nfs/dbraw/zinc/07/28/70/1046072870.db2.gz BLYAOILSVMZDIN-OAQYLSRUSA-N 2 0 321.468 4.251 20 30 DIEDRP N#CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903176202 1046182872 /nfs/dbraw/zinc/18/28/72/1046182872.db2.gz ZKIJWELIZYFWHI-VCYXJBJXSA-N 2 0 323.484 4.169 20 30 DIEDRP C=C(C)CN1CCC([NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538099993 1047657073 /nfs/dbraw/zinc/65/70/73/1047657073.db2.gz ABQVAYKGYHXURF-HXUWFJFHSA-N 2 0 316.464 4.215 20 30 DIEDRP C=CCC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CC1 ZINC000539044968 1047730160 /nfs/dbraw/zinc/73/01/60/1047730160.db2.gz WTSRTWPIMXOXCR-MHJFOBGBSA-N 2 0 304.522 4.364 20 30 DIEDRP C=C(C)CN1CCC([NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000482620093 1048646870 /nfs/dbraw/zinc/64/68/70/1048646870.db2.gz OCUHUSSTRKGAHK-OAQYLSRUSA-N 2 0 314.517 4.274 20 30 DIEDRP C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775409543 1048782889 /nfs/dbraw/zinc/78/28/89/1048782889.db2.gz NVBHHEHCMAQONJ-HZPDHXFCSA-N 2 0 304.478 4.152 20 30 DIEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001177132248 1048835079 /nfs/dbraw/zinc/83/50/79/1048835079.db2.gz DGTCQWAPROIURC-FXAWDEMLSA-N 2 0 300.490 4.363 20 30 DIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000192941530 1049046785 /nfs/dbraw/zinc/04/67/85/1049046785.db2.gz HISMHXCILCBEJB-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP CCCCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734299 1049546650 /nfs/dbraw/zinc/54/66/50/1049546650.db2.gz DBEVVMRSLSOJMW-MRXNPFEDSA-N 2 0 304.469 4.433 20 30 DIEDRP CC[NH+]1CCC(C[N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001208598959 1049997737 /nfs/dbraw/zinc/99/77/37/1049997737.db2.gz BNVPMRSKJZWZST-UHFFFAOYSA-N 2 0 305.510 4.047 20 30 DIEDRP C=CCCCC[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946726 1050026416 /nfs/dbraw/zinc/02/64/16/1050026416.db2.gz WIOKRNFLZHHAGT-HXUWFJFHSA-N 2 0 300.490 4.187 20 30 DIEDRP C=CCCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209428895 1050057451 /nfs/dbraw/zinc/05/74/51/1050057451.db2.gz ORRYCLRKJJGKBM-HXUWFJFHSA-N 2 0 300.490 4.187 20 30 DIEDRP CC(C)[PH+](CC[NH2+][C@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171201140 1050627607 /nfs/dbraw/zinc/62/76/07/1050627607.db2.gz IGUZUSQVSOHENH-MRXNPFEDSA-N 2 0 304.418 4.378 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172509092 1051426505 /nfs/dbraw/zinc/42/65/05/1051426505.db2.gz SGTSLZQSYIASHB-SFHVURJKSA-N 2 0 312.542 4.345 20 30 DIEDRP C=CCCCCCCC[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595822 1052515915 /nfs/dbraw/zinc/51/59/15/1052515915.db2.gz JVFDNXLBMRRSFD-HXUWFJFHSA-N 2 0 312.501 4.202 20 30 DIEDRP CCCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090654 1054652864 /nfs/dbraw/zinc/65/28/64/1054652864.db2.gz RXAJCODBQHUZNO-QGZVFWFLSA-N 2 0 316.480 4.448 20 30 DIEDRP CCCCCCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094273 1054657149 /nfs/dbraw/zinc/65/71/49/1054657149.db2.gz PXTCRSAIOSLWHS-UHFFFAOYSA-N 2 0 300.490 4.094 20 30 DIEDRP C=CCCCCCCCCC[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397065 1054713730 /nfs/dbraw/zinc/71/37/30/1054713730.db2.gz OFZBHHHTPXLAKX-QZTJIDSGSA-N 2 0 310.501 4.302 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429453 1054717983 /nfs/dbraw/zinc/71/79/83/1054717983.db2.gz YAGMCJOROIBSMN-AQNXPRMDSA-N 2 0 302.506 4.001 20 30 DIEDRP CCCCCCC[N@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236439004 1055113311 /nfs/dbraw/zinc/11/33/11/1055113311.db2.gz DBYRZZIOPLHKEU-UHFFFAOYSA-N 2 0 318.505 4.220 20 30 DIEDRP C=CCCCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481364 1055138344 /nfs/dbraw/zinc/13/83/44/1055138344.db2.gz TVBKCOCTUVAUBD-UHFFFAOYSA-N 2 0 318.480 4.435 20 30 DIEDRP C=CCCCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509420 1055152465 /nfs/dbraw/zinc/15/24/65/1055152465.db2.gz LOGPFZHESCYSSM-UHFFFAOYSA-N 2 0 318.480 4.435 20 30 DIEDRP CCCCCCCC[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553756 1055181671 /nfs/dbraw/zinc/18/16/71/1055181671.db2.gz SBLKRMNVMBWRNH-IYARVYRRSA-N 2 0 310.526 4.098 20 30 DIEDRP CCCCCCCCCCC[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236616504 1055206447 /nfs/dbraw/zinc/20/64/47/1055206447.db2.gz OJHJURGGEZRSGC-LJQANCHMSA-N 2 0 323.569 4.015 20 30 DIEDRP C=CCCCC[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702068 1055233897 /nfs/dbraw/zinc/23/38/97/1055233897.db2.gz YJFJKUYCTQMNIK-WGSAOQKQSA-N 2 0 316.489 4.123 20 30 DIEDRP C=CCCCC[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001278269373 1055728665 /nfs/dbraw/zinc/72/86/65/1055728665.db2.gz DRHXUXIIQUEEJQ-UHFFFAOYSA-N 2 0 318.427 4.083 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000675783471 1057414289 /nfs/dbraw/zinc/41/42/89/1057414289.db2.gz ICMCFJCYZPZECR-DYESRHJHSA-N 2 0 312.501 4.333 20 30 DIEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639096 1057490635 /nfs/dbraw/zinc/49/06/35/1057490635.db2.gz FWZVTPVWCFIYFZ-PZJWPPBQSA-N 2 0 312.501 4.233 20 30 DIEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390012 1057597412 /nfs/dbraw/zinc/59/74/12/1057597412.db2.gz HCYSRIXESPXZSS-UZLBHIALSA-N 2 0 313.489 4.036 20 30 DIEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245899279 1058605990 /nfs/dbraw/zinc/60/59/90/1058605990.db2.gz DBXZILVFPZXPFX-HXUWFJFHSA-N 2 0 303.409 4.324 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025709 1058656846 /nfs/dbraw/zinc/65/68/46/1058656846.db2.gz ZIJZINYKOSDVPD-RBUKOAKNSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC001245991655 1058656872 /nfs/dbraw/zinc/65/68/72/1058656872.db2.gz GJHUHMAXTLFKBS-FHWLQOOXSA-N 2 0 312.542 4.128 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246115398 1058684224 /nfs/dbraw/zinc/68/42/24/1058684224.db2.gz SIECMUBVEJHZCM-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133265 1058689211 /nfs/dbraw/zinc/68/92/11/1058689211.db2.gz PKVKOCBNXTZSHL-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133270 1058689655 /nfs/dbraw/zinc/68/96/55/1058689655.db2.gz PKVKOCBNXTZSHL-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246128931 1058689944 /nfs/dbraw/zinc/68/99/44/1058689944.db2.gz CGCFXFKZRRIDBT-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129469 1058690551 /nfs/dbraw/zinc/69/05/51/1058690551.db2.gz DVUMGUZFVQWQJC-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001246133852 1058692773 /nfs/dbraw/zinc/69/27/73/1058692773.db2.gz KGDZZQDCYHLJAA-MRXNPFEDSA-N 2 0 321.509 4.185 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001246138489 1058695717 /nfs/dbraw/zinc/69/57/17/1058695717.db2.gz NIGCNXPTKZZLCP-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001246146277 1058697094 /nfs/dbraw/zinc/69/70/94/1058697094.db2.gz GQAKFEVCNIAYEQ-FHWLQOOXSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149743 1058698491 /nfs/dbraw/zinc/69/84/91/1058698491.db2.gz LTXBGGUIYPRSAY-MTQWCTHYSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@@H](C)[NH2+]Cc1cccnc1C1CC[NH2+]CC1 ZINC001246168674 1058713326 /nfs/dbraw/zinc/71/33/26/1058713326.db2.gz ZXEYHOJFIHYUHC-QGZVFWFLSA-N 2 0 317.521 4.387 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180234 1058726209 /nfs/dbraw/zinc/72/62/09/1058726209.db2.gz QQOJMSLUXIJEEH-ROUUACIJSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180238 1058726320 /nfs/dbraw/zinc/72/63/20/1058726320.db2.gz QQOJMSLUXIJEEH-ZWKOTPCHSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246213374 1058745540 /nfs/dbraw/zinc/74/55/40/1058745540.db2.gz YCQUGEZDXSKRMX-GOSISDBHSA-N 2 0 310.526 4.018 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246250983 1058768825 /nfs/dbraw/zinc/76/88/25/1058768825.db2.gz VSUPFFILYZAOLA-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246251621 1058771427 /nfs/dbraw/zinc/77/14/27/1058771427.db2.gz XNFWVNAFKALOPA-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@H](c3ccccc3)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246254686 1058774646 /nfs/dbraw/zinc/77/46/46/1058774646.db2.gz ZYCYCXXJRBZXHP-DPZKRJQXSA-N 2 0 324.512 4.452 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246258820 1058776682 /nfs/dbraw/zinc/77/66/82/1058776682.db2.gz YMVVBYLKTCLXMO-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001246340623 1058849514 /nfs/dbraw/zinc/84/95/14/1058849514.db2.gz LIZKJKOMRPDQLA-WDSOQIARSA-N 2 0 303.494 4.071 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@@H](CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC001246453622 1058942449 /nfs/dbraw/zinc/94/24/49/1058942449.db2.gz UWKXIYXNPCIBPN-BEFAXECRSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553691 1059000370 /nfs/dbraw/zinc/00/03/70/1059000370.db2.gz BVCSBEBJBDGPKQ-HOTGVXAUSA-N 2 0 304.469 4.432 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796290 1059102702 /nfs/dbraw/zinc/10/27/02/1059102702.db2.gz PSIJNSFYAXRXAR-PMACEKPBSA-N 2 0 300.490 4.376 20 30 DIEDRP CCCC[C@H]1C[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922871 1059181440 /nfs/dbraw/zinc/18/14/40/1059181440.db2.gz MMVAAWUXTYAXJH-VXKWHMMOSA-N 2 0 324.512 4.061 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246945312 1059191532 /nfs/dbraw/zinc/19/15/32/1059191532.db2.gz GNCPYVLGAAHNAE-OAHLLOKOSA-N 2 0 306.881 4.249 20 30 DIEDRP CCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246979702 1059224200 /nfs/dbraw/zinc/22/42/00/1059224200.db2.gz ZTVCRYPWTYCTBS-AZUAARDMSA-N 2 0 323.569 4.013 20 30 DIEDRP C#CCCCCCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069679 1059882111 /nfs/dbraw/zinc/88/21/11/1059882111.db2.gz YICPEEWNFKQAIE-HXUWFJFHSA-N 2 0 304.522 4.157 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560798070 1060658346 /nfs/dbraw/zinc/65/83/46/1060658346.db2.gz WTOQVQZNABFCRU-AZUAARDMSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560963652 1060830422 /nfs/dbraw/zinc/83/04/22/1060830422.db2.gz UEDGTEUWGQZRJS-ICSRJNTNSA-N 2 0 314.517 4.479 20 30 DIEDRP CCCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001252138936 1061598602 /nfs/dbraw/zinc/59/86/02/1061598602.db2.gz GFGSFPLBAXRJTF-HXUWFJFHSA-N 2 0 324.553 4.095 20 30 DIEDRP C=CC(C)(C)CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001474218673 1061777080 /nfs/dbraw/zinc/77/70/80/1061777080.db2.gz DKNMCSZTWBBTOQ-UHFFFAOYSA-N 2 0 302.506 4.337 20 30 DIEDRP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H]1C ZINC001255157840 1062344526 /nfs/dbraw/zinc/34/45/26/1062344526.db2.gz XCLWBMIZQJUSGA-ABHMGBDOSA-N 2 0 319.537 4.227 20 30 DIEDRP C=CCCCC[N@@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409200 1062440233 /nfs/dbraw/zinc/44/02/33/1062440233.db2.gz SYVKLGMHAMLZNT-FQEVSTJZSA-N 2 0 300.490 4.329 20 30 DIEDRP C=C(C)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460542697 1062902842 /nfs/dbraw/zinc/90/28/42/1062902842.db2.gz KZKXFXWDLRFRID-HXUWFJFHSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860503 1063019826 /nfs/dbraw/zinc/01/98/26/1063019826.db2.gz CVBLIVUFSVCFNQ-UHFFFAOYSA-N 2 0 321.468 4.129 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001461120733 1063272066 /nfs/dbraw/zinc/27/20/66/1063272066.db2.gz LZMVJWYKRLTWPI-HMXCVIKNSA-N 2 0 312.501 4.233 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]CC3CC[NH+](CC4CCC4)CC3)C[C@H](C1)C2 ZINC001257890638 1063429031 /nfs/dbraw/zinc/42/90/31/1063429031.db2.gz RZSHZLPEKFPWPM-WCRBZPEASA-N 2 0 316.533 4.223 20 30 DIEDRP CCCCCCC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258043131 1063474713 /nfs/dbraw/zinc/47/47/13/1063474713.db2.gz JSPFTSPZMPZNPT-FHWLQOOXSA-N 2 0 324.553 4.486 20 30 DIEDRP CCCCCCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258042934 1063475815 /nfs/dbraw/zinc/47/58/15/1063475815.db2.gz DRDKTSPCJOTPSO-GOSISDBHSA-N 2 0 317.521 4.166 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258049334 1063482382 /nfs/dbraw/zinc/48/23/82/1063482382.db2.gz FEDFWVYXRQGZNO-SFHVURJKSA-N 2 0 324.553 4.311 20 30 DIEDRP C=CCC[C@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001258714940 1063773545 /nfs/dbraw/zinc/77/35/45/1063773545.db2.gz YEAPLEQJIKIUSL-SFHVURJKSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724034 1063779504 /nfs/dbraw/zinc/77/95/04/1063779504.db2.gz LOKSKFDCZDNCGE-SNRMKQJTSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902955 1063876475 /nfs/dbraw/zinc/87/64/75/1063876475.db2.gz IOVOCKYNMVLUDI-QZTJIDSGSA-N 2 0 318.505 4.413 20 30 DIEDRP C=CCCCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001307761347 1065609414 /nfs/dbraw/zinc/60/94/14/1065609414.db2.gz FFMZSWRFZVBLDJ-OAQYLSRUSA-N 2 0 312.501 4.331 20 30 DIEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513997 332348556 /nfs/dbraw/zinc/34/85/56/332348556.db2.gz ATLVUIXRODPQGU-MSOLQXFVSA-N 2 0 304.478 4.389 20 30 DIEDRP CCCN(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000560575924 332363512 /nfs/dbraw/zinc/36/35/12/332363512.db2.gz XPBCEIOZQQJSSV-FHLIZLRMSA-N 2 0 319.880 4.005 20 30 DIEDRP CCCN(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000560575923 332363775 /nfs/dbraw/zinc/36/37/75/332363775.db2.gz XPBCEIOZQQJSSV-BMGDILEWSA-N 2 0 319.880 4.005 20 30 DIEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357989 333298271 /nfs/dbraw/zinc/29/82/71/333298271.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 2 0 319.537 4.293 20 30 DIEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000423294996 337710756 /nfs/dbraw/zinc/71/07/56/337710756.db2.gz WANSZHXYLONPDN-VFNWGFHPSA-N 2 0 319.452 4.135 20 30 DIEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000439071960 338360205 /nfs/dbraw/zinc/36/02/05/338360205.db2.gz QZPOITQOLPOHET-NRFANRHFSA-N 2 0 312.501 4.233 20 30 DIEDRP CC1CC[NH+](C2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)CC1 ZINC000449200166 338601892 /nfs/dbraw/zinc/60/18/92/338601892.db2.gz GYZDBBMRFMTTCZ-UHFFFAOYSA-N 2 0 317.521 4.092 20 30 DIEDRP C=CCC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CC1 ZINC000539044969 340866912 /nfs/dbraw/zinc/86/69/12/340866912.db2.gz WTSRTWPIMXOXCR-SOAGJPPSSA-N 2 0 304.522 4.364 20 30 DIEDRP C=CC[C@H](CC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551305356 341337781 /nfs/dbraw/zinc/33/77/81/341337781.db2.gz WQIBOHOAUPZDCC-HDYDNRTBSA-N 2 0 300.490 4.374 20 30 DIEDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000181437149 525457051 /nfs/dbraw/zinc/45/70/51/525457051.db2.gz WHLRXGIKNTWAIJ-KRWDZBQOSA-N 2 0 319.452 4.005 20 30 DIEDRP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645507 1037045191 /nfs/dbraw/zinc/04/51/91/1037045191.db2.gz HVWKUCLUFCTNBC-ROUUACIJSA-N 2 0 321.468 4.119 20 30 DIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000602523400 1038029450 /nfs/dbraw/zinc/02/94/50/1038029450.db2.gz BYKGTJNASNHMNE-SFHVURJKSA-N 2 0 313.489 4.092 20 30 DIEDRP CC[N@H+](CCC1CC[NH+](CC(C)(C)CCC#N)CC1)CC1CC1 ZINC000539958285 1039395920 /nfs/dbraw/zinc/39/59/20/1039395920.db2.gz PMDXXMGXDBQNNK-UHFFFAOYSA-N 2 0 319.537 4.150 20 30 DIEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000747867119 1041726192 /nfs/dbraw/zinc/72/61/92/1041726192.db2.gz OPIXPZZFPPMVQU-FQEVSTJZSA-N 2 0 304.522 4.366 20 30 DIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000817979970 1042136412 /nfs/dbraw/zinc/13/64/12/1042136412.db2.gz GUBGXKQURMPEMY-RDJZCZTQSA-N 2 0 322.880 4.001 20 30 DIEDRP C#CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001167824737 1042212763 /nfs/dbraw/zinc/21/27/63/1042212763.db2.gz GBUARFOCPMAJRS-WIYYLYMNSA-N 2 0 312.501 4.120 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246086546 1042223230 /nfs/dbraw/zinc/22/32/30/1042223230.db2.gz DGIQLAMARPVYQV-HZPDHXFCSA-N 2 0 304.469 4.350 20 30 DIEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423122000 1042697778 /nfs/dbraw/zinc/69/77/78/1042697778.db2.gz BSJHBDSVFAEHLB-HOJAQTOUSA-N 2 0 313.489 4.322 20 30 DIEDRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1 ZINC000927037172 1043670325 /nfs/dbraw/zinc/67/03/25/1043670325.db2.gz LUVVCYZFWVBUPA-GPJFCIFZSA-N 2 0 311.473 4.006 20 30 DIEDRP CCC1([NH+]2CCCCC2)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000880255510 1044024692 /nfs/dbraw/zinc/02/46/92/1044024692.db2.gz NBYSTHUOPSFFLL-UHFFFAOYSA-N 2 0 319.537 4.437 20 30 DIEDRP C=CCCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000562509666 1044124554 /nfs/dbraw/zinc/12/45/54/1044124554.db2.gz FGBWBJLZZNOMRG-UHFFFAOYSA-N 2 0 300.490 4.376 20 30 DIEDRP CCCC[N@H+](C)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444600161 1044575196 /nfs/dbraw/zinc/57/51/96/1044575196.db2.gz SPPTYTITVNZPMY-UHFFFAOYSA-N 2 0 307.526 4.150 20 30 DIEDRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447538273 1045143190 /nfs/dbraw/zinc/14/31/90/1045143190.db2.gz AVCISYHUBFNYIE-HXUWFJFHSA-N 2 0 313.489 4.255 20 30 DIEDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447541652 1045143391 /nfs/dbraw/zinc/14/33/91/1045143391.db2.gz NCMAFRXHSXSAHM-YLJYHZDGSA-N 2 0 313.489 4.111 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924787431 1045198865 /nfs/dbraw/zinc/19/88/65/1045198865.db2.gz XEPXQVBVYYUFEC-JKSUJKDBSA-N 2 0 307.441 4.032 20 30 DIEDRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792531 1046072201 /nfs/dbraw/zinc/07/22/01/1046072201.db2.gz BLYAOILSVMZDIN-NRFANRHFSA-N 2 0 321.468 4.251 20 30 DIEDRP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833409 1046081647 /nfs/dbraw/zinc/08/16/47/1046081647.db2.gz ZCJNQOKLNFVVAY-FQEVSTJZSA-N 2 0 311.473 4.006 20 30 DIEDRP C=CCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984528 1048080497 /nfs/dbraw/zinc/08/04/97/1048080497.db2.gz RJFXGUQATZFYAM-HXUWFJFHSA-N 2 0 312.501 4.185 20 30 DIEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001200942361 1048166483 /nfs/dbraw/zinc/16/64/83/1048166483.db2.gz OULCICDDXKPJCX-GGPKGHCWSA-N 2 0 300.490 4.231 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC001201608805 1048330657 /nfs/dbraw/zinc/33/06/57/1048330657.db2.gz QEQPSMSYJXCTLW-ADEKHHIBSA-N 2 0 304.522 4.364 20 30 DIEDRP CCCCCCCCCN1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201847352 1048389931 /nfs/dbraw/zinc/38/99/31/1048389931.db2.gz VFZREFIDOIBYJI-HXUWFJFHSA-N 2 0 324.553 4.312 20 30 DIEDRP CCCC[N@H+](C)CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001190406289 1048728326 /nfs/dbraw/zinc/72/83/26/1048728326.db2.gz GCMGNOPBWMVCDG-UHFFFAOYSA-N 2 0 319.537 4.294 20 30 DIEDRP C=CC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001207294733 1049878102 /nfs/dbraw/zinc/87/81/02/1049878102.db2.gz RQHOPRVMHIJJAP-UHFFFAOYSA-N 2 0 300.490 4.185 20 30 DIEDRP C=CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960148 1050029976 /nfs/dbraw/zinc/02/99/76/1050029976.db2.gz UOYFRCJVENVKNY-FQEVSTJZSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CCCCC[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209199747 1050043643 /nfs/dbraw/zinc/04/36/43/1050043643.db2.gz AFMAUYVBNSYRSR-LJQANCHMSA-N 2 0 316.489 4.312 20 30 DIEDRP C#CCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001209264221 1050049257 /nfs/dbraw/zinc/04/92/57/1050049257.db2.gz XVAYJWVPLIHDDE-UHFFFAOYSA-N 2 0 324.512 4.086 20 30 DIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000591582462 1050179661 /nfs/dbraw/zinc/17/96/61/1050179661.db2.gz JKKQIEIWWZPZJA-NHCUHLMSSA-N 2 0 319.452 4.005 20 30 DIEDRP CC[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171624298 1051180050 /nfs/dbraw/zinc/18/00/50/1051180050.db2.gz OMRIKYNWUDXJKF-GOSISDBHSA-N 2 0 313.489 4.250 20 30 DIEDRP C=CCCCCC[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000793530751 1051321736 /nfs/dbraw/zinc/32/17/36/1051321736.db2.gz GBGWYQOBUDJZQK-SFHVURJKSA-N 2 0 315.505 4.413 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172501550 1051420474 /nfs/dbraw/zinc/42/04/74/1051420474.db2.gz DBHTWIGEXBGQME-LJQANCHMSA-N 2 0 324.553 4.216 20 30 DIEDRP C=CC[N@H+](Cc1ccccc1)C1CCC([NH+](CC)CC)CC1 ZINC001173113416 1051611796 /nfs/dbraw/zinc/61/17/96/1051611796.db2.gz PTEJXFYFGQWOAR-UHFFFAOYSA-N 2 0 300.490 4.328 20 30 DIEDRP CCCCCCC[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972954 1054877222 /nfs/dbraw/zinc/87/72/22/1054877222.db2.gz JFJLBUSLMMGBKR-UHFFFAOYSA-N 2 0 300.490 4.094 20 30 DIEDRP C=CCCCCCC[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562761 1055183415 /nfs/dbraw/zinc/18/34/15/1055183415.db2.gz WZZKKUNAWOLSHY-MXVIHJGJSA-N 2 0 315.505 4.290 20 30 DIEDRP C=CCCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742262 1055247109 /nfs/dbraw/zinc/24/71/09/1055247109.db2.gz MTXGYGYEPAMLAA-WGSAOQKQSA-N 2 0 304.453 4.254 20 30 DIEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240459457 1056521212 /nfs/dbraw/zinc/52/12/12/1056521212.db2.gz XQJNTQKFZNPCBA-JOCHJYFZSA-N 2 0 318.464 4.322 20 30 DIEDRP C=CCCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743315 1056620730 /nfs/dbraw/zinc/62/07/30/1056620730.db2.gz WSPRGEJHNJEUQQ-UYAOXDASSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCCCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001616996693 1056757777 /nfs/dbraw/zinc/75/77/77/1056757777.db2.gz ALIFXQYKNPQLFE-RTBURBONSA-N 2 0 314.517 4.479 20 30 DIEDRP C=C(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000675782636 1057412994 /nfs/dbraw/zinc/41/29/94/1057412994.db2.gz WHDNJTCTXWZBAP-LAUBAEHRSA-N 2 0 312.501 4.333 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001245972550 1058653050 /nfs/dbraw/zinc/65/30/50/1058653050.db2.gz FHFLADBMWWJTPC-FQEVSTJZSA-N 2 0 320.521 4.127 20 30 DIEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245999501 1058656681 /nfs/dbraw/zinc/65/66/81/1058656681.db2.gz NWTZAZWNLVDIIV-ZCNNSNEGSA-N 2 0 324.553 4.272 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246086604 1058670767 /nfs/dbraw/zinc/67/07/67/1058670767.db2.gz DSZXKYOODSDDLC-CVEARBPZSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246086607 1058670792 /nfs/dbraw/zinc/67/07/92/1058670792.db2.gz DSZXKYOODSDDLC-JKSUJKDBSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246114504 1058683296 /nfs/dbraw/zinc/68/32/96/1058683296.db2.gz MZMXBWOMLLPWIG-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246125152 1058686767 /nfs/dbraw/zinc/68/67/67/1058686767.db2.gz HIUVFQDGDVODKH-RTBURBONSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246123730 1058686818 /nfs/dbraw/zinc/68/68/18/1058686818.db2.gz AZDSFYBKGNTBAD-MOPGFXCFSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246125146 1058686848 /nfs/dbraw/zinc/68/68/48/1058686848.db2.gz HIUVFQDGDVODKH-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246128938 1058689147 /nfs/dbraw/zinc/68/91/47/1058689147.db2.gz CGCFXFKZRRIDBT-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246132500 1058689488 /nfs/dbraw/zinc/68/94/88/1058689488.db2.gz LTXBGGUIYPRSAY-UAFMIMERSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246130340 1058689599 /nfs/dbraw/zinc/68/95/99/1058689599.db2.gz GABDQVOPWPDDJP-RBUKOAKNSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001246137035 1058692590 /nfs/dbraw/zinc/69/25/90/1058692590.db2.gz UDLBKJLOSHNGQT-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246136112 1058693705 /nfs/dbraw/zinc/69/37/05/1058693705.db2.gz REMKKTLQUROXJY-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246134968 1058693767 /nfs/dbraw/zinc/69/37/67/1058693767.db2.gz WMSSPOJFJSXZSH-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001246148068 1058698759 /nfs/dbraw/zinc/69/87/59/1058698759.db2.gz DMAPUTLUBYTKRV-LWYYNNOASA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246150398 1058698796 /nfs/dbraw/zinc/69/87/96/1058698796.db2.gz VVQQTMAGYCLOMH-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246148708 1058698860 /nfs/dbraw/zinc/69/88/60/1058698860.db2.gz QDSXMKZYYGPXAC-SLFFLAALSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246149763 1058699466 /nfs/dbraw/zinc/69/94/66/1058699466.db2.gz UBRPMGHSNSBAIO-VAMGGRTRSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246148072 1058699760 /nfs/dbraw/zinc/69/97/60/1058699760.db2.gz DMAPUTLUBYTKRV-MUGJNUQGSA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001246149687 1058699801 /nfs/dbraw/zinc/69/98/01/1058699801.db2.gz LFRLEGGSESWHJL-ZGXWSNOMSA-N 2 0 324.553 4.118 20 30 DIEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001246149682 1058699819 /nfs/dbraw/zinc/69/98/19/1058699819.db2.gz LFRLEGGSESWHJL-NMLBUPMWSA-N 2 0 324.553 4.118 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001246150380 1058699901 /nfs/dbraw/zinc/69/99/01/1058699901.db2.gz GKCPZOUMSOQSNL-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155988 1058702049 /nfs/dbraw/zinc/70/20/49/1058702049.db2.gz HRPJFKWDHXGEID-SLFFLAALSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155903 1058702443 /nfs/dbraw/zinc/70/24/43/1058702443.db2.gz HFRUHBKNODVDHO-UFYCRDLUSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCC[C@H](C)[NH2+]Cc1cccnc1C1CC[NH2+]CC1 ZINC001246168673 1058714047 /nfs/dbraw/zinc/71/40/47/1058714047.db2.gz ZXEYHOJFIHYUHC-KRWDZBQOSA-N 2 0 317.521 4.387 20 30 DIEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246180219 1058726971 /nfs/dbraw/zinc/72/69/71/1058726971.db2.gz QPVUDQASSMNVQE-OALUTQOASA-N 2 0 324.553 4.262 20 30 DIEDRP CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246250681 1058768290 /nfs/dbraw/zinc/76/82/90/1058768290.db2.gz XOHNWLBBLHKGQG-WOJBJXKFSA-N 2 0 302.506 4.300 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246255833 1058776365 /nfs/dbraw/zinc/77/63/65/1058776365.db2.gz MBLZWRQBEQSAOC-GBESFXJTSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256364 1058776523 /nfs/dbraw/zinc/77/65/23/1058776523.db2.gz OWCRBABBRSZISL-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001246256363 1058777363 /nfs/dbraw/zinc/77/73/63/1058777363.db2.gz OWCRBABBRSZISL-OALUTQOASA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCN(CC[NH3+])[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246309606 1058816513 /nfs/dbraw/zinc/81/65/13/1058816513.db2.gz VOZJJZSLSYQRLC-LJQANCHMSA-N 2 0 323.569 4.063 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246334781 1058841044 /nfs/dbraw/zinc/84/10/44/1058841044.db2.gz RMSXQUWBFOMSEI-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246334782 1058842889 /nfs/dbraw/zinc/84/28/89/1058842889.db2.gz RMSXQUWBFOMSEI-QRVBRYPASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCC[C@H](CC)[NH2+]CC1(CCOC)CC[NH2+]CC1 ZINC001246373294 1058877563 /nfs/dbraw/zinc/87/75/63/1058877563.db2.gz XIIUQXPMINAWHN-SFHVURJKSA-N 2 0 312.542 4.121 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246385884 1058893902 /nfs/dbraw/zinc/89/39/02/1058893902.db2.gz FYKLKBJVQIBDAX-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP C=CCC[C@@H](C)[NH2+][C@H](CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246451529 1058936570 /nfs/dbraw/zinc/93/65/70/1058936570.db2.gz NQQFVSBLWUWOJT-DNVCBOLYSA-N 2 0 304.453 4.201 20 30 DIEDRP CCCCCCCCCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542855 1058991943 /nfs/dbraw/zinc/99/19/43/1058991943.db2.gz LSYJESMSZPNIGY-RBUKOAKNSA-N 2 0 312.542 4.081 20 30 DIEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553688 1059000426 /nfs/dbraw/zinc/00/04/26/1059000426.db2.gz BVCSBEBJBDGPKQ-CVEARBPZSA-N 2 0 304.469 4.432 20 30 DIEDRP CCCC[C@@H]1C[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922873 1059181004 /nfs/dbraw/zinc/18/10/04/1059181004.db2.gz MMVAAWUXTYAXJH-YADHBBJMSA-N 2 0 324.512 4.061 20 30 DIEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560798071 1060659204 /nfs/dbraw/zinc/65/92/04/1060659204.db2.gz WTOQVQZNABFCRU-ICSRJNTNSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462508543 1061218460 /nfs/dbraw/zinc/21/84/60/1061218460.db2.gz OCBBIUSDDLMEFD-IHPCNDPISA-N 2 0 300.490 4.089 20 30 DIEDRP CCCCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473760173 1061394698 /nfs/dbraw/zinc/39/46/98/1061394698.db2.gz YBILSIZQRHKSNS-SFHVURJKSA-N 2 0 303.494 4.343 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001473916337 1061463155 /nfs/dbraw/zinc/46/31/55/1061463155.db2.gz VVNLICZEYZHRKP-YLJYHZDGSA-N 2 0 300.490 4.363 20 30 DIEDRP C=CC(C)(C)CC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC001474219305 1061778063 /nfs/dbraw/zinc/77/80/63/1061778063.db2.gz ZIQVNANTUFIEMZ-SFHVURJKSA-N 2 0 300.490 4.231 20 30 DIEDRP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H]1C ZINC001255157843 1062343287 /nfs/dbraw/zinc/34/32/87/1062343287.db2.gz XCLWBMIZQJUSGA-OUIJSLBESA-N 2 0 319.537 4.227 20 30 DIEDRP C#CCCCCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001460096618 1062634679 /nfs/dbraw/zinc/63/46/79/1062634679.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 2 0 324.512 4.168 20 30 DIEDRP C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC(C)C)CC1 ZINC001258014232 1063464293 /nfs/dbraw/zinc/46/42/93/1063464293.db2.gz GGNCCSMLKQHKFJ-UHFFFAOYSA-N 2 0 300.490 4.185 20 30 DIEDRP C#CCCC[N@H+]1CCCC2(C[NH+](C[C@H](CC)CCCC)C2)C1 ZINC001279239337 1064337242 /nfs/dbraw/zinc/33/72/42/1064337242.db2.gz RIJSNLALQVNLKG-LJQANCHMSA-N 2 0 304.522 4.014 20 30 DIEDRP C=CCCCCC[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279271988 1064339034 /nfs/dbraw/zinc/33/90/34/1064339034.db2.gz KLZOFNICXOYBQZ-UHFFFAOYSA-N 2 0 315.505 4.049 20 30 DIEDRP C#CCCCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308644883 1066134831 /nfs/dbraw/zinc/13/48/31/1066134831.db2.gz XDNNPBBXFIGANI-FPOVZHCZSA-N 2 0 312.501 4.070 20 30 DIEDRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710294 334100083 /nfs/dbraw/zinc/10/00/83/334100083.db2.gz LNJGRYOKPPZGIZ-NRFANRHFSA-N 2 0 321.468 4.251 20 30 DIEDRP C[C@@H](c1ccccc1)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174402574 337141660 /nfs/dbraw/zinc/14/16/60/337141660.db2.gz OIQNHTUEBFAPBH-KRWDZBQOSA-N 2 0 313.489 4.132 20 30 DIEDRP CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447509404 338553185 /nfs/dbraw/zinc/55/31/85/338553185.db2.gz MPFQHRMJSVQYEG-QFBILLFUSA-N 2 0 301.478 4.109 20 30 DIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449066924 338589981 /nfs/dbraw/zinc/58/99/81/338589981.db2.gz GUGHPYPNWOQXQU-UHFFFAOYSA-N 2 0 313.489 4.090 20 30 DIEDRP C=CCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459458757 339030255 /nfs/dbraw/zinc/03/02/55/339030255.db2.gz YXDKIFAJKGFHRS-OAQYLSRUSA-N 2 0 321.468 4.348 20 30 DIEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650034 340370998 /nfs/dbraw/zinc/37/09/98/340370998.db2.gz WNRAZXWDGHUDAX-HOTGVXAUSA-N 2 0 317.452 4.003 20 30 DIEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512671660 340372403 /nfs/dbraw/zinc/37/24/03/340372403.db2.gz GQRWEKQYMSYXNI-INIZCTEOSA-N 2 0 317.452 4.004 20 30 DIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540594698 340937355 /nfs/dbraw/zinc/93/73/55/340937355.db2.gz XSQNBQUZCBNAAW-FFZOFVMBSA-N 2 0 313.489 4.109 20 30 DIEDRP C=CCCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398026387 1037095393 /nfs/dbraw/zinc/09/53/93/1037095393.db2.gz MCVPXFFLSCAMNA-AZUAARDMSA-N 2 0 300.490 4.233 20 30 DIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000602544507 1038033717 /nfs/dbraw/zinc/03/37/17/1038033717.db2.gz CFRZTPIOXUYFAZ-GOSISDBHSA-N 2 0 313.489 4.092 20 30 DIEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000599662131 1038330860 /nfs/dbraw/zinc/33/08/60/1038330860.db2.gz ZCZNHBHPEPQJJY-QGZVFWFLSA-N 2 0 321.468 4.203 20 30 DIEDRP C=CCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646789 1039079512 /nfs/dbraw/zinc/07/95/12/1039079512.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 2 0 312.501 4.329 20 30 DIEDRP C=CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167981860 1042975149 /nfs/dbraw/zinc/97/51/49/1042975149.db2.gz NKGFCKSNKCOVRG-OTYNDTSQSA-N 2 0 310.485 4.299 20 30 DIEDRP C=CC[C@@H]1[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1(C)C ZINC000446827048 1045046072 /nfs/dbraw/zinc/04/60/72/1045046072.db2.gz LYDXTIRTULTJCM-IBGZPJMESA-N 2 0 324.472 4.142 20 30 DIEDRP CC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517961 1045135180 /nfs/dbraw/zinc/13/51/80/1045135180.db2.gz MIHYIVVXPIJHAF-NRFANRHFSA-N 2 0 321.468 4.121 20 30 DIEDRP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525851 1045136133 /nfs/dbraw/zinc/13/61/33/1045136133.db2.gz ABOWFDIVCWANPN-HXUWFJFHSA-N 2 0 313.489 4.254 20 30 DIEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000925185717 1045232099 /nfs/dbraw/zinc/23/20/99/1045232099.db2.gz OOGPSMHBTARMMK-JKSUJKDBSA-N 2 0 307.441 4.032 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344332 1046986860 /nfs/dbraw/zinc/98/68/60/1046986860.db2.gz OILLHXUZFOPRBK-RLLQIKCJSA-N 2 0 300.490 4.056 20 30 DIEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936181 1046989998 /nfs/dbraw/zinc/98/99/98/1046989998.db2.gz ZDGBHPXZHOPOOZ-BJLQDIEVSA-N 2 0 300.490 4.089 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000120738126 1047500028 /nfs/dbraw/zinc/50/00/28/1047500028.db2.gz CPRGYNASVSMPRH-APWZRJJASA-N 2 0 318.530 4.295 20 30 DIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000776162118 1048247418 /nfs/dbraw/zinc/24/74/18/1048247418.db2.gz BIRSMEXHYYWCDP-DZIBYMRMSA-N 2 0 311.473 4.006 20 30 DIEDRP CN(C)c1cc[nH+]cc1C=[NH+]N(c1ccccc1)c1ccccc1 ZINC000776182648 1048259294 /nfs/dbraw/zinc/25/92/94/1048259294.db2.gz CHKQQDKHOGADIE-UHFFFAOYSA-N 2 0 316.408 4.320 20 30 DIEDRP CCCC[N@H+](C)CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001190408462 1048733064 /nfs/dbraw/zinc/73/30/64/1048733064.db2.gz ZFWFXDWCNZUAFF-UHFFFAOYSA-N 2 0 319.537 4.294 20 30 DIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000192947178 1049429439 /nfs/dbraw/zinc/42/94/39/1049429439.db2.gz ZNEFQAZFOYRKJP-QGZVFWFLSA-N 2 0 321.468 4.251 20 30 DIEDRP C=CCCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181410811 1049469988 /nfs/dbraw/zinc/46/99/88/1049469988.db2.gz QGWQQHSODHYMSY-NRFANRHFSA-N 2 0 314.517 4.481 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001208178202 1049982350 /nfs/dbraw/zinc/98/23/50/1049982350.db2.gz NCVYZPREIJOHOG-LJQANCHMSA-N 2 0 302.506 4.097 20 30 DIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000591582463 1050179510 /nfs/dbraw/zinc/17/95/10/1050179510.db2.gz JKKQIEIWWZPZJA-RTWAWAEBSA-N 2 0 319.452 4.005 20 30 DIEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594492986 1050516880 /nfs/dbraw/zinc/51/68/80/1050516880.db2.gz ASPNOYXKUFBIIZ-QGZVFWFLSA-N 2 0 315.505 4.088 20 30 DIEDRP CC(C)[PH+](CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(C)C ZINC001172303950 1051333391 /nfs/dbraw/zinc/33/33/91/1051333391.db2.gz GUCLSQVBSZQMHT-INIZCTEOSA-N 2 0 304.418 4.378 20 30 DIEDRP Cc1ccc(C[N@@H+]([C@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172491744 1051417902 /nfs/dbraw/zinc/41/79/02/1051417902.db2.gz IWCIOLOEQVRDSM-MISYRCLQSA-N 2 0 313.489 4.149 20 30 DIEDRP Cc1ccc(C[N@@H+]([C@@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172491743 1051419022 /nfs/dbraw/zinc/41/90/22/1051419022.db2.gz IWCIOLOEQVRDSM-IHPCNDPISA-N 2 0 313.489 4.149 20 30 DIEDRP N#CCC1CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332308 1051697566 /nfs/dbraw/zinc/69/75/66/1051697566.db2.gz KDUOANOPNWUPJE-YAEFEIELSA-N 2 0 317.521 4.221 20 30 DIEDRP N#CCC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001173333488 1051697782 /nfs/dbraw/zinc/69/77/82/1051697782.db2.gz JBYANKMFLJBWBI-UHFFFAOYSA-N 2 0 317.521 4.093 20 30 DIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093844604 1053457578 /nfs/dbraw/zinc/45/75/78/1053457578.db2.gz HENJGCLPERBMGF-GOSISDBHSA-N 2 0 319.537 4.293 20 30 DIEDRP CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092951 1054653167 /nfs/dbraw/zinc/65/31/67/1054653167.db2.gz XWRXUZREUABOIY-MRXNPFEDSA-N 2 0 302.453 4.058 20 30 DIEDRP CC[NH+](CC)CCCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000180791696 1054777797 /nfs/dbraw/zinc/77/77/97/1054777797.db2.gz KMTWGKSELOOOAR-UHFFFAOYSA-N 2 0 307.526 4.150 20 30 DIEDRP CCCCCCCCCCN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001236422213 1055108037 /nfs/dbraw/zinc/10/80/37/1055108037.db2.gz DBVOQNSSPOODFH-UHFFFAOYSA-N 2 0 323.550 4.361 20 30 DIEDRP CCCCCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500184 1055151021 /nfs/dbraw/zinc/15/10/21/1055151021.db2.gz YJTDKXNDWPWPMZ-UHFFFAOYSA-N 2 0 324.459 4.489 20 30 DIEDRP C=CCCCCCC[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565147 1055186333 /nfs/dbraw/zinc/18/63/33/1055186333.db2.gz WIPQCWDFGDIGGL-MXVIHJGJSA-N 2 0 315.505 4.290 20 30 DIEDRP C=CCCC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001278253927 1055691264 /nfs/dbraw/zinc/69/12/64/1055691264.db2.gz NJVCGEHOSAFCDD-UHFFFAOYSA-N 2 0 318.427 4.083 20 30 DIEDRP C=CCCCC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001278269776 1055727786 /nfs/dbraw/zinc/72/77/86/1055727786.db2.gz SBNNRTXESBZWQT-FQEVSTJZSA-N 2 0 315.505 4.049 20 30 DIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001620757243 1055929065 /nfs/dbraw/zinc/92/90/65/1055929065.db2.gz FDSKWZXNOAMILY-SJLPKXTDSA-N 2 0 318.530 4.295 20 30 DIEDRP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743312 1056619315 /nfs/dbraw/zinc/61/93/15/1056619315.db2.gz WSPRGEJHNJEUQQ-AZUAARDMSA-N 2 0 300.490 4.233 20 30 DIEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639094 1057490683 /nfs/dbraw/zinc/49/06/83/1057490683.db2.gz FWZVTPVWCFIYFZ-CTNGQTDRSA-N 2 0 312.501 4.233 20 30 DIEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390011 1057596948 /nfs/dbraw/zinc/59/69/48/1057596948.db2.gz HCYSRIXESPXZSS-OXQOHEQNSA-N 2 0 313.489 4.036 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C12CCC([NH3+])(CC1)CC2 ZINC001245989001 1058652599 /nfs/dbraw/zinc/65/25/99/1058652599.db2.gz SPDRTEKOARSTMW-XEVCZEQESA-N 2 0 324.553 4.272 20 30 DIEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001246023900 1058656954 /nfs/dbraw/zinc/65/69/54/1058656954.db2.gz CHQULJSBWTVPET-LJQANCHMSA-N 2 0 324.553 4.081 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001246086544 1058670648 /nfs/dbraw/zinc/67/06/48/1058670648.db2.gz DGIQLAMARPVYQV-HOTGVXAUSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001246090011 1058673835 /nfs/dbraw/zinc/67/38/35/1058673835.db2.gz UZHRFTVSJXKJDV-HZPDHXFCSA-N 2 0 304.469 4.350 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+]CCCOC1CC[NH2+]CC1 ZINC001246114846 1058683964 /nfs/dbraw/zinc/68/39/64/1058683964.db2.gz OKTWBQXUSLCWED-SFHVURJKSA-N 2 0 312.542 4.264 20 30 DIEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246132515 1058689758 /nfs/dbraw/zinc/68/97/58/1058689758.db2.gz LXPLTNCFDCLYRV-QZTJIDSGSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246132497 1058690062 /nfs/dbraw/zinc/69/00/62/1058690062.db2.gz LTXBGGUIYPRSAY-IYWMVGAKSA-N 2 0 324.553 4.120 20 30 DIEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137775 1058693465 /nfs/dbraw/zinc/69/34/65/1058693465.db2.gz XDCCIYWNXPZCNB-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001246138401 1058693825 /nfs/dbraw/zinc/69/38/25/1058693825.db2.gz ZTIYGTWFKBZWHD-OALUTQOASA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246134970 1058693836 /nfs/dbraw/zinc/69/38/36/1058693836.db2.gz WMSSPOJFJSXZSH-RBUKOAKNSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246146282 1058696274 /nfs/dbraw/zinc/69/62/74/1058696274.db2.gz GQAKFEVCNIAYEQ-IPMKNSEASA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001246148710 1058698319 /nfs/dbraw/zinc/69/83/19/1058698319.db2.gz QDSXMKZYYGPXAC-XUVXKRRUSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@H](C)[NH2+][C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001246150383 1058699909 /nfs/dbraw/zinc/69/99/09/1058699909.db2.gz GKCPZOUMSOQSNL-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155984 1058701112 /nfs/dbraw/zinc/70/11/12/1058701112.db2.gz HRPJFKWDHXGEID-AABGKKOBSA-N 2 0 324.553 4.264 20 30 DIEDRP CCCCCCCC[C@@H](CCC)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246168577 1058714027 /nfs/dbraw/zinc/71/40/27/1058714027.db2.gz DVVZVPBHEVKBFB-RTBURBONSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246174421 1058719745 /nfs/dbraw/zinc/71/97/45/1058719745.db2.gz KVUXLCIJSAGTEL-MOPGFXCFSA-N 2 0 324.553 4.406 20 30 DIEDRP CCCCCCCCCCC[C@H](C)N(C(N)=[NH2+])C1CC[NH2+]CC1 ZINC001246197668 1058738690 /nfs/dbraw/zinc/73/86/90/1058738690.db2.gz QKNAPAMWBYKBMB-KRWDZBQOSA-N 2 0 324.557 4.243 20 30 DIEDRP CCCCCCCCCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246213614 1058744889 /nfs/dbraw/zinc/74/48/89/1058744889.db2.gz RDGCGXQKBMTORX-UHFFFAOYSA-N 2 0 310.526 4.018 20 30 DIEDRP CCCCCCCC[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246250679 1058769276 /nfs/dbraw/zinc/76/92/76/1058769276.db2.gz XOHNWLBBLHKGQG-VQTJNVASSA-N 2 0 302.506 4.300 20 30 DIEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246255835 1058776583 /nfs/dbraw/zinc/77/65/83/1058776583.db2.gz MBLZWRQBEQSAOC-OTWHNJEPSA-N 2 0 310.526 4.016 20 30 DIEDRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(C#N)c1 ZINC001246318385 1058828571 /nfs/dbraw/zinc/82/85/71/1058828571.db2.gz SPSPBDMUYKDHQS-RTBURBONSA-N 2 0 311.473 4.054 20 30 DIEDRP CCCCCCCCCCCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246342276 1058851838 /nfs/dbraw/zinc/85/18/38/1058851838.db2.gz OLGXUURUVZCJKC-IBGZPJMESA-N 2 0 324.553 4.408 20 30 DIEDRP CCCCCCC[C@@H](CCC)[NH2+]C1(CCOC)CC[NH2+]CC1 ZINC001246396785 1058901162 /nfs/dbraw/zinc/90/11/62/1058901162.db2.gz YWKKJVOMXKCEIY-GOSISDBHSA-N 2 0 312.542 4.264 20 30 DIEDRP C=CCC[C@@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246428310 1058922534 /nfs/dbraw/zinc/92/25/34/1058922534.db2.gz YOEKHWGJZKIHOO-MRXNPFEDSA-N 2 0 320.908 4.197 20 30 DIEDRP CCCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246550146 1058996639 /nfs/dbraw/zinc/99/66/39/1058996639.db2.gz JFBAEQPISGIQJK-OALUTQOASA-N 2 0 312.542 4.081 20 30 DIEDRP C=C1C[C@@H]2CC([NH+]3CCC(C[NH3+])(c4ccccc4)CC3)C[C@H](C1)C2 ZINC001246586652 1059012217 /nfs/dbraw/zinc/01/22/17/1059012217.db2.gz CRTYYGGOXLNVKS-PMSBKCLSSA-N 2 0 324.512 4.114 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246638288 1059045854 /nfs/dbraw/zinc/04/58/54/1059045854.db2.gz LKBALMSYAVDMBX-DLBZAZTESA-N 2 0 316.480 4.446 20 30 DIEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001246664527 1059059774 /nfs/dbraw/zinc/05/97/74/1059059774.db2.gz RMBARYKLXHYWKZ-GOSISDBHSA-N 2 0 324.553 4.359 20 30 DIEDRP N#CCC[N@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001246771758 1059071982 /nfs/dbraw/zinc/07/19/82/1059071982.db2.gz ZILTVQAQQLQVSD-LJQANCHMSA-N 2 0 317.521 4.237 20 30 DIEDRP N#CCC[N@H+]([C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770767 1059072077 /nfs/dbraw/zinc/07/20/77/1059072077.db2.gz SKHHMKXQULLEJV-PMACEKPBSA-N 2 0 317.521 4.237 20 30 DIEDRP N#CCC[N@H+](C1CCC2(CC[NH2+]C2)CC1)C1CCCCCCC1 ZINC001246768981 1059076435 /nfs/dbraw/zinc/07/64/35/1059076435.db2.gz HORGKSFEQVUVHL-UHFFFAOYSA-N 2 0 317.521 4.237 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933474 1059180744 /nfs/dbraw/zinc/18/07/44/1059180744.db2.gz IVXKQHSAYUXHME-RRFJBIMHSA-N 2 0 308.432 4.337 20 30 DIEDRP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933478 1059184764 /nfs/dbraw/zinc/18/47/64/1059184764.db2.gz IVXKQHSAYUXHME-ZNMIVQPWSA-N 2 0 308.432 4.337 20 30 DIEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246979704 1059221693 /nfs/dbraw/zinc/22/16/93/1059221693.db2.gz ZTVCRYPWTYCTBS-QUCCMNQESA-N 2 0 323.569 4.013 20 30 DIEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246978661 1059223431 /nfs/dbraw/zinc/22/34/31/1059223431.db2.gz VHQFUZYYLZLFAM-VQTJNVASSA-N 2 0 323.569 4.013 20 30 DIEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001560798073 1060659115 /nfs/dbraw/zinc/65/91/15/1060659115.db2.gz WTOQVQZNABFCRU-UYAOXDASSA-N 2 0 300.490 4.233 20 30 DIEDRP N#Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)c1 ZINC001278588432 1060993344 /nfs/dbraw/zinc/99/33/44/1060993344.db2.gz XTSZMGLAFYPBMZ-LEWJYISDSA-N 2 0 323.484 4.025 20 30 DIEDRP CCCCCCCC[C@@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001252134421 1061592471 /nfs/dbraw/zinc/59/24/71/1061592471.db2.gz RDELHNQGKOUHQB-RTBURBONSA-N 2 0 314.558 4.198 20 30 DIEDRP C=CCC[C@H](O)C[NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C ZINC001252623515 1061682339 /nfs/dbraw/zinc/68/23/39/1061682339.db2.gz LHPOSEFZPAPZHR-HNNXBMFYSA-N 2 0 301.455 4.372 20 30 DIEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC001474219267 1061776593 /nfs/dbraw/zinc/77/65/93/1061776593.db2.gz XPRANTREMNUHAH-LJQANCHMSA-N 2 0 312.501 4.376 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C3CCC([NH+](CC)CC)CC3)C[C@H](C1)C2 ZINC001257887495 1063426131 /nfs/dbraw/zinc/42/61/31/1063426131.db2.gz AMDNOKHPCFIDBK-ZMAWRVNSSA-N 2 0 304.522 4.364 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@@H]([NH+](CC)CC)CC3)C[C@H](C1)C2 ZINC001257889464 1063427469 /nfs/dbraw/zinc/42/74/69/1063427469.db2.gz AMDNOKHPCFIDBK-AVEMMNSYSA-N 2 0 304.522 4.364 20 30 DIEDRP C=CCCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001473145395 1063450816 /nfs/dbraw/zinc/45/08/16/1063450816.db2.gz ITXYHZOKNRLYSS-UHFFFAOYSA-N 2 0 300.490 4.187 20 30 DIEDRP CCCCCCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258040724 1063473314 /nfs/dbraw/zinc/47/33/14/1063473314.db2.gz HITAQCIVOSMTNY-SFHVURJKSA-N 2 0 317.521 4.166 20 30 DIEDRP C=CCC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722582 1063776181 /nfs/dbraw/zinc/77/61/81/1063776181.db2.gz KEGKIGLJSRLVHW-SNRMKQJTSA-N 2 0 304.453 4.252 20 30 DIEDRP C=CCC[C@@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724449 1063778646 /nfs/dbraw/zinc/77/86/46/1063778646.db2.gz WRBZUODBSLUGGA-MISYRCLQSA-N 2 0 300.490 4.422 20 30 DIEDRP C=CCC[C@@H](C)[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001258728071 1063780601 /nfs/dbraw/zinc/78/06/01/1063780601.db2.gz MAHUWDKPZSTKEH-IEBWSBKVSA-N 2 0 316.489 4.311 20 30 DIEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000700345525 1064211434 /nfs/dbraw/zinc/21/14/34/1064211434.db2.gz CSCXMIQJGHYWHH-CCDCCJRHSA-N 2 0 324.512 4.233 20 30 DIEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001279491189 1064352971 /nfs/dbraw/zinc/35/29/71/1064352971.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 2 0 302.506 4.097 20 30 DIEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976563 1066429626 /nfs/dbraw/zinc/42/96/26/1066429626.db2.gz XLUOFVCQORYYRP-FYZZASKESA-N 2 0 312.501 4.231 20 30 DIEDRP