smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000187759041 337268109 /nfs/dbraw/zinc/26/81/09/337268109.db2.gz RBYIDCBMHOBINA-GOSISDBHSA-N 2 1 319.399 4.157 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438197684 338336154 /nfs/dbraw/zinc/33/61/54/338336154.db2.gz DGJCBRHGWOXSMW-RTWAWAEBSA-N 2 1 312.501 4.127 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000468366287 339260733 /nfs/dbraw/zinc/26/07/33/339260733.db2.gz FEKJXATYYGTAEB-CTNGQTDRSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474708963 339423097 /nfs/dbraw/zinc/42/30/97/339423097.db2.gz MOWJOUNAVCZBIN-FQEVSTJZSA-N 2 1 300.490 4.056 20 30 DIEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650033 340370979 /nfs/dbraw/zinc/37/09/79/340370979.db2.gz WNRAZXWDGHUDAX-CVEARBPZSA-N 2 1 317.452 4.003 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000153012332 341518533 /nfs/dbraw/zinc/51/85/33/341518533.db2.gz XDUAIVJYRDFJSA-UXHICEINSA-N 2 1 316.464 4.092 20 30 DIEDMP C=CCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209207010 1036060436 /nfs/dbraw/zinc/06/04/36/1036060436.db2.gz HHVGGLBGGXLLEI-DOIPELPJSA-N 2 1 314.517 4.238 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000602515225 1038025827 /nfs/dbraw/zinc/02/58/27/1038025827.db2.gz OVEWKLDAMVNJDB-MSOLQXFVSA-N 2 1 313.489 4.090 20 30 DIEDMP C#CCCCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503770 1038480572 /nfs/dbraw/zinc/48/05/72/1038480572.db2.gz DTQOQEWAQTVEEE-NRFANRHFSA-N 2 1 312.501 4.024 20 30 DIEDMP C#CCCCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503770 1038480573 /nfs/dbraw/zinc/48/05/73/1038480573.db2.gz DTQOQEWAQTVEEE-NRFANRHFSA-N 2 1 312.501 4.024 20 30 DIEDMP C#CCCCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503770 1038480576 /nfs/dbraw/zinc/48/05/76/1038480576.db2.gz DTQOQEWAQTVEEE-NRFANRHFSA-N 2 1 312.501 4.024 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000651718891 1041892531 /nfs/dbraw/zinc/89/25/31/1041892531.db2.gz CDTGMQFIAITAHJ-VUHPKUFZSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000651718891 1041892537 /nfs/dbraw/zinc/89/25/37/1041892537.db2.gz CDTGMQFIAITAHJ-VUHPKUFZSA-N 2 1 318.530 4.465 20 30 DIEDMP C#CC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033531 1043752699 /nfs/dbraw/zinc/75/26/99/1043752699.db2.gz MBFSEVSGDOJUIT-CEQLMSFQSA-N 2 1 324.512 4.354 20 30 DIEDMP C#CC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033531 1043752701 /nfs/dbraw/zinc/75/27/01/1043752701.db2.gz MBFSEVSGDOJUIT-CEQLMSFQSA-N 2 1 324.512 4.354 20 30 DIEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447535580 1045141331 /nfs/dbraw/zinc/14/13/31/1045141331.db2.gz HFSJVUIZIIBQIZ-FXAWDEMLSA-N 2 1 313.489 4.254 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](CCCC(C)(C)C#N)CC1)CC(C)C ZINC000539098519 1047736746 /nfs/dbraw/zinc/73/67/46/1047736746.db2.gz SCAVXEZWHSOSAO-UHFFFAOYSA-N 2 1 321.553 4.396 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001199295159 1048054819 /nfs/dbraw/zinc/05/48/19/1048054819.db2.gz FWFKGUJOOTUTCX-YLJYHZDGSA-N 2 1 300.490 4.361 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001200942362 1048166604 /nfs/dbraw/zinc/16/66/04/1048166604.db2.gz OULCICDDXKPJCX-NLWGTHIKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555592114 1048396449 /nfs/dbraw/zinc/39/64/49/1048396449.db2.gz MGRMLBLLSGNWCB-PKOBYXMFSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555592114 1048396464 /nfs/dbraw/zinc/39/64/64/1048396464.db2.gz MGRMLBLLSGNWCB-PKOBYXMFSA-N 2 1 300.490 4.231 20 30 DIEDMP CCCCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281401 1048617434 /nfs/dbraw/zinc/61/74/34/1048617434.db2.gz NGJCSUMZTAEWKH-GOSISDBHSA-N 2 1 303.494 4.343 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001177669378 1048927166 /nfs/dbraw/zinc/92/71/66/1048927166.db2.gz XDFPOJJORRSVLI-MISYRCLQSA-N 2 1 304.522 4.366 20 30 DIEDMP C=CCC[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213517 /nfs/dbraw/zinc/21/35/17/1049213517.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CCC[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213529 /nfs/dbraw/zinc/21/35/29/1049213529.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CCC[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213544 /nfs/dbraw/zinc/21/35/44/1049213544.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CC[N@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001181044593 1049432038 /nfs/dbraw/zinc/43/20/38/1049432038.db2.gz WBUATALCFSTUGY-HXUWFJFHSA-N 2 1 300.490 4.043 20 30 DIEDMP C=CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181044593 1049432041 /nfs/dbraw/zinc/43/20/41/1049432041.db2.gz WBUATALCFSTUGY-HXUWFJFHSA-N 2 1 300.490 4.043 20 30 DIEDMP C=CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181044593 1049432046 /nfs/dbraw/zinc/43/20/46/1049432046.db2.gz WBUATALCFSTUGY-HXUWFJFHSA-N 2 1 300.490 4.043 20 30 DIEDMP C=CCCCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205733969 1049547538 /nfs/dbraw/zinc/54/75/38/1049547538.db2.gz AITVGZVCVXABNH-MRXNPFEDSA-N 2 1 302.453 4.209 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951875 1050029670 /nfs/dbraw/zinc/02/96/70/1050029670.db2.gz FTSLAMILXGKSGA-QFIPXVFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951875 1050029673 /nfs/dbraw/zinc/02/96/73/1050029673.db2.gz FTSLAMILXGKSGA-QFIPXVFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951875 1050029681 /nfs/dbraw/zinc/02/96/81/1050029681.db2.gz FTSLAMILXGKSGA-QFIPXVFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951875 1050029686 /nfs/dbraw/zinc/02/96/86/1050029686.db2.gz FTSLAMILXGKSGA-QFIPXVFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209161181 1050040934 /nfs/dbraw/zinc/04/09/34/1050040934.db2.gz INTYTAKJLUFOSX-YTQUADARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209161181 1050040937 /nfs/dbraw/zinc/04/09/37/1050040937.db2.gz INTYTAKJLUFOSX-YTQUADARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209161181 1050040942 /nfs/dbraw/zinc/04/09/42/1050040942.db2.gz INTYTAKJLUFOSX-YTQUADARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209202707 1050043966 /nfs/dbraw/zinc/04/39/66/1050043966.db2.gz OADPLOYGPIJJCN-ACRUOGEOSA-N 2 1 312.501 4.453 20 30 DIEDMP C=CCCCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209202707 1050043969 /nfs/dbraw/zinc/04/39/69/1050043969.db2.gz OADPLOYGPIJJCN-ACRUOGEOSA-N 2 1 312.501 4.453 20 30 DIEDMP C=CCCCC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209202707 1050043973 /nfs/dbraw/zinc/04/39/73/1050043973.db2.gz OADPLOYGPIJJCN-ACRUOGEOSA-N 2 1 312.501 4.453 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348206889 1051004703 /nfs/dbraw/zinc/00/47/03/1051004703.db2.gz MRQQBCPUBFPEOH-HNNXBMFYSA-N 2 1 310.445 4.161 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000773117779 1051067411 /nfs/dbraw/zinc/06/74/11/1051067411.db2.gz WVMZKPATOVLGSS-NRFANRHFSA-N 2 1 310.485 4.138 20 30 DIEDMP C=C(C)C[N@@H+](CC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273226 /nfs/dbraw/zinc/27/32/26/1051273226.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273238 /nfs/dbraw/zinc/27/32/38/1051273238.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273250 /nfs/dbraw/zinc/27/32/50/1051273250.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273261 /nfs/dbraw/zinc/27/32/61/1051273261.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075540 1051280541 /nfs/dbraw/zinc/28/05/41/1051280541.db2.gz RNOJXJPLHNAHGV-WKCHPHFGSA-N 2 1 310.485 4.246 20 30 DIEDMP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075540 1051280550 /nfs/dbraw/zinc/28/05/50/1051280550.db2.gz RNOJXJPLHNAHGV-WKCHPHFGSA-N 2 1 310.485 4.246 20 30 DIEDMP C[C@H](CCCC#N)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488993 1051417159 /nfs/dbraw/zinc/41/71/59/1051417159.db2.gz XUOPIXPEHWEUFR-BHIYHBOVSA-N 2 1 305.510 4.221 20 30 DIEDMP C=CCc1cc(C)c[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142284 1051533963 /nfs/dbraw/zinc/53/39/63/1051533963.db2.gz MGIKPOLWXWDPED-QFBILLFUSA-N 2 1 301.478 4.074 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(C)(C)CC[NH+](C)C)cc1 ZINC001169717693 1051681727 /nfs/dbraw/zinc/68/17/27/1051681727.db2.gz JNUQRMKCIYPEMG-LJQANCHMSA-N 2 1 315.505 4.152 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975732 1051760334 /nfs/dbraw/zinc/76/03/34/1051760334.db2.gz DFFLVPNQTPBBDZ-CQSZACIVSA-N 2 1 322.880 4.040 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691603 1052061198 /nfs/dbraw/zinc/06/11/98/1052061198.db2.gz JKOYZKKHJUUZDE-AWEZNQCLSA-N 2 1 322.880 4.045 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000152979806 1053564507 /nfs/dbraw/zinc/56/45/07/1053564507.db2.gz YMFUQDWGZFGYNG-CQSZACIVSA-N 2 1 322.493 4.239 20 30 DIEDMP C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001334049763 1054179927 /nfs/dbraw/zinc/17/99/27/1054179927.db2.gz SQDGEJFHMKMSKI-ROUUACIJSA-N 2 1 317.521 4.093 20 30 DIEDMP C=CCCCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379833 1054711454 /nfs/dbraw/zinc/71/14/54/1054711454.db2.gz RKAHKTVSYFJKLA-RTWAWAEBSA-N 2 1 312.501 4.202 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429455 1054718158 /nfs/dbraw/zinc/71/81/58/1054718158.db2.gz YAGMCJOROIBSMN-HSALFYBXSA-N 2 1 302.506 4.001 20 30 DIEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001474595248 1054834837 /nfs/dbraw/zinc/83/48/37/1054834837.db2.gz IRZNJALJDPVOIS-NRSPTQNISA-N 2 1 314.517 4.446 20 30 DIEDMP C[C@@H](c1ccccc1)[N@@H+](CCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC001236144287 1054968371 /nfs/dbraw/zinc/96/83/71/1054968371.db2.gz NZTOQNKLKYWWLA-SFHVURJKSA-N 2 1 321.468 4.250 20 30 DIEDMP C[C@H](c1ccccc1)[N@@H+](CCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC001236144285 1054969177 /nfs/dbraw/zinc/96/91/77/1054969177.db2.gz NZTOQNKLKYWWLA-GOSISDBHSA-N 2 1 321.468 4.250 20 30 DIEDMP C=CCCCCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287965 1055050361 /nfs/dbraw/zinc/05/03/61/1055050361.db2.gz UTKUGFPZGDMMBD-UHFFFAOYSA-N 2 1 300.490 4.377 20 30 DIEDMP C=CCCCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236491381 1055143407 /nfs/dbraw/zinc/14/34/07/1055143407.db2.gz FNNSQYPEOWRKIQ-UHFFFAOYSA-N 2 1 318.480 4.435 20 30 DIEDMP C=CCCCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236491381 1055143418 /nfs/dbraw/zinc/14/34/18/1055143418.db2.gz FNNSQYPEOWRKIQ-UHFFFAOYSA-N 2 1 318.480 4.435 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605849 1055203621 /nfs/dbraw/zinc/20/36/21/1055203621.db2.gz VSLHZOQQVJEEKF-FQEVSTJZSA-N 2 1 318.505 4.207 20 30 DIEDMP CCCCCCCCCCC[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236623403 1055207162 /nfs/dbraw/zinc/20/71/62/1055207162.db2.gz UDOBUSHKZCYIQG-FQEVSTJZSA-N 2 1 323.569 4.015 20 30 DIEDMP C=CCCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001278269556 1055727759 /nfs/dbraw/zinc/72/77/59/1055727759.db2.gz LALCXPWQRYIUGM-UHFFFAOYSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245899278 1058607403 /nfs/dbraw/zinc/60/74/03/1058607403.db2.gz DBXZILVFPZXPFX-FQEVSTJZSA-N 2 1 303.409 4.324 20 30 DIEDMP CCCCCCCCCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246241451 1058763935 /nfs/dbraw/zinc/76/39/35/1058763935.db2.gz RWBMYALXMNYFFP-MSOLQXFVSA-N 2 1 300.531 4.249 20 30 DIEDMP CCCCCCCCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242172 1058766359 /nfs/dbraw/zinc/76/63/59/1058766359.db2.gz XOAPRRNRGOXMQJ-ROUUACIJSA-N 2 1 300.531 4.249 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316678 1058830929 /nfs/dbraw/zinc/83/09/29/1058830929.db2.gz JFYGCZGAEJXLDM-ULQDDVLXSA-N 2 1 316.489 4.211 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658753 1059055308 /nfs/dbraw/zinc/05/53/08/1059055308.db2.gz VVQXQAPLHGKCNX-JYJNAYRXSA-N 2 1 320.443 4.209 20 30 DIEDMP CC(C)[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769145 1059075538 /nfs/dbraw/zinc/07/55/38/1059075538.db2.gz IMKDGJWBGYIOAR-MOPGFXCFSA-N 2 1 305.510 4.092 20 30 DIEDMP CC(C)[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769145 1059075551 /nfs/dbraw/zinc/07/55/51/1059075551.db2.gz IMKDGJWBGYIOAR-MOPGFXCFSA-N 2 1 305.510 4.092 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796292 1059103036 /nfs/dbraw/zinc/10/30/36/1059103036.db2.gz PSIJNSFYAXRXAR-VQTJNVASSA-N 2 1 300.490 4.376 20 30 DIEDMP C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462560173 1061262160 /nfs/dbraw/zinc/26/21/60/1061262160.db2.gz AHMLNQKCYJWOIP-QUCCMNQESA-N 2 1 314.517 4.479 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252987707 1061780452 /nfs/dbraw/zinc/78/04/52/1061780452.db2.gz VYZDBMBBOJNZRC-IYWMVGAKSA-N 2 1 324.553 4.093 20 30 DIEDMP C=CCCCCCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253242568 1061840716 /nfs/dbraw/zinc/84/07/16/1061840716.db2.gz NGUGPJOARNQPNO-HXUWFJFHSA-N 2 1 324.553 4.070 20 30 DIEDMP CC[C@H](CC#N)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162056 1062348402 /nfs/dbraw/zinc/34/84/02/1062348402.db2.gz GCJYDVPBEBWLQI-KZNAEPCWSA-N 2 1 319.880 4.104 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885370 /nfs/dbraw/zinc/88/53/70/1062885370.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885387 /nfs/dbraw/zinc/88/53/87/1062885387.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885404 /nfs/dbraw/zinc/88/54/04/1062885404.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885423 /nfs/dbraw/zinc/88/54/23/1062885423.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461120722 1063272010 /nfs/dbraw/zinc/27/20/10/1063272010.db2.gz LZMVJWYKRLTWPI-GIVPXCGWSA-N 2 1 312.501 4.233 20 30 DIEDMP C=C1C[C@@H]2CC([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890609 1063427706 /nfs/dbraw/zinc/42/77/06/1063427706.db2.gz ZVQPUJHDZGXLJM-DPSFSNCASA-N 2 1 304.522 4.349 20 30 DIEDMP CCCCCCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049319 1063480855 /nfs/dbraw/zinc/48/08/55/1063480855.db2.gz FCVLJTZYBMZILD-QUCCMNQESA-N 2 1 324.553 4.311 20 30 DIEDMP C=CCC[C@@H](C)[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722633 1063776347 /nfs/dbraw/zinc/77/63/47/1063776347.db2.gz LKSXNFKSVNOAFZ-BHIYHBOVSA-N 2 1 316.489 4.122 20 30 DIEDMP C=CCC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001258731040 1063781924 /nfs/dbraw/zinc/78/19/24/1063781924.db2.gz UIEVAFWLUBPHKT-FIRPJDEBSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001258731040 1063781934 /nfs/dbraw/zinc/78/19/34/1063781934.db2.gz UIEVAFWLUBPHKT-FIRPJDEBSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001258731040 1063781948 /nfs/dbraw/zinc/78/19/48/1063781948.db2.gz UIEVAFWLUBPHKT-FIRPJDEBSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001258731042 1063782012 /nfs/dbraw/zinc/78/20/12/1063782012.db2.gz UIEVAFWLUBPHKT-SEVLPDGMSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001258731042 1063782020 /nfs/dbraw/zinc/78/20/20/1063782020.db2.gz UIEVAFWLUBPHKT-SEVLPDGMSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001258731042 1063782025 /nfs/dbraw/zinc/78/20/25/1063782025.db2.gz UIEVAFWLUBPHKT-SEVLPDGMSA-N 2 1 312.501 4.452 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001258735586 1063784465 /nfs/dbraw/zinc/78/44/65/1063784465.db2.gz XGSHXIIRIFRHCH-SFHVURJKSA-N 2 1 300.490 4.328 20 30 DIEDMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001280181835 1064383902 /nfs/dbraw/zinc/38/39/02/1064383902.db2.gz XPVGWROQXMARLB-MVCQKVDPSA-N 2 1 305.510 4.092 20 30 DIEDMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC001280181835 1064383909 /nfs/dbraw/zinc/38/39/09/1064383909.db2.gz XPVGWROQXMARLB-MVCQKVDPSA-N 2 1 305.510 4.092 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001308246800 1065852753 /nfs/dbraw/zinc/85/27/53/1065852753.db2.gz GCNZJFHWAZZIBT-SREVYHEPSA-N 2 1 312.501 4.255 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308644884 1066135335 /nfs/dbraw/zinc/13/53/35/1066135335.db2.gz XDNNPBBXFIGANI-PZJWPPBQSA-N 2 1 312.501 4.070 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536498370 332253095 /nfs/dbraw/zinc/25/30/95/332253095.db2.gz UNAXIEWMVXIPBL-IBGZPJMESA-N 2 1 318.892 4.348 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390578776 333302787 /nfs/dbraw/zinc/30/27/87/333302787.db2.gz DJWBZAWRSKYNSE-MJGOQNOKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390578776 333302788 /nfs/dbraw/zinc/30/27/88/333302788.db2.gz DJWBZAWRSKYNSE-MJGOQNOKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173398425 337135661 /nfs/dbraw/zinc/13/56/61/337135661.db2.gz UNOYDDFSTQQHSP-HNNXBMFYSA-N 2 1 304.503 4.100 20 30 DIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460407 337142029 /nfs/dbraw/zinc/14/20/29/337142029.db2.gz JPSJUERFWROORY-RDJZCZTQSA-N 2 1 319.518 4.051 20 30 DIEDMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460407 337142030 /nfs/dbraw/zinc/14/20/30/337142030.db2.gz JPSJUERFWROORY-RDJZCZTQSA-N 2 1 319.518 4.051 20 30 DIEDMP C=CCCC[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682839 338223407 /nfs/dbraw/zinc/22/34/07/338223407.db2.gz BFQJFVGGNNXVEO-INIZCTEOSA-N 2 1 301.478 4.144 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438197682 338336149 /nfs/dbraw/zinc/33/61/49/338336149.db2.gz DGJCBRHGWOXSMW-LEWJYISDSA-N 2 1 312.501 4.127 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000482643989 339638774 /nfs/dbraw/zinc/63/87/74/339638774.db2.gz CCFKNIAGWQKJDQ-FQEVSTJZSA-N 2 1 318.480 4.023 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000543104640 341032194 /nfs/dbraw/zinc/03/21/94/341032194.db2.gz VWPOTUPJILRELS-UHFFFAOYSA-N 2 1 318.892 4.216 20 30 DIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181609326 519629653 /nfs/dbraw/zinc/62/96/53/519629653.db2.gz JSJMEGMGWUQIFI-QGZVFWFLSA-N 2 1 321.468 4.249 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180234546 1036047357 /nfs/dbraw/zinc/04/73/57/1036047357.db2.gz QCVLJRJWIIHXKL-UHFFFAOYSA-N 2 1 320.480 4.059 20 30 DIEDMP C=CCCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209206983 1036058289 /nfs/dbraw/zinc/05/82/89/1036058289.db2.gz FTEORIRBBIDXOA-UHFFFAOYSA-N 2 1 304.453 4.078 20 30 DIEDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624770 1037042000 /nfs/dbraw/zinc/04/20/00/1037042000.db2.gz JUIGJVKVJKFPKH-ZWKOTPCHSA-N 2 1 321.468 4.119 20 30 DIEDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624767 1037043093 /nfs/dbraw/zinc/04/30/93/1037043093.db2.gz JUIGJVKVJKFPKH-QZTJIDSGSA-N 2 1 321.468 4.119 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000602515228 1038024524 /nfs/dbraw/zinc/02/45/24/1038024524.db2.gz OVEWKLDAMVNJDB-QZTJIDSGSA-N 2 1 313.489 4.090 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000602513351 1038031238 /nfs/dbraw/zinc/03/12/38/1038031238.db2.gz CBYNGDKLLZSMFT-QZTJIDSGSA-N 2 1 313.489 4.090 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000153017164 1038080697 /nfs/dbraw/zinc/08/06/97/1038080697.db2.gz FTWQHCMPAXOEPN-KRWDZBQOSA-N 2 1 316.489 4.165 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329302 1039027981 /nfs/dbraw/zinc/02/79/81/1039027981.db2.gz XTEBBPPTMOMSMP-ZDUSSCGKSA-N 2 1 310.844 4.170 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541736404 1039735085 /nfs/dbraw/zinc/73/50/85/1039735085.db2.gz INYMJLPUZWRRSN-LJQANCHMSA-N 2 1 302.462 4.059 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492329137 1039951515 /nfs/dbraw/zinc/95/15/15/1039951515.db2.gz LILUBLLKBSNGKO-BJLQDIEVSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998015 1041747551 /nfs/dbraw/zinc/74/75/51/1041747551.db2.gz UJXJUUJYMDHMGL-KNQAVFIVSA-N 2 1 320.480 4.200 20 30 DIEDMP C[C@@H]1CC([NH2+]CC#CC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030747 1043702312 /nfs/dbraw/zinc/70/23/12/1043702312.db2.gz XBVWKUQZWNQIIS-QZTJIDSGSA-N 2 1 312.501 4.067 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935487 1044092176 /nfs/dbraw/zinc/09/21/76/1044092176.db2.gz PNBUBLMGCYWVJW-PMACEKPBSA-N 2 1 300.490 4.233 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230918 1044376744 /nfs/dbraw/zinc/37/67/44/1044376744.db2.gz RBUFTZNECFTZTI-CJNGLKHVSA-N 2 1 322.543 4.304 20 30 DIEDMP CCCCCCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258041098 1045124598 /nfs/dbraw/zinc/12/45/98/1045124598.db2.gz MAVILIPIVSGIED-KRWDZBQOSA-N 3 1 313.574 4.211 20 30 DIEDMP C=CCC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034220 1045199890 /nfs/dbraw/zinc/19/98/90/1045199890.db2.gz WPFDWDKDJDGTLR-UXHICEINSA-N 2 1 324.468 4.399 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034220 1045199902 /nfs/dbraw/zinc/19/99/02/1045199902.db2.gz WPFDWDKDJDGTLR-UXHICEINSA-N 2 1 324.468 4.399 20 30 DIEDMP C=CCC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034219 1045200586 /nfs/dbraw/zinc/20/05/86/1045200586.db2.gz WPFDWDKDJDGTLR-PMACEKPBSA-N 2 1 324.468 4.399 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034219 1045200601 /nfs/dbraw/zinc/20/06/01/1045200601.db2.gz WPFDWDKDJDGTLR-PMACEKPBSA-N 2 1 324.468 4.399 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753663399 1045784915 /nfs/dbraw/zinc/78/49/15/1045784915.db2.gz INRJXGSPGYEFGX-QGZVFWFLSA-N 2 1 316.489 4.003 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000531720295 1045909922 /nfs/dbraw/zinc/90/99/22/1045909922.db2.gz KDQIQGUHKKWLOR-YWZLYKJASA-N 2 1 316.464 4.079 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548237 1046223010 /nfs/dbraw/zinc/22/30/10/1046223010.db2.gz BGKDUMMPBHMYPZ-UHFFFAOYSA-N 2 1 317.436 4.369 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548237 1046223016 /nfs/dbraw/zinc/22/30/16/1046223016.db2.gz BGKDUMMPBHMYPZ-UHFFFAOYSA-N 2 1 317.436 4.369 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753663396 1046414866 /nfs/dbraw/zinc/41/48/66/1046414866.db2.gz INRJXGSPGYEFGX-KRWDZBQOSA-N 2 1 316.489 4.003 20 30 DIEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936184 1046990220 /nfs/dbraw/zinc/99/02/20/1046990220.db2.gz ZDGBHPXZHOPOOZ-NSHGMRRFSA-N 2 1 300.490 4.089 20 30 DIEDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645509 1047089438 /nfs/dbraw/zinc/08/94/38/1047089438.db2.gz HVWKUCLUFCTNBC-ZWKOTPCHSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CCCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147689 1047661193 /nfs/dbraw/zinc/66/11/93/1047661193.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538147689 1047661197 /nfs/dbraw/zinc/66/11/97/1047661197.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538147689 1047661199 /nfs/dbraw/zinc/66/11/99/1047661199.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 2 1 300.490 4.185 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652260 1047952093 /nfs/dbraw/zinc/95/20/93/1047952093.db2.gz PNTMSHFCIAGVOF-RQGSJKACSA-N 2 1 322.496 4.136 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652260 1047952104 /nfs/dbraw/zinc/95/21/04/1047952104.db2.gz PNTMSHFCIAGVOF-RQGSJKACSA-N 2 1 322.496 4.136 20 30 DIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483959054 1048885480 /nfs/dbraw/zinc/88/54/80/1048885480.db2.gz QOORKCKKOZFMEC-HXUWFJFHSA-N 2 1 324.512 4.015 20 30 DIEDMP C=C(C)CN(C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293443 1049638471 /nfs/dbraw/zinc/63/84/71/1049638471.db2.gz LOMYGXXAMVZFTL-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=C(C)C[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001196293443 1049638476 /nfs/dbraw/zinc/63/84/76/1049638476.db2.gz LOMYGXXAMVZFTL-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=C(C)C[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001196293443 1049638480 /nfs/dbraw/zinc/63/84/80/1049638480.db2.gz LOMYGXXAMVZFTL-QFIPXVFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209438997 1050059651 /nfs/dbraw/zinc/05/96/51/1050059651.db2.gz FDWNEDXBBXERBZ-HXUWFJFHSA-N 2 1 322.537 4.088 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209438997 1050059656 /nfs/dbraw/zinc/05/96/56/1050059656.db2.gz FDWNEDXBBXERBZ-HXUWFJFHSA-N 2 1 322.537 4.088 20 30 DIEDMP C=CCCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595059822 1050595331 /nfs/dbraw/zinc/59/53/31/1050595331.db2.gz PJLMYCRCDMSFCQ-HNNXBMFYSA-N 2 1 315.486 4.141 20 30 DIEDMP C=CCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085065 1050688317 /nfs/dbraw/zinc/68/83/17/1050688317.db2.gz FYUVUROGZQNXMW-QGZVFWFLSA-N 2 1 306.519 4.167 20 30 DIEDMP C=CCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085065 1050688322 /nfs/dbraw/zinc/68/83/22/1050688322.db2.gz FYUVUROGZQNXMW-QGZVFWFLSA-N 2 1 306.519 4.167 20 30 DIEDMP C=CCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085065 1050688326 /nfs/dbraw/zinc/68/83/26/1050688326.db2.gz FYUVUROGZQNXMW-QGZVFWFLSA-N 2 1 306.519 4.167 20 30 DIEDMP CCCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789359177 1050820835 /nfs/dbraw/zinc/82/08/35/1050820835.db2.gz XCFFAZMSZKXHMB-UHFFFAOYSA-N 2 1 303.494 4.369 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000773108267 1051064775 /nfs/dbraw/zinc/06/47/75/1051064775.db2.gz VFSPKDXFZNBZKW-COPCDDAFSA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000773117780 1051066909 /nfs/dbraw/zinc/06/69/09/1051066909.db2.gz WVMZKPATOVLGSS-OAQYLSRUSA-N 2 1 310.485 4.138 20 30 DIEDMP C=CC[NH+](CC=C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075535 1051278988 /nfs/dbraw/zinc/27/89/88/1051278988.db2.gz RNOJXJPLHNAHGV-AERCQKQUSA-N 2 1 310.485 4.246 20 30 DIEDMP C=CC[NH+](CC=C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075535 1051279000 /nfs/dbraw/zinc/27/90/00/1051279000.db2.gz RNOJXJPLHNAHGV-AERCQKQUSA-N 2 1 310.485 4.246 20 30 DIEDMP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657323 1051357504 /nfs/dbraw/zinc/35/75/04/1051357504.db2.gz SBLKKHMKGCUZAE-SIKLNZKXSA-N 2 1 320.480 4.343 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172349560 1051366601 /nfs/dbraw/zinc/36/66/01/1051366601.db2.gz FHOBRVIODVLOCT-VQTJNVASSA-N 2 1 324.553 4.216 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172349560 1051366610 /nfs/dbraw/zinc/36/66/10/1051366610.db2.gz FHOBRVIODVLOCT-VQTJNVASSA-N 2 1 324.553 4.216 20 30 DIEDMP CCCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172508169 1051425329 /nfs/dbraw/zinc/42/53/29/1051425329.db2.gz GTBXYXBLZZVSME-GOSISDBHSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCc1cc(C)c[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142280 1051532666 /nfs/dbraw/zinc/53/26/66/1051532666.db2.gz MGIKPOLWXWDPED-APWZRJJASA-N 2 1 301.478 4.074 20 30 DIEDMP CCCCCCCCC[C@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173285349 1051688707 /nfs/dbraw/zinc/68/87/07/1051688707.db2.gz SMQJCMMPEVMULE-MSOLQXFVSA-N 2 1 323.525 4.227 20 30 DIEDMP C=CCOC1CCC([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318934 1051711853 /nfs/dbraw/zinc/71/18/53/1051711853.db2.gz QQTYMGXCWGJHIJ-CAAWEGIDSA-N 2 1 322.537 4.261 20 30 DIEDMP C=C[C@H](CCCCC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218212070 1052208739 /nfs/dbraw/zinc/20/87/39/1052208739.db2.gz HRZALOJQFQQJRG-LJQANCHMSA-N 2 1 316.489 4.123 20 30 DIEDMP C=CC[C@@H](CCCC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218437551 1052238311 /nfs/dbraw/zinc/23/83/11/1052238311.db2.gz CMHVCSRPUOWYIS-IBGZPJMESA-N 2 1 316.489 4.123 20 30 DIEDMP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363734 1053007198 /nfs/dbraw/zinc/00/71/98/1053007198.db2.gz VVQIOXLRINRMSM-HUUCEWRRSA-N 2 1 308.432 4.339 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363734 1053007201 /nfs/dbraw/zinc/00/72/01/1053007201.db2.gz VVQIOXLRINRMSM-HUUCEWRRSA-N 2 1 308.432 4.339 20 30 DIEDMP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363740 1053007243 /nfs/dbraw/zinc/00/72/43/1053007243.db2.gz VVQIOXLRINRMSM-LSDHHAIUSA-N 2 1 308.432 4.339 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363740 1053007247 /nfs/dbraw/zinc/00/72/47/1053007247.db2.gz VVQIOXLRINRMSM-LSDHHAIUSA-N 2 1 308.432 4.339 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000618888458 1053390646 /nfs/dbraw/zinc/39/06/46/1053390646.db2.gz UIHVBWVWVPGQKD-MSOLQXFVSA-N 2 1 313.489 4.179 20 30 DIEDMP C=C(C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001200135440 1053408347 /nfs/dbraw/zinc/40/83/47/1053408347.db2.gz NQNPWUZXTOIASM-UHFFFAOYSA-N 2 1 322.496 4.448 20 30 DIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093844605 1053458204 /nfs/dbraw/zinc/45/82/04/1053458204.db2.gz HENJGCLPERBMGF-SFHVURJKSA-N 2 1 319.537 4.293 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)c2ccc(OC)cc2)CC1 ZINC000152952182 1053562112 /nfs/dbraw/zinc/56/21/12/1053562112.db2.gz PNKYRHMRJFFOTM-FQEVSTJZSA-N 2 1 316.489 4.167 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000153012222 1053569096 /nfs/dbraw/zinc/56/90/96/1053569096.db2.gz XDUAIVJYRDFJSA-WOJBJXKFSA-N 2 1 316.464 4.092 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146404 1053972628 /nfs/dbraw/zinc/97/26/28/1053972628.db2.gz PRFDNKDKARDLCX-UHFFFAOYSA-N 2 1 312.432 4.076 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235151644 1054667194 /nfs/dbraw/zinc/66/71/94/1054667194.db2.gz IVNDLFZKYASMDP-UYAOXDASSA-N 2 1 302.506 4.143 20 30 DIEDMP CCCCCCC[N@@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235663041 1054763250 /nfs/dbraw/zinc/76/32/50/1054763250.db2.gz PPMSAPOIZHZXMI-UHFFFAOYSA-N 2 1 313.489 4.147 20 30 DIEDMP CCCCCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235751020 1054797639 /nfs/dbraw/zinc/79/76/39/1054797639.db2.gz URJKQZZAOFISMA-LJQANCHMSA-N 2 1 318.505 4.207 20 30 DIEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001474595249 1054835650 /nfs/dbraw/zinc/83/56/50/1054835650.db2.gz IRZNJALJDPVOIS-TYPHKJRUSA-N 2 1 314.517 4.446 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556124 1055183328 /nfs/dbraw/zinc/18/33/28/1055183328.db2.gz RGZSYYTTWLDPQA-MXVIHJGJSA-N 2 1 300.490 4.423 20 30 DIEDMP CCCCCCC[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561189 1055183961 /nfs/dbraw/zinc/18/39/61/1055183961.db2.gz OBFDJAVONYQJGR-WGSAOQKQSA-N 2 1 303.494 4.124 20 30 DIEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000382018277 1055196927 /nfs/dbraw/zinc/19/69/27/1055196927.db2.gz WVHJTDDLYFSAER-QUCCMNQESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000382018278 1055197684 /nfs/dbraw/zinc/19/76/84/1055197684.db2.gz WVHJTDDLYFSAER-UYAOXDASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCC[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236727063 1055245394 /nfs/dbraw/zinc/24/53/94/1055245394.db2.gz QJSIVASNRVPODH-MXVIHJGJSA-N 2 1 300.490 4.423 20 30 DIEDMP CCCCCCCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359013 1055439562 /nfs/dbraw/zinc/43/95/62/1055439562.db2.gz LPNCWRGUXAIBKZ-UHFFFAOYSA-N 2 1 300.490 4.441 20 30 DIEDMP CCCCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001620699257 1055980875 /nfs/dbraw/zinc/98/08/75/1055980875.db2.gz JSZCXOMGUBCYQI-UHFFFAOYSA-N 2 1 320.496 4.393 20 30 DIEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256433 1057587344 /nfs/dbraw/zinc/58/73/44/1057587344.db2.gz PTBBFBRHNJAUDW-KRWDZBQOSA-N 2 1 321.468 4.203 20 30 DIEDMP C=CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246488103 1058966584 /nfs/dbraw/zinc/96/65/84/1058966584.db2.gz HPHWBDCIZFBFFJ-PWRODBHTSA-N 2 1 306.453 4.387 20 30 DIEDMP C=CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC001246488099 1058968191 /nfs/dbraw/zinc/96/81/91/1058968191.db2.gz HPHWBDCIZFBFFJ-HBMCJLEFSA-N 2 1 306.453 4.387 20 30 DIEDMP CCCCCCCCCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542854 1058993149 /nfs/dbraw/zinc/99/31/49/1058993149.db2.gz LSYJESMSZPNIGY-OALUTQOASA-N 2 1 312.542 4.081 20 30 DIEDMP CC(C)[C@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769151 1059073654 /nfs/dbraw/zinc/07/36/54/1059073654.db2.gz IMKDGJWBGYIOAR-RBUKOAKNSA-N 2 1 305.510 4.092 20 30 DIEDMP CC(C)[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769151 1059073672 /nfs/dbraw/zinc/07/36/72/1059073672.db2.gz IMKDGJWBGYIOAR-RBUKOAKNSA-N 2 1 305.510 4.092 20 30 DIEDMP CCCCCCC[C@@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246837213 1059115010 /nfs/dbraw/zinc/11/50/10/1059115010.db2.gz RKBJAJVUQRFIIF-GOSISDBHSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955642 1059199850 /nfs/dbraw/zinc/19/98/50/1059199850.db2.gz MPWSOKHZXBFALV-MRXNPFEDSA-N 2 1 304.453 4.043 20 30 DIEDMP CCCCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473760172 1061395971 /nfs/dbraw/zinc/39/59/71/1061395971.db2.gz YBILSIZQRHKSNS-GOSISDBHSA-N 2 1 303.494 4.343 20 30 DIEDMP CCCCCCCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252133200 1061591936 /nfs/dbraw/zinc/59/19/36/1061591936.db2.gz NBNQNEMIIVMIDB-IBGZPJMESA-N 2 1 324.553 4.048 20 30 DIEDMP CCCCCCCCCCCC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253565231 1061930794 /nfs/dbraw/zinc/93/07/94/1061930794.db2.gz KPXRWFYAADAOEQ-GOSISDBHSA-N 2 1 323.525 4.214 20 30 DIEDMP CCCC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321712 1062399335 /nfs/dbraw/zinc/39/93/35/1062399335.db2.gz WDVTWSULXKXGLA-VDGAXYAQSA-N 2 1 313.489 4.209 20 30 DIEDMP C=CC[NH+]([C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560699 1062881449 /nfs/dbraw/zinc/88/14/49/1062881449.db2.gz SODYIGXSDYNBGN-MJGOQNOKSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[NH+]([C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560699 1062881463 /nfs/dbraw/zinc/88/14/63/1062881463.db2.gz SODYIGXSDYNBGN-MJGOQNOKSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@@H+]([C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560699 1062881487 /nfs/dbraw/zinc/88/14/87/1062881487.db2.gz SODYIGXSDYNBGN-MJGOQNOKSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@H+]([C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560699 1062881511 /nfs/dbraw/zinc/88/15/11/1062881511.db2.gz SODYIGXSDYNBGN-MJGOQNOKSA-N 2 1 300.490 4.326 20 30 DIEDMP N#CC1CCC([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256960074 1063061482 /nfs/dbraw/zinc/06/14/82/1063061482.db2.gz GNSFUODBDMXZSW-YAEFEIELSA-N 2 1 317.521 4.221 20 30 DIEDMP C=C1C[C@@H]2CC([N@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890571 1063427952 /nfs/dbraw/zinc/42/79/52/1063427952.db2.gz QAICSQYMLNQBEH-LETQBHDNSA-N 2 1 302.506 4.246 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723569 1063777527 /nfs/dbraw/zinc/77/75/27/1063777527.db2.gz YPELEJRYBDCKTI-SZMVWBNQSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001258728073 1063781815 /nfs/dbraw/zinc/78/18/15/1063781815.db2.gz MAHUWDKPZSTKEH-PKOBYXMFSA-N 2 1 316.489 4.311 20 30 DIEDMP N#Cc1ccccc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001279234130 1064337740 /nfs/dbraw/zinc/33/77/40/1064337740.db2.gz ZXJJHJQHCPRHHC-LEWJYISDSA-N 2 1 323.484 4.025 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001308247753 1065852448 /nfs/dbraw/zinc/85/24/48/1065852448.db2.gz YTIJOJHBCPZEBG-UHFFFAOYSA-N 2 1 312.501 4.159 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308488688 1066022671 /nfs/dbraw/zinc/02/26/71/1066022671.db2.gz PTEGLQHGXRMVBM-UKAVVXHISA-N 2 1 312.501 4.089 20 30 DIEDMP CC(C)(CCC#N)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000174243232 332850316 /nfs/dbraw/zinc/85/03/16/332850316.db2.gz SMYJLEYBOGHDES-UHFFFAOYSA-N 2 1 305.510 4.095 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000152979067 332332884 /nfs/dbraw/zinc/33/28/84/332332884.db2.gz RBUFTZNECFTZTI-XJKSGUPXSA-N 2 1 322.543 4.304 20 30 DIEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000178675553 333018519 /nfs/dbraw/zinc/01/85/19/333018519.db2.gz CGHNITOFXKNICF-NRFANRHFSA-N 2 1 312.501 4.028 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000183675030 337194163 /nfs/dbraw/zinc/19/41/63/337194163.db2.gz QTRMCGSZFZAHCO-HNNXBMFYSA-N 2 1 310.445 4.161 20 30 DIEDMP C=C(C)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000187759059 337268051 /nfs/dbraw/zinc/26/80/51/337268051.db2.gz RBYIDCBMHOBINA-SFHVURJKSA-N 2 1 319.399 4.157 20 30 DIEDMP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000439077931 338360472 /nfs/dbraw/zinc/36/04/72/338360472.db2.gz MPQPVOABKPASLX-GOSISDBHSA-N 2 1 313.420 4.154 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccccc2C)CC1 ZINC000449127427 338595627 /nfs/dbraw/zinc/59/56/27/338595627.db2.gz WPRBLIPVDGNBIO-UHFFFAOYSA-N 2 1 320.480 4.402 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000467854910 339247839 /nfs/dbraw/zinc/24/78/39/339247839.db2.gz WPWJBBCRLDNCAH-SFHVURJKSA-N 2 1 306.881 4.421 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000468366290 339260736 /nfs/dbraw/zinc/26/07/36/339260736.db2.gz FEKJXATYYGTAEB-TZIWHRDSSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482639134 339638495 /nfs/dbraw/zinc/63/84/95/339638495.db2.gz FYUBZFJNTOIXFH-HNNXBMFYSA-N 2 1 318.530 4.318 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482639140 339638497 /nfs/dbraw/zinc/63/84/97/339638497.db2.gz FYUBZFJNTOIXFH-OAHLLOKOSA-N 2 1 318.530 4.318 20 30 DIEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000602513356 1038031128 /nfs/dbraw/zinc/03/11/28/1038031128.db2.gz CBYNGDKLLZSMFT-ZWKOTPCHSA-N 2 1 313.489 4.090 20 30 DIEDMP C[C@H]1CC([NH2+]CC#CC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030748 1043703414 /nfs/dbraw/zinc/70/34/14/1043703414.db2.gz XBVWKUQZWNQIIS-ROUUACIJSA-N 2 1 312.501 4.067 20 30 DIEDMP C#CC1([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033532 1043752752 /nfs/dbraw/zinc/75/27/52/1043752752.db2.gz MBFSEVSGDOJUIT-OALUTQOASA-N 2 1 324.512 4.354 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935489 1044091123 /nfs/dbraw/zinc/09/11/23/1044091123.db2.gz PNBUBLMGCYWVJW-VQTJNVASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935488 1044092932 /nfs/dbraw/zinc/09/29/32/1044092932.db2.gz PNBUBLMGCYWVJW-UXHICEINSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288077 1044346481 /nfs/dbraw/zinc/34/64/81/1044346481.db2.gz QUARZUWJDDXTDG-WOJBJXKFSA-N 2 1 300.490 4.233 20 30 DIEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447541648 1045143657 /nfs/dbraw/zinc/14/36/57/1045143657.db2.gz NCMAFRXHSXSAHM-PXNSSMCTSA-N 2 1 313.489 4.111 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925136434 1045228755 /nfs/dbraw/zinc/22/87/55/1045228755.db2.gz OSTUPTGMXZOYAB-VYDXJSESSA-N 2 1 319.518 4.049 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925136434 1045228761 /nfs/dbraw/zinc/22/87/61/1045228761.db2.gz OSTUPTGMXZOYAB-VYDXJSESSA-N 2 1 319.518 4.049 20 30 DIEDMP C=C(C)C[NH+]1CCC(NCc2cc3cc(C)c(C)cc3o2)CC1 ZINC000530673760 1045710439 /nfs/dbraw/zinc/71/04/39/1045710439.db2.gz HLJQLIOYNPJNOX-UHFFFAOYSA-N 2 1 312.457 4.180 20 30 DIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130508 1046712537 /nfs/dbraw/zinc/71/25/37/1046712537.db2.gz JPSJUERFWROORY-DOTOQJQBSA-N 2 1 319.518 4.051 20 30 DIEDMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130508 1046712548 /nfs/dbraw/zinc/71/25/48/1046712548.db2.gz JPSJUERFWROORY-DOTOQJQBSA-N 2 1 319.518 4.051 20 30 DIEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344786 1046986929 /nfs/dbraw/zinc/98/69/29/1046986929.db2.gz ZGUSTQVNQPTFFQ-AABGKKOBSA-N 2 1 300.490 4.056 20 30 DIEDMP C=CCCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147680 1047660495 /nfs/dbraw/zinc/66/04/95/1047660495.db2.gz MXSDJOQBIRBWBS-AZUAARDMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538147680 1047660500 /nfs/dbraw/zinc/66/05/00/1047660500.db2.gz MXSDJOQBIRBWBS-AZUAARDMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538147680 1047660507 /nfs/dbraw/zinc/66/05/07/1047660507.db2.gz MXSDJOQBIRBWBS-AZUAARDMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479068835 1047833717 /nfs/dbraw/zinc/83/37/17/1047833717.db2.gz OXOTXTIOOZSXHP-IBGZPJMESA-N 2 1 322.443 4.292 20 30 DIEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775412837 1048786563 /nfs/dbraw/zinc/78/65/63/1048786563.db2.gz XXZLZBOMPNAIEE-OAHLLOKOSA-N 2 1 322.880 4.084 20 30 DIEDMP CCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001177127485 1048827529 /nfs/dbraw/zinc/82/75/29/1048827529.db2.gz CBZRVGDYLSSXSN-UHFFFAOYSA-N 2 1 302.506 4.254 20 30 DIEDMP C=CCCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205733968 1049546356 /nfs/dbraw/zinc/54/63/56/1049546356.db2.gz AITVGZVCVXABNH-INIZCTEOSA-N 2 1 302.453 4.209 20 30 DIEDMP C[NH+]1CCC(CC[N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001207485796 1049897575 /nfs/dbraw/zinc/89/75/75/1049897575.db2.gz YPJPVRGYTIYXHN-UHFFFAOYSA-N 2 1 305.510 4.047 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001208177842 1049982713 /nfs/dbraw/zinc/98/27/13/1049982713.db2.gz HNTXWYNCZAZOBM-LJQANCHMSA-N 2 1 302.506 4.239 20 30 DIEDMP C=CCCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209423672 1050057532 /nfs/dbraw/zinc/05/75/32/1050057532.db2.gz WMNSHHCQGYVCDG-UHFFFAOYSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CCCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209423672 1050057537 /nfs/dbraw/zinc/05/75/37/1050057537.db2.gz WMNSHHCQGYVCDG-UHFFFAOYSA-N 2 1 300.490 4.329 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348206890 1051006021 /nfs/dbraw/zinc/00/60/21/1051006021.db2.gz MRQQBCPUBFPEOH-OAHLLOKOSA-N 2 1 310.445 4.161 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000773108269 1051065361 /nfs/dbraw/zinc/06/53/61/1051065361.db2.gz VFSPKDXFZNBZKW-YUXAGFNASA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000773108268 1051065506 /nfs/dbraw/zinc/06/55/06/1051065506.db2.gz VFSPKDXFZNBZKW-NYVOZVTQSA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962864 1051246143 /nfs/dbraw/zinc/24/61/43/1051246143.db2.gz FJLQYNZWQRQXQO-LJQANCHMSA-N 2 1 312.501 4.211 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962864 1051246152 /nfs/dbraw/zinc/24/61/52/1051246152.db2.gz FJLQYNZWQRQXQO-LJQANCHMSA-N 2 1 312.501 4.211 20 30 DIEDMP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657324 1051356266 /nfs/dbraw/zinc/35/62/66/1051356266.db2.gz SBLKKHMKGCUZAE-UGKGYDQZSA-N 2 1 320.480 4.343 20 30 DIEDMP C=CCc1cc(C)c[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142281 1051533301 /nfs/dbraw/zinc/53/33/01/1051533301.db2.gz MGIKPOLWXWDPED-LPHOPBHVSA-N 2 1 301.478 4.074 20 30 DIEDMP CC[NH+](CC)C1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001173108538 1051610354 /nfs/dbraw/zinc/61/03/54/1051610354.db2.gz MKHNAVOBKVCGSN-UHFFFAOYSA-N 2 1 313.489 4.055 20 30 DIEDMP C=CCOC1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317951 1051711534 /nfs/dbraw/zinc/71/15/34/1051711534.db2.gz RLNZSLSPMYBSNA-CAAWEGIDSA-N 2 1 320.521 4.015 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363717 1053007124 /nfs/dbraw/zinc/00/71/24/1053007124.db2.gz VVQIOXLRINRMSM-CABCVRRESA-N 2 1 308.432 4.339 20 30 DIEDMP CCCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363717 1053007121 /nfs/dbraw/zinc/00/71/21/1053007121.db2.gz VVQIOXLRINRMSM-CABCVRRESA-N 2 1 308.432 4.339 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000618888464 1053390473 /nfs/dbraw/zinc/39/04/73/1053390473.db2.gz UIHVBWVWVPGQKD-QZTJIDSGSA-N 2 1 313.489 4.179 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235088676 1054653669 /nfs/dbraw/zinc/65/36/69/1054653669.db2.gz NVKGLKIDAFSXGO-QGZVFWFLSA-N 2 1 314.464 4.224 20 30 DIEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363661 1055075519 /nfs/dbraw/zinc/07/55/19/1055075519.db2.gz VPQRRKPGPVRTPS-HUUCEWRRSA-N 2 1 306.416 4.115 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363661 1055075534 /nfs/dbraw/zinc/07/55/34/1055075534.db2.gz VPQRRKPGPVRTPS-HUUCEWRRSA-N 2 1 306.416 4.115 20 30 DIEDMP C#Cc1ccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236566687 1055188024 /nfs/dbraw/zinc/18/80/24/1055188024.db2.gz AWBFKJWZCJRLLH-XUTJKUGGSA-N 2 1 310.485 4.073 20 30 DIEDMP C=CCCCCCC[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236671174 1055222170 /nfs/dbraw/zinc/22/21/70/1055222170.db2.gz DREFHCBMWOLZRR-KESTWPANSA-N 2 1 315.505 4.290 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713416 1055235530 /nfs/dbraw/zinc/23/55/30/1055235530.db2.gz BZPOFTXHOZVIEN-MXVIHJGJSA-N 2 1 300.490 4.423 20 30 DIEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240459459 1056521476 /nfs/dbraw/zinc/52/14/76/1056521476.db2.gz XQJNTQKFZNPCBA-QFIPXVFZSA-N 2 1 318.464 4.322 20 30 DIEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242678152 1057444648 /nfs/dbraw/zinc/44/46/48/1057444648.db2.gz ZFKPWQYBXFDEGZ-OAQYLSRUSA-N 2 1 304.437 4.280 20 30 DIEDMP C=CCCCCCC[C@@H](O)C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066744 1058659359 /nfs/dbraw/zinc/65/93/59/1058659359.db2.gz BHESZHOJLHFAQB-VAMGGRTRSA-N 2 1 324.553 4.102 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246037708 1058660241 /nfs/dbraw/zinc/66/02/41/1058660241.db2.gz XDJYFHBKSDMBPS-LJQANCHMSA-N 2 1 324.553 4.096 20 30 DIEDMP CCCCCCCCCCC[C@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246241457 1058764682 /nfs/dbraw/zinc/76/46/82/1058764682.db2.gz RWBMYALXMNYFFP-ROUUACIJSA-N 2 1 300.531 4.249 20 30 DIEDMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCCCCCS)CC[NH2+]1 ZINC001246461486 1058949562 /nfs/dbraw/zinc/94/95/62/1058949562.db2.gz BQWFTUNDGOTXFY-WMZOPIPTSA-N 2 1 324.509 4.007 20 30 DIEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815958 1059111838 /nfs/dbraw/zinc/11/18/38/1059111838.db2.gz FWSKFCLRQRDYRV-TZIWHRDSSA-N 2 1 322.496 4.064 20 30 DIEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815958 1059111848 /nfs/dbraw/zinc/11/18/48/1059111848.db2.gz FWSKFCLRQRDYRV-TZIWHRDSSA-N 2 1 322.496 4.064 20 30 DIEDMP C=CC[N@@H+]([C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922073 1059176858 /nfs/dbraw/zinc/17/68/58/1059176858.db2.gz UXRAVSUBOOUNQG-WMZOPIPTSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922073 1059176868 /nfs/dbraw/zinc/17/68/68/1059176868.db2.gz UXRAVSUBOOUNQG-WMZOPIPTSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246972319 1059217481 /nfs/dbraw/zinc/21/74/81/1059217481.db2.gz HKNRWQXPEIKCBO-IHPCNDPISA-N 2 1 300.490 4.422 20 30 DIEDMP CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246978651 1059223656 /nfs/dbraw/zinc/22/36/56/1059223656.db2.gz VHQFUZYYLZLFAM-PMACEKPBSA-N 2 1 323.569 4.013 20 30 DIEDMP C=C1C[C@@H]2CC([NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)C[C@H](C1)C2 ZINC001247001515 1059232649 /nfs/dbraw/zinc/23/26/49/1059232649.db2.gz KADMYUSBKYRWMA-UFRUDQCGSA-N 2 1 322.496 4.216 20 30 DIEDMP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560963650 1060831117 /nfs/dbraw/zinc/83/11/17/1060831117.db2.gz UEDGTEUWGQZRJS-AZUAARDMSA-N 2 1 314.517 4.479 20 30 DIEDMP C=CC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462560174 1061262265 /nfs/dbraw/zinc/26/22/65/1061262265.db2.gz AHMLNQKCYJWOIP-UYAOXDASSA-N 2 1 314.517 4.479 20 30 DIEDMP CCCCCCCCCCCC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253565236 1061931100 /nfs/dbraw/zinc/93/11/00/1061931100.db2.gz KPXRWFYAADAOEQ-SFHVURJKSA-N 2 1 323.525 4.214 20 30 DIEDMP CCCC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255319064 1062394224 /nfs/dbraw/zinc/39/42/24/1062394224.db2.gz FDCQAQKCSAPNKJ-NSISKUIASA-N 2 1 313.489 4.209 20 30 DIEDMP CCCC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255319067 1062395785 /nfs/dbraw/zinc/39/57/85/1062395785.db2.gz FDCQAQKCSAPNKJ-VDGAXYAQSA-N 2 1 313.489 4.209 20 30 DIEDMP C#CCCCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001460096613 1062634458 /nfs/dbraw/zinc/63/44/58/1062634458.db2.gz DCXVYKBSAJPJLX-JOCHJYFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C#CCCCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001460096613 1062634470 /nfs/dbraw/zinc/63/44/70/1062634470.db2.gz DCXVYKBSAJPJLX-JOCHJYFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C#CCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001460096613 1062634478 /nfs/dbraw/zinc/63/44/78/1062634478.db2.gz DCXVYKBSAJPJLX-JOCHJYFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C[C@H]1C[C@@H]([NH2+]CCCCCCS)CC[N@@H+]1Cc1ccccc1 ZINC001256538664 1062859081 /nfs/dbraw/zinc/85/90/81/1062859081.db2.gz UOYRYQNPKINLGE-HKUYNNGSSA-N 2 1 320.546 4.119 20 30 DIEDMP C[C@H]1C[C@@H]([NH2+]CCCCCCS)CC[N@H+]1Cc1ccccc1 ZINC001256538664 1062859107 /nfs/dbraw/zinc/85/91/07/1062859107.db2.gz UOYRYQNPKINLGE-HKUYNNGSSA-N 2 1 320.546 4.119 20 30 DIEDMP C=CC[NH+]([C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560700 1062885614 /nfs/dbraw/zinc/88/56/14/1062885614.db2.gz SODYIGXSDYNBGN-PKOBYXMFSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[NH+]([C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560700 1062885629 /nfs/dbraw/zinc/88/56/29/1062885629.db2.gz SODYIGXSDYNBGN-PKOBYXMFSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@@H+]([C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560700 1062885640 /nfs/dbraw/zinc/88/56/40/1062885640.db2.gz SODYIGXSDYNBGN-PKOBYXMFSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@H+]([C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560700 1062885651 /nfs/dbraw/zinc/88/56/51/1062885651.db2.gz SODYIGXSDYNBGN-PKOBYXMFSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561577 1062885706 /nfs/dbraw/zinc/88/57/06/1062885706.db2.gz YUCPIHFYVIGMIR-AZUAARDMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561577 1062885730 /nfs/dbraw/zinc/88/57/30/1062885730.db2.gz YUCPIHFYVIGMIR-AZUAARDMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561577 1062885750 /nfs/dbraw/zinc/88/57/50/1062885750.db2.gz YUCPIHFYVIGMIR-AZUAARDMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256561577 1062885773 /nfs/dbraw/zinc/88/57/73/1062885773.db2.gz YUCPIHFYVIGMIR-AZUAARDMSA-N 2 1 300.490 4.328 20 30 DIEDMP CCC[C@@H](CC)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253859 1063160066 /nfs/dbraw/zinc/16/00/66/1063160066.db2.gz WVQKDCXXILFZCM-VAMGGRTRSA-N 2 1 313.489 4.209 20 30 DIEDMP CCC[C@H](CC)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253857 1063160263 /nfs/dbraw/zinc/16/02/63/1063160263.db2.gz WVQKDCXXILFZCM-UFYCRDLUSA-N 2 1 313.489 4.209 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461120738 1063271732 /nfs/dbraw/zinc/27/17/32/1063271732.db2.gz LZMVJWYKRLTWPI-NRSPTQNISA-N 2 1 312.501 4.233 20 30 DIEDMP CC[N@H+](CCC[NH2+]Cc1ccc(C#N)c(C)c1)C1CCCCC1 ZINC001461614680 1063613372 /nfs/dbraw/zinc/61/33/72/1063613372.db2.gz DWEMBNWIKWBYBK-UHFFFAOYSA-N 2 1 313.489 4.001 20 30 DIEDMP CC[N@@H+](CCC[NH2+]Cc1ccc(C#N)c(C)c1)C1CCCCC1 ZINC001461614680 1063613377 /nfs/dbraw/zinc/61/33/77/1063613377.db2.gz DWEMBNWIKWBYBK-UHFFFAOYSA-N 2 1 313.489 4.001 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724033 1063779954 /nfs/dbraw/zinc/77/99/54/1063779954.db2.gz LOKSKFDCZDNCGE-ATZDWAIDSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736728 1063784579 /nfs/dbraw/zinc/78/45/79/1063784579.db2.gz ZMRMAZWXCGYCDB-SESVDKBCSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736728 1063784586 /nfs/dbraw/zinc/78/45/86/1063784586.db2.gz ZMRMAZWXCGYCDB-SESVDKBCSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736728 1063784591 /nfs/dbraw/zinc/78/45/91/1063784591.db2.gz ZMRMAZWXCGYCDB-SESVDKBCSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736729 1063785137 /nfs/dbraw/zinc/78/51/37/1063785137.db2.gz ZMRMAZWXCGYCDB-TYPHKJRUSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736729 1063785144 /nfs/dbraw/zinc/78/51/44/1063785144.db2.gz ZMRMAZWXCGYCDB-TYPHKJRUSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736729 1063785156 /nfs/dbraw/zinc/78/51/56/1063785156.db2.gz ZMRMAZWXCGYCDB-TYPHKJRUSA-N 2 1 312.501 4.185 20 30 DIEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001308422420 1065977756 /nfs/dbraw/zinc/97/77/56/1065977756.db2.gz JQCNURQHVXRQCL-UHFFFAOYSA-N 2 1 320.480 4.015 20 30 DIEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001308422420 1065977767 /nfs/dbraw/zinc/97/77/67/1065977767.db2.gz JQCNURQHVXRQCL-UHFFFAOYSA-N 2 1 320.480 4.015 20 30 DIEDMP C#CCCCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308644885 1066135668 /nfs/dbraw/zinc/13/56/68/1066135668.db2.gz XDNNPBBXFIGANI-TZIWHRDSSA-N 2 1 312.501 4.070 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187823863 333150200 /nfs/dbraw/zinc/15/02/00/333150200.db2.gz CIHUVBKVWALINA-OAHLLOKOSA-N 2 1 306.881 4.074 20 30 DIEDMP C=CC[N@@H+](Cc1cccs1)Cc1cc(-n2ccnc2)cs1 ZINC000346135153 335379917 /nfs/dbraw/zinc/37/99/17/335379917.db2.gz GWHMMELGZCSWEC-UHFFFAOYSA-N 2 1 315.467 4.184 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000532514505 336253195 /nfs/dbraw/zinc/25/31/95/336253195.db2.gz AFEPDZIVHYTARP-SFTDATJTSA-N 2 1 312.501 4.343 20 30 DIEDMP C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000368030988 336835981 /nfs/dbraw/zinc/83/59/81/336835981.db2.gz RESXMZWESJCCTP-INIZCTEOSA-N 2 1 315.420 4.013 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436244877 338263193 /nfs/dbraw/zinc/26/31/93/338263193.db2.gz SEMVMRSOTRNUJN-TZIWHRDSSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438197685 338336174 /nfs/dbraw/zinc/33/61/74/338336174.db2.gz DGJCBRHGWOXSMW-SFTDATJTSA-N 2 1 312.501 4.127 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510714925 340307709 /nfs/dbraw/zinc/30/77/09/340307709.db2.gz HNWPJEIOCSCXHR-UHFFFAOYSA-N 2 1 318.892 4.216 20 30 DIEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000517306101 340467686 /nfs/dbraw/zinc/46/76/86/340467686.db2.gz DSOXXJMTTDJBHU-UHFFFAOYSA-N 2 1 315.848 4.341 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132233493 341119121 /nfs/dbraw/zinc/11/91/21/341119121.db2.gz JTGPSVZCWFXXSE-UHFFFAOYSA-N 2 1 300.471 4.031 20 30 DIEDMP C=CC[C@@H](CC)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551305357 341337881 /nfs/dbraw/zinc/33/78/81/341337881.db2.gz WQIBOHOAUPZDCC-XEVCZEQESA-N 2 1 300.490 4.374 20 30 DIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181609303 519630005 /nfs/dbraw/zinc/63/00/05/519630005.db2.gz JSJMEGMGWUQIFI-KRWDZBQOSA-N 2 1 321.468 4.249 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208685 1036062657 /nfs/dbraw/zinc/06/26/57/1036062657.db2.gz XTOVOMKKLVRUPM-RTWAWAEBSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208685 1036062678 /nfs/dbraw/zinc/06/26/78/1036062678.db2.gz XTOVOMKKLVRUPM-RTWAWAEBSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208685 1036062694 /nfs/dbraw/zinc/06/26/94/1036062694.db2.gz XTOVOMKKLVRUPM-RTWAWAEBSA-N 2 1 312.501 4.187 20 30 DIEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000602515230 1038026264 /nfs/dbraw/zinc/02/62/64/1038026264.db2.gz OVEWKLDAMVNJDB-ZWKOTPCHSA-N 2 1 313.489 4.090 20 30 DIEDMP C=C(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205206 1040111421 /nfs/dbraw/zinc/11/14/21/1040111421.db2.gz CPXMTWMJWBHYII-DENIHFKCSA-N 2 1 320.480 4.200 20 30 DIEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnc2ccccc21 ZINC000747630561 1041439967 /nfs/dbraw/zinc/43/99/67/1041439967.db2.gz WESYDRJQMCIXEW-UHFFFAOYSA-N 2 1 320.440 4.028 20 30 DIEDMP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998017 1041747869 /nfs/dbraw/zinc/74/78/69/1041747869.db2.gz UJXJUUJYMDHMGL-UGKGYDQZSA-N 2 1 320.480 4.200 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000651718890 1041893398 /nfs/dbraw/zinc/89/33/98/1041893398.db2.gz CDTGMQFIAITAHJ-DFEOGRTESA-N 2 1 318.530 4.465 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000651718890 1041893405 /nfs/dbraw/zinc/89/34/05/1041893405.db2.gz CDTGMQFIAITAHJ-DFEOGRTESA-N 2 1 318.530 4.465 20 30 DIEDMP C#CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001167824736 1042212139 /nfs/dbraw/zinc/21/21/39/1042212139.db2.gz GBUARFOCPMAJRS-GHTZIAJQSA-N 2 1 312.501 4.120 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421837053 1042656094 /nfs/dbraw/zinc/65/60/94/1042656094.db2.gz RXLQXBGYGPKAMN-CQSZACIVSA-N 2 1 324.871 4.040 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995766 1043075983 /nfs/dbraw/zinc/07/59/83/1043075983.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 2 1 324.512 4.470 20 30 DIEDMP C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935490 1044091534 /nfs/dbraw/zinc/09/15/34/1044091534.db2.gz PNBUBLMGCYWVJW-WOJBJXKFSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564718450 1044400623 /nfs/dbraw/zinc/40/06/23/1044400623.db2.gz JHHAXDBCNIPLLE-HKUYNNGSSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000449144866 1045352458 /nfs/dbraw/zinc/35/24/58/1045352458.db2.gz VAGKEWMCHRJTJR-MRXNPFEDSA-N 2 1 301.478 4.083 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000449161795 1045355889 /nfs/dbraw/zinc/35/58/89/1045355889.db2.gz GXOZWCLGOMVZDX-KRWDZBQOSA-N 2 1 301.478 4.083 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-n1cc[nH+]c1C ZINC001140025961 1046571573 /nfs/dbraw/zinc/57/15/73/1046571573.db2.gz HCRQBXLPWAOSAK-UHFFFAOYSA-N 2 1 317.436 4.369 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cc[nH+]c1C ZINC001140025961 1046571590 /nfs/dbraw/zinc/57/15/90/1046571590.db2.gz HCRQBXLPWAOSAK-UHFFFAOYSA-N 2 1 317.436 4.369 20 30 DIEDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407273 1047181239 /nfs/dbraw/zinc/18/12/39/1047181239.db2.gz ODSDPZZBOVPISQ-OAHLLOKOSA-N 2 1 317.452 4.003 20 30 DIEDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407273 1047181245 /nfs/dbraw/zinc/18/12/45/1047181245.db2.gz ODSDPZZBOVPISQ-OAHLLOKOSA-N 2 1 317.452 4.003 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555592111 1048396667 /nfs/dbraw/zinc/39/66/67/1048396667.db2.gz MGRMLBLLSGNWCB-HKUYNNGSSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555592111 1048396676 /nfs/dbraw/zinc/39/66/76/1048396676.db2.gz MGRMLBLLSGNWCB-HKUYNNGSSA-N 2 1 300.490 4.231 20 30 DIEDMP CCCCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281409 1048617184 /nfs/dbraw/zinc/61/71/84/1048617184.db2.gz NGJCSUMZTAEWKH-SFHVURJKSA-N 2 1 303.494 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482631729 1048651142 /nfs/dbraw/zinc/65/11/42/1048651142.db2.gz OQQZKMDKKFFANP-KRWDZBQOSA-N 2 1 312.501 4.257 20 30 DIEDMP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806839 1049941696 /nfs/dbraw/zinc/94/16/96/1049941696.db2.gz YVKAFTDVPKYVIC-MJGOQNOKSA-N 2 1 315.505 4.378 20 30 DIEDMP CC[NH+](CC)CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806838 1049941869 /nfs/dbraw/zinc/94/18/69/1049941869.db2.gz YVKAFTDVPKYVIC-IEBWSBKVSA-N 2 1 315.505 4.378 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209428285 1050057183 /nfs/dbraw/zinc/05/71/83/1050057183.db2.gz DLYAGTSFVWYNPY-UHFFFAOYSA-N 2 1 312.501 4.256 20 30 DIEDMP CCCCCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555752 1050541555 /nfs/dbraw/zinc/54/15/55/1050541555.db2.gz HQSLYGHKYOTHQT-CVEARBPZSA-N 2 1 304.469 4.432 20 30 DIEDMP C=CCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085064 1050687751 /nfs/dbraw/zinc/68/77/51/1050687751.db2.gz FYUVUROGZQNXMW-KRWDZBQOSA-N 2 1 306.519 4.167 20 30 DIEDMP C=CCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085064 1050687759 /nfs/dbraw/zinc/68/77/59/1050687759.db2.gz FYUVUROGZQNXMW-KRWDZBQOSA-N 2 1 306.519 4.167 20 30 DIEDMP C=CCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085064 1050687768 /nfs/dbraw/zinc/68/77/68/1050687768.db2.gz FYUVUROGZQNXMW-KRWDZBQOSA-N 2 1 306.519 4.167 20 30 DIEDMP CCCCCCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554627 1051165022 /nfs/dbraw/zinc/16/50/22/1051165022.db2.gz LAHRWQYHKQYYTA-UHFFFAOYSA-N 2 1 303.494 4.344 20 30 DIEDMP C=C(C)C[N@@H+](CC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271906 /nfs/dbraw/zinc/27/19/06/1051271906.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271918 /nfs/dbraw/zinc/27/19/18/1051271918.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[NH+](CC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271927 /nfs/dbraw/zinc/27/19/27/1051271927.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[NH+](CC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271935 /nfs/dbraw/zinc/27/19/35/1051271935.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076686 1051276760 /nfs/dbraw/zinc/27/67/60/1051276760.db2.gz KZLFSGFPPNPESP-WKCHPHFGSA-N 2 1 324.512 4.211 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076686 1051276773 /nfs/dbraw/zinc/27/67/73/1051276773.db2.gz KZLFSGFPPNPESP-WKCHPHFGSA-N 2 1 324.512 4.211 20 30 DIEDMP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657321 1051356582 /nfs/dbraw/zinc/35/65/82/1051356582.db2.gz SBLKKHMKGCUZAE-DENIHFKCSA-N 2 1 320.480 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177917547 1051554376 /nfs/dbraw/zinc/55/43/76/1051554376.db2.gz OHPVQFUSHMRGBI-KRWDZBQOSA-N 2 1 316.489 4.167 20 30 DIEDMP CC1(C#N)CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591217 1051755831 /nfs/dbraw/zinc/75/58/31/1051755831.db2.gz MBPYFDJVCSWRPU-RTWGARKQSA-N 2 1 317.521 4.221 20 30 DIEDMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)C1CCC(C)(C#N)CC1 ZINC001173596847 1051757052 /nfs/dbraw/zinc/75/70/52/1051757052.db2.gz FUVNMVVFZPVWIX-UHFFFAOYSA-N 2 1 317.521 4.188 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433674 1052346044 /nfs/dbraw/zinc/34/60/44/1052346044.db2.gz PEVWTZYATOHJOV-PNYFIKQUSA-N 2 1 300.490 4.087 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236143378 1052840157 /nfs/dbraw/zinc/84/01/57/1052840157.db2.gz VJSXXEVNHJFDJZ-UHFFFAOYSA-N 2 1 306.494 4.207 20 30 DIEDMP CCCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363726 1053006830 /nfs/dbraw/zinc/00/68/30/1053006830.db2.gz VVQIOXLRINRMSM-GJZGRUSLSA-N 2 1 308.432 4.339 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363726 1053006833 /nfs/dbraw/zinc/00/68/33/1053006833.db2.gz VVQIOXLRINRMSM-GJZGRUSLSA-N 2 1 308.432 4.339 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405892 1053402836 /nfs/dbraw/zinc/40/28/36/1053402836.db2.gz WGDMULFZFNXYEQ-LJQANCHMSA-N 2 1 316.489 4.085 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429450 1054718738 /nfs/dbraw/zinc/71/87/38/1054718738.db2.gz YAGMCJOROIBSMN-AABGKKOBSA-N 2 1 302.506 4.001 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236067680 1054924916 /nfs/dbraw/zinc/92/49/16/1054924916.db2.gz STGBZDAAEFGJOG-IBGZPJMESA-N 2 1 318.505 4.077 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236067680 1054924928 /nfs/dbraw/zinc/92/49/28/1054924928.db2.gz STGBZDAAEFGJOG-IBGZPJMESA-N 2 1 318.505 4.077 20 30 DIEDMP C[C@H](c1ccccc1)[N@@H+](CCCCC[NH3+])Cc1cccc(C#N)c1 ZINC001236147131 1054968234 /nfs/dbraw/zinc/96/82/34/1054968234.db2.gz PFHRMQRUNQCSCP-GOSISDBHSA-N 2 1 321.468 4.250 20 30 DIEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236362382 1055072269 /nfs/dbraw/zinc/07/22/69/1055072269.db2.gz ZCUVWMTYEHFPAB-JOCHJYFZSA-N 2 1 318.464 4.322 20 30 DIEDMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001620742719 1055990368 /nfs/dbraw/zinc/99/03/68/1055990368.db2.gz UKPDBZHBWVKTIM-DOTOQJQBSA-N 2 1 313.420 4.154 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001620742722 1055991233 /nfs/dbraw/zinc/99/12/33/1055991233.db2.gz UKPDBZHBWVKTIM-WBVHZDCISA-N 2 1 313.420 4.154 20 30 DIEDMP C=CCCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743313 1056620437 /nfs/dbraw/zinc/62/04/37/1056620437.db2.gz WSPRGEJHNJEUQQ-ICSRJNTNSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639097 1057490669 /nfs/dbraw/zinc/49/06/69/1057490669.db2.gz FWZVTPVWCFIYFZ-TZIWHRDSSA-N 2 1 312.501 4.233 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(C[NH2+]C)c2)cc1 ZINC001242999726 1057540962 /nfs/dbraw/zinc/54/09/62/1057540962.db2.gz UQEWBYLMWQMDIM-NRFANRHFSA-N 2 1 306.453 4.396 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063564 1058658650 /nfs/dbraw/zinc/65/86/50/1058658650.db2.gz KTPXXDNJSTXQJR-GUDVDZBRSA-N 2 1 312.542 4.080 20 30 DIEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561295 1059004199 /nfs/dbraw/zinc/00/41/99/1059004199.db2.gz WCXBUPIAVLFFPU-HZPDHXFCSA-N 2 1 304.469 4.432 20 30 DIEDMP CC(C)[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769148 1059070973 /nfs/dbraw/zinc/07/09/73/1059070973.db2.gz IMKDGJWBGYIOAR-OALUTQOASA-N 2 1 305.510 4.092 20 30 DIEDMP CC(C)[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769148 1059070994 /nfs/dbraw/zinc/07/09/94/1059070994.db2.gz IMKDGJWBGYIOAR-OALUTQOASA-N 2 1 305.510 4.092 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785347 1059083360 /nfs/dbraw/zinc/08/33/60/1059083360.db2.gz AFXBDJBKOPRPSF-OALUTQOASA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951610 1059193909 /nfs/dbraw/zinc/19/39/09/1059193909.db2.gz MTSDOCCPVZUMAZ-INIZCTEOSA-N 2 1 304.453 4.043 20 30 DIEDMP C=CCC[C@H](C)[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952379 1059195399 /nfs/dbraw/zinc/19/53/99/1059195399.db2.gz LIZUQVMMXUKCRV-HNNXBMFYSA-N 2 1 306.881 4.249 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952379 1059195413 /nfs/dbraw/zinc/19/54/13/1059195413.db2.gz LIZUQVMMXUKCRV-HNNXBMFYSA-N 2 1 306.881 4.249 20 30 DIEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246978655 1059220850 /nfs/dbraw/zinc/22/08/50/1059220850.db2.gz VHQFUZYYLZLFAM-UXHICEINSA-N 2 1 323.569 4.013 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069678 1059880682 /nfs/dbraw/zinc/88/06/82/1059880682.db2.gz YICPEEWNFKQAIE-FQEVSTJZSA-N 2 1 304.522 4.157 20 30 DIEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001473922980 1061473108 /nfs/dbraw/zinc/47/31/08/1061473108.db2.gz RGSHEXOPWYBKBN-FPOVZHCZSA-N 2 1 312.501 4.028 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252982344 1061772810 /nfs/dbraw/zinc/77/28/10/1061772810.db2.gz CACDZZTUFITLTQ-FQEVSTJZSA-N 2 1 324.553 4.048 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252985286 1061774830 /nfs/dbraw/zinc/77/48/30/1061774830.db2.gz CZHBAAIPIMTGMO-FQEVSTJZSA-N 2 1 324.553 4.095 20 30 DIEDMP C#CCCCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176777 /nfs/dbraw/zinc/17/67/77/1062176777.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176787 /nfs/dbraw/zinc/17/67/87/1062176787.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176796 /nfs/dbraw/zinc/17/67/96/1062176796.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 2 1 304.522 4.157 20 30 DIEDMP C=C1C[C@@H]2CC([N@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890701 1063428367 /nfs/dbraw/zinc/42/83/67/1063428367.db2.gz WNSBCSUYJSWTNT-DPSFSNCASA-N 2 1 302.506 4.103 20 30 DIEDMP CCCCCCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258043132 1063474816 /nfs/dbraw/zinc/47/48/16/1063474816.db2.gz JSPFTSPZMPZNPT-GUDVDZBRSA-N 2 1 324.553 4.486 20 30 DIEDMP C=CCC[C@@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723669 1063777229 /nfs/dbraw/zinc/77/72/29/1063777229.db2.gz BSTAYDCVNZMYET-BHIYHBOVSA-N 2 1 316.489 4.122 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001258728072 1063780435 /nfs/dbraw/zinc/78/04/35/1063780435.db2.gz MAHUWDKPZSTKEH-MJGOQNOKSA-N 2 1 316.489 4.311 20 30 DIEDMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001258731637 1063781868 /nfs/dbraw/zinc/78/18/68/1063781868.db2.gz BLONKAWMQIRXMZ-LJQANCHMSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001258728890 1063782175 /nfs/dbraw/zinc/78/21/75/1063782175.db2.gz RCUXVDIYEFWECX-QGZVFWFLSA-N 2 1 318.530 4.391 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734022 1063783111 /nfs/dbraw/zinc/78/31/11/1063783111.db2.gz QELSSVIMBSDLNK-PZJWPPBQSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001258734022 1063783125 /nfs/dbraw/zinc/78/31/25/1063783125.db2.gz QELSSVIMBSDLNK-PZJWPPBQSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001258734022 1063783137 /nfs/dbraw/zinc/78/31/37/1063783137.db2.gz QELSSVIMBSDLNK-PZJWPPBQSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734021 1063783265 /nfs/dbraw/zinc/78/32/65/1063783265.db2.gz QELSSVIMBSDLNK-FPOVZHCZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001258734021 1063783278 /nfs/dbraw/zinc/78/32/78/1063783278.db2.gz QELSSVIMBSDLNK-FPOVZHCZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001258734021 1063783292 /nfs/dbraw/zinc/78/32/92/1063783292.db2.gz QELSSVIMBSDLNK-FPOVZHCZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001258733481 1063783892 /nfs/dbraw/zinc/78/38/92/1063783892.db2.gz GTLQZUXSGKOJRZ-MRXNPFEDSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001258733481 1063783907 /nfs/dbraw/zinc/78/39/07/1063783907.db2.gz GTLQZUXSGKOJRZ-MRXNPFEDSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308488690 1066022931 /nfs/dbraw/zinc/02/29/31/1066022931.db2.gz PTEGLQHGXRMVBM-YHELAOLJSA-N 2 1 312.501 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000531720293 333550866 /nfs/dbraw/zinc/55/08/66/333550866.db2.gz KDQIQGUHKKWLOR-MGPUTAFESA-N 2 1 316.464 4.079 20 30 DIEDMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710295 334100219 /nfs/dbraw/zinc/10/02/19/334100219.db2.gz LNJGRYOKPPZGIZ-OAQYLSRUSA-N 2 1 321.468 4.251 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000534564208 334286452 /nfs/dbraw/zinc/28/64/52/334286452.db2.gz IDJZXUQATZZEOO-UHFFFAOYSA-N 2 1 306.881 4.087 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000153011504 334895458 /nfs/dbraw/zinc/89/54/58/334895458.db2.gz DFAXQKHKTFADJM-KRWDZBQOSA-N 2 1 306.519 4.465 20 30 DIEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992288 338357870 /nfs/dbraw/zinc/35/78/70/338357870.db2.gz QJQISIWMDHDQBK-WMQCIHAUSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992288 338357871 /nfs/dbraw/zinc/35/78/71/338357871.db2.gz QJQISIWMDHDQBK-WMQCIHAUSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000439077934 338360492 /nfs/dbraw/zinc/36/04/92/338360492.db2.gz MPQPVOABKPASLX-SFHVURJKSA-N 2 1 313.420 4.154 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)CCc2ccccc2)CC1 ZINC000462051283 339071445 /nfs/dbraw/zinc/07/14/45/339071445.db2.gz SZKNETPLMIGCMB-FQEVSTJZSA-N 2 1 314.517 4.418 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482627538 339637969 /nfs/dbraw/zinc/63/79/69/339637969.db2.gz HVUGHSJEUBNPFN-NRFANRHFSA-N 2 1 314.517 4.192 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550855457 341324620 /nfs/dbraw/zinc/32/46/20/341324620.db2.gz JCVOMDDZGUBRGG-OWZKRDHZSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276450 341383380 /nfs/dbraw/zinc/38/33/80/341383380.db2.gz YIRPHFFFSBQMDQ-QZTJIDSGSA-N 2 1 304.478 4.245 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276450 341383381 /nfs/dbraw/zinc/38/33/81/341383381.db2.gz YIRPHFFFSBQMDQ-QZTJIDSGSA-N 2 1 304.478 4.245 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000153012541 341518529 /nfs/dbraw/zinc/51/85/29/341518529.db2.gz XDUAIVJYRDFJSA-PMACEKPBSA-N 2 1 316.464 4.092 20 30 DIEDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624769 1037041864 /nfs/dbraw/zinc/04/18/64/1037041864.db2.gz JUIGJVKVJKFPKH-ROUUACIJSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000245926602 1039402627 /nfs/dbraw/zinc/40/26/27/1039402627.db2.gz HZZLBGZNUITMKP-LNLFQRSKSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000245926602 1039402637 /nfs/dbraw/zinc/40/26/37/1039402637.db2.gz HZZLBGZNUITMKP-LNLFQRSKSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492329141 1039952196 /nfs/dbraw/zinc/95/21/96/1039952196.db2.gz LILUBLLKBSNGKO-NLWGTHIKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000651718893 1041892704 /nfs/dbraw/zinc/89/27/04/1041892704.db2.gz CDTGMQFIAITAHJ-VXNCWWDNSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000651718893 1041892713 /nfs/dbraw/zinc/89/27/13/1041892713.db2.gz CDTGMQFIAITAHJ-VXNCWWDNSA-N 2 1 318.530 4.465 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513511723 1042549510 /nfs/dbraw/zinc/54/95/10/1042549510.db2.gz KRTSOIYBXUMBDJ-VBKFSLOCSA-N 2 1 318.892 4.373 20 30 DIEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925079075 1042975102 /nfs/dbraw/zinc/97/51/02/1042975102.db2.gz DTQPLXAHBQYVIT-IRXDYDNUSA-N 2 1 313.489 4.130 20 30 DIEDMP C#CC1([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC001168033533 1043751039 /nfs/dbraw/zinc/75/10/39/1043751039.db2.gz MBFSEVSGDOJUIT-RTBURBONSA-N 2 1 324.512 4.354 20 30 DIEDMP CC(C)(C#N)CCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951761 1044000927 /nfs/dbraw/zinc/00/09/27/1044000927.db2.gz QDQOXDKRRFMHBY-UHFFFAOYSA-N 2 1 305.510 4.047 20 30 DIEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288073 1044347143 /nfs/dbraw/zinc/34/71/43/1044347143.db2.gz QUARZUWJDDXTDG-PMACEKPBSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288076 1044347460 /nfs/dbraw/zinc/34/74/60/1044347460.db2.gz QUARZUWJDDXTDG-VQTJNVASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000538394286 1047674348 /nfs/dbraw/zinc/67/43/48/1047674348.db2.gz VBPHPPHWKNDDCC-GOSISDBHSA-N 2 1 314.517 4.373 20 30 DIEDMP C=CCC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984527 1048080134 /nfs/dbraw/zinc/08/01/34/1048080134.db2.gz RJFXGUQATZFYAM-FQEVSTJZSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001200942363 1048167616 /nfs/dbraw/zinc/16/76/16/1048167616.db2.gz OULCICDDXKPJCX-NSHGMRRFSA-N 2 1 300.490 4.231 20 30 DIEDMP CCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377419 /nfs/dbraw/zinc/37/74/19/1048377419.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377432 /nfs/dbraw/zinc/37/74/32/1048377432.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377447 /nfs/dbraw/zinc/37/74/47/1048377447.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377462 /nfs/dbraw/zinc/37/74/62/1048377462.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 2 1 320.525 4.070 20 30 DIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483959053 1048886727 /nfs/dbraw/zinc/88/67/27/1048886727.db2.gz QOORKCKKOZFMEC-FQEVSTJZSA-N 2 1 324.512 4.015 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001177669380 1048926894 /nfs/dbraw/zinc/92/68/94/1048926894.db2.gz XDFPOJJORRSVLI-YZGWKJHDSA-N 2 1 304.522 4.366 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001177683366 1048927522 /nfs/dbraw/zinc/92/75/22/1048927522.db2.gz CCAJPVVTXVENBX-SREVYHEPSA-N 2 1 312.501 4.255 20 30 DIEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001203573193 1048932834 /nfs/dbraw/zinc/93/28/34/1048932834.db2.gz WTTNJNIFCVVKSL-UHFFFAOYSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214693 /nfs/dbraw/zinc/21/46/93/1049214693.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CCC[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214711 /nfs/dbraw/zinc/21/47/11/1049214711.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CCC[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214724 /nfs/dbraw/zinc/21/47/24/1049214724.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001208166536 1049979904 /nfs/dbraw/zinc/97/99/04/1049979904.db2.gz BIWPDFCKHZVBGU-LJQANCHMSA-N 2 1 302.506 4.239 20 30 DIEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161178 1050040440 /nfs/dbraw/zinc/04/04/40/1050040440.db2.gz INTYTAKJLUFOSX-QXAKKESOSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161178 1050040444 /nfs/dbraw/zinc/04/04/44/1050040444.db2.gz INTYTAKJLUFOSX-QXAKKESOSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161178 1050040448 /nfs/dbraw/zinc/04/04/48/1050040448.db2.gz INTYTAKJLUFOSX-QXAKKESOSA-N 2 1 318.530 4.247 20 30 DIEDMP CC[N@@H+](CCC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000593661315 1050432014 /nfs/dbraw/zinc/43/20/14/1050432014.db2.gz XVEFRCDOJMOTNX-UHFFFAOYSA-N 2 1 305.510 4.093 20 30 DIEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635568 1050772271 /nfs/dbraw/zinc/77/22/71/1050772271.db2.gz CQBDZAKPUGAXJT-HZPDHXFCSA-N 2 1 302.453 4.056 20 30 DIEDMP C#CC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979636 1051267775 /nfs/dbraw/zinc/26/77/75/1051267775.db2.gz POBPXBMPANEFQG-HXUWFJFHSA-N 2 1 324.512 4.355 20 30 DIEDMP C#CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979636 1051267785 /nfs/dbraw/zinc/26/77/85/1051267785.db2.gz POBPXBMPANEFQG-HXUWFJFHSA-N 2 1 324.512 4.355 20 30 DIEDMP C=CCCCCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000793542516 1051315265 /nfs/dbraw/zinc/31/52/65/1051315265.db2.gz UVBJPWSNOFHWPR-IBGZPJMESA-N 2 1 322.537 4.136 20 30 DIEDMP Cc1ccccc1C[N@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491652 1051418660 /nfs/dbraw/zinc/41/86/60/1051418660.db2.gz IANPUHWTTGOVLO-MISYRCLQSA-N 2 1 313.489 4.149 20 30 DIEDMP CCCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172508170 1051425356 /nfs/dbraw/zinc/42/53/56/1051425356.db2.gz GTBXYXBLZZVSME-SFHVURJKSA-N 2 1 312.542 4.216 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177917533 1051555230 /nfs/dbraw/zinc/55/52/30/1051555230.db2.gz OHPVQFUSHMRGBI-QGZVFWFLSA-N 2 1 316.489 4.167 20 30 DIEDMP CC(C)(C)C[N@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173333451 1051696676 /nfs/dbraw/zinc/69/66/76/1051696676.db2.gz LQTHPTGXVJAHJG-QXINMDOSSA-N 2 1 305.510 4.077 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433673 1052345838 /nfs/dbraw/zinc/34/58/38/1052345838.db2.gz PEVWTZYATOHJOV-JPLJXNOCSA-N 2 1 300.490 4.087 20 30 DIEDMP C=CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCCCC1 ZINC001232151916 1053971974 /nfs/dbraw/zinc/97/19/74/1053971974.db2.gz RULXZAWRTFRFGD-UHFFFAOYSA-N 2 1 304.453 4.208 20 30 DIEDMP C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001334049764 1054180826 /nfs/dbraw/zinc/18/08/26/1054180826.db2.gz SQDGEJFHMKMSKI-ZWKOTPCHSA-N 2 1 317.521 4.093 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235151643 1054667415 /nfs/dbraw/zinc/66/74/15/1054667415.db2.gz IVNDLFZKYASMDP-QUCCMNQESA-N 2 1 302.506 4.143 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235841283 1054820391 /nfs/dbraw/zinc/82/03/91/1054820391.db2.gz CWNPMGBCPZUAMQ-LJQANCHMSA-N 2 1 318.505 4.077 20 30 DIEDMP C[C@@H](c1ccccc1)[N@@H+](CCCCC[NH3+])Cc1cccc(C#N)c1 ZINC001236147133 1054968271 /nfs/dbraw/zinc/96/82/71/1054968271.db2.gz PFHRMQRUNQCSCP-SFHVURJKSA-N 2 1 321.468 4.250 20 30 DIEDMP C=CCCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369034 1055077879 /nfs/dbraw/zinc/07/78/79/1055077879.db2.gz YAPJRRSWSLVOOP-UHFFFAOYSA-N 2 1 304.453 4.126 20 30 DIEDMP C=CCCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369034 1055077888 /nfs/dbraw/zinc/07/78/88/1055077888.db2.gz YAPJRRSWSLVOOP-UHFFFAOYSA-N 2 1 304.453 4.126 20 30 DIEDMP C=CCCCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499708 1055150750 /nfs/dbraw/zinc/15/07/50/1055150750.db2.gz QEOLCUUMGHEZNJ-UHFFFAOYSA-N 2 1 322.443 4.265 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236572573 1055192999 /nfs/dbraw/zinc/19/29/99/1055192999.db2.gz SPGYBSAVJQNEAQ-QWFCFKBJSA-N 2 1 302.506 4.413 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605851 1055203669 /nfs/dbraw/zinc/20/36/69/1055203669.db2.gz VSLHZOQQVJEEKF-HXUWFJFHSA-N 2 1 318.505 4.207 20 30 DIEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001278254129 1055694427 /nfs/dbraw/zinc/69/44/27/1055694427.db2.gz PXQLNMJNCGJTGJ-INIZCTEOSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001278254129 1055694433 /nfs/dbraw/zinc/69/44/33/1055694433.db2.gz PXQLNMJNCGJTGJ-INIZCTEOSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001278254129 1055694436 /nfs/dbraw/zinc/69/44/36/1055694436.db2.gz PXQLNMJNCGJTGJ-INIZCTEOSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001278254129 1055694438 /nfs/dbraw/zinc/69/44/38/1055694438.db2.gz PXQLNMJNCGJTGJ-INIZCTEOSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCCC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001278269777 1055727973 /nfs/dbraw/zinc/72/79/73/1055727973.db2.gz SBNNRTXESBZWQT-HXUWFJFHSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001241250857 1056980563 /nfs/dbraw/zinc/98/05/63/1056980563.db2.gz BTSSOZRPBIZABL-HXUWFJFHSA-N 2 1 321.468 4.446 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001241250857 1056980564 /nfs/dbraw/zinc/98/05/64/1056980564.db2.gz BTSSOZRPBIZABL-HXUWFJFHSA-N 2 1 321.468 4.446 20 30 DIEDMP C=CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000766020091 1057120746 /nfs/dbraw/zinc/12/07/46/1057120746.db2.gz MGSQLIAVWNLQRU-HXUWFJFHSA-N 2 1 313.489 4.086 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319299 1058830177 /nfs/dbraw/zinc/83/01/77/1058830177.db2.gz VRLKVMRVFAHMAB-FRQCXROJSA-N 2 1 316.489 4.069 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246339278 1058845727 /nfs/dbraw/zinc/84/57/27/1058845727.db2.gz CXGVBZCXOKZOAH-KKUMJFAQSA-N 2 1 308.432 4.256 20 30 DIEDMP CCCCCCCC[C@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561292 1059007471 /nfs/dbraw/zinc/00/74/71/1059007471.db2.gz WCXBUPIAVLFFPU-CVEARBPZSA-N 2 1 304.469 4.432 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785348 1059084880 /nfs/dbraw/zinc/08/48/80/1059084880.db2.gz AFXBDJBKOPRPSF-RBUKOAKNSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246797936 1059101380 /nfs/dbraw/zinc/10/13/80/1059101380.db2.gz WHINUSGJPPTEBN-UHFFFAOYSA-N 2 1 312.501 4.377 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839913 1059117985 /nfs/dbraw/zinc/11/79/85/1059117985.db2.gz LFYRYBHCYIMICS-YADHBBJMSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839913 1059117989 /nfs/dbraw/zinc/11/79/89/1059117989.db2.gz LFYRYBHCYIMICS-YADHBBJMSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839911 1059118747 /nfs/dbraw/zinc/11/87/47/1059118747.db2.gz LFYRYBHCYIMICS-FGZHOGPDSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839911 1059118754 /nfs/dbraw/zinc/11/87/54/1059118754.db2.gz LFYRYBHCYIMICS-FGZHOGPDSA-N 2 1 320.480 4.038 20 30 DIEDMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888031 1059156378 /nfs/dbraw/zinc/15/63/78/1059156378.db2.gz QIRSZTLCXJZBJE-MSOLQXFVSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CC[N@@H+]([C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922070 1059175907 /nfs/dbraw/zinc/17/59/07/1059175907.db2.gz UXRAVSUBOOUNQG-SJLPKXTDSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922070 1059175924 /nfs/dbraw/zinc/17/59/24/1059175924.db2.gz UXRAVSUBOOUNQG-SJLPKXTDSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CCC[C@@H](C)[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952380 1059196361 /nfs/dbraw/zinc/19/63/61/1059196361.db2.gz LIZUQVMMXUKCRV-OAHLLOKOSA-N 2 1 306.881 4.249 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952380 1059196373 /nfs/dbraw/zinc/19/63/73/1059196373.db2.gz LIZUQVMMXUKCRV-OAHLLOKOSA-N 2 1 306.881 4.249 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001559577222 1059412496 /nfs/dbraw/zinc/41/24/96/1059412496.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001559577222 1059412498 /nfs/dbraw/zinc/41/24/98/1059412498.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001559577222 1059412499 /nfs/dbraw/zinc/41/24/99/1059412499.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560963654 1060830968 /nfs/dbraw/zinc/83/09/68/1060830968.db2.gz UEDGTEUWGQZRJS-QUCCMNQESA-N 2 1 314.517 4.479 20 30 DIEDMP C=CCCCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718902 1061367770 /nfs/dbraw/zinc/36/77/70/1061367770.db2.gz RABIRHUAHOOOJR-OYRHEFFESA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718902 1061367795 /nfs/dbraw/zinc/36/77/95/1061367795.db2.gz RABIRHUAHOOOJR-OYRHEFFESA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718902 1061367815 /nfs/dbraw/zinc/36/78/15/1061367815.db2.gz RABIRHUAHOOOJR-OYRHEFFESA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718902 1061367830 /nfs/dbraw/zinc/36/78/30/1061367830.db2.gz RABIRHUAHOOOJR-OYRHEFFESA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148640 1062341173 /nfs/dbraw/zinc/34/11/73/1062341173.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148640 1062341194 /nfs/dbraw/zinc/34/11/94/1062341194.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148640 1062341205 /nfs/dbraw/zinc/34/12/05/1062341205.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C[C@@H]1C[C@H]([NH2+]CCCCCCS)CC[N@@H+]1Cc1ccccc1 ZINC001256538987 1062864573 /nfs/dbraw/zinc/86/45/73/1062864573.db2.gz UOYRYQNPKINLGE-IEBWSBKVSA-N 2 1 320.546 4.119 20 30 DIEDMP C[C@@H]1C[C@H]([NH2+]CCCCCCS)CC[N@H+]1Cc1ccccc1 ZINC001256538987 1062864590 /nfs/dbraw/zinc/86/45/90/1062864590.db2.gz UOYRYQNPKINLGE-IEBWSBKVSA-N 2 1 320.546 4.119 20 30 DIEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001460488789 1062879630 /nfs/dbraw/zinc/87/96/30/1062879630.db2.gz QLQGWGGLYWKDCC-OYRHEFFESA-N 2 1 310.485 4.356 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001258731635 1063781731 /nfs/dbraw/zinc/78/17/31/1063781731.db2.gz BLONKAWMQIRXMZ-IBGZPJMESA-N 2 1 312.501 4.329 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187823836 333150304 /nfs/dbraw/zinc/15/03/04/333150304.db2.gz CIHUVBKVWALINA-HNNXBMFYSA-N 2 1 306.881 4.074 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390578777 333302793 /nfs/dbraw/zinc/30/27/93/333302793.db2.gz DJWBZAWRSKYNSE-PKOBYXMFSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390578777 333302794 /nfs/dbraw/zinc/30/27/94/333302794.db2.gz DJWBZAWRSKYNSE-PKOBYXMFSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000536999340 337862728 /nfs/dbraw/zinc/86/27/28/337862728.db2.gz JKSSXKWVDWMSSZ-LJQANCHMSA-N 2 1 318.892 4.421 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453102094 338794127 /nfs/dbraw/zinc/79/41/27/338794127.db2.gz OTFSITRDSBZGJZ-PBHICJAKSA-N 2 1 304.503 4.317 20 30 DIEDMP C=CCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463264752 339112567 /nfs/dbraw/zinc/11/25/67/339112567.db2.gz GUETXAVIKAIROC-KRWDZBQOSA-N 2 1 318.480 4.167 20 30 DIEDMP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463264753 339112574 /nfs/dbraw/zinc/11/25/74/339112574.db2.gz GUETXAVIKAIROC-QGZVFWFLSA-N 2 1 318.480 4.167 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482631732 339638202 /nfs/dbraw/zinc/63/82/02/339638202.db2.gz OQQZKMDKKFFANP-QGZVFWFLSA-N 2 1 312.501 4.257 20 30 DIEDMP C=CC[N@@H+](CCc1ccccc1)Cc1cc(-n2ccnc2)cs1 ZINC000542464740 341008140 /nfs/dbraw/zinc/00/81/40/341008140.db2.gz GWTVUMHGKVFCFF-UHFFFAOYSA-N 2 1 323.465 4.165 20 30 DIEDMP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000542664508 341016107 /nfs/dbraw/zinc/01/61/07/341016107.db2.gz YWHWINVKNKGNHO-QGZVFWFLSA-N 2 1 312.457 4.356 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334269 341424931 /nfs/dbraw/zinc/42/49/31/341424931.db2.gz QELXLZPISGJGLZ-HXUWFJFHSA-N 2 1 316.489 4.022 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209427435 1036163045 /nfs/dbraw/zinc/16/30/45/1036163045.db2.gz QNHVXMNLFNHIJL-UHFFFAOYSA-N 2 1 300.490 4.329 20 30 DIEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000602515229 1038026498 /nfs/dbraw/zinc/02/64/98/1038026498.db2.gz OVEWKLDAMVNJDB-ROUUACIJSA-N 2 1 313.489 4.090 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)CCC#N)CC1)CC(C)C ZINC000602665044 1038064527 /nfs/dbraw/zinc/06/45/27/1038064527.db2.gz XTGCQVKDJSTLQE-GOSISDBHSA-N 2 1 307.526 4.006 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680607 1038070485 /nfs/dbraw/zinc/07/04/85/1038070485.db2.gz PTTIPWYXSVCDIQ-ROPHOZQPSA-N 2 1 323.484 4.026 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680607 1038070505 /nfs/dbraw/zinc/07/05/05/1038070505.db2.gz PTTIPWYXSVCDIQ-ROPHOZQPSA-N 2 1 323.484 4.026 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646786 1039079379 /nfs/dbraw/zinc/07/93/79/1039079379.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646786 1039079397 /nfs/dbraw/zinc/07/93/97/1039079397.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646786 1039079417 /nfs/dbraw/zinc/07/94/17/1039079417.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 2 1 312.501 4.329 20 30 DIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000158881066 1039602053 /nfs/dbraw/zinc/60/20/53/1039602053.db2.gz IMTDRRMWKLNZQD-GOSISDBHSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906817 1039880850 /nfs/dbraw/zinc/88/08/50/1039880850.db2.gz CEXSHKLCBJZGGK-HZPDHXFCSA-N 2 1 317.452 4.003 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000925079073 1042975175 /nfs/dbraw/zinc/97/51/75/1042975175.db2.gz DTQPLXAHBQYVIT-IAGOWNOFSA-N 2 1 313.489 4.130 20 30 DIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000173915317 1043056511 /nfs/dbraw/zinc/05/65/11/1043056511.db2.gz UFXICQYVGXQLCT-QGZVFWFLSA-N 2 1 321.468 4.249 20 30 DIEDMP CC(C)C[N@@H+](CCCCC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000931561407 1044046702 /nfs/dbraw/zinc/04/67/02/1044046702.db2.gz ISHLLVGWCUZBCV-UHFFFAOYSA-N 2 1 319.537 4.150 20 30 DIEDMP C=C(C)C[N@@H+](CC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328738 /nfs/dbraw/zinc/32/87/38/1044328738.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[N@H+](CC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328754 /nfs/dbraw/zinc/32/87/54/1044328754.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328769 /nfs/dbraw/zinc/32/87/69/1044328769.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328781 /nfs/dbraw/zinc/32/87/81/1044328781.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230919 1044378963 /nfs/dbraw/zinc/37/89/63/1044378963.db2.gz RBUFTZNECFTZTI-CZUORRHYSA-N 2 1 322.543 4.304 20 30 DIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449223745 1045364786 /nfs/dbraw/zinc/36/47/86/1045364786.db2.gz YVMBHDVITCVUBS-UHFFFAOYSA-N 2 1 313.489 4.089 20 30 DIEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936183 1046989729 /nfs/dbraw/zinc/98/97/29/1046989729.db2.gz ZDGBHPXZHOPOOZ-NLWGTHIKSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147687 1047661261 /nfs/dbraw/zinc/66/12/61/1047661261.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538147687 1047661264 /nfs/dbraw/zinc/66/12/64/1047661264.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538147687 1047661266 /nfs/dbraw/zinc/66/12/66/1047661266.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 2 1 300.490 4.185 20 30 DIEDMP CCCCCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201874668 1048393325 /nfs/dbraw/zinc/39/33/25/1048393325.db2.gz CDSNWGGBPVHULM-UHFFFAOYSA-N 2 1 323.525 4.257 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555592112 1048396357 /nfs/dbraw/zinc/39/63/57/1048396357.db2.gz MGRMLBLLSGNWCB-IEBWSBKVSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555592112 1048396372 /nfs/dbraw/zinc/39/63/72/1048396372.db2.gz MGRMLBLLSGNWCB-IEBWSBKVSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000482620092 1048646585 /nfs/dbraw/zinc/64/65/85/1048646585.db2.gz OCUHUSSTRKGAHK-NRFANRHFSA-N 2 1 314.517 4.274 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001177669379 1048928103 /nfs/dbraw/zinc/92/81/03/1048928103.db2.gz XDFPOJJORRSVLI-RLLQIKCJSA-N 2 1 304.522 4.366 20 30 DIEDMP CCCCCCCCc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)s1 ZINC001204919316 1049310686 /nfs/dbraw/zinc/31/06/86/1049310686.db2.gz YRXJAHJLIPVGHF-LDLYASANSA-N 2 1 320.546 4.288 20 30 DIEDMP C#Cc1ccc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cc1 ZINC001204969073 1049326212 /nfs/dbraw/zinc/32/62/12/1049326212.db2.gz RYWFTVPYCDGTNG-UHFFFAOYSA-N 2 1 324.512 4.002 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136063 1049389665 /nfs/dbraw/zinc/38/96/65/1049389665.db2.gz JSRNDUNQEHGBEV-PKOBYXMFSA-N 2 1 318.505 4.062 20 30 DIEDMP CC[NH+](CC)CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806840 1049941686 /nfs/dbraw/zinc/94/16/86/1049941686.db2.gz YVKAFTDVPKYVIC-PKOBYXMFSA-N 2 1 315.505 4.378 20 30 DIEDMP C=CCCCCCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209435471 1050058598 /nfs/dbraw/zinc/05/85/98/1050058598.db2.gz KCLIPURZRNYVHD-UHFFFAOYSA-N 2 1 304.522 4.463 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)(C)C[NH+](C)C)cc1 ZINC001168768673 1050196172 /nfs/dbraw/zinc/19/61/72/1050196172.db2.gz FVPSZWNTHDSLAP-IBGZPJMESA-N 2 1 315.505 4.009 20 30 DIEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555762 1050543148 /nfs/dbraw/zinc/54/31/48/1050543148.db2.gz HQSLYGHKYOTHQT-JKSUJKDBSA-N 2 1 304.469 4.432 20 30 DIEDMP CCCCCCC[C@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172353951 1051370145 /nfs/dbraw/zinc/37/01/45/1051370145.db2.gz CKTPVHGRJUQGBA-KRWDZBQOSA-N 2 1 323.525 4.256 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC(C)(C)CC[NH+](C)C)cc1 ZINC001169717692 1051681609 /nfs/dbraw/zinc/68/16/09/1051681609.db2.gz JNUQRMKCIYPEMG-IBGZPJMESA-N 2 1 315.505 4.152 20 30 DIEDMP C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001334049762 1054179447 /nfs/dbraw/zinc/17/94/47/1054179447.db2.gz SQDGEJFHMKMSKI-QZTJIDSGSA-N 2 1 317.521 4.093 20 30 DIEDMP C=CCCCCCCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235397064 1054711377 /nfs/dbraw/zinc/71/13/77/1054711377.db2.gz OFZBHHHTPXLAKX-MSOLQXFVSA-N 2 1 310.501 4.302 20 30 DIEDMP N#CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C1CCCCCCC1 ZINC001235663955 1054765561 /nfs/dbraw/zinc/76/55/61/1054765561.db2.gz OTFLPIFMFCPKNH-UHFFFAOYSA-N 2 1 311.473 4.118 20 30 DIEDMP C=CCCCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972728 1054877313 /nfs/dbraw/zinc/87/73/13/1054877313.db2.gz ANRBAHNLHHOCHK-UHFFFAOYSA-N 2 1 312.501 4.260 20 30 DIEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363663 1055075665 /nfs/dbraw/zinc/07/56/65/1055075665.db2.gz VPQRRKPGPVRTPS-LSDHHAIUSA-N 2 1 306.416 4.115 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363663 1055075677 /nfs/dbraw/zinc/07/56/77/1055075677.db2.gz VPQRRKPGPVRTPS-LSDHHAIUSA-N 2 1 306.416 4.115 20 30 DIEDMP CCCCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402171 1055094493 /nfs/dbraw/zinc/09/44/93/1055094493.db2.gz WNYHVXNOVLCPOU-UHFFFAOYSA-N 2 1 306.469 4.350 20 30 DIEDMP C=CC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCCCC1 ZINC001236432648 1055112235 /nfs/dbraw/zinc/11/22/35/1055112235.db2.gz CHGJHFNZNKSKPH-UHFFFAOYSA-N 2 1 323.484 4.065 20 30 DIEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000382018276 1055197195 /nfs/dbraw/zinc/19/71/95/1055197195.db2.gz WVHJTDDLYFSAER-ICSRJNTNSA-N 2 1 300.490 4.233 20 30 DIEDMP CCC(CC)[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782980 1055258121 /nfs/dbraw/zinc/25/81/21/1055258121.db2.gz VXNYRVMZKCWVDU-KESTWPANSA-N 2 1 313.489 4.127 20 30 DIEDMP CCCCCCCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300927 1055420337 /nfs/dbraw/zinc/42/03/37/1055420337.db2.gz RFIUGTSMZKTQDL-UHFFFAOYSA-N 2 1 300.490 4.441 20 30 DIEDMP CCCCCCCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300927 1055420348 /nfs/dbraw/zinc/42/03/48/1055420348.db2.gz RFIUGTSMZKTQDL-UHFFFAOYSA-N 2 1 300.490 4.441 20 30 DIEDMP CC(C)C1=[NH+]CCc2ccc(C[N@H+](CCC#N)C3CCCC3)cc21 ZINC001237880121 1055546951 /nfs/dbraw/zinc/54/69/51/1055546951.db2.gz FLIWJTRLUKPOIZ-UHFFFAOYSA-N 2 1 323.484 4.346 20 30 DIEDMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](CCC#N)C3CCCC3)cc21 ZINC001237880121 1055546958 /nfs/dbraw/zinc/54/69/58/1055546958.db2.gz FLIWJTRLUKPOIZ-UHFFFAOYSA-N 2 1 323.484 4.346 20 30 DIEDMP CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246241459 1058764833 /nfs/dbraw/zinc/76/48/33/1058764833.db2.gz RWBMYALXMNYFFP-ZWKOTPCHSA-N 2 1 300.531 4.249 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316674 1058826843 /nfs/dbraw/zinc/82/68/43/1058826843.db2.gz JFYGCZGAEJXLDM-BDXSIMOUSA-N 2 1 316.489 4.211 20 30 DIEDMP C=CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246488101 1058965431 /nfs/dbraw/zinc/96/54/31/1058965431.db2.gz HPHWBDCIZFBFFJ-NJDAHSKKSA-N 2 1 306.453 4.387 20 30 DIEDMP CCCCCCCC[C@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246550149 1058998186 /nfs/dbraw/zinc/99/81/86/1058998186.db2.gz JFBAEQPISGIQJK-RBUKOAKNSA-N 2 1 312.542 4.081 20 30 DIEDMP CC(C)(C)[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771234 1059075744 /nfs/dbraw/zinc/07/57/44/1059075744.db2.gz XAXZNCNMGFEEGW-MOPGFXCFSA-N 2 1 319.537 4.482 20 30 DIEDMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771234 1059075767 /nfs/dbraw/zinc/07/57/67/1059075767.db2.gz XAXZNCNMGFEEGW-MOPGFXCFSA-N 2 1 319.537 4.482 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838027 1059120252 /nfs/dbraw/zinc/12/02/52/1059120252.db2.gz ACJBVCNSQCKJSL-NHCUHLMSSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838027 1059120262 /nfs/dbraw/zinc/12/02/62/1059120262.db2.gz ACJBVCNSQCKJSL-NHCUHLMSSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838030 1059120502 /nfs/dbraw/zinc/12/05/02/1059120502.db2.gz ACJBVCNSQCKJSL-SFTDATJTSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838030 1059120510 /nfs/dbraw/zinc/12/05/10/1059120510.db2.gz ACJBVCNSQCKJSL-SFTDATJTSA-N 2 1 306.453 4.168 20 30 DIEDMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888034 1059154996 /nfs/dbraw/zinc/15/49/96/1059154996.db2.gz QIRSZTLCXJZBJE-QZTJIDSGSA-N 2 1 321.468 4.119 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933476 1059179949 /nfs/dbraw/zinc/17/99/49/1059179949.db2.gz IVXKQHSAYUXHME-SOUVJXGZSA-N 2 1 308.432 4.337 20 30 DIEDMP C=CCC[C@H](C)[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246963602 1059207055 /nfs/dbraw/zinc/20/70/55/1059207055.db2.gz HYCKLIBYYWHIJG-WDSOQIARSA-N 2 1 316.489 4.122 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC001560313526 1060099696 /nfs/dbraw/zinc/09/96/96/1060099696.db2.gz DUJAUXIVBUCMME-UHFFFAOYSA-N 2 1 312.432 4.109 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001473408892 1061143372 /nfs/dbraw/zinc/14/33/72/1061143372.db2.gz NFTQIJIKTZQVRV-PZJWPPBQSA-N 2 1 312.501 4.070 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001473408892 1061143381 /nfs/dbraw/zinc/14/33/81/1061143381.db2.gz NFTQIJIKTZQVRV-PZJWPPBQSA-N 2 1 312.501 4.070 20 30 DIEDMP C=CC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462560172 1061260554 /nfs/dbraw/zinc/26/05/54/1061260554.db2.gz AHMLNQKCYJWOIP-ICSRJNTNSA-N 2 1 314.517 4.479 20 30 DIEDMP C=CCCCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718901 1061366208 /nfs/dbraw/zinc/36/62/08/1061366208.db2.gz RABIRHUAHOOOJR-NHCUHLMSSA-N 2 1 312.501 4.187 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252985287 1061774957 /nfs/dbraw/zinc/77/49/57/1061774957.db2.gz CZHBAAIPIMTGMO-HXUWFJFHSA-N 2 1 324.553 4.095 20 30 DIEDMP C#Cc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001474373507 1062011799 /nfs/dbraw/zinc/01/17/99/1062011799.db2.gz MGYINNABURUBPE-LJQANCHMSA-N 2 1 324.512 4.144 20 30 DIEDMP C#CC[N@@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001474533274 1062218645 /nfs/dbraw/zinc/21/86/45/1062218645.db2.gz XZYUZWREAGVEQD-QFIPXVFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[N@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001474533274 1062218661 /nfs/dbraw/zinc/21/86/61/1062218661.db2.gz XZYUZWREAGVEQD-QFIPXVFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[NH+](C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533274 1062218678 /nfs/dbraw/zinc/21/86/78/1062218678.db2.gz XZYUZWREAGVEQD-QFIPXVFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[NH+](C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533274 1062218693 /nfs/dbraw/zinc/21/86/93/1062218693.db2.gz XZYUZWREAGVEQD-QFIPXVFZSA-N 2 1 324.512 4.022 20 30 DIEDMP SCCCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398778 1062434619 /nfs/dbraw/zinc/43/46/19/1062434619.db2.gz XSLFKWJKKNUBOM-IBGZPJMESA-N 2 1 320.546 4.121 20 30 DIEDMP C=CC[N@H+]([C@H]1CCC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410104 1062445610 /nfs/dbraw/zinc/44/56/10/1062445610.db2.gz QWIQEDGSZIABNJ-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[N@@H+]([C@H]1CCC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410104 1062445624 /nfs/dbraw/zinc/44/56/24/1062445624.db2.gz QWIQEDGSZIABNJ-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[NH+]([C@H]1CCC[N@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410104 1062445630 /nfs/dbraw/zinc/44/56/30/1062445630.db2.gz QWIQEDGSZIABNJ-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[NH+]([C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410104 1062445641 /nfs/dbraw/zinc/44/56/41/1062445641.db2.gz QWIQEDGSZIABNJ-IBGZPJMESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255950277 1062670878 /nfs/dbraw/zinc/67/08/78/1062670878.db2.gz GSCFOTCUQNRTCF-IAGOWNOFSA-N 2 1 304.478 4.022 20 30 DIEDMP CCCCCCCC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860620 1063019639 /nfs/dbraw/zinc/01/96/39/1063019639.db2.gz GOJJQLMYCWVYPZ-UHFFFAOYSA-N 2 1 303.494 4.343 20 30 DIEDMP CCCCCCC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258041359 1063476041 /nfs/dbraw/zinc/47/60/41/1063476041.db2.gz RZAFGPSDJPOJCL-KRWDZBQOSA-N 2 1 303.494 4.080 20 30 DIEDMP C=CCC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723670 1063777287 /nfs/dbraw/zinc/77/72/87/1063777287.db2.gz BSTAYDCVNZMYET-WDSOQIARSA-N 2 1 316.489 4.122 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001258734297 1063784945 /nfs/dbraw/zinc/78/49/45/1063784945.db2.gz WFOOJAFTBXBLRM-MRXNPFEDSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001258734297 1063784955 /nfs/dbraw/zinc/78/49/55/1063784955.db2.gz WFOOJAFTBXBLRM-MRXNPFEDSA-N 2 1 304.453 4.077 20 30 DIEDMP C=C1C[C@@H]2CC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000700345529 1064211202 /nfs/dbraw/zinc/21/12/02/1064211202.db2.gz CSCXMIQJGHYWHH-IZCSPVGOSA-N 2 1 324.512 4.233 20 30 DIEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279271967 1064340234 /nfs/dbraw/zinc/34/02/34/1064340234.db2.gz KGAMBKCLBDRXFF-HXUWFJFHSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279271967 1064340241 /nfs/dbraw/zinc/34/02/41/1064340241.db2.gz KGAMBKCLBDRXFF-HXUWFJFHSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001279271967 1064340252 /nfs/dbraw/zinc/34/02/52/1064340252.db2.gz KGAMBKCLBDRXFF-HXUWFJFHSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001279271967 1064340265 /nfs/dbraw/zinc/34/02/65/1064340265.db2.gz KGAMBKCLBDRXFF-HXUWFJFHSA-N 2 1 315.505 4.049 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(SCC)cc2)CC1 ZINC000533787261 331689613 /nfs/dbraw/zinc/68/96/13/331689613.db2.gz SGHGMVZLUWKTLG-MRXNPFEDSA-N 2 1 318.530 4.490 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2ccc(OC)cc2)CC1 ZINC000152952287 332275884 /nfs/dbraw/zinc/27/58/84/332275884.db2.gz PNKYRHMRJFFOTM-HXUWFJFHSA-N 2 1 316.489 4.167 20 30 DIEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992289 338357866 /nfs/dbraw/zinc/35/78/66/338357866.db2.gz QJQISIWMDHDQBK-YYWHXJBOSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992289 338357867 /nfs/dbraw/zinc/35/78/67/338357867.db2.gz QJQISIWMDHDQBK-YYWHXJBOSA-N 2 1 312.501 4.374 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453102098 338794179 /nfs/dbraw/zinc/79/41/79/338794179.db2.gz OTFSITRDSBZGJZ-RHSMWYFYSA-N 2 1 304.503 4.317 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)CCc2ccccc2)CC1 ZINC000462051284 339071494 /nfs/dbraw/zinc/07/14/94/339071494.db2.gz SZKNETPLMIGCMB-HXUWFJFHSA-N 2 1 314.517 4.418 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000468366561 339260738 /nfs/dbraw/zinc/26/07/38/339260738.db2.gz HIAXCXUVRVDYCR-LEWJYISDSA-N 2 1 312.501 4.261 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474704346 339423033 /nfs/dbraw/zinc/42/30/33/339423033.db2.gz ACXBBAZTGFFCAC-FQEVSTJZSA-N 2 1 314.517 4.446 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000482630109 339638047 /nfs/dbraw/zinc/63/80/47/339638047.db2.gz MPAGPIUURHSFEE-SFHVURJKSA-N 2 1 306.881 4.421 20 30 DIEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000550227757 341313117 /nfs/dbraw/zinc/31/31/17/341313117.db2.gz UJEJYFWPBJDXBL-UHFFFAOYSA-N 2 1 318.480 4.025 20 30 DIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181609257 519629479 /nfs/dbraw/zinc/62/94/79/519629479.db2.gz QSNYUXCBZXCZGF-KRWDZBQOSA-N 2 1 321.468 4.249 20 30 DIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000181609275 519629629 /nfs/dbraw/zinc/62/96/29/519629629.db2.gz QSNYUXCBZXCZGF-QGZVFWFLSA-N 2 1 321.468 4.249 20 30 DIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181495373 519630969 /nfs/dbraw/zinc/63/09/69/519630969.db2.gz KHZHDRKWZUALCP-KRWDZBQOSA-N 2 1 321.468 4.249 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208683 1036062340 /nfs/dbraw/zinc/06/23/40/1036062340.db2.gz XTOVOMKKLVRUPM-LEWJYISDSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208683 1036062360 /nfs/dbraw/zinc/06/23/60/1036062360.db2.gz XTOVOMKKLVRUPM-LEWJYISDSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208683 1036062373 /nfs/dbraw/zinc/06/23/73/1036062373.db2.gz XTOVOMKKLVRUPM-LEWJYISDSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646792 1039079039 /nfs/dbraw/zinc/07/90/39/1039079039.db2.gz GSKJDLNHYOJYMF-SFTDATJTSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646792 1039079056 /nfs/dbraw/zinc/07/90/56/1039079056.db2.gz GSKJDLNHYOJYMF-SFTDATJTSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646792 1039079074 /nfs/dbraw/zinc/07/90/74/1039079074.db2.gz GSKJDLNHYOJYMF-SFTDATJTSA-N 2 1 312.501 4.329 20 30 DIEDMP N#CCCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132914 1042698564 /nfs/dbraw/zinc/69/85/64/1042698564.db2.gz PUAOEPOCUOMPOT-HSALFYBXSA-N 2 1 305.425 4.156 20 30 DIEDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167970422 1042961570 /nfs/dbraw/zinc/96/15/70/1042961570.db2.gz KLMACNMDMFOFRK-OTYNDTSQSA-N 2 1 323.484 4.004 20 30 DIEDMP C#CC(CC)(CC)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004899 1043238563 /nfs/dbraw/zinc/23/85/63/1043238563.db2.gz BLJRNRDCCPZMTI-ROUUACIJSA-N 2 1 312.501 4.210 20 30 DIEDMP C[C@@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030745 1043703364 /nfs/dbraw/zinc/70/33/64/1043703364.db2.gz XBVWKUQZWNQIIS-OPVJXMOQSA-N 2 1 312.501 4.067 20 30 DIEDMP C[C@@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030745 1043703377 /nfs/dbraw/zinc/70/33/77/1043703377.db2.gz XBVWKUQZWNQIIS-OPVJXMOQSA-N 2 1 312.501 4.067 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474704347 1043894500 /nfs/dbraw/zinc/89/45/00/1043894500.db2.gz ACXBBAZTGFFCAC-HXUWFJFHSA-N 2 1 314.517 4.446 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564718468 1044400407 /nfs/dbraw/zinc/40/04/07/1044400407.db2.gz JHHAXDBCNIPLLE-PKOBYXMFSA-N 2 1 300.490 4.089 20 30 DIEDMP C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519895 1045016400 /nfs/dbraw/zinc/01/64/00/1045016400.db2.gz UHYYMLGSCYRBQW-ZWKOTPCHSA-N 2 1 317.521 4.093 20 30 DIEDMP CCCCCCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258041099 1045125140 /nfs/dbraw/zinc/12/51/40/1045125140.db2.gz MAVILIPIVSGIED-QGZVFWFLSA-N 3 1 313.574 4.211 20 30 DIEDMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525849 1045135428 /nfs/dbraw/zinc/13/54/28/1045135428.db2.gz ABOWFDIVCWANPN-FQEVSTJZSA-N 2 1 313.489 4.254 20 30 DIEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447541646 1045143819 /nfs/dbraw/zinc/14/38/19/1045143819.db2.gz NCMAFRXHSXSAHM-FXAWDEMLSA-N 2 1 313.489 4.111 20 30 DIEDMP C=CCC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034221 1045200500 /nfs/dbraw/zinc/20/05/00/1045200500.db2.gz WPFDWDKDJDGTLR-VQTJNVASSA-N 2 1 324.468 4.399 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034221 1045200522 /nfs/dbraw/zinc/20/05/22/1045200522.db2.gz WPFDWDKDJDGTLR-VQTJNVASSA-N 2 1 324.468 4.399 20 30 DIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000925079070 1045224523 /nfs/dbraw/zinc/22/45/23/1045224523.db2.gz DTQPLXAHBQYVIT-DLBZAZTESA-N 2 1 313.489 4.130 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000120737764 1047500126 /nfs/dbraw/zinc/50/01/26/1047500126.db2.gz CPRGYNASVSMPRH-LPHOPBHVSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000120737764 1047500130 /nfs/dbraw/zinc/50/01/30/1047500130.db2.gz CPRGYNASVSMPRH-LPHOPBHVSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000121351525 1047518243 /nfs/dbraw/zinc/51/82/43/1047518243.db2.gz HZZLBGZNUITMKP-ZIFCJYIRSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000121351525 1047518248 /nfs/dbraw/zinc/51/82/48/1047518248.db2.gz HZZLBGZNUITMKP-ZIFCJYIRSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538147683 1047660191 /nfs/dbraw/zinc/66/01/91/1047660191.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538147683 1047660193 /nfs/dbraw/zinc/66/01/93/1047660193.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538147683 1047660196 /nfs/dbraw/zinc/66/01/96/1047660196.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 2 1 300.490 4.185 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479068836 1047834144 /nfs/dbraw/zinc/83/41/44/1047834144.db2.gz OXOTXTIOOZSXHP-LJQANCHMSA-N 2 1 322.443 4.292 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652259 1047951242 /nfs/dbraw/zinc/95/12/42/1047951242.db2.gz PNTMSHFCIAGVOF-JWUVWSEFSA-N 2 1 322.496 4.136 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652259 1047951247 /nfs/dbraw/zinc/95/12/47/1047951247.db2.gz PNTMSHFCIAGVOF-JWUVWSEFSA-N 2 1 322.496 4.136 20 30 DIEDMP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001199295157 1048054891 /nfs/dbraw/zinc/05/48/91/1048054891.db2.gz FWFKGUJOOTUTCX-PXNSSMCTSA-N 2 1 300.490 4.361 20 30 DIEDMP CCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376189 /nfs/dbraw/zinc/37/61/89/1048376189.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376202 /nfs/dbraw/zinc/37/62/02/1048376202.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376213 /nfs/dbraw/zinc/37/62/13/1048376213.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 2 1 320.525 4.070 20 30 DIEDMP CCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376229 /nfs/dbraw/zinc/37/62/29/1048376229.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 2 1 320.525 4.070 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555592113 1048397825 /nfs/dbraw/zinc/39/78/25/1048397825.db2.gz MGRMLBLLSGNWCB-MJGOQNOKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555592113 1048397842 /nfs/dbraw/zinc/39/78/42/1048397842.db2.gz MGRMLBLLSGNWCB-MJGOQNOKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001203234765 1048850159 /nfs/dbraw/zinc/85/01/59/1048850159.db2.gz IMAZYYXYIFDTBF-UHFFFAOYSA-N 2 1 318.480 4.025 20 30 DIEDMP CCCCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233688 1048906271 /nfs/dbraw/zinc/90/62/71/1048906271.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 2 1 302.506 4.411 20 30 DIEDMP CCCCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191233688 1048906280 /nfs/dbraw/zinc/90/62/80/1048906280.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 2 1 302.506 4.411 20 30 DIEDMP CCCCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191233688 1048906287 /nfs/dbraw/zinc/90/62/87/1048906287.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 2 1 302.506 4.411 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001177669377 1048927379 /nfs/dbraw/zinc/92/73/79/1048927379.db2.gz XDFPOJJORRSVLI-HOJAQTOUSA-N 2 1 304.522 4.366 20 30 DIEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001179516044 1049172812 /nfs/dbraw/zinc/17/28/12/1049172812.db2.gz PLEYWKMTXDRVQY-UHFFFAOYSA-N 2 1 314.517 4.276 20 30 DIEDMP CC#CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194940850 1049452488 /nfs/dbraw/zinc/45/24/88/1049452488.db2.gz BPIVVZCXJMIXGB-JOCHJYFZSA-N 2 1 324.512 4.167 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951874 1050029525 /nfs/dbraw/zinc/02/95/25/1050029525.db2.gz FTSLAMILXGKSGA-JOCHJYFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951874 1050029530 /nfs/dbraw/zinc/02/95/30/1050029530.db2.gz FTSLAMILXGKSGA-JOCHJYFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951874 1050029533 /nfs/dbraw/zinc/02/95/33/1050029533.db2.gz FTSLAMILXGKSGA-JOCHJYFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951874 1050029539 /nfs/dbraw/zinc/02/95/39/1050029539.db2.gz FTSLAMILXGKSGA-JOCHJYFZSA-N 2 1 320.480 4.197 20 30 DIEDMP C=CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960150 1050029717 /nfs/dbraw/zinc/02/97/17/1050029717.db2.gz UOYFRCJVENVKNY-HXUWFJFHSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960150 1050029724 /nfs/dbraw/zinc/02/97/24/1050029724.db2.gz UOYFRCJVENVKNY-HXUWFJFHSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960150 1050029730 /nfs/dbraw/zinc/02/97/30/1050029730.db2.gz UOYFRCJVENVKNY-HXUWFJFHSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209200813 1050043637 /nfs/dbraw/zinc/04/36/37/1050043637.db2.gz PCARCDOBFWUKLO-UHFFFAOYSA-N 2 1 318.530 4.392 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209433273 1050058722 /nfs/dbraw/zinc/05/87/22/1050058722.db2.gz SYEGHVZWXBNNSC-UHFFFAOYSA-N 2 1 318.480 4.468 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209433273 1050058725 /nfs/dbraw/zinc/05/87/25/1050058725.db2.gz SYEGHVZWXBNNSC-UHFFFAOYSA-N 2 1 318.480 4.468 20 30 DIEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635569 1050773204 /nfs/dbraw/zinc/77/32/04/1050773204.db2.gz CQBDZAKPUGAXJT-JKSUJKDBSA-N 2 1 302.453 4.056 20 30 DIEDMP C=CCCCCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000793519302 1051305254 /nfs/dbraw/zinc/30/52/54/1051305254.db2.gz BYSDSPFVFDHSRF-INIZCTEOSA-N 2 1 312.461 4.190 20 30 DIEDMP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657322 1051356503 /nfs/dbraw/zinc/35/65/03/1051356503.db2.gz SBLKKHMKGCUZAE-KNQAVFIVSA-N 2 1 320.480 4.343 20 30 DIEDMP CCCCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172504441 1051422415 /nfs/dbraw/zinc/42/24/15/1051422415.db2.gz YUGLRJRGRVWXAG-SFHVURJKSA-N 2 1 312.542 4.216 20 30 DIEDMP CCCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172504439 1051422893 /nfs/dbraw/zinc/42/28/93/1051422893.db2.gz YUGLRJRGRVWXAG-GOSISDBHSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCOC1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173319124 1051714086 /nfs/dbraw/zinc/71/40/86/1051714086.db2.gz ZBTFRKQASSOAPT-POSCCBCBSA-N 2 1 322.537 4.118 20 30 DIEDMP C=CC[C@H](CCCC)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218438701 1052238696 /nfs/dbraw/zinc/23/86/96/1052238696.db2.gz NMTRZKUSLRUFIJ-LJQANCHMSA-N 2 1 316.489 4.123 20 30 DIEDMP CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595579 1052514852 /nfs/dbraw/zinc/51/48/52/1052514852.db2.gz DEGKBNGRHHKTMV-IBGZPJMESA-N 2 1 300.490 4.036 20 30 DIEDMP C=CCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000126328411 1052668832 /nfs/dbraw/zinc/66/88/32/1052668832.db2.gz KNOCSPODYSFOEQ-SFHVURJKSA-N 2 1 300.490 4.028 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235088674 1054654334 /nfs/dbraw/zinc/65/43/34/1054654334.db2.gz NVKGLKIDAFSXGO-KRWDZBQOSA-N 2 1 314.464 4.224 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235841282 1054819876 /nfs/dbraw/zinc/81/98/76/1054819876.db2.gz CWNPMGBCPZUAMQ-IBGZPJMESA-N 2 1 318.505 4.077 20 30 DIEDMP C=CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363659 1055075036 /nfs/dbraw/zinc/07/50/36/1055075036.db2.gz VPQRRKPGPVRTPS-GJZGRUSLSA-N 2 1 306.416 4.115 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363659 1055075045 /nfs/dbraw/zinc/07/50/45/1055075045.db2.gz VPQRRKPGPVRTPS-GJZGRUSLSA-N 2 1 306.416 4.115 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC1 ZINC001236457045 1055125432 /nfs/dbraw/zinc/12/54/32/1055125432.db2.gz JFXYJJQCTPNGCJ-GOSISDBHSA-N 2 1 304.522 4.389 20 30 DIEDMP C=CCCCC[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481054 1055138823 /nfs/dbraw/zinc/13/88/23/1055138823.db2.gz NLOPGOIDOMTXOJ-UHFFFAOYSA-N 2 1 304.453 4.044 20 30 DIEDMP C=CCCCC[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509133 1055152902 /nfs/dbraw/zinc/15/29/02/1055152902.db2.gz HBWINWASLJTRLZ-UHFFFAOYSA-N 2 1 304.453 4.044 20 30 DIEDMP CCCCCCCCC[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554262 1055181891 /nfs/dbraw/zinc/18/18/91/1055181891.db2.gz XQDJOCCQRSCVGR-WGSAOQKQSA-N 2 1 324.553 4.488 20 30 DIEDMP C#Cc1cccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236567970 1055188702 /nfs/dbraw/zinc/18/87/02/1055188702.db2.gz SIZLTWAMAGJHNA-XUTJKUGGSA-N 2 1 310.485 4.073 20 30 DIEDMP C#Cc1cccc(C[N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236758035 1055250867 /nfs/dbraw/zinc/25/08/67/1055250867.db2.gz AXNAGXBLPIFCBX-HZCBDIJESA-N 2 1 324.512 4.320 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC001620772499 1055941261 /nfs/dbraw/zinc/94/12/61/1055941261.db2.gz HGUNIKDRCVWMNB-UHFFFAOYSA-N 2 1 312.501 4.474 20 30 DIEDMP C=CCCCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001616996691 1056757676 /nfs/dbraw/zinc/75/76/76/1056757676.db2.gz ALIFXQYKNPQLFE-KXTWHKPSSA-N 2 1 314.517 4.479 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639095 1057490856 /nfs/dbraw/zinc/49/08/56/1057490856.db2.gz FWZVTPVWCFIYFZ-FPOVZHCZSA-N 2 1 312.501 4.233 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(C[NH2+]C)c2)cc1 ZINC001242999727 1057540972 /nfs/dbraw/zinc/54/09/72/1057540972.db2.gz UQEWBYLMWQMDIM-OAQYLSRUSA-N 2 1 306.453 4.396 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000730019848 1057701721 /nfs/dbraw/zinc/70/17/21/1057701721.db2.gz SOGFFAGRTQWPQJ-UHFFFAOYSA-N 2 1 320.480 4.484 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025711 1058655983 /nfs/dbraw/zinc/65/59/83/1058655983.db2.gz ZIJZINYKOSDVPD-RTBURBONSA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCCC[C@H](O)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071297 1058663075 /nfs/dbraw/zinc/66/30/75/1058663075.db2.gz RNRTVJAXGCRGHT-IHPCNDPISA-N 2 1 324.553 4.222 20 30 DIEDMP CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242170 1058764111 /nfs/dbraw/zinc/76/41/11/1058764111.db2.gz XOAPRRNRGOXMQJ-QZTJIDSGSA-N 2 1 300.531 4.249 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246317949 1058830839 /nfs/dbraw/zinc/83/08/39/1058830839.db2.gz PFDRYNMREBVKAL-KSZLIROESA-N 2 1 316.489 4.213 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246339280 1058847067 /nfs/dbraw/zinc/84/70/67/1058847067.db2.gz CXGVBZCXOKZOAH-SOUVJXGZSA-N 2 1 308.432 4.256 20 30 DIEDMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCCCCCS)CC[NH2+]1 ZINC001246461484 1058948347 /nfs/dbraw/zinc/94/83/47/1058948347.db2.gz BQWFTUNDGOTXFY-SJLPKXTDSA-N 2 1 324.509 4.007 20 30 DIEDMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCCCCCS)CC[NH2+]1 ZINC001246461482 1058949851 /nfs/dbraw/zinc/94/98/51/1058949851.db2.gz BQWFTUNDGOTXFY-FUHWJXTLSA-N 2 1 324.509 4.007 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246638293 1059042918 /nfs/dbraw/zinc/04/29/18/1059042918.db2.gz LKBALMSYAVDMBX-IRXDYDNUSA-N 2 1 316.480 4.446 20 30 DIEDMP CC(C)(C)[C@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771238 1059071890 /nfs/dbraw/zinc/07/18/90/1059071890.db2.gz XAXZNCNMGFEEGW-RTBURBONSA-N 2 1 319.537 4.482 20 30 DIEDMP CC(C)(C)[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771238 1059071913 /nfs/dbraw/zinc/07/19/13/1059071913.db2.gz XAXZNCNMGFEEGW-RTBURBONSA-N 2 1 319.537 4.482 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794943 1059098828 /nfs/dbraw/zinc/09/88/28/1059098828.db2.gz LHGYXTKKISELTQ-OALUTQOASA-N 2 1 300.490 4.374 20 30 DIEDMP CCCCCCCCCCCC[N@@H+](C)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246863248 1059138686 /nfs/dbraw/zinc/13/86/86/1059138686.db2.gz YBWYCVGIEGWDGY-LJQANCHMSA-N 2 1 324.553 4.360 20 30 DIEDMP C[NH2+]CC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888039 1059156093 /nfs/dbraw/zinc/15/60/93/1059156093.db2.gz QIRSZTLCXJZBJE-ZWKOTPCHSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951622 1059195968 /nfs/dbraw/zinc/19/59/68/1059195968.db2.gz MTSDOCCPVZUMAZ-MRXNPFEDSA-N 2 1 304.453 4.043 20 30 DIEDMP CCCCCCC[C@@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949808 1059196621 /nfs/dbraw/zinc/19/66/21/1059196621.db2.gz LTQOYGIRFWBLBP-GOSISDBHSA-N 2 1 312.542 4.216 20 30 DIEDMP CCCCCCC[C@H](C)[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955901 1059201242 /nfs/dbraw/zinc/20/12/42/1059201242.db2.gz VJGZMIFIKKBKNL-SFHVURJKSA-N 2 1 317.521 4.385 20 30 DIEDMP C=CCC[C@@H](C)[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246963599 1059207732 /nfs/dbraw/zinc/20/77/32/1059207732.db2.gz HYCKLIBYYWHIJG-BHIYHBOVSA-N 2 1 316.489 4.122 20 30 DIEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246978668 1059223005 /nfs/dbraw/zinc/22/30/05/1059223005.db2.gz VHQFUZYYLZLFAM-WOJBJXKFSA-N 2 1 323.569 4.013 20 30 DIEDMP C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560963656 1060830700 /nfs/dbraw/zinc/83/07/00/1060830700.db2.gz UEDGTEUWGQZRJS-UYAOXDASSA-N 2 1 314.517 4.479 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462508544 1061220569 /nfs/dbraw/zinc/22/05/69/1061220569.db2.gz OCBBIUSDDLMEFD-RLLQIKCJSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462560171 1061262511 /nfs/dbraw/zinc/26/25/11/1061262511.db2.gz AHMLNQKCYJWOIP-AZUAARDMSA-N 2 1 314.517 4.479 20 30 DIEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252133204 1061590843 /nfs/dbraw/zinc/59/08/43/1061590843.db2.gz NBNQNEMIIVMIDB-LJQANCHMSA-N 2 1 324.553 4.048 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252987708 1061780122 /nfs/dbraw/zinc/78/01/22/1061780122.db2.gz VYZDBMBBOJNZRC-YRPNKDGESA-N 2 1 324.553 4.093 20 30 DIEDMP C#CCCCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174756 /nfs/dbraw/zinc/17/47/56/1062174756.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174765 /nfs/dbraw/zinc/17/47/65/1062174765.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174783 /nfs/dbraw/zinc/17/47/83/1062174783.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176339 /nfs/dbraw/zinc/17/63/39/1062176339.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176322 /nfs/dbraw/zinc/17/63/22/1062176322.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176330 /nfs/dbraw/zinc/17/63/30/1062176330.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177078 /nfs/dbraw/zinc/17/70/78/1062177078.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177088 /nfs/dbraw/zinc/17/70/88/1062177088.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177101 /nfs/dbraw/zinc/17/71/01/1062177101.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 2 1 304.522 4.157 20 30 DIEDMP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001255136031 1062330586 /nfs/dbraw/zinc/33/05/86/1062330586.db2.gz LQILGALFCGTBDR-WKCHPHFGSA-N 2 1 322.496 4.108 20 30 DIEDMP C=CC[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341586 /nfs/dbraw/zinc/34/15/86/1062341586.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341611 /nfs/dbraw/zinc/34/16/11/1062341611.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341638 /nfs/dbraw/zinc/34/16/38/1062341638.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341662 /nfs/dbraw/zinc/34/16/62/1062341662.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 2 1 312.501 4.469 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256561582 1062886269 /nfs/dbraw/zinc/88/62/69/1062886269.db2.gz YUCPIHFYVIGMIR-UYAOXDASSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256561582 1062886278 /nfs/dbraw/zinc/88/62/78/1062886278.db2.gz YUCPIHFYVIGMIR-UYAOXDASSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256561582 1062886294 /nfs/dbraw/zinc/88/62/94/1062886294.db2.gz YUCPIHFYVIGMIR-UYAOXDASSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256561582 1062886310 /nfs/dbraw/zinc/88/63/10/1062886310.db2.gz YUCPIHFYVIGMIR-UYAOXDASSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256563920 1062889804 /nfs/dbraw/zinc/88/98/04/1062889804.db2.gz KWHJXZSVOAQHCP-MRXNPFEDSA-N 2 1 316.489 4.165 20 30 DIEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC1(C#N)CCCCC1 ZINC001460695001 1062993384 /nfs/dbraw/zinc/99/33/84/1062993384.db2.gz XBMMWAQGMMWYGU-UHFFFAOYSA-N 2 1 305.510 4.048 20 30 DIEDMP C=C1C[C@@H]2CC([N@H+](C)CC3CC[NH+](C(C)C)CC3)C[C@H](C1)C2 ZINC001257893696 1063430802 /nfs/dbraw/zinc/43/08/02/1063430802.db2.gz XWKRNDSRPYCYFQ-YOFSQIOKSA-N 2 1 304.522 4.174 20 30 DIEDMP CCCCCCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258041360 1063474961 /nfs/dbraw/zinc/47/49/61/1063474961.db2.gz RZAFGPSDJPOJCL-QGZVFWFLSA-N 2 1 303.494 4.080 20 30 DIEDMP CCCCCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258230861 1063571267 /nfs/dbraw/zinc/57/12/67/1063571267.db2.gz CRZMYKHFJHWYFW-GOSISDBHSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001461675092 1063651556 /nfs/dbraw/zinc/65/15/56/1063651556.db2.gz IRMSTQOJBQYUQG-UHFFFAOYSA-N 2 1 314.517 4.276 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724225 1063778176 /nfs/dbraw/zinc/77/81/76/1063778176.db2.gz QNCAPXBPBMFGIX-MISYRCLQSA-N 2 1 300.490 4.422 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)CC1 ZINC001279490952 1064352846 /nfs/dbraw/zinc/35/28/46/1064352846.db2.gz VORBGVYHXHCKHH-LJQANCHMSA-N 2 1 302.506 4.097 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308488692 1066022804 /nfs/dbraw/zinc/02/28/04/1066022804.db2.gz PTEGLQHGXRMVBM-ZSXPUABSSA-N 2 1 312.501 4.089 20 30 DIEDMP C=C1CCC(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001308512901 1066039538 /nfs/dbraw/zinc/03/95/38/1066039538.db2.gz KXVDMVAMZSTSFP-UHFFFAOYSA-N 2 1 314.517 4.481 20 30 DIEDMP C#CCCCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308644882 1066135194 /nfs/dbraw/zinc/13/51/94/1066135194.db2.gz XDNNPBBXFIGANI-CTNGQTDRSA-N 2 1 312.501 4.070 20 30 DIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364357263 333298147 /nfs/dbraw/zinc/29/81/47/333298147.db2.gz UVCYFZJIJALSHH-IBGZPJMESA-N 2 1 319.537 4.150 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000531975002 334340768 /nfs/dbraw/zinc/34/07/68/334340768.db2.gz NCWCDVVJDSBMBJ-UHFFFAOYSA-N 2 1 312.501 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000532514492 336253182 /nfs/dbraw/zinc/25/31/82/336253182.db2.gz AFEPDZIVHYTARP-LEWJYISDSA-N 2 1 312.501 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000532514882 336253189 /nfs/dbraw/zinc/25/31/89/336253189.db2.gz SAODEZYUGAVCDL-INIZCTEOSA-N 2 1 304.453 4.134 20 30 DIEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000178675572 337165343 /nfs/dbraw/zinc/16/53/43/337165343.db2.gz CGHNITOFXKNICF-OAQYLSRUSA-N 2 1 312.501 4.028 20 30 DIEDMP C=CCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688816 338223459 /nfs/dbraw/zinc/22/34/59/338223459.db2.gz PYTCQXONTQZKPD-UHFFFAOYSA-N 2 1 301.478 4.145 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436244874 338263173 /nfs/dbraw/zinc/26/31/73/338263173.db2.gz SEMVMRSOTRNUJN-CTNGQTDRSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438197683 338336207 /nfs/dbraw/zinc/33/62/07/338336207.db2.gz DGJCBRHGWOXSMW-NHCUHLMSSA-N 2 1 312.501 4.127 20 30 DIEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992186 338357940 /nfs/dbraw/zinc/35/79/40/338357940.db2.gz QJQISIWMDHDQBK-QMMLZNLJSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992186 338357941 /nfs/dbraw/zinc/35/79/41/338357941.db2.gz QJQISIWMDHDQBK-QMMLZNLJSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463272033 339112861 /nfs/dbraw/zinc/11/28/61/339112861.db2.gz NNCWMRWTFLDGHL-CMKODMSKSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463272033 339112862 /nfs/dbraw/zinc/11/28/62/339112862.db2.gz NNCWMRWTFLDGHL-CMKODMSKSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463277669 339112956 /nfs/dbraw/zinc/11/29/56/339112956.db2.gz TXPMFCBGTLZBCV-LJQANCHMSA-N 2 1 314.517 4.418 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000482630108 339638064 /nfs/dbraw/zinc/63/80/64/339638064.db2.gz MPAGPIUURHSFEE-GOSISDBHSA-N 2 1 306.881 4.421 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(CCC)cc2)CC1 ZINC000482647537 339638963 /nfs/dbraw/zinc/63/89/63/339638963.db2.gz KNVLYKKYMFMVOE-QGZVFWFLSA-N 2 1 300.490 4.330 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000550855979 341324599 /nfs/dbraw/zinc/32/45/99/341324599.db2.gz GJGSYZDRBANGSZ-IEBWSBKVSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000550855979 341324600 /nfs/dbraw/zinc/32/46/00/341324600.db2.gz GJGSYZDRBANGSZ-IEBWSBKVSA-N 2 1 300.490 4.089 20 30 DIEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000602513349 1038030152 /nfs/dbraw/zinc/03/01/52/1038030152.db2.gz CBYNGDKLLZSMFT-MSOLQXFVSA-N 2 1 313.489 4.090 20 30 DIEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000602513354 1038031788 /nfs/dbraw/zinc/03/17/88/1038031788.db2.gz CBYNGDKLLZSMFT-ROUUACIJSA-N 2 1 313.489 4.090 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000153017036 1038061984 /nfs/dbraw/zinc/06/19/84/1038061984.db2.gz FTWQHCMPAXOEPN-QGZVFWFLSA-N 2 1 316.489 4.165 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)CCC#N)CC1)CC(C)C ZINC000602665045 1038063380 /nfs/dbraw/zinc/06/33/80/1038063380.db2.gz XTGCQVKDJSTLQE-SFHVURJKSA-N 2 1 307.526 4.006 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680603 1038070010 /nfs/dbraw/zinc/07/00/10/1038070010.db2.gz PTTIPWYXSVCDIQ-MCNSAMFCSA-N 2 1 323.484 4.026 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680603 1038070015 /nfs/dbraw/zinc/07/00/15/1038070015.db2.gz PTTIPWYXSVCDIQ-MCNSAMFCSA-N 2 1 323.484 4.026 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680611 1038071234 /nfs/dbraw/zinc/07/12/34/1038071234.db2.gz PTTIPWYXSVCDIQ-XFIJJGBISA-N 2 1 323.484 4.026 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680611 1038071254 /nfs/dbraw/zinc/07/12/54/1038071254.db2.gz PTTIPWYXSVCDIQ-XFIJJGBISA-N 2 1 323.484 4.026 20 30 DIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000158881213 1039602277 /nfs/dbraw/zinc/60/22/77/1039602277.db2.gz IMTDRRMWKLNZQD-SFHVURJKSA-N 2 1 319.537 4.293 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492329140 1039950354 /nfs/dbraw/zinc/95/03/54/1039950354.db2.gz LILUBLLKBSNGKO-CMKODMSKSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205212 1040111051 /nfs/dbraw/zinc/11/10/51/1040111051.db2.gz CPXMTWMJWBHYII-UGKGYDQZSA-N 2 1 320.480 4.200 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000513511722 1042549691 /nfs/dbraw/zinc/54/96/91/1042549691.db2.gz KRTSOIYBXUMBDJ-FOWTUZBSSA-N 2 1 318.892 4.373 20 30 DIEDMP C=CC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001766 1043196599 /nfs/dbraw/zinc/19/65/99/1043196599.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 2 1 302.506 4.213 20 30 DIEDMP C=CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001766 1043196607 /nfs/dbraw/zinc/19/66/07/1043196607.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 2 1 302.506 4.213 20 30 DIEDMP C=CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001766 1043196619 /nfs/dbraw/zinc/19/66/19/1043196619.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 2 1 302.506 4.213 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000521337869 1043387382 /nfs/dbraw/zinc/38/73/82/1043387382.db2.gz MXSJHONQGHSRGU-UHFFFAOYSA-N 2 1 300.490 4.114 20 30 DIEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCCC1(C#N)CCC1 ZINC000931703211 1044063340 /nfs/dbraw/zinc/06/33/40/1044063340.db2.gz GZNKDYCQOFVTCG-UHFFFAOYSA-N 2 1 305.510 4.048 20 30 DIEDMP C=C(C)C[N@@H+](CC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059779 1044328935 /nfs/dbraw/zinc/32/89/35/1044328935.db2.gz HCNHTBRHJSBAGJ-ROUUACIJSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[N@H+](CC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059779 1044328947 /nfs/dbraw/zinc/32/89/47/1044328947.db2.gz HCNHTBRHJSBAGJ-ROUUACIJSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564718466 1044399551 /nfs/dbraw/zinc/39/95/51/1044399551.db2.gz JHHAXDBCNIPLLE-IEBWSBKVSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564718467 1044400291 /nfs/dbraw/zinc/40/02/91/1044400291.db2.gz JHHAXDBCNIPLLE-MJGOQNOKSA-N 2 1 300.490 4.089 20 30 DIEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447535582 1045140898 /nfs/dbraw/zinc/14/08/98/1045140898.db2.gz HFSJVUIZIIBQIZ-XLIONFOSSA-N 2 1 313.489 4.254 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447823328 1045178814 /nfs/dbraw/zinc/17/88/14/1045178814.db2.gz UAMXRWVYDBLRTH-UHFFFAOYSA-N 2 1 324.871 4.042 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](CCCC(C)(C)C#N)CC1)CC1CC1 ZINC000537845283 1047639727 /nfs/dbraw/zinc/63/97/27/1047639727.db2.gz DGKCNVXJTICFHS-UHFFFAOYSA-N 2 1 319.537 4.150 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538099989 1047656983 /nfs/dbraw/zinc/65/69/83/1047656983.db2.gz ABQVAYKGYHXURF-FQEVSTJZSA-N 2 1 316.464 4.215 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652261 1047950701 /nfs/dbraw/zinc/95/07/01/1047950701.db2.gz PNTMSHFCIAGVOF-UTYWTXRGSA-N 2 1 322.496 4.136 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652261 1047950707 /nfs/dbraw/zinc/95/07/07/1047950707.db2.gz PNTMSHFCIAGVOF-UTYWTXRGSA-N 2 1 322.496 4.136 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(CC)cc2)CC1 ZINC000482642877 1048651673 /nfs/dbraw/zinc/65/16/73/1048651673.db2.gz DAJOYGRUCLSOQS-FQEVSTJZSA-N 2 1 300.490 4.330 20 30 DIEDMP C=CC[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC001190589649 1048762498 /nfs/dbraw/zinc/76/24/98/1048762498.db2.gz RFAGUFDFEHRDOU-UHFFFAOYSA-N 2 1 314.517 4.228 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001177683367 1048927862 /nfs/dbraw/zinc/92/78/62/1048927862.db2.gz CCAJPVVTXVENBX-VOTSOKGWSA-N 2 1 312.501 4.255 20 30 DIEDMP C=CC[N@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001181044592 1049431475 /nfs/dbraw/zinc/43/14/75/1049431475.db2.gz WBUATALCFSTUGY-FQEVSTJZSA-N 2 1 300.490 4.043 20 30 DIEDMP C=CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181044592 1049431479 /nfs/dbraw/zinc/43/14/79/1049431479.db2.gz WBUATALCFSTUGY-FQEVSTJZSA-N 2 1 300.490 4.043 20 30 DIEDMP C=CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181044592 1049431483 /nfs/dbraw/zinc/43/14/83/1049431483.db2.gz WBUATALCFSTUGY-FQEVSTJZSA-N 2 1 300.490 4.043 20 30 DIEDMP CCCCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734282 1049546728 /nfs/dbraw/zinc/54/67/28/1049546728.db2.gz DBEVVMRSLSOJMW-INIZCTEOSA-N 2 1 304.469 4.433 20 30 DIEDMP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209162143 1050040886 /nfs/dbraw/zinc/04/08/86/1050040886.db2.gz RVKBWKQMYXKSQM-UHFFFAOYSA-N 2 1 304.503 4.002 20 30 DIEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161179 1050041115 /nfs/dbraw/zinc/04/11/15/1050041115.db2.gz INTYTAKJLUFOSX-UHOSZYNNSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161179 1050041119 /nfs/dbraw/zinc/04/11/19/1050041119.db2.gz INTYTAKJLUFOSX-UHOSZYNNSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209161179 1050041120 /nfs/dbraw/zinc/04/11/20/1050041120.db2.gz INTYTAKJLUFOSX-UHOSZYNNSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCCC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209199746 1050043990 /nfs/dbraw/zinc/04/39/90/1050043990.db2.gz AFMAUYVBNSYRSR-IBGZPJMESA-N 2 1 316.489 4.312 20 30 DIEDMP CCCCCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555753 1050541025 /nfs/dbraw/zinc/54/10/25/1050541025.db2.gz HQSLYGHKYOTHQT-HOTGVXAUSA-N 2 1 304.469 4.432 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975144 1051265417 /nfs/dbraw/zinc/26/54/17/1051265417.db2.gz LEIOWNJLGYKQQX-IBGZPJMESA-N 2 1 312.501 4.069 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975144 1051265427 /nfs/dbraw/zinc/26/54/27/1051265427.db2.gz LEIOWNJLGYKQQX-IBGZPJMESA-N 2 1 312.501 4.069 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068285 1051288483 /nfs/dbraw/zinc/28/84/83/1051288483.db2.gz PZACPLPIVZNANZ-WKCHPHFGSA-N 2 1 324.512 4.354 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068281 1051289174 /nfs/dbraw/zinc/28/91/74/1051289174.db2.gz PZACPLPIVZNANZ-MZADTFQBSA-N 2 1 324.512 4.354 20 30 DIEDMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172507447 1051425245 /nfs/dbraw/zinc/42/52/45/1051425245.db2.gz URDGMRZXGSIMPP-SFHVURJKSA-N 2 1 313.489 4.055 20 30 DIEDMP CCC(CC)[N@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173334209 1051696726 /nfs/dbraw/zinc/69/67/26/1051696726.db2.gz UJZVPWWZQPEGFZ-CTPABKKDSA-N 2 1 305.510 4.219 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000100019579 1053299003 /nfs/dbraw/zinc/29/90/03/1053299003.db2.gz PVDQBIRQBQYESL-LJQANCHMSA-N 2 1 318.505 4.207 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002566 1053568288 /nfs/dbraw/zinc/56/82/88/1053568288.db2.gz JSSBUGRPTMKNDZ-CYBMUJFWSA-N 2 1 310.844 4.170 20 30 DIEDMP N#CCC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001235662982 1054763221 /nfs/dbraw/zinc/76/32/21/1054763221.db2.gz GIMPTLOSXVPXBF-UHFFFAOYSA-N 2 1 317.521 4.095 20 30 DIEDMP C=CCCCCCCC[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553827 1055181352 /nfs/dbraw/zinc/18/13/52/1055181352.db2.gz TUGIRNLOTFUESO-WGSAOQKQSA-N 2 1 322.537 4.264 20 30 DIEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001278254130 1055693052 /nfs/dbraw/zinc/69/30/52/1055693052.db2.gz PXQLNMJNCGJTGJ-MRXNPFEDSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001278254130 1055693054 /nfs/dbraw/zinc/69/30/54/1055693054.db2.gz PXQLNMJNCGJTGJ-MRXNPFEDSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001278254130 1055693059 /nfs/dbraw/zinc/69/30/59/1055693059.db2.gz PXQLNMJNCGJTGJ-MRXNPFEDSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001278254130 1055693065 /nfs/dbraw/zinc/69/30/65/1055693065.db2.gz PXQLNMJNCGJTGJ-MRXNPFEDSA-N 2 1 318.427 4.083 20 30 DIEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256435 1057587678 /nfs/dbraw/zinc/58/76/78/1057587678.db2.gz PTBBFBRHNJAUDW-QGZVFWFLSA-N 2 1 321.468 4.203 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063563 1058658816 /nfs/dbraw/zinc/65/88/16/1058658816.db2.gz KTPXXDNJSTXQJR-FHWLQOOXSA-N 2 1 312.542 4.080 20 30 DIEDMP CCCCCCCC[C@H](O)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067626 1058659482 /nfs/dbraw/zinc/65/94/82/1058659482.db2.gz GBEJMDJUQDLSKZ-UFYCRDLUSA-N 2 1 324.553 4.080 20 30 DIEDMP CCCCCCC[N@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001278435687 1058740530 /nfs/dbraw/zinc/74/05/30/1058740530.db2.gz UVXQZMDUMDAYML-HXUWFJFHSA-N 2 1 322.537 4.066 20 30 DIEDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312187 1058819132 /nfs/dbraw/zinc/81/91/32/1058819132.db2.gz BEHDSCWVNSEPTI-NJDAHSKKSA-N 2 1 319.452 4.092 20 30 DIEDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312188 1058820095 /nfs/dbraw/zinc/82/00/95/1058820095.db2.gz BEHDSCWVNSEPTI-NJYVYQBISA-N 2 1 319.452 4.092 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246317951 1058831757 /nfs/dbraw/zinc/83/17/57/1058831757.db2.gz PFDRYNMREBVKAL-OKZBNKHCSA-N 2 1 316.489 4.213 20 30 DIEDMP CC(C)[C@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769154 1059072570 /nfs/dbraw/zinc/07/25/70/1059072570.db2.gz IMKDGJWBGYIOAR-RTBURBONSA-N 2 1 305.510 4.092 20 30 DIEDMP CC(C)[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769154 1059072590 /nfs/dbraw/zinc/07/25/90/1059072590.db2.gz IMKDGJWBGYIOAR-RTBURBONSA-N 2 1 305.510 4.092 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785349 1059085241 /nfs/dbraw/zinc/08/52/41/1059085241.db2.gz AFXBDJBKOPRPSF-RTBURBONSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785345 1059087056 /nfs/dbraw/zinc/08/70/56/1059087056.db2.gz AFXBDJBKOPRPSF-MOPGFXCFSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794933 1059096828 /nfs/dbraw/zinc/09/68/28/1059096828.db2.gz LHGYXTKKISELTQ-ACDBMABISA-N 2 1 300.490 4.374 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839912 1059118614 /nfs/dbraw/zinc/11/86/14/1059118614.db2.gz LFYRYBHCYIMICS-VXKWHMMOSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839912 1059118624 /nfs/dbraw/zinc/11/86/24/1059118624.db2.gz LFYRYBHCYIMICS-VXKWHMMOSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246945310 1059190502 /nfs/dbraw/zinc/19/05/02/1059190502.db2.gz GNCPYVLGAAHNAE-HNNXBMFYSA-N 2 1 306.881 4.249 20 30 DIEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246951144 1059194593 /nfs/dbraw/zinc/19/45/93/1059194593.db2.gz XYPMNWGZMRYSLO-PZJWPPBQSA-N 2 1 312.501 4.170 20 30 DIEDMP CCCCCCC[C@@H](C)[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955900 1059199582 /nfs/dbraw/zinc/19/95/82/1059199582.db2.gz VJGZMIFIKKBKNL-GOSISDBHSA-N 2 1 317.521 4.385 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955641 1059201786 /nfs/dbraw/zinc/20/17/86/1059201786.db2.gz MPWSOKHZXBFALV-INIZCTEOSA-N 2 1 304.453 4.043 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246962911 1059204080 /nfs/dbraw/zinc/20/40/80/1059204080.db2.gz WIJICXZZVAHOER-MRXNPFEDSA-N 2 1 304.453 4.043 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001473408893 1061144316 /nfs/dbraw/zinc/14/43/16/1061144316.db2.gz NFTQIJIKTZQVRV-TZIWHRDSSA-N 2 1 312.501 4.070 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001473408893 1061144323 /nfs/dbraw/zinc/14/43/23/1061144323.db2.gz NFTQIJIKTZQVRV-TZIWHRDSSA-N 2 1 312.501 4.070 20 30 DIEDMP C=CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)(C)C ZINC001473651598 1061316384 /nfs/dbraw/zinc/31/63/84/1061316384.db2.gz ZIGJPSGAKCPBAZ-UHFFFAOYSA-N 2 1 300.490 4.459 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252982345 1061772248 /nfs/dbraw/zinc/77/22/48/1061772248.db2.gz CACDZZTUFITLTQ-HXUWFJFHSA-N 2 1 324.553 4.048 20 30 DIEDMP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001255136029 1062331860 /nfs/dbraw/zinc/33/18/60/1062331860.db2.gz LQILGALFCGTBDR-MZADTFQBSA-N 2 1 322.496 4.108 20 30 DIEDMP CCC[C@H](CC)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253582 1063159436 /nfs/dbraw/zinc/15/94/36/1063159436.db2.gz QVSUGGCXWIICCH-UFYCRDLUSA-N 2 1 313.489 4.209 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001461056894 1063220476 /nfs/dbraw/zinc/22/04/76/1063220476.db2.gz OGKTXCDRQYSNCR-NQIIRXRSSA-N 2 1 312.501 4.294 20 30 DIEDMP CCCCCCCCCCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258052894 1063484279 /nfs/dbraw/zinc/48/42/79/1063484279.db2.gz UVSMJGJJNJNVRD-QZTJIDSGSA-N 2 1 323.525 4.227 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001258732525 1063780927 /nfs/dbraw/zinc/78/09/27/1063780927.db2.gz MSKAYJLMGJPKLI-GOSISDBHSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001258735585 1063784521 /nfs/dbraw/zinc/78/45/21/1063784521.db2.gz XGSHXIIRIFRHCH-GOSISDBHSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308488686 1066023125 /nfs/dbraw/zinc/02/31/25/1066023125.db2.gz PTEGLQHGXRMVBM-QCFAMHMHSA-N 2 1 312.501 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)CCc2ccccc2)CC1 ZINC000527858283 337769606 /nfs/dbraw/zinc/76/96/06/337769606.db2.gz JGAHTSZODJEIFO-LJQANCHMSA-N 2 1 300.490 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CCC)c2ccccc2)CC1 ZINC000537301844 337929818 /nfs/dbraw/zinc/92/98/18/337929818.db2.gz MPLRWEWANZUYLR-IBGZPJMESA-N 2 1 300.490 4.200 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436244876 338263178 /nfs/dbraw/zinc/26/31/78/338263178.db2.gz SEMVMRSOTRNUJN-PZJWPPBQSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000468366288 339260685 /nfs/dbraw/zinc/26/06/85/339260685.db2.gz FEKJXATYYGTAEB-FPOVZHCZSA-N 2 1 312.501 4.028 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474713521 339423343 /nfs/dbraw/zinc/42/33/43/339423343.db2.gz XVOPNKCHVFUISL-IBGZPJMESA-N 2 1 300.490 4.056 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(CCC)cc2)CC1 ZINC000482647536 339638876 /nfs/dbraw/zinc/63/88/76/339638876.db2.gz KNVLYKKYMFMVOE-KRWDZBQOSA-N 2 1 300.490 4.330 20 30 DIEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650036 340371018 /nfs/dbraw/zinc/37/10/18/340371018.db2.gz WNRAZXWDGHUDAX-JKSUJKDBSA-N 2 1 317.452 4.003 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000550855981 341324496 /nfs/dbraw/zinc/32/44/96/341324496.db2.gz GJGSYZDRBANGSZ-PKOBYXMFSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000550855981 341324497 /nfs/dbraw/zinc/32/44/97/341324497.db2.gz GJGSYZDRBANGSZ-PKOBYXMFSA-N 2 1 300.490 4.089 20 30 DIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009180 341329177 /nfs/dbraw/zinc/32/91/77/341329177.db2.gz QTPIMQWWEOOCGQ-NDXORKPFSA-N 2 1 319.452 4.044 20 30 DIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009180 341329178 /nfs/dbraw/zinc/32/91/78/341329178.db2.gz QTPIMQWWEOOCGQ-NDXORKPFSA-N 2 1 319.452 4.044 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209442280 1036188371 /nfs/dbraw/zinc/18/83/71/1036188371.db2.gz PJFARHLDQMCCBE-UHFFFAOYSA-N 2 1 322.537 4.088 20 30 DIEDMP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398026393 1037096062 /nfs/dbraw/zinc/09/60/62/1037096062.db2.gz MCVPXFFLSCAMNA-QUCCMNQESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398026393 1037096081 /nfs/dbraw/zinc/09/60/81/1037096081.db2.gz MCVPXFFLSCAMNA-QUCCMNQESA-N 2 1 300.490 4.233 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236690062 1040645112 /nfs/dbraw/zinc/64/51/12/1040645112.db2.gz NYGOQCOVVCHQJC-UHFFFAOYSA-N 2 1 313.272 4.124 20 30 DIEDMP N#CCCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132913 1042698550 /nfs/dbraw/zinc/69/85/50/1042698550.db2.gz PUAOEPOCUOMPOT-AABGKKOBSA-N 2 1 305.425 4.156 20 30 DIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000173915302 1043055417 /nfs/dbraw/zinc/05/54/17/1043055417.db2.gz UFXICQYVGXQLCT-KRWDZBQOSA-N 2 1 321.468 4.249 20 30 DIEDMP C#CC(CC)(CC)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168004898 1043239478 /nfs/dbraw/zinc/23/94/78/1043239478.db2.gz BLJRNRDCCPZMTI-QZTJIDSGSA-N 2 1 312.501 4.210 20 30 DIEDMP C=C(C)C[N@@H+](CC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059778 1044329444 /nfs/dbraw/zinc/32/94/44/1044329444.db2.gz HCNHTBRHJSBAGJ-QZTJIDSGSA-N 2 1 300.490 4.326 20 30 DIEDMP C=C(C)C[N@H+](CC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059778 1044329458 /nfs/dbraw/zinc/32/94/58/1044329458.db2.gz HCNHTBRHJSBAGJ-QZTJIDSGSA-N 2 1 300.490 4.326 20 30 DIEDMP C#Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000368030989 1044763126 /nfs/dbraw/zinc/76/31/26/1044763126.db2.gz RESXMZWESJCCTP-MRXNPFEDSA-N 2 1 315.420 4.013 20 30 DIEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000153677722 1045059796 /nfs/dbraw/zinc/05/97/96/1045059796.db2.gz ZNFYUHHIBBEZBR-MRXNPFEDSA-N 2 1 311.473 4.006 20 30 DIEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447535583 1045141768 /nfs/dbraw/zinc/14/17/68/1045141768.db2.gz HFSJVUIZIIBQIZ-YLJYHZDGSA-N 2 1 313.489 4.254 20 30 DIEDMP C=CCC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034222 1045199980 /nfs/dbraw/zinc/19/99/80/1045199980.db2.gz WPFDWDKDJDGTLR-WOJBJXKFSA-N 2 1 324.468 4.399 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034222 1045199998 /nfs/dbraw/zinc/19/99/98/1045199998.db2.gz WPFDWDKDJDGTLR-WOJBJXKFSA-N 2 1 324.468 4.399 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925136433 1045229587 /nfs/dbraw/zinc/22/95/87/1045229587.db2.gz OSTUPTGMXZOYAB-INMHGKMJSA-N 2 1 319.518 4.049 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925136433 1045229596 /nfs/dbraw/zinc/22/95/96/1045229596.db2.gz OSTUPTGMXZOYAB-INMHGKMJSA-N 2 1 319.518 4.049 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482627539 1048648193 /nfs/dbraw/zinc/64/81/93/1048648193.db2.gz HVUGHSJEUBNPFN-OAQYLSRUSA-N 2 1 314.517 4.192 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2SC)CC1 ZINC000194886336 1048946262 /nfs/dbraw/zinc/94/62/62/1048946262.db2.gz DHALNRRJEMHJHT-HNNXBMFYSA-N 2 1 304.503 4.100 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194886336 1048946266 /nfs/dbraw/zinc/94/62/66/1048946266.db2.gz DHALNRRJEMHJHT-HNNXBMFYSA-N 2 1 304.503 4.100 20 30 DIEDMP CCCCCCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001204646013 1049210444 /nfs/dbraw/zinc/21/04/44/1049210444.db2.gz GSJVKPVRNBMCAZ-UHFFFAOYSA-N 2 1 318.505 4.349 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094710 1049374408 /nfs/dbraw/zinc/37/44/08/1049374408.db2.gz OHTCLAMRNOEPDW-IBGZPJMESA-N 2 1 318.505 4.349 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094711 1049374716 /nfs/dbraw/zinc/37/47/16/1049374716.db2.gz OHTCLAMRNOEPDW-LJQANCHMSA-N 2 1 318.505 4.349 20 30 DIEDMP C[NH+]1CCC(C)(C[N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001208106928 1049974033 /nfs/dbraw/zinc/97/40/33/1049974033.db2.gz LPOIBJVCCOOGPN-UHFFFAOYSA-N 2 1 305.510 4.047 20 30 DIEDMP CCCCCCC/C=C/C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001208119167 1049975034 /nfs/dbraw/zinc/97/50/34/1049975034.db2.gz XJYSOIIHKYPULG-ZHACJKMWSA-N 2 1 321.509 4.033 20 30 DIEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209161180 1050040530 /nfs/dbraw/zinc/04/05/30/1050040530.db2.gz INTYTAKJLUFOSX-WDSOQIARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209161180 1050040533 /nfs/dbraw/zinc/04/05/33/1050040533.db2.gz INTYTAKJLUFOSX-WDSOQIARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209161180 1050040538 /nfs/dbraw/zinc/04/05/38/1050040538.db2.gz INTYTAKJLUFOSX-WDSOQIARSA-N 2 1 318.530 4.247 20 30 DIEDMP C=CCCCC[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001209202181 1050044064 /nfs/dbraw/zinc/04/40/64/1050044064.db2.gz BIENLIQWYAFCLQ-UHFFFAOYSA-N 2 1 300.490 4.329 20 30 DIEDMP C#CCCC[NH+]1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001209267211 1050049780 /nfs/dbraw/zinc/04/97/80/1050049780.db2.gz MMZOSTGGDVCSAG-UHFFFAOYSA-N 2 1 324.512 4.086 20 30 DIEDMP C=CCCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209423637 1050057856 /nfs/dbraw/zinc/05/78/56/1050057856.db2.gz BEKFWYCXVOHMIH-UHFFFAOYSA-N 2 1 316.489 4.314 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000773113855 1051067046 /nfs/dbraw/zinc/06/70/46/1051067046.db2.gz GBQHNQRRTOSZSD-QFIPXVFZSA-N 2 1 318.464 4.005 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975146 1051263964 /nfs/dbraw/zinc/26/39/64/1051263964.db2.gz LEIOWNJLGYKQQX-LJQANCHMSA-N 2 1 312.501 4.069 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975146 1051263973 /nfs/dbraw/zinc/26/39/73/1051263973.db2.gz LEIOWNJLGYKQQX-LJQANCHMSA-N 2 1 312.501 4.069 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076685 1051279802 /nfs/dbraw/zinc/27/98/02/1051279802.db2.gz KZLFSGFPPNPESP-MZADTFQBSA-N 2 1 324.512 4.211 20 30 DIEDMP CC(C)(C)C#CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076685 1051279815 /nfs/dbraw/zinc/27/98/15/1051279815.db2.gz KZLFSGFPPNPESP-MZADTFQBSA-N 2 1 324.512 4.211 20 30 DIEDMP C[N@@H+](C1CCC(CC#N)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001173339250 1051699045 /nfs/dbraw/zinc/69/90/45/1051699045.db2.gz DTYMRKSPJUENBU-UHFFFAOYSA-N 2 1 317.521 4.188 20 30 DIEDMP CC1(C#N)CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590994 1051755001 /nfs/dbraw/zinc/75/50/01/1051755001.db2.gz GKCHVCGDIDHCBD-CAAWEGIDSA-N 2 1 317.521 4.363 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691609 1052060854 /nfs/dbraw/zinc/06/08/54/1052060854.db2.gz JKOYZKKHJUUZDE-CQSZACIVSA-N 2 1 322.880 4.045 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433671 1052345990 /nfs/dbraw/zinc/34/59/90/1052345990.db2.gz PEVWTZYATOHJOV-CGBFIWBNSA-N 2 1 300.490 4.087 20 30 DIEDMP CCCCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595580 1052515075 /nfs/dbraw/zinc/51/50/75/1052515075.db2.gz DEGKBNGRHHKTMV-LJQANCHMSA-N 2 1 300.490 4.036 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405891 1053401710 /nfs/dbraw/zinc/40/17/10/1053401710.db2.gz WGDMULFZFNXYEQ-IBGZPJMESA-N 2 1 316.489 4.085 20 30 DIEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000382018274 1055197142 /nfs/dbraw/zinc/19/71/42/1055197142.db2.gz WVHJTDDLYFSAER-AZUAARDMSA-N 2 1 300.490 4.233 20 30 DIEDMP CCCC[N@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237882352 1055547318 /nfs/dbraw/zinc/54/73/18/1055547318.db2.gz PEGHQHFNKLCVFX-UHFFFAOYSA-N 2 1 311.473 4.204 20 30 DIEDMP CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237882352 1055547330 /nfs/dbraw/zinc/54/73/30/1055547330.db2.gz PEGHQHFNKLCVFX-UHFFFAOYSA-N 2 1 311.473 4.204 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001620742720 1055990247 /nfs/dbraw/zinc/99/02/47/1055990247.db2.gz UKPDBZHBWVKTIM-NVXWUHKLSA-N 2 1 313.420 4.154 20 30 DIEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399806 1057018120 /nfs/dbraw/zinc/01/81/20/1057018120.db2.gz FGBBAMVNAJGSME-QGZVFWFLSA-N 2 1 313.489 4.063 20 30 DIEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242678151 1057444464 /nfs/dbraw/zinc/44/44/64/1057444464.db2.gz ZFKPWQYBXFDEGZ-NRFANRHFSA-N 2 1 304.437 4.280 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244326291 1057934173 /nfs/dbraw/zinc/93/41/73/1057934173.db2.gz HCRSQWMBQOTCKA-NRFANRHFSA-N 2 1 322.452 4.014 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319300 1058829816 /nfs/dbraw/zinc/82/98/16/1058829816.db2.gz VRLKVMRVFAHMAB-TXPKVOOTSA-N 2 1 316.489 4.069 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319297 1058831397 /nfs/dbraw/zinc/83/13/97/1058831397.db2.gz VRLKVMRVFAHMAB-FCEWJHQRSA-N 2 1 316.489 4.069 20 30 DIEDMP CCCCCCCCCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542856 1058992251 /nfs/dbraw/zinc/99/22/51/1058992251.db2.gz LSYJESMSZPNIGY-RTBURBONSA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCCC[C@@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246550156 1058998600 /nfs/dbraw/zinc/99/86/00/1058998600.db2.gz JFBAEQPISGIQJK-RTBURBONSA-N 2 1 312.542 4.081 20 30 DIEDMP N#CCC[N@@H+]([C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770774 1059071349 /nfs/dbraw/zinc/07/13/49/1059071349.db2.gz SKHHMKXQULLEJV-WOJBJXKFSA-N 2 1 317.521 4.237 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796291 1059103009 /nfs/dbraw/zinc/10/30/09/1059103009.db2.gz PSIJNSFYAXRXAR-UXHICEINSA-N 2 1 300.490 4.376 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838029 1059118871 /nfs/dbraw/zinc/11/88/71/1059118871.db2.gz ACJBVCNSQCKJSL-RTWAWAEBSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838029 1059118885 /nfs/dbraw/zinc/11/88/85/1059118885.db2.gz ACJBVCNSQCKJSL-RTWAWAEBSA-N 2 1 306.453 4.168 20 30 DIEDMP CCCCCCCCCCCC[N@@H+](C)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246863246 1059137035 /nfs/dbraw/zinc/13/70/35/1059137035.db2.gz YBWYCVGIEGWDGY-IBGZPJMESA-N 2 1 324.553 4.360 20 30 DIEDMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890687 1059153870 /nfs/dbraw/zinc/15/38/70/1059153870.db2.gz KCRUZRICXCIMGM-QZTJIDSGSA-N 2 1 321.468 4.119 20 30 DIEDMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890688 1059154059 /nfs/dbraw/zinc/15/40/59/1059154059.db2.gz KCRUZRICXCIMGM-ROUUACIJSA-N 2 1 321.468 4.119 20 30 DIEDMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890397 1059155258 /nfs/dbraw/zinc/15/52/58/1059155258.db2.gz KCRUZRICXCIMGM-MSOLQXFVSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CC[N@@H+]([C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922060 1059177205 /nfs/dbraw/zinc/17/72/05/1059177205.db2.gz UXRAVSUBOOUNQG-AEFFLSMTSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922060 1059177218 /nfs/dbraw/zinc/17/72/18/1059177218.db2.gz UXRAVSUBOOUNQG-AEFFLSMTSA-N 2 1 304.453 4.214 20 30 DIEDMP CCCCCCC[C@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949809 1059195275 /nfs/dbraw/zinc/19/52/75/1059195275.db2.gz LTQOYGIRFWBLBP-SFHVURJKSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966280 1059212057 /nfs/dbraw/zinc/21/20/57/1059212057.db2.gz VXSOMIAKAGXTME-INIZCTEOSA-N 2 1 304.453 4.043 20 30 DIEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246977892 1059221205 /nfs/dbraw/zinc/22/12/05/1059221205.db2.gz RKFGMVYUUJQBPW-VQTJNVASSA-N 2 1 323.569 4.013 20 30 DIEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246977894 1059222228 /nfs/dbraw/zinc/22/22/28/1059222228.db2.gz RKFGMVYUUJQBPW-WOJBJXKFSA-N 2 1 323.569 4.013 20 30 DIEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246977889 1059222816 /nfs/dbraw/zinc/22/28/16/1059222816.db2.gz RKFGMVYUUJQBPW-UXHICEINSA-N 2 1 323.569 4.013 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462508539 1061218786 /nfs/dbraw/zinc/21/87/86/1061218786.db2.gz OCBBIUSDDLMEFD-HOJAQTOUSA-N 2 1 300.490 4.089 20 30 DIEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001252121848 1061581267 /nfs/dbraw/zinc/58/12/67/1061581267.db2.gz MRIVNNIQAQSFCO-HXUWFJFHSA-N 2 1 324.553 4.048 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148641 1062338005 /nfs/dbraw/zinc/33/80/05/1062338005.db2.gz YAQQOQAQDKRHPO-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148641 1062338022 /nfs/dbraw/zinc/33/80/22/1062338022.db2.gz YAQQOQAQDKRHPO-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148641 1062338045 /nfs/dbraw/zinc/33/80/45/1062338045.db2.gz YAQQOQAQDKRHPO-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460542691 1062904589 /nfs/dbraw/zinc/90/45/89/1062904589.db2.gz KZKXFXWDLRFRID-FQEVSTJZSA-N 2 1 312.501 4.185 20 30 DIEDMP CCCCCCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049317 1063482828 /nfs/dbraw/zinc/48/28/28/1063482828.db2.gz FCVLJTZYBMZILD-AZUAARDMSA-N 2 1 324.553 4.311 20 30 DIEDMP C=CCC[C@H](C)[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722636 1063776881 /nfs/dbraw/zinc/77/68/81/1063776881.db2.gz LKSXNFKSVNOAFZ-WDSOQIARSA-N 2 1 316.489 4.122 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001258728070 1063781122 /nfs/dbraw/zinc/78/11/22/1063781122.db2.gz MAHUWDKPZSTKEH-HKUYNNGSSA-N 2 1 316.489 4.311 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001258728889 1063782485 /nfs/dbraw/zinc/78/24/85/1063782485.db2.gz RCUXVDIYEFWECX-KRWDZBQOSA-N 2 1 318.530 4.391 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001258733477 1063783824 /nfs/dbraw/zinc/78/38/24/1063783824.db2.gz GTLQZUXSGKOJRZ-INIZCTEOSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001258733477 1063783836 /nfs/dbraw/zinc/78/38/36/1063783836.db2.gz GTLQZUXSGKOJRZ-INIZCTEOSA-N 2 1 304.453 4.077 20 30 DIEDMP C#CCCC[N@@H+]1CCCC2(C[NH+](C[C@@H](CC)CCCC)C2)C1 ZINC001279239336 1064337320 /nfs/dbraw/zinc/33/73/20/1064337320.db2.gz RIJSNLALQVNLKG-IBGZPJMESA-N 2 1 304.522 4.014 20 30 DIEDMP C=CCCC[N@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308133092 1065773986 /nfs/dbraw/zinc/77/39/86/1065773986.db2.gz AMKYPXBIICNNDY-UHFFFAOYSA-N 2 1 300.490 4.461 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001308246802 1065853029 /nfs/dbraw/zinc/85/30/29/1065853029.db2.gz GCNZJFHWAZZIBT-VOTSOKGWSA-N 2 1 312.501 4.255 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000518287182 332007326 /nfs/dbraw/zinc/00/73/26/332007326.db2.gz RXVBMOWICGLOOJ-UHFFFAOYSA-N 2 1 320.480 4.484 20 30 DIEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460420 333086544 /nfs/dbraw/zinc/08/65/44/333086544.db2.gz JPSJUERFWROORY-WBVHZDCISA-N 2 1 319.518 4.051 20 30 DIEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460420 333086545 /nfs/dbraw/zinc/08/65/45/333086545.db2.gz JPSJUERFWROORY-WBVHZDCISA-N 2 1 319.518 4.051 20 30 DIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357987 333298298 /nfs/dbraw/zinc/29/82/98/333298298.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000364357987 333298300 /nfs/dbraw/zinc/29/83/00/333298300.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000364357987 333298301 /nfs/dbraw/zinc/29/83/01/333298301.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 2 1 319.537 4.293 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421837052 337652500 /nfs/dbraw/zinc/65/25/00/337652500.db2.gz RXLQXBGYGPKAMN-AWEZNQCLSA-N 2 1 324.871 4.040 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449183636 338600192 /nfs/dbraw/zinc/60/01/92/338600192.db2.gz DSNNIWCTTOXWBO-IJNIYJAUSA-N 2 1 322.456 4.304 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2)CC1 ZINC000467854909 339247833 /nfs/dbraw/zinc/24/78/33/339247833.db2.gz WPWJBBCRLDNCAH-GOSISDBHSA-N 2 1 306.881 4.421 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550855456 341324532 /nfs/dbraw/zinc/32/45/32/341324532.db2.gz JCVOMDDZGUBRGG-ACDBMABISA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000550855978 341324543 /nfs/dbraw/zinc/32/45/43/341324543.db2.gz GJGSYZDRBANGSZ-HKUYNNGSSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000550855978 341324544 /nfs/dbraw/zinc/32/45/44/341324544.db2.gz GJGSYZDRBANGSZ-HKUYNNGSSA-N 2 1 300.490 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334268 341424804 /nfs/dbraw/zinc/42/48/04/341424804.db2.gz QELXLZPISGJGLZ-FQEVSTJZSA-N 2 1 316.489 4.022 20 30 DIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181495395 519630984 /nfs/dbraw/zinc/63/09/84/519630984.db2.gz KHZHDRKWZUALCP-QGZVFWFLSA-N 2 1 321.468 4.249 20 30 DIEDMP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398026390 1037095117 /nfs/dbraw/zinc/09/51/17/1037095117.db2.gz MCVPXFFLSCAMNA-ICSRJNTNSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398026390 1037095135 /nfs/dbraw/zinc/09/51/35/1037095135.db2.gz MCVPXFFLSCAMNA-ICSRJNTNSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398027096 1037097628 /nfs/dbraw/zinc/09/76/28/1037097628.db2.gz MCVPXFFLSCAMNA-UYAOXDASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398027096 1037097642 /nfs/dbraw/zinc/09/76/42/1037097642.db2.gz MCVPXFFLSCAMNA-UYAOXDASSA-N 2 1 300.490 4.233 20 30 DIEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000342284585 1038518202 /nfs/dbraw/zinc/51/82/02/1038518202.db2.gz RBRWSSANROEZOT-UHFFFAOYSA-N 2 1 315.505 4.064 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329293 1039026777 /nfs/dbraw/zinc/02/67/77/1039026777.db2.gz XTEBBPPTMOMSMP-CYBMUJFWSA-N 2 1 310.844 4.170 20 30 DIEDMP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998014 1041747423 /nfs/dbraw/zinc/74/74/23/1041747423.db2.gz UJXJUUJYMDHMGL-DENIHFKCSA-N 2 1 320.480 4.200 20 30 DIEDMP CC(C)C[N@@H+](CCCCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879703595 1043980709 /nfs/dbraw/zinc/98/07/09/1043980709.db2.gz PLNPUDJXUNUYHA-UHFFFAOYSA-N 2 1 307.526 4.006 20 30 DIEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288074 1044345614 /nfs/dbraw/zinc/34/56/14/1044345614.db2.gz QUARZUWJDDXTDG-UXHICEINSA-N 2 1 300.490 4.233 20 30 DIEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000444630400 1044579364 /nfs/dbraw/zinc/57/93/64/1044579364.db2.gz ZZNWEBHUBPUFEU-IBGZPJMESA-N 2 1 319.537 4.294 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)CCc2ccccc2)CC1 ZINC000527858281 1045270212 /nfs/dbraw/zinc/27/02/12/1045270212.db2.gz JGAHTSZODJEIFO-IBGZPJMESA-N 2 1 300.490 4.028 20 30 DIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449101733 1045346326 /nfs/dbraw/zinc/34/63/26/1045346326.db2.gz VGUXJSGXYRXLKQ-UHFFFAOYSA-N 2 1 313.489 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000531720294 1045911380 /nfs/dbraw/zinc/91/13/80/1045911380.db2.gz KDQIQGUHKKWLOR-QRWLVFNGSA-N 2 1 316.464 4.079 20 30 DIEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344787 1046985273 /nfs/dbraw/zinc/98/52/73/1046985273.db2.gz ZGUSTQVNQPTFFQ-AQNXPRMDSA-N 2 1 300.490 4.056 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000120738268 1047499611 /nfs/dbraw/zinc/49/96/11/1047499611.db2.gz CPRGYNASVSMPRH-VQIMIIECSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000120738268 1047499618 /nfs/dbraw/zinc/49/96/18/1047499618.db2.gz CPRGYNASVSMPRH-VQIMIIECSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000121351695 1047518576 /nfs/dbraw/zinc/51/85/76/1047518576.db2.gz HZZLBGZNUITMKP-JENIJYKNSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000121351695 1047518583 /nfs/dbraw/zinc/51/85/83/1047518583.db2.gz HZZLBGZNUITMKP-JENIJYKNSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001199295143 1048054072 /nfs/dbraw/zinc/05/40/72/1048054072.db2.gz FWFKGUJOOTUTCX-FXAWDEMLSA-N 2 1 300.490 4.361 20 30 DIEDMP CCC1([NH+]2CCCC2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001175157338 1048146961 /nfs/dbraw/zinc/14/69/61/1048146961.db2.gz WLBNGGZNSSVDAN-UHFFFAOYSA-N 2 1 317.521 4.191 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001200942364 1048167334 /nfs/dbraw/zinc/16/73/34/1048167334.db2.gz OULCICDDXKPJCX-QWFCFKBJSA-N 2 1 300.490 4.231 20 30 DIEDMP CCCCCCCCCN1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201847346 1048389199 /nfs/dbraw/zinc/38/91/99/1048389199.db2.gz VFZREFIDOIBYJI-FQEVSTJZSA-N 2 1 324.553 4.312 20 30 DIEDMP CCCCCCCCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201847346 1048389220 /nfs/dbraw/zinc/38/92/20/1048389220.db2.gz VFZREFIDOIBYJI-FQEVSTJZSA-N 2 1 324.553 4.312 20 30 DIEDMP C=C1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001203603086 1048938726 /nfs/dbraw/zinc/93/87/26/1048938726.db2.gz MMWXRFPOXMUDPH-UHFFFAOYSA-N 2 1 312.501 4.030 20 30 DIEDMP C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC001194051506 1049309395 /nfs/dbraw/zinc/30/93/95/1049309395.db2.gz FDAQKFYRDICFQY-UHFFFAOYSA-N 2 1 317.436 4.451 20 30 DIEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC000859213315 1049319482 /nfs/dbraw/zinc/31/94/82/1049319482.db2.gz VHVAKHFMDOVFBL-UHFFFAOYSA-N 2 1 313.489 4.044 20 30 DIEDMP C=CCCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294735 1049877278 /nfs/dbraw/zinc/87/72/78/1049877278.db2.gz RSAYYQHEKUUSBO-UHFFFAOYSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209428893 1050057394 /nfs/dbraw/zinc/05/73/94/1050057394.db2.gz ORRYCLRKJJGKBM-FQEVSTJZSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209428893 1050057399 /nfs/dbraw/zinc/05/73/99/1050057399.db2.gz ORRYCLRKJJGKBM-FQEVSTJZSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000793542519 1051315442 /nfs/dbraw/zinc/31/54/42/1051315442.db2.gz UVBJPWSNOFHWPR-LJQANCHMSA-N 2 1 322.537 4.136 20 30 DIEDMP C[C@@H](CCCC#N)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488994 1051417255 /nfs/dbraw/zinc/41/72/55/1051417255.db2.gz XUOPIXPEHWEUFR-WDSOQIARSA-N 2 1 305.510 4.221 20 30 DIEDMP CCC(CC)[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173590789 1051754920 /nfs/dbraw/zinc/75/49/20/1051754920.db2.gz CILYRLYDTBHUKL-VHQLZKCGSA-N 2 1 305.510 4.219 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SCC)CC1 ZINC000152980385 1053563303 /nfs/dbraw/zinc/56/33/03/1053563303.db2.gz PBCMARGOTQMSOC-INIZCTEOSA-N 2 1 318.530 4.490 20 30 DIEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092943 1054653533 /nfs/dbraw/zinc/65/35/33/1054653533.db2.gz XWRXUZREUABOIY-INIZCTEOSA-N 2 1 302.453 4.058 20 30 DIEDMP C=CCCCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349587 1054706318 /nfs/dbraw/zinc/70/63/18/1054706318.db2.gz RKAHKTVSYFJKLA-NHCUHLMSSA-N 2 1 312.501 4.202 20 30 DIEDMP CCCCCCC[N@@H+](C)Cc1sc(C2CC[NH2+]CC2)nc1C ZINC001235662599 1054765013 /nfs/dbraw/zinc/76/50/13/1054765013.db2.gz JRKFRSMSSAAKCP-UHFFFAOYSA-N 2 1 323.550 4.321 20 30 DIEDMP C=CCCCCCCC[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236446579 1055117586 /nfs/dbraw/zinc/11/75/86/1055117586.db2.gz BVLCJDNZCWEBLA-UHFFFAOYSA-N 2 1 315.505 4.162 20 30 DIEDMP C=CCCCCCCC[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236446579 1055117588 /nfs/dbraw/zinc/11/75/88/1055117588.db2.gz BVLCJDNZCWEBLA-UHFFFAOYSA-N 2 1 315.505 4.162 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236543423 1055173253 /nfs/dbraw/zinc/17/32/53/1055173253.db2.gz RMLHMRZLRGDYDW-WGSAOQKQSA-N 2 1 316.489 4.123 20 30 DIEDMP CCC(CC)[N@@H+](Cc1ccc(C)cc1C#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791661 1055261055 /nfs/dbraw/zinc/26/10/55/1055261055.db2.gz XZGOYNPSKWHTQX-KESTWPANSA-N 2 1 313.489 4.127 20 30 DIEDMP CCCCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275029 1055412506 /nfs/dbraw/zinc/41/25/06/1055412506.db2.gz JHMKYJZGCKMRSK-UHFFFAOYSA-N 2 1 300.490 4.094 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282335353 1056908193 /nfs/dbraw/zinc/90/81/93/1056908193.db2.gz OLOBDCBQZHARDC-FAEJEUNOSA-N 2 1 322.456 4.161 20 30 DIEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001241250856 1056980659 /nfs/dbraw/zinc/98/06/59/1056980659.db2.gz BTSSOZRPBIZABL-FQEVSTJZSA-N 2 1 321.468 4.446 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001241250856 1056980663 /nfs/dbraw/zinc/98/06/63/1056980663.db2.gz BTSSOZRPBIZABL-FQEVSTJZSA-N 2 1 321.468 4.446 20 30 DIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C[NH2+]C)cc2)cc1 ZINC001242994896 1057540246 /nfs/dbraw/zinc/54/02/46/1057540246.db2.gz UJIWMSXMDXSNCX-NRFANRHFSA-N 2 1 306.453 4.396 20 30 DIEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025702 1058657140 /nfs/dbraw/zinc/65/71/40/1058657140.db2.gz ZIJZINYKOSDVPD-MOPGFXCFSA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCCC[C@@H](O)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071298 1058662159 /nfs/dbraw/zinc/66/21/59/1058662159.db2.gz RNRTVJAXGCRGHT-MISYRCLQSA-N 2 1 324.553 4.222 20 30 DIEDMP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246235504 1058756010 /nfs/dbraw/zinc/75/60/10/1058756010.db2.gz ZMYQUVLQYSLLNX-MJGOQNOKSA-N 2 1 306.469 4.487 20 30 DIEDMP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246235502 1058757892 /nfs/dbraw/zinc/75/78/92/1058757892.db2.gz ZMYQUVLQYSLLNX-IEBWSBKVSA-N 2 1 306.469 4.487 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316676 1058824727 /nfs/dbraw/zinc/82/47/27/1058824727.db2.gz JFYGCZGAEJXLDM-FJIDUMEYSA-N 2 1 316.489 4.211 20 30 DIEDMP N#CCC[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001246771756 1059074746 /nfs/dbraw/zinc/07/47/46/1059074746.db2.gz ZILTVQAQQLQVSD-IBGZPJMESA-N 2 1 317.521 4.237 20 30 DIEDMP N#CCC[N@@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770769 1059075579 /nfs/dbraw/zinc/07/55/79/1059075579.db2.gz SKHHMKXQULLEJV-UXHICEINSA-N 2 1 317.521 4.237 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796293 1059103280 /nfs/dbraw/zinc/10/32/80/1059103280.db2.gz PSIJNSFYAXRXAR-WOJBJXKFSA-N 2 1 300.490 4.376 20 30 DIEDMP CCCCCCC[C@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246837214 1059114464 /nfs/dbraw/zinc/11/44/64/1059114464.db2.gz RKBJAJVUQRFIIF-SFHVURJKSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246868651 1059142459 /nfs/dbraw/zinc/14/24/59/1059142459.db2.gz CONIMIAPBPWGMV-MJGOQNOKSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246868651 1059142470 /nfs/dbraw/zinc/14/24/70/1059142470.db2.gz CONIMIAPBPWGMV-MJGOQNOKSA-N 2 1 304.453 4.215 20 30 DIEDMP CCCCCCCCC[C@H](C)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246979703 1059220789 /nfs/dbraw/zinc/22/07/89/1059220789.db2.gz ZTVCRYPWTYCTBS-ICSRJNTNSA-N 2 1 323.569 4.013 20 30 DIEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246977885 1059224569 /nfs/dbraw/zinc/22/45/69/1059224569.db2.gz RKFGMVYUUJQBPW-PMACEKPBSA-N 2 1 323.569 4.013 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001559577223 1059411411 /nfs/dbraw/zinc/41/14/11/1059411411.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001559577223 1059411429 /nfs/dbraw/zinc/41/14/29/1059411429.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001559577223 1059411443 /nfs/dbraw/zinc/41/14/43/1059411443.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462508547 1061220154 /nfs/dbraw/zinc/22/01/54/1061220154.db2.gz OCBBIUSDDLMEFD-SXLOBPIMSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CC[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)(C)C ZINC001255149064 1062335832 /nfs/dbraw/zinc/33/58/32/1062335832.db2.gz FAKPMWIOOVQDBH-PMOLBWCYSA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)(C)C ZINC001255149064 1062335858 /nfs/dbraw/zinc/33/58/58/1062335858.db2.gz FAKPMWIOOVQDBH-PMOLBWCYSA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC001255149064 1062335882 /nfs/dbraw/zinc/33/58/82/1062335882.db2.gz FAKPMWIOOVQDBH-PMOLBWCYSA-N 2 1 312.501 4.469 20 30 DIEDMP C=CC[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC001255149064 1062335904 /nfs/dbraw/zinc/33/59/04/1062335904.db2.gz FAKPMWIOOVQDBH-PMOLBWCYSA-N 2 1 312.501 4.469 20 30 DIEDMP CCCCCCC[N@@H+](CC)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860651 1063021205 /nfs/dbraw/zinc/02/12/05/1063021205.db2.gz HFALUCUZLFNCDH-UHFFFAOYSA-N 2 1 303.494 4.343 20 30 DIEDMP CCC[C@@H](CC)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253585 1063160256 /nfs/dbraw/zinc/16/02/56/1063160256.db2.gz QVSUGGCXWIICCH-VAMGGRTRSA-N 2 1 313.489 4.209 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258004120 1063457670 /nfs/dbraw/zinc/45/76/70/1063457670.db2.gz CJSLBQUQJYRNIM-KRWDZBQOSA-N 2 1 316.489 4.022 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001258721954 1063776807 /nfs/dbraw/zinc/77/68/07/1063776807.db2.gz JNPHZRNYVISWRQ-SREGSLNRSA-N 2 1 312.501 4.469 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001258732526 1063781832 /nfs/dbraw/zinc/78/18/32/1063781832.db2.gz MSKAYJLMGJPKLI-SFHVURJKSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736727 1063785072 /nfs/dbraw/zinc/78/50/72/1063785072.db2.gz ZMRMAZWXCGYCDB-JBACZVJFSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736727 1063785085 /nfs/dbraw/zinc/78/50/85/1063785085.db2.gz ZMRMAZWXCGYCDB-JBACZVJFSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001258736727 1063785100 /nfs/dbraw/zinc/78/51/00/1063785100.db2.gz ZMRMAZWXCGYCDB-JBACZVJFSA-N 2 1 312.501 4.185 20 30 DIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357988 333298459 /nfs/dbraw/zinc/29/84/59/333298459.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000364357988 333298460 /nfs/dbraw/zinc/29/84/60/333298460.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000364357988 333298461 /nfs/dbraw/zinc/29/84/61/333298461.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 2 1 319.537 4.293 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390578775 333302811 /nfs/dbraw/zinc/30/28/11/333302811.db2.gz DJWBZAWRSKYNSE-IEBWSBKVSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390578775 333302812 /nfs/dbraw/zinc/30/28/12/333302812.db2.gz DJWBZAWRSKYNSE-IEBWSBKVSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000531720288 333550742 /nfs/dbraw/zinc/55/07/42/333550742.db2.gz KDQIQGUHKKWLOR-FOIQADDNSA-N 2 1 316.464 4.079 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000183675012 337194184 /nfs/dbraw/zinc/19/41/84/337194184.db2.gz QTRMCGSZFZAHCO-OAHLLOKOSA-N 2 1 310.445 4.161 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436244875 338263296 /nfs/dbraw/zinc/26/32/96/338263296.db2.gz SEMVMRSOTRNUJN-FPOVZHCZSA-N 2 1 312.501 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464093545 339134225 /nfs/dbraw/zinc/13/42/25/339134225.db2.gz HILHRBAMYUGQFG-PMACEKPBSA-N 2 1 312.501 4.199 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706504 339423110 /nfs/dbraw/zinc/42/31/10/339423110.db2.gz HBHRHXLSDZYHGJ-CVEARBPZSA-N 2 1 320.908 4.462 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706507 339423151 /nfs/dbraw/zinc/42/31/51/339423151.db2.gz HBHRHXLSDZYHGJ-HZPDHXFCSA-N 2 1 320.908 4.462 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474708964 339423291 /nfs/dbraw/zinc/42/32/91/339423291.db2.gz MOWJOUNAVCZBIN-HXUWFJFHSA-N 2 1 300.490 4.056 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000482643990 339638791 /nfs/dbraw/zinc/63/87/91/339638791.db2.gz CCFKNIAGWQKJDQ-HXUWFJFHSA-N 2 1 318.480 4.023 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000154165669 341585790 /nfs/dbraw/zinc/58/57/90/341585790.db2.gz JLBNIOJEFAWVML-UHFFFAOYSA-N 2 1 318.892 4.216 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208684 1036061826 /nfs/dbraw/zinc/06/18/26/1036061826.db2.gz XTOVOMKKLVRUPM-NHCUHLMSSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208684 1036061846 /nfs/dbraw/zinc/06/18/46/1036061846.db2.gz XTOVOMKKLVRUPM-NHCUHLMSSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209208684 1036061866 /nfs/dbraw/zinc/06/18/66/1036061866.db2.gz XTOVOMKKLVRUPM-NHCUHLMSSA-N 2 1 312.501 4.187 20 30 DIEDMP CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662033 1038329845 /nfs/dbraw/zinc/32/98/45/1038329845.db2.gz WPXMMTCITZMWIV-UHFFFAOYSA-N 2 1 315.505 4.290 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646787 1039077099 /nfs/dbraw/zinc/07/70/99/1039077099.db2.gz GSKJDLNHYOJYMF-NHCUHLMSSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646787 1039077113 /nfs/dbraw/zinc/07/71/13/1039077113.db2.gz GSKJDLNHYOJYMF-NHCUHLMSSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646787 1039077133 /nfs/dbraw/zinc/07/71/33/1039077133.db2.gz GSKJDLNHYOJYMF-NHCUHLMSSA-N 2 1 312.501 4.329 20 30 DIEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906820 1039882536 /nfs/dbraw/zinc/88/25/36/1039882536.db2.gz CEXSHKLCBJZGGK-JKSUJKDBSA-N 2 1 317.452 4.003 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492329142 1039951475 /nfs/dbraw/zinc/95/14/75/1039951475.db2.gz LILUBLLKBSNGKO-NSHGMRRFSA-N 2 1 300.490 4.231 20 30 DIEDMP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998016 1041747313 /nfs/dbraw/zinc/74/73/13/1041747313.db2.gz UJXJUUJYMDHMGL-SIKLNZKXSA-N 2 1 320.480 4.200 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925079091 1042974762 /nfs/dbraw/zinc/97/47/62/1042974762.db2.gz DTQPLXAHBQYVIT-SJORKVTESA-N 2 1 313.489 4.130 20 30 DIEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000177483229 1043107856 /nfs/dbraw/zinc/10/78/56/1043107856.db2.gz SZGVESMOSJNOBR-MRXNPFEDSA-N 2 1 311.473 4.006 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706505 1043894930 /nfs/dbraw/zinc/89/49/30/1043894930.db2.gz HBHRHXLSDZYHGJ-HOTGVXAUSA-N 2 1 320.908 4.462 20 30 DIEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000444630401 1044580303 /nfs/dbraw/zinc/58/03/03/1044580303.db2.gz ZZNWEBHUBPUFEU-LJQANCHMSA-N 2 1 319.537 4.294 20 30 DIEDMP C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519894 1045015776 /nfs/dbraw/zinc/01/57/76/1045015776.db2.gz UHYYMLGSCYRBQW-ROUUACIJSA-N 2 1 317.521 4.093 20 30 DIEDMP C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519892 1045016557 /nfs/dbraw/zinc/01/65/57/1045016557.db2.gz UHYYMLGSCYRBQW-MSOLQXFVSA-N 2 1 317.521 4.093 20 30 DIEDMP C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519893 1045016659 /nfs/dbraw/zinc/01/66/59/1045016659.db2.gz UHYYMLGSCYRBQW-QZTJIDSGSA-N 2 1 317.521 4.093 20 30 DIEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517962 1045135716 /nfs/dbraw/zinc/13/57/16/1045135716.db2.gz MIHYIVVXPIJHAF-OAQYLSRUSA-N 2 1 321.468 4.121 20 30 DIEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447541650 1045143795 /nfs/dbraw/zinc/14/37/95/1045143795.db2.gz NCMAFRXHSXSAHM-XLIONFOSSA-N 2 1 313.489 4.111 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000449144865 1045351793 /nfs/dbraw/zinc/35/17/93/1045351793.db2.gz VAGKEWMCHRJTJR-INIZCTEOSA-N 2 1 301.478 4.083 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344333 1046986066 /nfs/dbraw/zinc/98/60/66/1046986066.db2.gz OILLHXUZFOPRBK-SXLOBPIMSA-N 2 1 300.490 4.056 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001199295158 1048053330 /nfs/dbraw/zinc/05/33/30/1048053330.db2.gz FWFKGUJOOTUTCX-XLIONFOSSA-N 2 1 300.490 4.361 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(CC)cc2)CC1 ZINC000482642878 1048650577 /nfs/dbraw/zinc/65/05/77/1048650577.db2.gz DAJOYGRUCLSOQS-HXUWFJFHSA-N 2 1 300.490 4.330 20 30 DIEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)CC1CC[NH+](CC)CC1 ZINC001205093495 1049372520 /nfs/dbraw/zinc/37/25/20/1049372520.db2.gz GPLFSIAKMOKPRK-UHFFFAOYSA-N 2 1 312.910 4.121 20 30 DIEDMP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806834 1049941939 /nfs/dbraw/zinc/94/19/39/1049941939.db2.gz YVKAFTDVPKYVIC-HKUYNNGSSA-N 2 1 315.505 4.378 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001208176525 1049981217 /nfs/dbraw/zinc/98/12/17/1049981217.db2.gz FTUODNHNRPIEGW-HXUWFJFHSA-N 2 1 304.522 4.341 20 30 DIEDMP C=CCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209163713 1050041062 /nfs/dbraw/zinc/04/10/62/1050041062.db2.gz ILVJPWJVRMYXRH-UHFFFAOYSA-N 2 1 312.501 4.331 20 30 DIEDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000348038945 1050174532 /nfs/dbraw/zinc/17/45/32/1050174532.db2.gz DRSZAJMUENYPRI-UHFFFAOYSA-N 2 1 324.472 4.002 20 30 DIEDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000348038945 1050174536 /nfs/dbraw/zinc/17/45/36/1050174536.db2.gz DRSZAJMUENYPRI-UHFFFAOYSA-N 2 1 324.472 4.002 20 30 DIEDMP C=CCCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595059823 1050594621 /nfs/dbraw/zinc/59/46/21/1050594621.db2.gz PJLMYCRCDMSFCQ-OAHLLOKOSA-N 2 1 315.486 4.141 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000773117237 1051066471 /nfs/dbraw/zinc/06/64/71/1051066471.db2.gz UJMZWBJEKKKKNS-BWAGFHJFSA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000773117240 1051067774 /nfs/dbraw/zinc/06/77/74/1051067774.db2.gz UJMZWBJEKKKKNS-QIJUGHKUSA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962856 1051246077 /nfs/dbraw/zinc/24/60/77/1051246077.db2.gz FJLQYNZWQRQXQO-IBGZPJMESA-N 2 1 312.501 4.211 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962856 1051246089 /nfs/dbraw/zinc/24/60/89/1051246089.db2.gz FJLQYNZWQRQXQO-IBGZPJMESA-N 2 1 312.501 4.211 20 30 DIEDMP C=C(C)C[N@@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083812 1051278681 /nfs/dbraw/zinc/27/86/81/1051278681.db2.gz RVMDJUKFNVMFAS-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[N@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083812 1051278696 /nfs/dbraw/zinc/27/86/96/1051278696.db2.gz RVMDJUKFNVMFAS-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083812 1051278709 /nfs/dbraw/zinc/27/87/09/1051278709.db2.gz RVMDJUKFNVMFAS-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083812 1051278721 /nfs/dbraw/zinc/27/87/21/1051278721.db2.gz RVMDJUKFNVMFAS-WKCHPHFGSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[N@@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083809 1051280364 /nfs/dbraw/zinc/28/03/64/1051280364.db2.gz RVMDJUKFNVMFAS-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[N@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083809 1051280366 /nfs/dbraw/zinc/28/03/66/1051280366.db2.gz RVMDJUKFNVMFAS-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083809 1051280369 /nfs/dbraw/zinc/28/03/69/1051280369.db2.gz RVMDJUKFNVMFAS-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083809 1051280372 /nfs/dbraw/zinc/28/03/72/1051280372.db2.gz RVMDJUKFNVMFAS-AERCQKQUSA-N 2 1 312.501 4.470 20 30 DIEDMP C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000793519303 1051305715 /nfs/dbraw/zinc/30/57/15/1051305715.db2.gz BYSDSPFVFDHSRF-MRXNPFEDSA-N 2 1 312.461 4.190 20 30 DIEDMP Cc1ccccc1C[N@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491649 1051418002 /nfs/dbraw/zinc/41/80/02/1051418002.db2.gz IANPUHWTTGOVLO-IHPCNDPISA-N 2 1 313.489 4.149 20 30 DIEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC([NH+](CC)CC)CC1 ZINC001173114835 1051611516 /nfs/dbraw/zinc/61/15/16/1051611516.db2.gz UJHZAGHXRKQYQF-QETWGEEDSA-N 2 1 324.512 4.262 20 30 DIEDMP N#CCC1CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334197 1051697446 /nfs/dbraw/zinc/69/74/46/1051697446.db2.gz UHUPNMVOXZLCCS-SUVNUQANSA-N 2 1 317.521 4.363 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975617 1051757145 /nfs/dbraw/zinc/75/71/45/1051757145.db2.gz DFFLVPNQTPBBDZ-AWEZNQCLSA-N 2 1 322.880 4.040 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433672 1052345919 /nfs/dbraw/zinc/34/59/19/1052345919.db2.gz PEVWTZYATOHJOV-GNBUJSLZSA-N 2 1 300.490 4.087 20 30 DIEDMP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000126328613 1052669225 /nfs/dbraw/zinc/66/92/25/1052669225.db2.gz KNOCSPODYSFOEQ-GOSISDBHSA-N 2 1 300.490 4.028 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000100019581 1053299580 /nfs/dbraw/zinc/29/95/80/1053299580.db2.gz PVDQBIRQBQYESL-IBGZPJMESA-N 2 1 318.505 4.207 20 30 DIEDMP C[C@@H](CCC#N)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000618888466 1053390105 /nfs/dbraw/zinc/39/01/05/1053390105.db2.gz UIHVBWVWVPGQKD-ROUUACIJSA-N 2 1 313.489 4.179 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090652 1054654586 /nfs/dbraw/zinc/65/45/86/1054654586.db2.gz RXAJCODBQHUZNO-KRWDZBQOSA-N 2 1 316.480 4.448 20 30 DIEDMP C=CCCCCCCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235397066 1054711218 /nfs/dbraw/zinc/71/12/18/1054711218.db2.gz OFZBHHHTPXLAKX-ROUUACIJSA-N 2 1 310.501 4.302 20 30 DIEDMP CCCCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377132 1054712204 /nfs/dbraw/zinc/71/22/04/1054712204.db2.gz AKCRUNYKMDNWMI-UXHICEINSA-N 2 1 300.490 4.036 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236067681 1054924671 /nfs/dbraw/zinc/92/46/71/1054924671.db2.gz STGBZDAAEFGJOG-LJQANCHMSA-N 2 1 318.505 4.077 20 30 DIEDMP CCCCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236067681 1054924679 /nfs/dbraw/zinc/92/46/79/1054924679.db2.gz STGBZDAAEFGJOG-LJQANCHMSA-N 2 1 318.505 4.077 20 30 DIEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236362384 1055071806 /nfs/dbraw/zinc/07/18/06/1055071806.db2.gz ZCUVWMTYEHFPAB-QFIPXVFZSA-N 2 1 318.464 4.322 20 30 DIEDMP C=CCCCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402111 1055094014 /nfs/dbraw/zinc/09/40/14/1055094014.db2.gz VKJXMPBKDBEFAH-UHFFFAOYSA-N 2 1 304.453 4.126 20 30 DIEDMP C=CCCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236450909 1055120961 /nfs/dbraw/zinc/12/09/61/1055120961.db2.gz MKQJCTWJVHNEBV-UHFFFAOYSA-N 2 1 306.881 4.250 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236450909 1055120967 /nfs/dbraw/zinc/12/09/67/1055120967.db2.gz MKQJCTWJVHNEBV-UHFFFAOYSA-N 2 1 306.881 4.250 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550178 1055178151 /nfs/dbraw/zinc/17/81/51/1055178151.db2.gz FJDHMAXKFDHUPU-VAMGGRTRSA-N 2 1 302.506 4.271 20 30 DIEDMP CCCCCCC[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236563094 1055186838 /nfs/dbraw/zinc/18/68/38/1055186838.db2.gz ZLKGBNCVVQQRRA-WGSAOQKQSA-N 2 1 303.494 4.124 20 30 DIEDMP CCC(CC)[N@@H+](Cc1ccc(C#N)cc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790335 1055261033 /nfs/dbraw/zinc/26/10/33/1055261033.db2.gz GEVSMARHALYMRY-KESTWPANSA-N 2 1 313.489 4.127 20 30 DIEDMP C=CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000766020090 1057121079 /nfs/dbraw/zinc/12/10/79/1057121079.db2.gz MGSQLIAVWNLQRU-FQEVSTJZSA-N 2 1 313.489 4.086 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C[NH2+]C)cc2)cc1 ZINC001242994897 1057540312 /nfs/dbraw/zinc/54/03/12/1057540312.db2.gz UJIWMSXMDXSNCX-OAQYLSRUSA-N 2 1 306.453 4.396 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246037707 1058655352 /nfs/dbraw/zinc/65/53/52/1058655352.db2.gz XDJYFHBKSDMBPS-IBGZPJMESA-N 2 1 324.553 4.096 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025706 1058655547 /nfs/dbraw/zinc/65/55/47/1058655547.db2.gz ZIJZINYKOSDVPD-OALUTQOASA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246235506 1058756490 /nfs/dbraw/zinc/75/64/90/1058756490.db2.gz ZMYQUVLQYSLLNX-PKOBYXMFSA-N 2 1 306.469 4.487 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246317952 1058831934 /nfs/dbraw/zinc/83/19/34/1058831934.db2.gz PFDRYNMREBVKAL-RCCFBDPRSA-N 2 1 316.489 4.213 20 30 DIEDMP C=CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC001246488102 1058967113 /nfs/dbraw/zinc/96/71/13/1058967113.db2.gz HPHWBDCIZFBFFJ-NJYVYQBISA-N 2 1 306.453 4.387 20 30 DIEDMP CCCCCCCC[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561293 1059008062 /nfs/dbraw/zinc/00/80/62/1059008062.db2.gz WCXBUPIAVLFFPU-HOTGVXAUSA-N 2 1 304.469 4.432 20 30 DIEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246638296 1059042180 /nfs/dbraw/zinc/04/21/80/1059042180.db2.gz LKBALMSYAVDMBX-SJORKVTESA-N 2 1 316.480 4.446 20 30 DIEDMP N#CCC[N@@H+]([C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770771 1059075860 /nfs/dbraw/zinc/07/58/60/1059075860.db2.gz SKHHMKXQULLEJV-VQTJNVASSA-N 2 1 317.521 4.237 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246797740 1059100281 /nfs/dbraw/zinc/10/02/81/1059100281.db2.gz VMKRZTXYENIOAW-UHFFFAOYSA-N 2 1 312.501 4.377 20 30 DIEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815957 1059110702 /nfs/dbraw/zinc/11/07/02/1059110702.db2.gz FWSKFCLRQRDYRV-PZJWPPBQSA-N 2 1 322.496 4.064 20 30 DIEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815957 1059110716 /nfs/dbraw/zinc/11/07/16/1059110716.db2.gz FWSKFCLRQRDYRV-PZJWPPBQSA-N 2 1 322.496 4.064 20 30 DIEDMP C[NH2+]CC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888038 1059155046 /nfs/dbraw/zinc/15/50/46/1059155046.db2.gz QIRSZTLCXJZBJE-ROUUACIJSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246951137 1059194042 /nfs/dbraw/zinc/19/40/42/1059194042.db2.gz XYPMNWGZMRYSLO-FPOVZHCZSA-N 2 1 312.501 4.170 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966282 1059211164 /nfs/dbraw/zinc/21/11/64/1059211164.db2.gz VXSOMIAKAGXTME-MRXNPFEDSA-N 2 1 304.453 4.043 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246972322 1059218536 /nfs/dbraw/zinc/21/85/36/1059218536.db2.gz HKNRWQXPEIKCBO-MISYRCLQSA-N 2 1 300.490 4.422 20 30 DIEDMP C=CCCC[N@H+](CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560204769 1059985594 /nfs/dbraw/zinc/98/55/94/1059985594.db2.gz ZBJGSNVEUBFICI-UHFFFAOYSA-N 2 1 300.490 4.461 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560798072 1060658540 /nfs/dbraw/zinc/65/85/40/1060658540.db2.gz WTOQVQZNABFCRU-QUCCMNQESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001473415993 1061147407 /nfs/dbraw/zinc/14/74/07/1061147407.db2.gz HVRJAIQTEBJUBC-LJQANCHMSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001473415993 1061147414 /nfs/dbraw/zinc/14/74/14/1061147414.db2.gz HVRJAIQTEBJUBC-LJQANCHMSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001473922982 1061472505 /nfs/dbraw/zinc/47/25/05/1061472505.db2.gz RGSHEXOPWYBKBN-TZIWHRDSSA-N 2 1 312.501 4.028 20 30 DIEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001474219266 1061778331 /nfs/dbraw/zinc/77/83/31/1061778331.db2.gz XPRANTREMNUHAH-IBGZPJMESA-N 2 1 312.501 4.376 20 30 DIEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001474219266 1061778341 /nfs/dbraw/zinc/77/83/41/1061778341.db2.gz XPRANTREMNUHAH-IBGZPJMESA-N 2 1 312.501 4.376 20 30 DIEDMP CC[C@@H](CC#N)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162055 1062348987 /nfs/dbraw/zinc/34/89/87/1062348987.db2.gz GCJYDVPBEBWLQI-BZSNNMDCSA-N 2 1 319.880 4.104 20 30 DIEDMP CCCC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321711 1062398562 /nfs/dbraw/zinc/39/85/62/1062398562.db2.gz WDVTWSULXKXGLA-NSISKUIASA-N 2 1 313.489 4.209 20 30 DIEDMP SCCCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398779 1062433203 /nfs/dbraw/zinc/43/32/03/1062433203.db2.gz XSLFKWJKKNUBOM-LJQANCHMSA-N 2 1 320.546 4.121 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409201 1062442204 /nfs/dbraw/zinc/44/22/04/1062442204.db2.gz SYVKLGMHAMLZNT-HXUWFJFHSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409201 1062442215 /nfs/dbraw/zinc/44/22/15/1062442215.db2.gz SYVKLGMHAMLZNT-HXUWFJFHSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CCCCC[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409201 1062442223 /nfs/dbraw/zinc/44/22/23/1062442223.db2.gz SYVKLGMHAMLZNT-HXUWFJFHSA-N 2 1 300.490 4.329 20 30 DIEDMP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001460049960 1062599025 /nfs/dbraw/zinc/59/90/25/1062599025.db2.gz ZOGRAYLNMMIENS-BGYRXZFFSA-N 2 1 300.490 4.021 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255950278 1062671020 /nfs/dbraw/zinc/67/10/20/1062671020.db2.gz GSCFOTCUQNRTCF-IRXDYDNUSA-N 2 1 304.478 4.022 20 30 DIEDMP C[C@H]1C[C@H]([NH2+]CCCCCCS)CC[N@@H+]1Cc1ccccc1 ZINC001256538989 1062861743 /nfs/dbraw/zinc/86/17/43/1062861743.db2.gz UOYRYQNPKINLGE-PKOBYXMFSA-N 2 1 320.546 4.119 20 30 DIEDMP C[C@H]1C[C@H]([NH2+]CCCCCCS)CC[N@H+]1Cc1ccccc1 ZINC001256538989 1062861754 /nfs/dbraw/zinc/86/17/54/1062861754.db2.gz UOYRYQNPKINLGE-PKOBYXMFSA-N 2 1 320.546 4.119 20 30 DIEDMP C=CC[NH+]([C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882757 /nfs/dbraw/zinc/88/27/57/1062882757.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[NH+]([C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882776 /nfs/dbraw/zinc/88/27/76/1062882776.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@@H+]([C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882787 /nfs/dbraw/zinc/88/27/87/1062882787.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@H+]([C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882798 /nfs/dbraw/zinc/88/27/98/1062882798.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062882973 /nfs/dbraw/zinc/88/29/73/1062882973.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062882996 /nfs/dbraw/zinc/88/29/96/1062882996.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062883015 /nfs/dbraw/zinc/88/30/15/1062883015.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062883031 /nfs/dbraw/zinc/88/30/31/1062883031.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001461056900 1063220401 /nfs/dbraw/zinc/22/04/01/1063220401.db2.gz OGKTXCDRQYSNCR-WIYYLYMNSA-N 2 1 312.501 4.294 20 30 DIEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001461056898 1063220701 /nfs/dbraw/zinc/22/07/01/1063220701.db2.gz OGKTXCDRQYSNCR-RXVVDRJESA-N 2 1 312.501 4.294 20 30 DIEDMP CCCCCCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049318 1063481684 /nfs/dbraw/zinc/48/16/84/1063481684.db2.gz FCVLJTZYBMZILD-ICSRJNTNSA-N 2 1 324.553 4.311 20 30 DIEDMP CCCCCCCCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258230862 1063570832 /nfs/dbraw/zinc/57/08/32/1063570832.db2.gz CRZMYKHFJHWYFW-SFHVURJKSA-N 2 1 312.542 4.216 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722581 1063776496 /nfs/dbraw/zinc/77/64/96/1063776496.db2.gz KEGKIGLJSRLVHW-ATZDWAIDSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736726 1063783479 /nfs/dbraw/zinc/78/34/79/1063783479.db2.gz ZMRMAZWXCGYCDB-CEWLAPEOSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736726 1063783489 /nfs/dbraw/zinc/78/34/89/1063783489.db2.gz ZMRMAZWXCGYCDB-CEWLAPEOSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001258736726 1063783502 /nfs/dbraw/zinc/78/35/02/1063783502.db2.gz ZMRMAZWXCGYCDB-CEWLAPEOSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734020 1063784219 /nfs/dbraw/zinc/78/42/19/1063784219.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001258734020 1063784232 /nfs/dbraw/zinc/78/42/32/1063784232.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001258734020 1063784244 /nfs/dbraw/zinc/78/42/44/1063784244.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339721 /nfs/dbraw/zinc/33/97/21/1064339721.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339737 /nfs/dbraw/zinc/33/97/37/1064339737.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339745 /nfs/dbraw/zinc/33/97/45/1064339745.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339769 /nfs/dbraw/zinc/33/97/69/1064339769.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 2 1 315.505 4.049 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001279491188 1064354258 /nfs/dbraw/zinc/35/42/58/1064354258.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 2 1 302.506 4.097 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)CC1 ZINC001279491188 1064354268 /nfs/dbraw/zinc/35/42/68/1064354268.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 2 1 302.506 4.097 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)CC1 ZINC001279491188 1064354274 /nfs/dbraw/zinc/35/42/74/1064354274.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 2 1 302.506 4.097 20 30 DIEDMP C=CCCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001307761344 1065609230 /nfs/dbraw/zinc/60/92/30/1065609230.db2.gz FFMZSWRFZVBLDJ-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307761344 1065609235 /nfs/dbraw/zinc/60/92/35/1065609235.db2.gz FFMZSWRFZVBLDJ-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307761344 1065609240 /nfs/dbraw/zinc/60/92/40/1065609240.db2.gz FFMZSWRFZVBLDJ-NRFANRHFSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976565 1066429084 /nfs/dbraw/zinc/42/90/84/1066429084.db2.gz XLUOFVCQORYYRP-PBASOCQRSA-N 2 1 312.501 4.231 20 30 DIEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976562 1066429508 /nfs/dbraw/zinc/42/95/08/1066429508.db2.gz XLUOFVCQORYYRP-AYWYSENESA-N 2 1 312.501 4.231 20 30 DIEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000286193293 335030423 /nfs/dbraw/zinc/03/04/23/335030423.db2.gz RJWNMFSVAMWHSD-SFHVURJKSA-N 2 1 302.462 4.284 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](CC(C)(C)CCC#N)CC1)CC(C)C ZINC000583052263 337230233 /nfs/dbraw/zinc/23/02/33/337230233.db2.gz ZLLYPHMOONBXCU-UHFFFAOYSA-N 2 1 321.553 4.396 20 30 DIEDMP N#CCCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132916 337701084 /nfs/dbraw/zinc/70/10/84/337701084.db2.gz PUAOEPOCUOMPOT-UFYCRDLUSA-N 2 1 305.425 4.156 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000449161796 338598051 /nfs/dbraw/zinc/59/80/51/338598051.db2.gz GXOZWCLGOMVZDX-QGZVFWFLSA-N 2 1 301.478 4.083 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453102104 338794135 /nfs/dbraw/zinc/79/41/35/338794135.db2.gz OTFSITRDSBZGJZ-YOEHRIQHSA-N 2 1 304.503 4.317 20 30 DIEDMP C=CCC[C@H](CCC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462110840 339072346 /nfs/dbraw/zinc/07/23/46/339072346.db2.gz JRLOOLVNBLSKIW-SFHVURJKSA-N 2 1 322.537 4.135 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463272032 339112848 /nfs/dbraw/zinc/11/28/48/339112848.db2.gz NNCWMRWTFLDGHL-BJLQDIEVSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463272032 339112849 /nfs/dbraw/zinc/11/28/49/339112849.db2.gz NNCWMRWTFLDGHL-BJLQDIEVSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463277667 339112948 /nfs/dbraw/zinc/11/29/48/339112948.db2.gz TXPMFCBGTLZBCV-IBGZPJMESA-N 2 1 314.517 4.418 20 30 DIEDMP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000542664507 341016112 /nfs/dbraw/zinc/01/61/12/341016112.db2.gz YWHWINVKNKGNHO-KRWDZBQOSA-N 2 1 312.457 4.356 20 30 DIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009175 341329057 /nfs/dbraw/zinc/32/90/57/341329057.db2.gz QTPIMQWWEOOCGQ-DQLDELGASA-N 2 1 319.452 4.044 20 30 DIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009175 341329058 /nfs/dbraw/zinc/32/90/58/341329058.db2.gz QTPIMQWWEOOCGQ-DQLDELGASA-N 2 1 319.452 4.044 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276449 341383360 /nfs/dbraw/zinc/38/33/60/341383360.db2.gz YIRPHFFFSBQMDQ-MSOLQXFVSA-N 2 1 304.478 4.245 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276449 341383361 /nfs/dbraw/zinc/38/33/61/341383361.db2.gz YIRPHFFFSBQMDQ-MSOLQXFVSA-N 2 1 304.478 4.245 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000574313578 341754945 /nfs/dbraw/zinc/75/49/45/341754945.db2.gz RVOXPYGPFSNCCG-FQEVSTJZSA-N 2 1 323.484 4.175 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209432608 1036176637 /nfs/dbraw/zinc/17/66/37/1036176637.db2.gz HMIFXAGZDYCOMN-UHFFFAOYSA-N 2 1 318.480 4.468 20 30 DIEDMP C=CCCCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209432608 1036176645 /nfs/dbraw/zinc/17/66/45/1036176645.db2.gz HMIFXAGZDYCOMN-UHFFFAOYSA-N 2 1 318.480 4.468 20 30 DIEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000599662130 1038330780 /nfs/dbraw/zinc/33/07/80/1038330780.db2.gz ZCZNHBHPEPQJJY-KRWDZBQOSA-N 2 1 321.468 4.203 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](CCC(C)(C)C#N)CC1)CC(C)C ZINC000539613662 1039300647 /nfs/dbraw/zinc/30/06/47/1039300647.db2.gz FYMMJXKOCCNQHF-UHFFFAOYSA-N 2 1 307.526 4.006 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464093546 1039645903 /nfs/dbraw/zinc/64/59/03/1039645903.db2.gz HILHRBAMYUGQFG-UXHICEINSA-N 2 1 312.501 4.199 20 30 DIEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906814 1039880340 /nfs/dbraw/zinc/88/03/40/1039880340.db2.gz CEXSHKLCBJZGGK-HOTGVXAUSA-N 2 1 317.452 4.003 20 30 DIEDMP C=C(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205210 1040110889 /nfs/dbraw/zinc/11/08/89/1040110889.db2.gz CPXMTWMJWBHYII-SIKLNZKXSA-N 2 1 320.480 4.200 20 30 DIEDMP N#CCCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132915 1042698845 /nfs/dbraw/zinc/69/88/45/1042698845.db2.gz PUAOEPOCUOMPOT-SLFFLAALSA-N 2 1 305.425 4.156 20 30 DIEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000177483210 1043107910 /nfs/dbraw/zinc/10/79/10/1043107910.db2.gz SZGVESMOSJNOBR-INIZCTEOSA-N 2 1 311.473 4.006 20 30 DIEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447535581 1045140886 /nfs/dbraw/zinc/14/08/86/1045140886.db2.gz HFSJVUIZIIBQIZ-PXNSSMCTSA-N 2 1 313.489 4.254 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136430 1045228791 /nfs/dbraw/zinc/22/87/91/1045228791.db2.gz OSTUPTGMXZOYAB-BFYDXBDKSA-N 2 1 319.518 4.049 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136430 1045228797 /nfs/dbraw/zinc/22/87/97/1045228797.db2.gz OSTUPTGMXZOYAB-BFYDXBDKSA-N 2 1 319.518 4.049 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000536999339 1047130369 /nfs/dbraw/zinc/13/03/69/1047130369.db2.gz JKSSXKWVDWMSSZ-IBGZPJMESA-N 2 1 318.892 4.421 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000120737946 1047499391 /nfs/dbraw/zinc/49/93/91/1047499391.db2.gz CPRGYNASVSMPRH-QFBILLFUSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000120737946 1047499410 /nfs/dbraw/zinc/49/94/10/1047499410.db2.gz CPRGYNASVSMPRH-QFBILLFUSA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCCC[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538121646 1047658453 /nfs/dbraw/zinc/65/84/53/1047658453.db2.gz AMMVLUWZYZHFOV-SFHVURJKSA-N 2 1 315.505 4.365 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482627031 1048648850 /nfs/dbraw/zinc/64/88/50/1048648850.db2.gz GORRUKKINYUFBN-GOSISDBHSA-N 2 1 300.490 4.303 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482627032 1048649231 /nfs/dbraw/zinc/64/92/31/1048649231.db2.gz GORRUKKINYUFBN-SFHVURJKSA-N 2 1 300.490 4.303 20 30 DIEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775412836 1048786891 /nfs/dbraw/zinc/78/68/91/1048786891.db2.gz XXZLZBOMPNAIEE-HNNXBMFYSA-N 2 1 322.880 4.084 20 30 DIEDMP CCCCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233687 1048905801 /nfs/dbraw/zinc/90/58/01/1048905801.db2.gz PJLKESHQIALJME-FQEVSTJZSA-N 2 1 302.506 4.411 20 30 DIEDMP CCCCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191233687 1048905818 /nfs/dbraw/zinc/90/58/18/1048905818.db2.gz PJLKESHQIALJME-FQEVSTJZSA-N 2 1 302.506 4.411 20 30 DIEDMP CCCCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191233687 1048905839 /nfs/dbraw/zinc/90/58/39/1048905839.db2.gz PJLKESHQIALJME-FQEVSTJZSA-N 2 1 302.506 4.411 20 30 DIEDMP C=CCCCC[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946725 1050028698 /nfs/dbraw/zinc/02/86/98/1050028698.db2.gz WIOKRNFLZHHAGT-FQEVSTJZSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208946725 1050028704 /nfs/dbraw/zinc/02/87/04/1050028704.db2.gz WIOKRNFLZHHAGT-FQEVSTJZSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208946725 1050028711 /nfs/dbraw/zinc/02/87/11/1050028711.db2.gz WIOKRNFLZHHAGT-FQEVSTJZSA-N 2 1 300.490 4.187 20 30 DIEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639958 1051194583 /nfs/dbraw/zinc/19/45/83/1051194583.db2.gz WSLOJVVHDLVUNV-HXUWFJFHSA-N 2 1 324.512 4.261 20 30 DIEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639958 1051194587 /nfs/dbraw/zinc/19/45/87/1051194587.db2.gz WSLOJVVHDLVUNV-HXUWFJFHSA-N 2 1 324.512 4.261 20 30 DIEDMP C#CC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979633 1051268105 /nfs/dbraw/zinc/26/81/05/1051268105.db2.gz POBPXBMPANEFQG-FQEVSTJZSA-N 2 1 324.512 4.355 20 30 DIEDMP C#CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979633 1051268108 /nfs/dbraw/zinc/26/81/08/1051268108.db2.gz POBPXBMPANEFQG-FQEVSTJZSA-N 2 1 324.512 4.355 20 30 DIEDMP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172349562 1051365973 /nfs/dbraw/zinc/36/59/73/1051365973.db2.gz FHOBRVIODVLOCT-WOJBJXKFSA-N 2 1 324.553 4.216 20 30 DIEDMP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172349562 1051365984 /nfs/dbraw/zinc/36/59/84/1051365984.db2.gz FHOBRVIODVLOCT-WOJBJXKFSA-N 2 1 324.553 4.216 20 30 DIEDMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172507446 1051424021 /nfs/dbraw/zinc/42/40/21/1051424021.db2.gz URDGMRZXGSIMPP-GOSISDBHSA-N 2 1 313.489 4.055 20 30 DIEDMP C=CC[C@H](CCCC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218437554 1052238730 /nfs/dbraw/zinc/23/87/30/1052238730.db2.gz CMHVCSRPUOWYIS-LJQANCHMSA-N 2 1 316.489 4.123 20 30 DIEDMP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](C)CCC#N)CCCC1)c1ccccc1 ZINC000618888469 1053389477 /nfs/dbraw/zinc/38/94/77/1053389477.db2.gz UIHVBWVWVPGQKD-ZWKOTPCHSA-N 2 1 313.489 4.179 20 30 DIEDMP CCCCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348122 1054706044 /nfs/dbraw/zinc/70/60/44/1054706044.db2.gz AKCRUNYKMDNWMI-WOJBJXKFSA-N 2 1 300.490 4.036 20 30 DIEDMP CCCCCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235751018 1054797187 /nfs/dbraw/zinc/79/71/87/1054797187.db2.gz URJKQZZAOFISMA-IBGZPJMESA-N 2 1 318.505 4.207 20 30 DIEDMP C#Cc1ccc(C[N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236758519 1055250468 /nfs/dbraw/zinc/25/04/68/1055250468.db2.gz IMBMONINCLGMNS-HZCBDIJESA-N 2 1 324.512 4.320 20 30 DIEDMP CCC(CC)[N@@H+](Cc1ccccc1CC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790391 1055264034 /nfs/dbraw/zinc/26/40/34/1055264034.db2.gz HCVQEJQWNBTHBX-KESTWPANSA-N 2 1 313.489 4.013 20 30 DIEDMP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001620742721 1055991409 /nfs/dbraw/zinc/99/14/09/1055991409.db2.gz UKPDBZHBWVKTIM-RDJZCZTQSA-N 2 1 313.420 4.154 20 30 DIEDMP C=CCCCCCC[C@H](O)C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066740 1058659797 /nfs/dbraw/zinc/65/97/97/1058659797.db2.gz BHESZHOJLHFAQB-UFYCRDLUSA-N 2 1 324.553 4.102 20 30 DIEDMP CCCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242175 1058766093 /nfs/dbraw/zinc/76/60/93/1058766093.db2.gz XOAPRRNRGOXMQJ-ZWKOTPCHSA-N 2 1 300.531 4.249 20 30 DIEDMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312186 1058819403 /nfs/dbraw/zinc/81/94/03/1058819403.db2.gz BEHDSCWVNSEPTI-HBMCJLEFSA-N 2 1 319.452 4.092 20 30 DIEDMP CCCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246550143 1059000944 /nfs/dbraw/zinc/00/09/44/1059000944.db2.gz JFBAEQPISGIQJK-MOPGFXCFSA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635566 1059045238 /nfs/dbraw/zinc/04/52/38/1059045238.db2.gz CQBDZAKPUGAXJT-CVEARBPZSA-N 2 1 302.453 4.056 20 30 DIEDMP CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658756 1059057202 /nfs/dbraw/zinc/05/72/02/1059057202.db2.gz VVQXQAPLHGKCNX-XHSDSOJGSA-N 2 1 320.443 4.209 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246794952 1059098324 /nfs/dbraw/zinc/09/83/24/1059098324.db2.gz LHGYXTKKISELTQ-RTBURBONSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794949 1059098865 /nfs/dbraw/zinc/09/88/65/1059098865.db2.gz LHGYXTKKISELTQ-PMOLBWCYSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246868649 1059142848 /nfs/dbraw/zinc/14/28/48/1059142848.db2.gz CONIMIAPBPWGMV-HKUYNNGSSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246868649 1059142853 /nfs/dbraw/zinc/14/28/53/1059142853.db2.gz CONIMIAPBPWGMV-HKUYNNGSSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CC[N@@H+]([C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922067 1059177331 /nfs/dbraw/zinc/17/73/31/1059177331.db2.gz UXRAVSUBOOUNQG-FUHWJXTLSA-N 2 1 304.453 4.214 20 30 DIEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922067 1059177352 /nfs/dbraw/zinc/17/73/52/1059177352.db2.gz UXRAVSUBOOUNQG-FUHWJXTLSA-N 2 1 304.453 4.214 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933472 1059180786 /nfs/dbraw/zinc/18/07/86/1059180786.db2.gz IVXKQHSAYUXHME-KKUMJFAQSA-N 2 1 308.432 4.337 20 30 DIEDMP C=C1C[C@@H]2CC([N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246946779 1059193292 /nfs/dbraw/zinc/19/32/92/1059193292.db2.gz PFQXSUCPSCVCRQ-JJTKIYQPSA-N 2 1 304.522 4.221 20 30 DIEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246951151 1059193998 /nfs/dbraw/zinc/19/39/98/1059193998.db2.gz XYPMNWGZMRYSLO-TZIWHRDSSA-N 2 1 312.501 4.170 20 30 DIEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246951133 1059195503 /nfs/dbraw/zinc/19/55/03/1059195503.db2.gz XYPMNWGZMRYSLO-CTNGQTDRSA-N 2 1 312.501 4.170 20 30 DIEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473661737 1061325772 /nfs/dbraw/zinc/32/57/72/1061325772.db2.gz BSGIWKNGJDMNIW-OYRHEFFESA-N 2 1 310.485 4.356 20 30 DIEDMP CCCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001252121847 1061582332 /nfs/dbraw/zinc/58/23/32/1061582332.db2.gz MRIVNNIQAQSFCO-FQEVSTJZSA-N 2 1 324.553 4.048 20 30 DIEDMP C=CCCCCCC[C@H](O)C[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253242567 1061842749 /nfs/dbraw/zinc/84/27/49/1061842749.db2.gz NGUGPJOARNQPNO-FQEVSTJZSA-N 2 1 324.553 4.070 20 30 DIEDMP C#CC[N@@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001474533271 1062219663 /nfs/dbraw/zinc/21/96/63/1062219663.db2.gz XZYUZWREAGVEQD-JOCHJYFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[N@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001474533271 1062219684 /nfs/dbraw/zinc/21/96/84/1062219684.db2.gz XZYUZWREAGVEQD-JOCHJYFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[NH+](C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533271 1062219708 /nfs/dbraw/zinc/21/97/08/1062219708.db2.gz XZYUZWREAGVEQD-JOCHJYFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C#CC[NH+](C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533271 1062219732 /nfs/dbraw/zinc/21/97/32/1062219732.db2.gz XZYUZWREAGVEQD-JOCHJYFZSA-N 2 1 324.512 4.022 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461120728 1063272141 /nfs/dbraw/zinc/27/21/41/1063272141.db2.gz LZMVJWYKRLTWPI-HLAWJBBLSA-N 2 1 312.501 4.233 20 30 DIEDMP CCCCCCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049320 1063482165 /nfs/dbraw/zinc/48/21/65/1063482165.db2.gz FCVLJTZYBMZILD-UYAOXDASSA-N 2 1 324.553 4.311 20 30 DIEDMP CCCCCCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258049333 1063482351 /nfs/dbraw/zinc/48/23/51/1063482351.db2.gz FEDFWVYXRQGZNO-GOSISDBHSA-N 2 1 324.553 4.311 20 30 DIEDMP CCCCCCCCCCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258052895 1063485607 /nfs/dbraw/zinc/48/56/07/1063485607.db2.gz UVSMJGJJNJNVRD-ZWKOTPCHSA-N 2 1 323.525 4.227 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723568 1063776747 /nfs/dbraw/zinc/77/67/47/1063776747.db2.gz YPELEJRYBDCKTI-KBAYOESNSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001258725337 1063778337 /nfs/dbraw/zinc/77/83/37/1063778337.db2.gz JBTUOBTUWDVMBY-HBFSDRIKSA-N 2 1 300.490 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536498376 332253117 /nfs/dbraw/zinc/25/31/17/332253117.db2.gz UNAXIEWMVXIPBL-LJQANCHMSA-N 2 1 318.892 4.348 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000152978965 332332269 /nfs/dbraw/zinc/33/22/69/332332269.db2.gz RBUFTZNECFTZTI-BBRMVZONSA-N 2 1 322.543 4.304 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000532514503 336253076 /nfs/dbraw/zinc/25/30/76/336253076.db2.gz AFEPDZIVHYTARP-RTWAWAEBSA-N 2 1 312.501 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000532514883 336253086 /nfs/dbraw/zinc/25/30/86/336253086.db2.gz SAODEZYUGAVCDL-MRXNPFEDSA-N 2 1 304.453 4.134 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000532514502 336253111 /nfs/dbraw/zinc/25/31/11/336253111.db2.gz AFEPDZIVHYTARP-NHCUHLMSSA-N 2 1 312.501 4.343 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000106245618 336389153 /nfs/dbraw/zinc/38/91/53/336389153.db2.gz FTEXYKBVOLMUSX-UHFFFAOYSA-N 2 1 300.471 4.031 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453102101 338794124 /nfs/dbraw/zinc/79/41/24/338794124.db2.gz OTFSITRDSBZGJZ-WMLDXEAASA-N 2 1 304.503 4.317 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)Cc2ccccc2)CC1 ZINC000462049445 339071469 /nfs/dbraw/zinc/07/14/69/339071469.db2.gz NZVLKDCXLXTBQP-FQEVSTJZSA-N 2 1 300.490 4.028 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000468366563 339260743 /nfs/dbraw/zinc/26/07/43/339260743.db2.gz HIAXCXUVRVDYCR-RTWAWAEBSA-N 2 1 312.501 4.261 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000468366562 339260778 /nfs/dbraw/zinc/26/07/78/339260778.db2.gz HIAXCXUVRVDYCR-NHCUHLMSSA-N 2 1 312.501 4.261 20 30 DIEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650035 340370946 /nfs/dbraw/zinc/37/09/46/340370946.db2.gz WNRAZXWDGHUDAX-HZPDHXFCSA-N 2 1 317.452 4.003 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000543773911 341057979 /nfs/dbraw/zinc/05/79/79/341057979.db2.gz OVFGLFBMNLQEAC-IBGZPJMESA-N 2 1 322.443 4.292 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000543773919 341058021 /nfs/dbraw/zinc/05/80/21/341058021.db2.gz OVFGLFBMNLQEAC-LJQANCHMSA-N 2 1 322.443 4.292 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544569538 341086139 /nfs/dbraw/zinc/08/61/39/341086139.db2.gz IAYVPQPYVMXIKH-IBGZPJMESA-N 2 1 318.892 4.348 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000574313579 341754922 /nfs/dbraw/zinc/75/49/22/341754922.db2.gz RVOXPYGPFSNCCG-HXUWFJFHSA-N 2 1 323.484 4.175 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208686 1036060758 /nfs/dbraw/zinc/06/07/58/1036060758.db2.gz XTOVOMKKLVRUPM-SFTDATJTSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208686 1036060771 /nfs/dbraw/zinc/06/07/71/1036060771.db2.gz XTOVOMKKLVRUPM-SFTDATJTSA-N 2 1 312.501 4.187 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209208686 1036060787 /nfs/dbraw/zinc/06/07/87/1036060787.db2.gz XTOVOMKKLVRUPM-SFTDATJTSA-N 2 1 312.501 4.187 20 30 DIEDMP C#CCCCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503771 1038480104 /nfs/dbraw/zinc/48/01/04/1038480104.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 2 1 312.501 4.024 20 30 DIEDMP C#CCCCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503771 1038480112 /nfs/dbraw/zinc/48/01/12/1038480112.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 2 1 312.501 4.024 20 30 DIEDMP C#CCCCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503771 1038480116 /nfs/dbraw/zinc/48/01/16/1038480116.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 2 1 312.501 4.024 20 30 DIEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271906812 1039881520 /nfs/dbraw/zinc/88/15/20/1039881520.db2.gz CEXSHKLCBJZGGK-CVEARBPZSA-N 2 1 317.452 4.003 20 30 DIEDMP C=C(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205208 1040110995 /nfs/dbraw/zinc/11/09/95/1040110995.db2.gz CPXMTWMJWBHYII-KNQAVFIVSA-N 2 1 320.480 4.200 20 30 DIEDMP CCCCCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000236638520 1042370827 /nfs/dbraw/zinc/37/08/27/1042370827.db2.gz YTKDLWNXBPXQSP-UHFFFAOYSA-N 2 1 318.505 4.220 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994254 1043070463 /nfs/dbraw/zinc/07/04/63/1043070463.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 2 1 310.485 4.080 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994254 1043070479 /nfs/dbraw/zinc/07/04/79/1043070479.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 2 1 310.485 4.080 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994254 1043070490 /nfs/dbraw/zinc/07/04/90/1043070490.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 2 1 310.485 4.080 20 30 DIEDMP C=CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994254 1043070503 /nfs/dbraw/zinc/07/05/03/1043070503.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 2 1 310.485 4.080 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004897 1043238701 /nfs/dbraw/zinc/23/87/01/1043238701.db2.gz BLJRNRDCCPZMTI-OPVJXMOQSA-N 2 1 312.501 4.210 20 30 DIEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004897 1043238710 /nfs/dbraw/zinc/23/87/10/1043238710.db2.gz BLJRNRDCCPZMTI-OPVJXMOQSA-N 2 1 312.501 4.210 20 30 DIEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000930117656 1043879556 /nfs/dbraw/zinc/87/95/56/1043879556.db2.gz SRNCFQONBJFMCT-UHFFFAOYSA-N 2 1 313.489 4.044 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474713522 1043896546 /nfs/dbraw/zinc/89/65/46/1043896546.db2.gz XVOPNKCHVFUISL-LJQANCHMSA-N 2 1 300.490 4.056 20 30 DIEDMP CC1([NH+]2CCCCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931610962 1044049534 /nfs/dbraw/zinc/04/95/34/1044049534.db2.gz RVYBSINTEKNKRN-UHFFFAOYSA-N 2 1 317.521 4.191 20 30 DIEDMP Cc1[nH]c(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886661213 1044677091 /nfs/dbraw/zinc/67/70/91/1044677091.db2.gz PFARNPDBWZXKHJ-UHFFFAOYSA-N 2 1 314.477 4.070 20 30 DIEDMP C=CC[C@H]1[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1(C)C ZINC000446827050 1045047213 /nfs/dbraw/zinc/04/72/13/1045047213.db2.gz LYDXTIRTULTJCM-LJQANCHMSA-N 2 1 324.472 4.142 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000579040144 1045290104 /nfs/dbraw/zinc/29/01/04/1045290104.db2.gz JJSBFFNWNDBXTC-UHFFFAOYSA-N 2 1 312.501 4.200 20 30 DIEDMP N#CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903176201 1046182601 /nfs/dbraw/zinc/18/26/01/1046182601.db2.gz ZKIJWELIZYFWHI-KRIYCRJKSA-N 2 1 323.484 4.169 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936182 1046990408 /nfs/dbraw/zinc/99/04/08/1046990408.db2.gz ZDGBHPXZHOPOOZ-CMKODMSKSA-N 2 1 300.490 4.089 20 30 DIEDMP C[NH+](C)C1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001168322722 1047444558 /nfs/dbraw/zinc/44/45/58/1047444558.db2.gz FXWITILOCDAYRC-UHFFFAOYSA-N 2 1 305.510 4.188 20 30 DIEDMP C=CCCC[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538121645 1047658182 /nfs/dbraw/zinc/65/81/82/1047658182.db2.gz AMMVLUWZYZHFOV-GOSISDBHSA-N 2 1 315.505 4.365 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652262 1047951316 /nfs/dbraw/zinc/95/13/16/1047951316.db2.gz PNTMSHFCIAGVOF-WCCBULMPSA-N 2 1 322.496 4.136 20 30 DIEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652262 1047951320 /nfs/dbraw/zinc/95/13/20/1047951320.db2.gz PNTMSHFCIAGVOF-WCCBULMPSA-N 2 1 322.496 4.136 20 30 DIEDMP CCCCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201814868 1048377335 /nfs/dbraw/zinc/37/73/35/1048377335.db2.gz SRVFEMUQZMVUKF-UHFFFAOYSA-N 2 1 303.494 4.289 20 30 DIEDMP CCCCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201846818 1048390646 /nfs/dbraw/zinc/39/06/46/1048390646.db2.gz MHKOHXJKMNPLQP-UHFFFAOYSA-N 2 1 324.553 4.312 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2SC)CC1 ZINC000194886347 1048946075 /nfs/dbraw/zinc/94/60/75/1048946075.db2.gz DHALNRRJEMHJHT-OAHLLOKOSA-N 2 1 304.503 4.100 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194886347 1048946084 /nfs/dbraw/zinc/94/60/84/1048946084.db2.gz DHALNRRJEMHJHT-OAHLLOKOSA-N 2 1 304.503 4.100 20 30 DIEDMP CC#CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194940851 1049452501 /nfs/dbraw/zinc/45/25/01/1049452501.db2.gz BPIVVZCXJMIXGB-QFIPXVFZSA-N 2 1 324.512 4.167 20 30 DIEDMP C=C(C)CN(C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638919 /nfs/dbraw/zinc/63/89/19/1049638919.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=C(C)C[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638928 /nfs/dbraw/zinc/63/89/28/1049638928.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=C(C)C[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638934 /nfs/dbraw/zinc/63/89/34/1049638934.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 2 1 322.496 4.410 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)(C)C[NH+](C)C)cc1 ZINC001168768675 1050195945 /nfs/dbraw/zinc/19/59/45/1050195945.db2.gz FVPSZWNTHDSLAP-LJQANCHMSA-N 2 1 315.505 4.009 20 30 DIEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594515367 1050524817 /nfs/dbraw/zinc/52/48/17/1050524817.db2.gz UHMGPADBLPLQHF-UHFFFAOYSA-N 2 1 315.505 4.086 20 30 DIEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555756 1050542973 /nfs/dbraw/zinc/54/29/73/1050542973.db2.gz HQSLYGHKYOTHQT-HZPDHXFCSA-N 2 1 304.469 4.432 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000773117238 1051066490 /nfs/dbraw/zinc/06/64/90/1051066490.db2.gz UJMZWBJEKKKKNS-COPCDDAFSA-N 2 1 324.512 4.384 20 30 DIEDMP CCCCCCC[C@H](CC)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172350112 1051365863 /nfs/dbraw/zinc/36/58/63/1051365863.db2.gz JRYRNOJJFLHIQM-IBGZPJMESA-N 2 1 317.521 4.471 20 30 DIEDMP CC(C)(C)C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173591519 1051756260 /nfs/dbraw/zinc/75/62/60/1051756260.db2.gz SWFJPSLIYYEOLF-CSGOCMEYSA-N 2 1 305.510 4.077 20 30 DIEDMP C=CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595821 1052515748 /nfs/dbraw/zinc/51/57/48/1052515748.db2.gz JVFDNXLBMRRSFD-FQEVSTJZSA-N 2 1 312.501 4.202 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000152979695 1053563608 /nfs/dbraw/zinc/56/36/08/1053563608.db2.gz YMFUQDWGZFGYNG-AWEZNQCLSA-N 2 1 322.493 4.239 20 30 DIEDMP C=CCCCCCCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397067 1054713871 /nfs/dbraw/zinc/71/38/71/1054713871.db2.gz OFZBHHHTPXLAKX-ZWKOTPCHSA-N 2 1 310.501 4.302 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429459 1054717112 /nfs/dbraw/zinc/71/71/12/1054717112.db2.gz YAGMCJOROIBSMN-VAMGGRTRSA-N 2 1 302.506 4.001 20 30 DIEDMP CCCCCCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC001235748101 1054799060 /nfs/dbraw/zinc/79/90/60/1054799060.db2.gz IPNCVHDIALLEAL-UHFFFAOYSA-N 2 1 318.505 4.349 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452314 1055122809 /nfs/dbraw/zinc/12/28/09/1055122809.db2.gz CRJXSYVVIINXPK-UHFFFAOYSA-N 2 1 306.881 4.250 20 30 DIEDMP C=CCCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236492656 1055145596 /nfs/dbraw/zinc/14/55/96/1055145596.db2.gz NXHYFXDYHYNROQ-UHFFFAOYSA-N 2 1 304.453 4.044 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236492656 1055145606 /nfs/dbraw/zinc/14/56/06/1055145606.db2.gz NXHYFXDYHYNROQ-UHFFFAOYSA-N 2 1 304.453 4.044 20 30 DIEDMP C=CCCCC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533859 1055165509 /nfs/dbraw/zinc/16/55/09/1055165509.db2.gz JDTXMHRJRRLMKQ-IYARVYRRSA-N 2 1 304.453 4.254 20 30 DIEDMP CCCCCCCCCCC[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236623405 1055205423 /nfs/dbraw/zinc/20/54/23/1055205423.db2.gz UDOBUSHKZCYIQG-HXUWFJFHSA-N 2 1 323.569 4.015 20 30 DIEDMP CCCCCCC[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236665352 1055222684 /nfs/dbraw/zinc/22/26/84/1055222684.db2.gz UPUSOAYJWANFQP-UAPYVXQJSA-N 2 1 303.494 4.124 20 30 DIEDMP C=CC[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C(C)(C)C ZINC001236908384 1055310840 /nfs/dbraw/zinc/31/08/40/1055310840.db2.gz HJSBYTLBPMMMRO-UHFFFAOYSA-N 2 1 303.837 4.312 20 30 DIEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399802 1057017781 /nfs/dbraw/zinc/01/77/81/1057017781.db2.gz FGBBAMVNAJGSME-KRWDZBQOSA-N 2 1 313.489 4.063 20 30 DIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244326292 1057934165 /nfs/dbraw/zinc/93/41/65/1057934165.db2.gz HCRSQWMBQOTCKA-OAQYLSRUSA-N 2 1 322.452 4.014 20 30 DIEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067629 1058663690 /nfs/dbraw/zinc/66/36/90/1058663690.db2.gz GBEJMDJUQDLSKZ-VAMGGRTRSA-N 2 1 324.553 4.080 20 30 DIEDMP CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246241454 1058763401 /nfs/dbraw/zinc/76/34/01/1058763401.db2.gz RWBMYALXMNYFFP-QZTJIDSGSA-N 2 1 300.531 4.249 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246316677 1058827074 /nfs/dbraw/zinc/82/70/74/1058827074.db2.gz JFYGCZGAEJXLDM-GVDBMIGSSA-N 2 1 316.489 4.211 20 30 DIEDMP CCCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542853 1058993340 /nfs/dbraw/zinc/99/33/40/1058993340.db2.gz LSYJESMSZPNIGY-MOPGFXCFSA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561297 1059002263 /nfs/dbraw/zinc/00/22/63/1059002263.db2.gz WCXBUPIAVLFFPU-JKSUJKDBSA-N 2 1 304.469 4.432 20 30 DIEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635567 1059044330 /nfs/dbraw/zinc/04/43/30/1059044330.db2.gz CQBDZAKPUGAXJT-HOTGVXAUSA-N 2 1 302.453 4.056 20 30 DIEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246638291 1059044430 /nfs/dbraw/zinc/04/44/30/1059044430.db2.gz LKBALMSYAVDMBX-IAGOWNOFSA-N 2 1 316.480 4.446 20 30 DIEDMP CC(C)(C)[C@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771237 1059072372 /nfs/dbraw/zinc/07/23/72/1059072372.db2.gz XAXZNCNMGFEEGW-RBUKOAKNSA-N 2 1 319.537 4.482 20 30 DIEDMP CC(C)(C)[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771237 1059072395 /nfs/dbraw/zinc/07/23/95/1059072395.db2.gz XAXZNCNMGFEEGW-RBUKOAKNSA-N 2 1 319.537 4.482 20 30 DIEDMP CC(C)(C)[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771235 1059075107 /nfs/dbraw/zinc/07/51/07/1059075107.db2.gz XAXZNCNMGFEEGW-OALUTQOASA-N 2 1 319.537 4.482 20 30 DIEDMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771235 1059075124 /nfs/dbraw/zinc/07/51/24/1059075124.db2.gz XAXZNCNMGFEEGW-OALUTQOASA-N 2 1 319.537 4.482 20 30 DIEDMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890689 1059154488 /nfs/dbraw/zinc/15/44/88/1059154488.db2.gz KCRUZRICXCIMGM-ZWKOTPCHSA-N 2 1 321.468 4.119 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246962910 1059206122 /nfs/dbraw/zinc/20/61/22/1059206122.db2.gz WIJICXZZVAHOER-INIZCTEOSA-N 2 1 304.453 4.043 20 30 DIEDMP CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246979705 1059224525 /nfs/dbraw/zinc/22/45/25/1059224525.db2.gz ZTVCRYPWTYCTBS-UYAOXDASSA-N 2 1 323.569 4.013 20 30 DIEDMP C=C1C[C@@H]2CC([N@H+]3Cc4ccccc4C34CC[NH2+]CC4)C[C@H](C1)C2 ZINC001247006844 1059232770 /nfs/dbraw/zinc/23/27/70/1059232770.db2.gz FIDZMRMRTAEDJE-UFRUDQCGSA-N 2 1 322.496 4.216 20 30 DIEDMP C#Cc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001474373506 1062012322 /nfs/dbraw/zinc/01/23/22/1062012322.db2.gz MGYINNABURUBPE-IBGZPJMESA-N 2 1 324.512 4.144 20 30 DIEDMP C=CC[NH+]([C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560698 1062881035 /nfs/dbraw/zinc/88/10/35/1062881035.db2.gz SODYIGXSDYNBGN-IEBWSBKVSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[NH+]([C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560698 1062881051 /nfs/dbraw/zinc/88/10/51/1062881051.db2.gz SODYIGXSDYNBGN-IEBWSBKVSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@@H+]([C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560698 1062881069 /nfs/dbraw/zinc/88/10/69/1062881069.db2.gz SODYIGXSDYNBGN-IEBWSBKVSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@H+]([C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560698 1062881089 /nfs/dbraw/zinc/88/10/89/1062881089.db2.gz SODYIGXSDYNBGN-IEBWSBKVSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001461056893 1063221064 /nfs/dbraw/zinc/22/10/64/1063221064.db2.gz OGKTXCDRQYSNCR-GHTZIAJQSA-N 2 1 312.501 4.294 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258004122 1063458746 /nfs/dbraw/zinc/45/87/46/1063458746.db2.gz CJSLBQUQJYRNIM-QGZVFWFLSA-N 2 1 316.489 4.022 20 30 DIEDMP C=CCC[C@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001258721955 1063776521 /nfs/dbraw/zinc/77/65/21/1063776521.db2.gz JNPHZRNYVISWRQ-YFWVXDPYSA-N 2 1 312.501 4.469 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724448 1063779139 /nfs/dbraw/zinc/77/91/39/1063779139.db2.gz WRBZUODBSLUGGA-IHPCNDPISA-N 2 1 300.490 4.422 20 30 DIEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001258725336 1063779397 /nfs/dbraw/zinc/77/93/97/1063779397.db2.gz JBTUOBTUWDVMBY-GGPKGHCWSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724224 1063779740 /nfs/dbraw/zinc/77/97/40/1063779740.db2.gz QNCAPXBPBMFGIX-IHPCNDPISA-N 2 1 300.490 4.422 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001258734296 1063784434 /nfs/dbraw/zinc/78/44/34/1063784434.db2.gz WFOOJAFTBXBLRM-INIZCTEOSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001258734296 1063784443 /nfs/dbraw/zinc/78/44/43/1063784443.db2.gz WFOOJAFTBXBLRM-INIZCTEOSA-N 2 1 304.453 4.077 20 30 DIEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001258734023 1063784773 /nfs/dbraw/zinc/78/47/73/1063784773.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001258734023 1063784781 /nfs/dbraw/zinc/78/47/81/1063784781.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001258734023 1063784786 /nfs/dbraw/zinc/78/47/86/1063784786.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976564 1066429060 /nfs/dbraw/zinc/42/90/60/1066429060.db2.gz XLUOFVCQORYYRP-NRDMVMEKSA-N 2 1 312.501 4.231 20 30 DIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357985 333298348 /nfs/dbraw/zinc/29/83/48/333298348.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000364357985 333298350 /nfs/dbraw/zinc/29/83/50/333298350.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000364357985 333298352 /nfs/dbraw/zinc/29/83/52/333298352.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 2 1 319.537 4.293 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390578774 333302815 /nfs/dbraw/zinc/30/28/15/333302815.db2.gz DJWBZAWRSKYNSE-HKUYNNGSSA-N 2 1 300.490 4.231 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390578774 333302816 /nfs/dbraw/zinc/30/28/16/333302816.db2.gz DJWBZAWRSKYNSE-HKUYNNGSSA-N 2 1 300.490 4.231 20 30 DIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174402591 337141692 /nfs/dbraw/zinc/14/16/92/337141692.db2.gz OIQNHTUEBFAPBH-QGZVFWFLSA-N 2 1 313.489 4.132 20 30 DIEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000439082704 338360587 /nfs/dbraw/zinc/36/05/87/338360587.db2.gz FIPFLNWKQIOJNH-OAQYLSRUSA-N 2 1 312.501 4.294 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463272034 339112879 /nfs/dbraw/zinc/11/28/79/339112879.db2.gz NNCWMRWTFLDGHL-NLWGTHIKSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463272034 339112880 /nfs/dbraw/zinc/11/28/80/339112880.db2.gz NNCWMRWTFLDGHL-NLWGTHIKSA-N 2 1 300.490 4.374 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544569553 341086186 /nfs/dbraw/zinc/08/61/86/341086186.db2.gz IAYVPQPYVMXIKH-LJQANCHMSA-N 2 1 318.892 4.348 20 30 DIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009182 341329094 /nfs/dbraw/zinc/32/90/94/341329094.db2.gz QTPIMQWWEOOCGQ-ORYQWCPZSA-N 2 1 319.452 4.044 20 30 DIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009182 341329095 /nfs/dbraw/zinc/32/90/95/341329095.db2.gz QTPIMQWWEOOCGQ-ORYQWCPZSA-N 2 1 319.452 4.044 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276452 341383364 /nfs/dbraw/zinc/38/33/64/341383364.db2.gz YIRPHFFFSBQMDQ-ZWKOTPCHSA-N 2 1 304.478 4.245 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276452 341383365 /nfs/dbraw/zinc/38/33/65/341383365.db2.gz YIRPHFFFSBQMDQ-ZWKOTPCHSA-N 2 1 304.478 4.245 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000153012421 341518445 /nfs/dbraw/zinc/51/84/45/341518445.db2.gz XDUAIVJYRDFJSA-VQTJNVASSA-N 2 1 316.464 4.092 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000153011599 341518451 /nfs/dbraw/zinc/51/84/51/341518451.db2.gz DFAXQKHKTFADJM-QGZVFWFLSA-N 2 1 306.519 4.465 20 30 DIEDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379624763 1037040850 /nfs/dbraw/zinc/04/08/50/1037040850.db2.gz JUIGJVKVJKFPKH-MSOLQXFVSA-N 2 1 321.468 4.119 20 30 DIEDMP C=C(C)C[NH+]1CCC(N[C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541736403 1039733828 /nfs/dbraw/zinc/73/38/28/1039733828.db2.gz INYMJLPUZWRRSN-IBGZPJMESA-N 2 1 302.462 4.059 20 30 DIEDMP CCCCCCCOc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000236638695 1041398173 /nfs/dbraw/zinc/39/81/73/1041398173.db2.gz KDJFZQXQNXGJPZ-UHFFFAOYSA-N 2 1 318.505 4.220 20 30 DIEDMP C=CCCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743314 1041590983 /nfs/dbraw/zinc/59/09/83/1041590983.db2.gz WSPRGEJHNJEUQQ-QUCCMNQESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001170668146 1041603391 /nfs/dbraw/zinc/60/33/91/1041603391.db2.gz ATWFDURUCLDJGE-UHFFFAOYSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000651718892 1041892681 /nfs/dbraw/zinc/89/26/81/1041892681.db2.gz CDTGMQFIAITAHJ-VXIBKDFQSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000651718892 1041892687 /nfs/dbraw/zinc/89/26/87/1041892687.db2.gz CDTGMQFIAITAHJ-VXIBKDFQSA-N 2 1 318.530 4.465 20 30 DIEDMP Cc1[nH]c(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)[nH+]c1C ZINC000931749406 1044066148 /nfs/dbraw/zinc/06/61/48/1044066148.db2.gz SMFIGQPECQWKTR-UHFFFAOYSA-N 2 1 314.477 4.070 20 30 DIEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411629619 1045022891 /nfs/dbraw/zinc/02/28/91/1045022891.db2.gz DMORJJURZQHXNK-UHFFFAOYSA-N 2 1 316.493 4.022 20 30 DIEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411629619 1045022902 /nfs/dbraw/zinc/02/29/02/1045022902.db2.gz DMORJJURZQHXNK-UHFFFAOYSA-N 2 1 316.493 4.022 20 30 DIEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000153677613 1045060284 /nfs/dbraw/zinc/06/02/84/1045060284.db2.gz ZNFYUHHIBBEZBR-INIZCTEOSA-N 2 1 311.473 4.006 20 30 DIEDMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792532 1046072884 /nfs/dbraw/zinc/07/28/84/1046072884.db2.gz BLYAOILSVMZDIN-OAQYLSRUSA-N 2 1 321.468 4.251 20 30 DIEDMP N#CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903176202 1046182874 /nfs/dbraw/zinc/18/28/74/1046182874.db2.gz ZKIJWELIZYFWHI-VCYXJBJXSA-N 2 1 323.484 4.169 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC001139360600 1046437212 /nfs/dbraw/zinc/43/72/12/1046437212.db2.gz YHUIEEODHINCPH-UHFFFAOYSA-N 2 1 317.436 4.451 20 30 DIEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130511 1046713254 /nfs/dbraw/zinc/71/32/54/1046713254.db2.gz JPSJUERFWROORY-NVXWUHKLSA-N 2 1 319.518 4.051 20 30 DIEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130511 1046713266 /nfs/dbraw/zinc/71/32/66/1046713266.db2.gz JPSJUERFWROORY-NVXWUHKLSA-N 2 1 319.518 4.051 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CCC)c2ccccc2)CC1 ZINC000537301845 1047163147 /nfs/dbraw/zinc/16/31/47/1047163147.db2.gz MPLRWEWANZUYLR-LJQANCHMSA-N 2 1 300.490 4.200 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538099993 1047657078 /nfs/dbraw/zinc/65/70/78/1047657078.db2.gz ABQVAYKGYHXURF-HXUWFJFHSA-N 2 1 316.464 4.215 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000482620093 1048646876 /nfs/dbraw/zinc/64/68/76/1048646876.db2.gz OCUHUSSTRKGAHK-OAQYLSRUSA-N 2 1 314.517 4.274 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000482632216 1048651893 /nfs/dbraw/zinc/65/18/93/1048651893.db2.gz UQNHCTCISSQBAH-FQEVSTJZSA-N 2 1 300.490 4.404 20 30 DIEDMP CCCCCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734299 1049546666 /nfs/dbraw/zinc/54/66/66/1049546666.db2.gz DBEVVMRSLSOJMW-MRXNPFEDSA-N 2 1 304.469 4.433 20 30 DIEDMP CC[NH+]1CCC(C[N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001208598959 1049997740 /nfs/dbraw/zinc/99/77/40/1049997740.db2.gz BNVPMRSKJZWZST-UHFFFAOYSA-N 2 1 305.510 4.047 20 30 DIEDMP C=CCCCC[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946726 1050026421 /nfs/dbraw/zinc/02/64/21/1050026421.db2.gz WIOKRNFLZHHAGT-HXUWFJFHSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208946726 1050026427 /nfs/dbraw/zinc/02/64/27/1050026427.db2.gz WIOKRNFLZHHAGT-HXUWFJFHSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208946726 1050026431 /nfs/dbraw/zinc/02/64/31/1050026431.db2.gz WIOKRNFLZHHAGT-HXUWFJFHSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209428895 1050057452 /nfs/dbraw/zinc/05/74/52/1050057452.db2.gz ORRYCLRKJJGKBM-HXUWFJFHSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209428895 1050057455 /nfs/dbraw/zinc/05/74/55/1050057455.db2.gz ORRYCLRKJJGKBM-HXUWFJFHSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209441763 1050059453 /nfs/dbraw/zinc/05/94/53/1050059453.db2.gz LSOUQDGQYRYAIG-UHFFFAOYSA-N 2 1 315.505 4.455 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001209438996 1050059591 /nfs/dbraw/zinc/05/95/91/1050059591.db2.gz FDWNEDXBBXERBZ-FQEVSTJZSA-N 2 1 322.537 4.088 20 30 DIEDMP C=CCCCCCCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001209438996 1050059597 /nfs/dbraw/zinc/05/95/97/1050059597.db2.gz FDWNEDXBBXERBZ-FQEVSTJZSA-N 2 1 322.537 4.088 20 30 DIEDMP C=CCCCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001209444510 1050060596 /nfs/dbraw/zinc/06/05/96/1050060596.db2.gz RYVRHSZUJCXPSL-UHFFFAOYSA-N 2 1 321.509 4.033 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000592291161 1050287485 /nfs/dbraw/zinc/28/74/85/1050287485.db2.gz QWUOPHOKOBIJHC-UHFFFAOYSA-N 2 1 320.480 4.484 20 30 DIEDMP C=CC[C@@H](CCCC)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218438700 1052238416 /nfs/dbraw/zinc/23/84/16/1052238416.db2.gz NMTRZKUSLRUFIJ-IBGZPJMESA-N 2 1 316.489 4.123 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000236689755 1052428476 /nfs/dbraw/zinc/42/84/76/1052428476.db2.gz ZDZWJSQZPQGBPO-UHFFFAOYSA-N 2 1 313.272 4.124 20 30 DIEDMP C=CCCCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595822 1052515922 /nfs/dbraw/zinc/51/59/22/1052515922.db2.gz JVFDNXLBMRRSFD-HXUWFJFHSA-N 2 1 312.501 4.202 20 30 DIEDMP CCCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090654 1054652886 /nfs/dbraw/zinc/65/28/86/1054652886.db2.gz RXAJCODBQHUZNO-QGZVFWFLSA-N 2 1 316.480 4.448 20 30 DIEDMP CCCCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248718 1054692039 /nfs/dbraw/zinc/69/20/39/1054692039.db2.gz ZDQGYZRVVJJWLU-WOJBJXKFSA-N 2 1 300.490 4.178 20 30 DIEDMP CCCCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248718 1054692042 /nfs/dbraw/zinc/69/20/42/1054692042.db2.gz ZDQGYZRVVJJWLU-WOJBJXKFSA-N 2 1 300.490 4.178 20 30 DIEDMP C=CCCCCCCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397065 1054713744 /nfs/dbraw/zinc/71/37/44/1054713744.db2.gz OFZBHHHTPXLAKX-QZTJIDSGSA-N 2 1 310.501 4.302 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235429453 1054717992 /nfs/dbraw/zinc/71/79/92/1054717992.db2.gz YAGMCJOROIBSMN-AQNXPRMDSA-N 2 1 302.506 4.001 20 30 DIEDMP CCCCCCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235474757 1054730489 /nfs/dbraw/zinc/73/04/89/1054730489.db2.gz UNDZKPSQSWBFGI-UHFFFAOYSA-N 2 1 318.505 4.220 20 30 DIEDMP CCCCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367338 1055077648 /nfs/dbraw/zinc/07/76/48/1055077648.db2.gz NZQTUEWVWMFZAS-UHFFFAOYSA-N 2 1 306.469 4.350 20 30 DIEDMP CCCCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367338 1055077659 /nfs/dbraw/zinc/07/76/59/1055077659.db2.gz NZQTUEWVWMFZAS-UHFFFAOYSA-N 2 1 306.469 4.350 20 30 DIEDMP CCCCCCC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236439004 1055113322 /nfs/dbraw/zinc/11/33/22/1055113322.db2.gz DBYRZZIOPLHKEU-UHFFFAOYSA-N 2 1 318.505 4.220 20 30 DIEDMP C=CCCCCC[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481364 1055138358 /nfs/dbraw/zinc/13/83/58/1055138358.db2.gz TVBKCOCTUVAUBD-UHFFFAOYSA-N 2 1 318.480 4.435 20 30 DIEDMP C=CCCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236501959 1055150474 /nfs/dbraw/zinc/15/04/74/1055150474.db2.gz KWLWGEJICYVSMY-UHFFFAOYSA-N 2 1 322.443 4.265 20 30 DIEDMP C=CCCCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236501959 1055150478 /nfs/dbraw/zinc/15/04/78/1055150478.db2.gz KWLWGEJICYVSMY-UHFFFAOYSA-N 2 1 322.443 4.265 20 30 DIEDMP C=CCCCCC[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509420 1055152473 /nfs/dbraw/zinc/15/24/73/1055152473.db2.gz LOGPFZHESCYSSM-UHFFFAOYSA-N 2 1 318.480 4.435 20 30 DIEDMP CCCCCCCC[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553756 1055181681 /nfs/dbraw/zinc/18/16/81/1055181681.db2.gz SBLKRMNVMBWRNH-IYARVYRRSA-N 2 1 310.526 4.098 20 30 DIEDMP C=CCCCC[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702068 1055233917 /nfs/dbraw/zinc/23/39/17/1055233917.db2.gz YJFJKUYCTQMNIK-WGSAOQKQSA-N 2 1 316.489 4.123 20 30 DIEDMP C=CCCCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274422 1055413375 /nfs/dbraw/zinc/41/33/75/1055413375.db2.gz CFFKXKHYDGWKNA-UHFFFAOYSA-N 2 1 312.501 4.260 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282335358 1056907520 /nfs/dbraw/zinc/90/75/20/1056907520.db2.gz OLOBDCBQZHARDC-ZLPCBKJTSA-N 2 1 322.456 4.161 20 30 DIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639096 1057490641 /nfs/dbraw/zinc/49/06/41/1057490641.db2.gz FWZVTPVWCFIYFZ-PZJWPPBQSA-N 2 1 312.501 4.233 20 30 DIEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245899279 1058606011 /nfs/dbraw/zinc/60/60/11/1058606011.db2.gz DBXZILVFPZXPFX-HXUWFJFHSA-N 2 1 303.409 4.324 20 30 DIEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025709 1058656857 /nfs/dbraw/zinc/65/68/57/1058656857.db2.gz ZIJZINYKOSDVPD-RBUKOAKNSA-N 2 1 312.542 4.081 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319295 1058829518 /nfs/dbraw/zinc/82/95/18/1058829518.db2.gz VRLKVMRVFAHMAB-BXWFABGCSA-N 2 1 316.489 4.069 20 30 DIEDMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCCCCCS)CC[NH2+]1 ZINC001246461480 1058951077 /nfs/dbraw/zinc/95/10/77/1058951077.db2.gz BQWFTUNDGOTXFY-AEFFLSMTSA-N 2 1 324.509 4.007 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796290 1059102721 /nfs/dbraw/zinc/10/27/21/1059102721.db2.gz PSIJNSFYAXRXAR-PMACEKPBSA-N 2 1 300.490 4.376 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839910 1059117028 /nfs/dbraw/zinc/11/70/28/1059117028.db2.gz LFYRYBHCYIMICS-FCHUYYIVSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839910 1059117040 /nfs/dbraw/zinc/11/70/40/1059117040.db2.gz LFYRYBHCYIMICS-FCHUYYIVSA-N 2 1 320.480 4.038 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838025 1059119057 /nfs/dbraw/zinc/11/90/57/1059119057.db2.gz ACJBVCNSQCKJSL-LEWJYISDSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838025 1059119068 /nfs/dbraw/zinc/11/90/68/1059119068.db2.gz ACJBVCNSQCKJSL-LEWJYISDSA-N 2 1 306.453 4.168 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246868652 1059140684 /nfs/dbraw/zinc/14/06/84/1059140684.db2.gz CONIMIAPBPWGMV-PKOBYXMFSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246868652 1059140689 /nfs/dbraw/zinc/14/06/89/1059140689.db2.gz CONIMIAPBPWGMV-PKOBYXMFSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246868650 1059141409 /nfs/dbraw/zinc/14/14/09/1059141409.db2.gz CONIMIAPBPWGMV-IEBWSBKVSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246868650 1059141422 /nfs/dbraw/zinc/14/14/22/1059141422.db2.gz CONIMIAPBPWGMV-IEBWSBKVSA-N 2 1 304.453 4.215 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246945312 1059191540 /nfs/dbraw/zinc/19/15/40/1059191540.db2.gz GNCPYVLGAAHNAE-OAHLLOKOSA-N 2 1 306.881 4.249 20 30 DIEDMP CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246979702 1059224222 /nfs/dbraw/zinc/22/42/22/1059224222.db2.gz ZTVCRYPWTYCTBS-AZUAARDMSA-N 2 1 323.569 4.013 20 30 DIEDMP C#CCCCCCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069679 1059882141 /nfs/dbraw/zinc/88/21/41/1059882141.db2.gz YICPEEWNFKQAIE-HXUWFJFHSA-N 2 1 304.522 4.157 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560798070 1060658357 /nfs/dbraw/zinc/65/83/57/1060658357.db2.gz WTOQVQZNABFCRU-AZUAARDMSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560963652 1060830439 /nfs/dbraw/zinc/83/04/39/1060830439.db2.gz UEDGTEUWGQZRJS-ICSRJNTNSA-N 2 1 314.517 4.479 20 30 DIEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001473408890 1061143145 /nfs/dbraw/zinc/14/31/45/1061143145.db2.gz NFTQIJIKTZQVRV-CTNGQTDRSA-N 2 1 312.501 4.070 20 30 DIEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001473408890 1061143152 /nfs/dbraw/zinc/14/31/52/1061143152.db2.gz NFTQIJIKTZQVRV-CTNGQTDRSA-N 2 1 312.501 4.070 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001473922979 1061473070 /nfs/dbraw/zinc/47/30/70/1061473070.db2.gz RGSHEXOPWYBKBN-CTNGQTDRSA-N 2 1 312.501 4.028 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001473981453 1061524826 /nfs/dbraw/zinc/52/48/26/1061524826.db2.gz JDSJHOJJMYYHBT-UHFFFAOYSA-N 2 1 310.485 4.181 20 30 DIEDMP C=CC(C)(C)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001474218673 1061777097 /nfs/dbraw/zinc/77/70/97/1061777097.db2.gz DKNMCSZTWBBTOQ-UHFFFAOYSA-N 2 1 302.506 4.337 20 30 DIEDMP C=CCCCC[N@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409200 1062440242 /nfs/dbraw/zinc/44/02/42/1062440242.db2.gz SYVKLGMHAMLZNT-FQEVSTJZSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409200 1062440255 /nfs/dbraw/zinc/44/02/55/1062440255.db2.gz SYVKLGMHAMLZNT-FQEVSTJZSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CCCCC[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409200 1062440274 /nfs/dbraw/zinc/44/02/74/1062440274.db2.gz SYVKLGMHAMLZNT-FQEVSTJZSA-N 2 1 300.490 4.329 20 30 DIEDMP C=CC[N@H+]([C@@H]1CCC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410105 1062445445 /nfs/dbraw/zinc/44/54/45/1062445445.db2.gz QWIQEDGSZIABNJ-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[N@@H+]([C@@H]1CCC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410105 1062445461 /nfs/dbraw/zinc/44/54/61/1062445461.db2.gz QWIQEDGSZIABNJ-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[NH+]([C@@H]1CCC[N@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410105 1062445477 /nfs/dbraw/zinc/44/54/77/1062445477.db2.gz QWIQEDGSZIABNJ-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=CC[NH+]([C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255410105 1062445489 /nfs/dbraw/zinc/44/54/89/1062445489.db2.gz QWIQEDGSZIABNJ-LJQANCHMSA-N 2 1 300.490 4.328 20 30 DIEDMP C=C(C)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460542697 1062902858 /nfs/dbraw/zinc/90/28/58/1062902858.db2.gz KZKXFXWDLRFRID-HXUWFJFHSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860503 1063019846 /nfs/dbraw/zinc/01/98/46/1063019846.db2.gz CVBLIVUFSVCFNQ-UHFFFAOYSA-N 2 1 321.468 4.129 20 30 DIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461120733 1063272072 /nfs/dbraw/zinc/27/20/72/1063272072.db2.gz LZMVJWYKRLTWPI-HMXCVIKNSA-N 2 1 312.501 4.233 20 30 DIEDMP CCCCCCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258043131 1063474722 /nfs/dbraw/zinc/47/47/22/1063474722.db2.gz JSPFTSPZMPZNPT-FHWLQOOXSA-N 2 1 324.553 4.486 20 30 DIEDMP CCCCCCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258049334 1063482405 /nfs/dbraw/zinc/48/24/05/1063482405.db2.gz FEDFWVYXRQGZNO-SFHVURJKSA-N 2 1 324.553 4.311 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724034 1063779516 /nfs/dbraw/zinc/77/95/16/1063779516.db2.gz LOKSKFDCZDNCGE-SNRMKQJTSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001307761347 1065609417 /nfs/dbraw/zinc/60/94/17/1065609417.db2.gz FFMZSWRFZVBLDJ-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307761347 1065609421 /nfs/dbraw/zinc/60/94/21/1065609421.db2.gz FFMZSWRFZVBLDJ-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=CCCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307761347 1065609425 /nfs/dbraw/zinc/60/94/25/1065609425.db2.gz FFMZSWRFZVBLDJ-OAQYLSRUSA-N 2 1 312.501 4.331 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464093547 332641982 /nfs/dbraw/zinc/64/19/82/332641982.db2.gz HILHRBAMYUGQFG-VQTJNVASSA-N 2 1 312.501 4.199 20 30 DIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCC(C)(C)C#N)C1 ZINC000364357989 333298275 /nfs/dbraw/zinc/29/82/75/333298275.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000364357989 333298277 /nfs/dbraw/zinc/29/82/77/333298277.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 2 1 319.537 4.293 20 30 DIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000364357989 333298279 /nfs/dbraw/zinc/29/82/79/333298279.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 2 1 319.537 4.293 20 30 DIEDMP C=CCCC[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682841 338223260 /nfs/dbraw/zinc/22/32/60/338223260.db2.gz BFQJFVGGNNXVEO-MRXNPFEDSA-N 2 1 301.478 4.144 20 30 DIEDMP C=CCC[C@@H](CCC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462110839 339072366 /nfs/dbraw/zinc/07/23/66/339072366.db2.gz JRLOOLVNBLSKIW-GOSISDBHSA-N 2 1 322.537 4.135 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000468366564 339260692 /nfs/dbraw/zinc/26/06/92/339260692.db2.gz HIAXCXUVRVDYCR-SFTDATJTSA-N 2 1 312.501 4.261 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000468366289 339260701 /nfs/dbraw/zinc/26/07/01/339260701.db2.gz FEKJXATYYGTAEB-PZJWPPBQSA-N 2 1 312.501 4.028 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000550855980 341324569 /nfs/dbraw/zinc/32/45/69/341324569.db2.gz GJGSYZDRBANGSZ-MJGOQNOKSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000550855980 341324570 /nfs/dbraw/zinc/32/45/70/341324570.db2.gz GJGSYZDRBANGSZ-MJGOQNOKSA-N 2 1 300.490 4.089 20 30 DIEDMP C=CC[C@H](CC)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551305356 341337782 /nfs/dbraw/zinc/33/77/82/341337782.db2.gz WQIBOHOAUPZDCC-HDYDNRTBSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276451 341383287 /nfs/dbraw/zinc/38/32/87/341383287.db2.gz YIRPHFFFSBQMDQ-ROUUACIJSA-N 2 1 304.478 4.245 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276451 341383288 /nfs/dbraw/zinc/38/32/88/341383288.db2.gz YIRPHFFFSBQMDQ-ROUUACIJSA-N 2 1 304.478 4.245 20 30 DIEDMP CC[N@@H+](CCC1CC[NH+](CC(C)(C)CCC#N)CC1)CC1CC1 ZINC000539958285 1039395954 /nfs/dbraw/zinc/39/59/54/1039395954.db2.gz PMDXXMGXDBQNNK-UHFFFAOYSA-N 2 1 319.537 4.150 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000245926595 1039401434 /nfs/dbraw/zinc/40/14/34/1039401434.db2.gz HZZLBGZNUITMKP-AOIWGVFYSA-N 2 1 318.530 4.465 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000245926595 1039401445 /nfs/dbraw/zinc/40/14/45/1039401445.db2.gz HZZLBGZNUITMKP-AOIWGVFYSA-N 2 1 318.530 4.465 20 30 DIEDMP C#CC[N@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001167824737 1042212768 /nfs/dbraw/zinc/21/27/68/1042212768.db2.gz GBUARFOCPMAJRS-WIYYLYMNSA-N 2 1 312.501 4.120 20 30 DIEDMP C=CCCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000562509666 1044124561 /nfs/dbraw/zinc/12/45/61/1044124561.db2.gz FGBWBJLZZNOMRG-UHFFFAOYSA-N 2 1 300.490 4.376 20 30 DIEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444600161 1044575210 /nfs/dbraw/zinc/57/52/10/1044575210.db2.gz SPPTYTITVNZPMY-UHFFFAOYSA-N 2 1 307.526 4.150 20 30 DIEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447541652 1045143395 /nfs/dbraw/zinc/14/33/95/1045143395.db2.gz NCMAFRXHSXSAHM-YLJYHZDGSA-N 2 1 313.489 4.111 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136432 1045228741 /nfs/dbraw/zinc/22/87/41/1045228741.db2.gz OSTUPTGMXZOYAB-HLLBOEOZSA-N 2 1 319.518 4.049 20 30 DIEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136432 1045228735 /nfs/dbraw/zinc/22/87/35/1045228735.db2.gz OSTUPTGMXZOYAB-HLLBOEOZSA-N 2 1 319.518 4.049 20 30 DIEDMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792531 1046072216 /nfs/dbraw/zinc/07/22/16/1046072216.db2.gz BLYAOILSVMZDIN-NRFANRHFSA-N 2 1 321.468 4.251 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000538394287 1047674299 /nfs/dbraw/zinc/67/42/99/1047674299.db2.gz VBPHPPHWKNDDCC-SFHVURJKSA-N 2 1 314.517 4.373 20 30 DIEDMP C=CCC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984528 1048080512 /nfs/dbraw/zinc/08/05/12/1048080512.db2.gz RJFXGUQATZFYAM-HXUWFJFHSA-N 2 1 312.501 4.185 20 30 DIEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001200942361 1048166497 /nfs/dbraw/zinc/16/64/97/1048166497.db2.gz OULCICDDXKPJCX-GGPKGHCWSA-N 2 1 300.490 4.231 20 30 DIEDMP CCCCCCCCCN1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201847352 1048389943 /nfs/dbraw/zinc/38/99/43/1048389943.db2.gz VFZREFIDOIBYJI-HXUWFJFHSA-N 2 1 324.553 4.312 20 30 DIEDMP CCCCCCCCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201847352 1048389964 /nfs/dbraw/zinc/38/99/64/1048389964.db2.gz VFZREFIDOIBYJI-HXUWFJFHSA-N 2 1 324.553 4.312 20 30 DIEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001190406289 1048728336 /nfs/dbraw/zinc/72/83/36/1048728336.db2.gz GCMGNOPBWMVCDG-UHFFFAOYSA-N 2 1 319.537 4.294 20 30 DIEDMP C=CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001207294733 1049878107 /nfs/dbraw/zinc/87/81/07/1049878107.db2.gz RQHOPRVMHIJJAP-UHFFFAOYSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942086 1050028514 /nfs/dbraw/zinc/02/85/14/1050028514.db2.gz GEYDJDHKBUUFBQ-IBGZPJMESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942086 1050028519 /nfs/dbraw/zinc/02/85/19/1050028519.db2.gz GEYDJDHKBUUFBQ-IBGZPJMESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942086 1050028523 /nfs/dbraw/zinc/02/85/23/1050028523.db2.gz GEYDJDHKBUUFBQ-IBGZPJMESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942086 1050028530 /nfs/dbraw/zinc/02/85/30/1050028530.db2.gz GEYDJDHKBUUFBQ-IBGZPJMESA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942087 1050028965 /nfs/dbraw/zinc/02/89/65/1050028965.db2.gz GEYDJDHKBUUFBQ-LJQANCHMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942087 1050028970 /nfs/dbraw/zinc/02/89/70/1050028970.db2.gz GEYDJDHKBUUFBQ-LJQANCHMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942087 1050028976 /nfs/dbraw/zinc/02/89/76/1050028976.db2.gz GEYDJDHKBUUFBQ-LJQANCHMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208942087 1050028981 /nfs/dbraw/zinc/02/89/81/1050028981.db2.gz GEYDJDHKBUUFBQ-LJQANCHMSA-N 2 1 300.490 4.185 20 30 DIEDMP C=CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960148 1050029982 /nfs/dbraw/zinc/02/99/82/1050029982.db2.gz UOYFRCJVENVKNY-FQEVSTJZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960148 1050029988 /nfs/dbraw/zinc/02/99/88/1050029988.db2.gz UOYFRCJVENVKNY-FQEVSTJZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208960148 1050029995 /nfs/dbraw/zinc/02/99/95/1050029995.db2.gz UOYFRCJVENVKNY-FQEVSTJZSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209199747 1050043648 /nfs/dbraw/zinc/04/36/48/1050043648.db2.gz AFMAUYVBNSYRSR-LJQANCHMSA-N 2 1 316.489 4.312 20 30 DIEDMP C=CCCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209436351 1050059517 /nfs/dbraw/zinc/05/95/17/1050059517.db2.gz UXTXKHGKMKDUDQ-UHFFFAOYSA-N 2 1 301.478 4.065 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000773117239 1051066889 /nfs/dbraw/zinc/06/68/89/1051066889.db2.gz UJMZWBJEKKKKNS-NYVOZVTQSA-N 2 1 324.512 4.384 20 30 DIEDMP C=C(C)C[N@@H+](CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001171799851 1051223764 /nfs/dbraw/zinc/22/37/64/1051223764.db2.gz TZFLKLZRISQKJE-UHFFFAOYSA-N 2 1 308.897 4.450 20 30 DIEDMP C=C(C)C[N@H+](CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001171799851 1051223769 /nfs/dbraw/zinc/22/37/69/1051223769.db2.gz TZFLKLZRISQKJE-UHFFFAOYSA-N 2 1 308.897 4.450 20 30 DIEDMP CCCCCCC[C@@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172353953 1051369887 /nfs/dbraw/zinc/36/98/87/1051369887.db2.gz CKTPVHGRJUQGBA-QGZVFWFLSA-N 2 1 323.525 4.256 20 30 DIEDMP C=CCc1cc(C)c[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142285 1051533153 /nfs/dbraw/zinc/53/31/53/1051533153.db2.gz MGIKPOLWXWDPED-VQIMIIECSA-N 2 1 301.478 4.074 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)C1CCC([NH+](CC)CC)CC1 ZINC001173113416 1051611799 /nfs/dbraw/zinc/61/17/99/1051611799.db2.gz PTEJXFYFGQWOAR-UHFFFAOYSA-N 2 1 300.490 4.328 20 30 DIEDMP CCCCCCCCC[C@@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173285350 1051687661 /nfs/dbraw/zinc/68/76/61/1051687661.db2.gz SMQJCMMPEVMULE-QZTJIDSGSA-N 2 1 323.525 4.227 20 30 DIEDMP C=C[C@@H](CCCCC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218212069 1052209050 /nfs/dbraw/zinc/20/90/50/1052209050.db2.gz HRZALOJQFQQJRG-IBGZPJMESA-N 2 1 316.489 4.123 20 30 DIEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087928 1054654925 /nfs/dbraw/zinc/65/49/25/1054654925.db2.gz IXBUFZREGYUWFV-KBOKABMXSA-N 2 1 314.464 4.224 20 30 DIEDMP CCCCCCC/C=C/C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087928 1054654931 /nfs/dbraw/zinc/65/49/31/1054654931.db2.gz IXBUFZREGYUWFV-KBOKABMXSA-N 2 1 314.464 4.224 20 30 DIEDMP CCCCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972954 1054877231 /nfs/dbraw/zinc/87/72/31/1054877231.db2.gz JFJLBUSLMMGBKR-UHFFFAOYSA-N 2 1 300.490 4.094 20 30 DIEDMP C=CCCCCCC[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562761 1055183426 /nfs/dbraw/zinc/18/34/26/1055183426.db2.gz WZZKKUNAWOLSHY-MXVIHJGJSA-N 2 1 315.505 4.290 20 30 DIEDMP C=CCCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742262 1055247128 /nfs/dbraw/zinc/24/71/28/1055247128.db2.gz MTXGYGYEPAMLAA-WGSAOQKQSA-N 2 1 304.453 4.254 20 30 DIEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240459457 1056521228 /nfs/dbraw/zinc/52/12/28/1056521228.db2.gz XQJNTQKFZNPCBA-JOCHJYFZSA-N 2 1 318.464 4.322 20 30 DIEDMP C=CCCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743315 1056620740 /nfs/dbraw/zinc/62/07/40/1056620740.db2.gz WSPRGEJHNJEUQQ-UYAOXDASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000730019733 1057701927 /nfs/dbraw/zinc/70/19/27/1057701927.db2.gz OHGIFHYYSYBZFH-UHFFFAOYSA-N 2 1 306.453 4.094 20 30 DIEDMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312189 1058819013 /nfs/dbraw/zinc/81/90/13/1058819013.db2.gz BEHDSCWVNSEPTI-PWRODBHTSA-N 2 1 319.452 4.092 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316679 1058831005 /nfs/dbraw/zinc/83/10/05/1058831005.db2.gz JFYGCZGAEJXLDM-WNRNVDISSA-N 2 1 316.489 4.211 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339279 1058845918 /nfs/dbraw/zinc/84/59/18/1058845918.db2.gz CXGVBZCXOKZOAH-RRFJBIMHSA-N 2 1 308.432 4.256 20 30 DIEDMP CCCCCCCCCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542855 1058991970 /nfs/dbraw/zinc/99/19/70/1058991970.db2.gz LSYJESMSZPNIGY-RBUKOAKNSA-N 2 1 312.542 4.081 20 30 DIEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560798071 1060659215 /nfs/dbraw/zinc/65/92/15/1060659215.db2.gz WTOQVQZNABFCRU-ICSRJNTNSA-N 2 1 300.490 4.233 20 30 DIEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001473408891 1061143417 /nfs/dbraw/zinc/14/34/17/1061143417.db2.gz NFTQIJIKTZQVRV-FPOVZHCZSA-N 2 1 312.501 4.070 20 30 DIEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001473408891 1061143426 /nfs/dbraw/zinc/14/34/26/1061143426.db2.gz NFTQIJIKTZQVRV-FPOVZHCZSA-N 2 1 312.501 4.070 20 30 DIEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001473415991 1061147874 /nfs/dbraw/zinc/14/78/74/1061147874.db2.gz HVRJAIQTEBJUBC-IBGZPJMESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001473415991 1061147882 /nfs/dbraw/zinc/14/78/82/1061147882.db2.gz HVRJAIQTEBJUBC-IBGZPJMESA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462508543 1061218483 /nfs/dbraw/zinc/21/84/83/1061218483.db2.gz OCBBIUSDDLMEFD-IHPCNDPISA-N 2 1 300.490 4.089 20 30 DIEDMP C=CCCCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718954 1061366284 /nfs/dbraw/zinc/36/62/84/1061366284.db2.gz RABIRHUAHOOOJR-SFTDATJTSA-N 2 1 312.501 4.187 20 30 DIEDMP CCCCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473760173 1061394719 /nfs/dbraw/zinc/39/47/19/1061394719.db2.gz YBILSIZQRHKSNS-SFHVURJKSA-N 2 1 303.494 4.343 20 30 DIEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001473922981 1061472220 /nfs/dbraw/zinc/47/22/20/1061472220.db2.gz RGSHEXOPWYBKBN-PZJWPPBQSA-N 2 1 312.501 4.028 20 30 DIEDMP C#CCCCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001460096618 1062634695 /nfs/dbraw/zinc/63/46/95/1062634695.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C#CCCCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001460096618 1062634707 /nfs/dbraw/zinc/63/47/07/1062634707.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C#CCCCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001460096618 1062634716 /nfs/dbraw/zinc/63/47/16/1062634716.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 2 1 324.512 4.168 20 30 DIEDMP C[C@@H]1C[C@@H]([NH2+]CCCCCCS)CC[N@@H+]1Cc1ccccc1 ZINC001256538988 1062863648 /nfs/dbraw/zinc/86/36/48/1062863648.db2.gz UOYRYQNPKINLGE-MJGOQNOKSA-N 2 1 320.546 4.119 20 30 DIEDMP C[C@@H]1C[C@@H]([NH2+]CCCCCCS)CC[N@H+]1Cc1ccccc1 ZINC001256538988 1062863670 /nfs/dbraw/zinc/86/36/70/1062863670.db2.gz UOYRYQNPKINLGE-MJGOQNOKSA-N 2 1 320.546 4.119 20 30 DIEDMP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC(C)C)CC1 ZINC001258014232 1063464314 /nfs/dbraw/zinc/46/43/14/1063464314.db2.gz GGNCCSMLKQHKFJ-UHFFFAOYSA-N 2 1 300.490 4.185 20 30 DIEDMP C#CCCC[N@@H+]1CCCC2(C[NH+](C[C@H](CC)CCCC)C2)C1 ZINC001279239337 1064337258 /nfs/dbraw/zinc/33/72/58/1064337258.db2.gz RIJSNLALQVNLKG-LJQANCHMSA-N 2 1 304.522 4.014 20 30 DIEDMP C=CCCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279271988 1064339046 /nfs/dbraw/zinc/33/90/46/1064339046.db2.gz KLZOFNICXOYBQZ-UHFFFAOYSA-N 2 1 315.505 4.049 20 30 DIEDMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001280181836 1064384910 /nfs/dbraw/zinc/38/49/10/1064384910.db2.gz XPVGWROQXMARLB-QBUWPKIASA-N 2 1 305.510 4.092 20 30 DIEDMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC001280181836 1064384920 /nfs/dbraw/zinc/38/49/20/1064384920.db2.gz XPVGWROQXMARLB-QBUWPKIASA-N 2 1 305.510 4.092 20 30 DIEDMP C#CCCCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308644883 1066134838 /nfs/dbraw/zinc/13/48/38/1066134838.db2.gz XDNNPBBXFIGANI-FPOVZHCZSA-N 2 1 312.501 4.070 20 30 DIEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000286193288 335030479 /nfs/dbraw/zinc/03/04/79/335030479.db2.gz RJWNMFSVAMWHSD-GOSISDBHSA-N 2 1 302.462 4.284 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464093548 332641936 /nfs/dbraw/zinc/64/19/36/332641936.db2.gz HILHRBAMYUGQFG-WOJBJXKFSA-N 2 1 312.501 4.199 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)Cc2ccccc2)CC1 ZINC000462049451 333115767 /nfs/dbraw/zinc/11/57/67/333115767.db2.gz NZVLKDCXLXTBQP-HXUWFJFHSA-N 2 1 300.490 4.028 20 30 DIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364357264 333298095 /nfs/dbraw/zinc/29/80/95/333298095.db2.gz UVCYFZJIJALSHH-LJQANCHMSA-N 2 1 319.537 4.150 20 30 DIEDMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710294 334100084 /nfs/dbraw/zinc/10/00/84/334100084.db2.gz LNJGRYOKPPZGIZ-NRFANRHFSA-N 2 1 321.468 4.251 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173398437 337135671 /nfs/dbraw/zinc/13/56/71/337135671.db2.gz UNOYDDFSTQQHSP-OAHLLOKOSA-N 2 1 304.503 4.100 20 30 DIEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174402574 337141661 /nfs/dbraw/zinc/14/16/61/337141661.db2.gz OIQNHTUEBFAPBH-KRWDZBQOSA-N 2 1 313.489 4.132 20 30 DIEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992187 338357881 /nfs/dbraw/zinc/35/78/81/338357881.db2.gz QJQISIWMDHDQBK-UIFIKXQLSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992187 338357882 /nfs/dbraw/zinc/35/78/82/338357882.db2.gz QJQISIWMDHDQBK-UIFIKXQLSA-N 2 1 312.501 4.374 20 30 DIEDMP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000439082703 338360613 /nfs/dbraw/zinc/36/06/13/338360613.db2.gz FIPFLNWKQIOJNH-NRFANRHFSA-N 2 1 312.501 4.294 20 30 DIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449183640 338600133 /nfs/dbraw/zinc/60/01/33/338600133.db2.gz DSNNIWCTTOXWBO-MYWSLZCHSA-N 2 1 322.456 4.304 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463272035 339112771 /nfs/dbraw/zinc/11/27/71/339112771.db2.gz NNCWMRWTFLDGHL-NSHGMRRFSA-N 2 1 300.490 4.374 20 30 DIEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463272035 339112772 /nfs/dbraw/zinc/11/27/72/339112772.db2.gz NNCWMRWTFLDGHL-NSHGMRRFSA-N 2 1 300.490 4.374 20 30 DIEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650034 340370999 /nfs/dbraw/zinc/37/09/99/340370999.db2.gz WNRAZXWDGHUDAX-HOTGVXAUSA-N 2 1 317.452 4.003 20 30 DIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009184 341329125 /nfs/dbraw/zinc/32/91/25/341329125.db2.gz QTPIMQWWEOOCGQ-ZLGUVYLKSA-N 2 1 319.452 4.044 20 30 DIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009184 341329126 /nfs/dbraw/zinc/32/91/26/341329126.db2.gz QTPIMQWWEOOCGQ-ZLGUVYLKSA-N 2 1 319.452 4.044 20 30 DIEDMP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398026387 1037095409 /nfs/dbraw/zinc/09/54/09/1037095409.db2.gz MCVPXFFLSCAMNA-AZUAARDMSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398026387 1037095427 /nfs/dbraw/zinc/09/54/27/1037095427.db2.gz MCVPXFFLSCAMNA-AZUAARDMSA-N 2 1 300.490 4.233 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680609 1038069270 /nfs/dbraw/zinc/06/92/70/1038069270.db2.gz PTTIPWYXSVCDIQ-WBKMXMRLSA-N 2 1 323.484 4.026 20 30 DIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680609 1038069290 /nfs/dbraw/zinc/06/92/90/1038069290.db2.gz PTTIPWYXSVCDIQ-WBKMXMRLSA-N 2 1 323.484 4.026 20 30 DIEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000599662131 1038330873 /nfs/dbraw/zinc/33/08/73/1038330873.db2.gz ZCZNHBHPEPQJJY-QGZVFWFLSA-N 2 1 321.468 4.203 20 30 DIEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167646789 1039079529 /nfs/dbraw/zinc/07/95/29/1039079529.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646789 1039079546 /nfs/dbraw/zinc/07/95/46/1039079546.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 2 1 312.501 4.329 20 30 DIEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646789 1039079564 /nfs/dbraw/zinc/07/95/64/1039079564.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 2 1 312.501 4.329 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002464 1039584402 /nfs/dbraw/zinc/58/44/02/1039584402.db2.gz JSSBUGRPTMKNDZ-ZDUSSCGKSA-N 2 1 310.844 4.170 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706508 1043894199 /nfs/dbraw/zinc/89/41/99/1043894199.db2.gz HBHRHXLSDZYHGJ-JKSUJKDBSA-N 2 1 320.908 4.462 20 30 DIEDMP C=CC[C@@H]1[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1(C)C ZINC000446827048 1045046084 /nfs/dbraw/zinc/04/60/84/1045046084.db2.gz LYDXTIRTULTJCM-IBGZPJMESA-N 2 1 324.472 4.142 20 30 DIEDMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517961 1045135193 /nfs/dbraw/zinc/13/51/93/1045135193.db2.gz MIHYIVVXPIJHAF-NRFANRHFSA-N 2 1 321.468 4.121 20 30 DIEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525851 1045136135 /nfs/dbraw/zinc/13/61/35/1045136135.db2.gz ABOWFDIVCWANPN-HXUWFJFHSA-N 2 1 313.489 4.254 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344332 1046986876 /nfs/dbraw/zinc/98/68/76/1046986876.db2.gz OILLHXUZFOPRBK-RLLQIKCJSA-N 2 1 300.490 4.056 20 30 DIEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936181 1046990005 /nfs/dbraw/zinc/99/00/05/1046990005.db2.gz ZDGBHPXZHOPOOZ-BJLQDIEVSA-N 2 1 300.490 4.089 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(SCC)cc2)CC1 ZINC000533787237 1047020790 /nfs/dbraw/zinc/02/07/90/1047020790.db2.gz SGHGMVZLUWKTLG-INIZCTEOSA-N 2 1 318.530 4.490 20 30 DIEDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407269 1047181136 /nfs/dbraw/zinc/18/11/36/1047181136.db2.gz ODSDPZZBOVPISQ-HNNXBMFYSA-N 2 1 317.452 4.003 20 30 DIEDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407269 1047181140 /nfs/dbraw/zinc/18/11/40/1047181140.db2.gz ODSDPZZBOVPISQ-HNNXBMFYSA-N 2 1 317.452 4.003 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000120738126 1047500038 /nfs/dbraw/zinc/50/00/38/1047500038.db2.gz CPRGYNASVSMPRH-APWZRJJASA-N 2 1 318.530 4.295 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000120738126 1047500042 /nfs/dbraw/zinc/50/00/42/1047500042.db2.gz CPRGYNASVSMPRH-APWZRJJASA-N 2 1 318.530 4.295 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000482632217 1048650350 /nfs/dbraw/zinc/65/03/50/1048650350.db2.gz UQNHCTCISSQBAH-HXUWFJFHSA-N 2 1 300.490 4.404 20 30 DIEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001190408462 1048733084 /nfs/dbraw/zinc/73/30/84/1048733084.db2.gz ZFWFXDWCNZUAFF-UHFFFAOYSA-N 2 1 319.537 4.294 20 30 DIEDMP C=CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209164273 1050040991 /nfs/dbraw/zinc/04/09/91/1050040991.db2.gz VYUBIRLHZQRKQA-UHFFFAOYSA-N 2 1 306.881 4.202 20 30 DIEDMP C=CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209164273 1050040997 /nfs/dbraw/zinc/04/09/97/1050040997.db2.gz VYUBIRLHZQRKQA-UHFFFAOYSA-N 2 1 306.881 4.202 20 30 DIEDMP C=CCCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209206779 1050044742 /nfs/dbraw/zinc/04/47/42/1050044742.db2.gz ALXAEQHVXDYWLZ-UHFFFAOYSA-N 2 1 304.453 4.078 20 30 DIEDMP C=CCCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209206779 1050044749 /nfs/dbraw/zinc/04/47/49/1050044749.db2.gz ALXAEQHVXDYWLZ-UHFFFAOYSA-N 2 1 304.453 4.078 20 30 DIEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000348080277 1050176443 /nfs/dbraw/zinc/17/64/43/1050176443.db2.gz WJNBPWHNFAXRIY-UHFFFAOYSA-N 2 1 323.893 4.375 20 30 DIEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000348080277 1050176452 /nfs/dbraw/zinc/17/64/52/1050176452.db2.gz WJNBPWHNFAXRIY-UHFFFAOYSA-N 2 1 323.893 4.375 20 30 DIEDMP C#CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000773108266 1051064192 /nfs/dbraw/zinc/06/41/92/1051064192.db2.gz VFSPKDXFZNBZKW-BVYCBKJFSA-N 2 1 324.512 4.384 20 30 DIEDMP C#CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000773113854 1051067542 /nfs/dbraw/zinc/06/75/42/1051067542.db2.gz GBQHNQRRTOSZSD-JOCHJYFZSA-N 2 1 318.464 4.005 20 30 DIEDMP C=CC[N@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642286 1051197766 /nfs/dbraw/zinc/19/77/66/1051197766.db2.gz IUTBCEBXJJMMGQ-UHFFFAOYSA-N 2 1 300.490 4.326 20 30 DIEDMP C=CC[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642286 1051197772 /nfs/dbraw/zinc/19/77/72/1051197772.db2.gz IUTBCEBXJJMMGQ-UHFFFAOYSA-N 2 1 300.490 4.326 20 30 DIEDMP CCCCCCC[C@@H](CC)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172350113 1051366225 /nfs/dbraw/zinc/36/62/25/1051366225.db2.gz JRYRNOJJFLHIQM-LJQANCHMSA-N 2 1 317.521 4.471 20 30 DIEDMP Cc1ccc(C[N@H+]([C@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172491744 1051417920 /nfs/dbraw/zinc/41/79/20/1051417920.db2.gz IWCIOLOEQVRDSM-MISYRCLQSA-N 2 1 313.489 4.149 20 30 DIEDMP Cc1ccc(C[N@H+]([C@@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172491743 1051419024 /nfs/dbraw/zinc/41/90/24/1051419024.db2.gz IWCIOLOEQVRDSM-IHPCNDPISA-N 2 1 313.489 4.149 20 30 DIEDMP N#CCC1CCC([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332308 1051697573 /nfs/dbraw/zinc/69/75/73/1051697573.db2.gz KDUOANOPNWUPJE-YAEFEIELSA-N 2 1 317.521 4.221 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c3ccccc3oc2CC)CC1 ZINC000237088692 1052434379 /nfs/dbraw/zinc/43/43/79/1052434379.db2.gz XPZZUTIMJUELOB-UHFFFAOYSA-N 2 1 312.457 4.125 20 30 DIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093844604 1053457590 /nfs/dbraw/zinc/45/75/90/1053457590.db2.gz HENJGCLPERBMGF-GOSISDBHSA-N 2 1 319.537 4.293 20 30 DIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2SCC)CC1 ZINC000152980289 1053563267 /nfs/dbraw/zinc/56/32/67/1053563267.db2.gz PBCMARGOTQMSOC-MRXNPFEDSA-N 2 1 318.530 4.490 20 30 DIEDMP N#CCC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCCCCCC1 ZINC001232014402 1053938343 /nfs/dbraw/zinc/93/83/43/1053938343.db2.gz HFKLBYFXZOATCO-UHFFFAOYSA-N 2 1 310.445 4.391 20 30 DIEDMP N#CCC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCCCCCC1 ZINC001232014402 1053938355 /nfs/dbraw/zinc/93/83/55/1053938355.db2.gz HFKLBYFXZOATCO-UHFFFAOYSA-N 2 1 310.445 4.391 20 30 DIEDMP C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001334049757 1054180592 /nfs/dbraw/zinc/18/05/92/1054180592.db2.gz SQDGEJFHMKMSKI-MSOLQXFVSA-N 2 1 317.521 4.093 20 30 DIEDMP CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092951 1054653191 /nfs/dbraw/zinc/65/31/91/1054653191.db2.gz XWRXUZREUABOIY-MRXNPFEDSA-N 2 1 302.453 4.058 20 30 DIEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087664 1054653352 /nfs/dbraw/zinc/65/33/52/1054653352.db2.gz IXBUFZREGYUWFV-IJDCCNJMSA-N 2 1 314.464 4.224 20 30 DIEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087664 1054653366 /nfs/dbraw/zinc/65/33/66/1054653366.db2.gz IXBUFZREGYUWFV-IJDCCNJMSA-N 2 1 314.464 4.224 20 30 DIEDMP CCCCCCCOc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236241187 1055027663 /nfs/dbraw/zinc/02/76/63/1055027663.db2.gz WGKIUULWZGSRTQ-UHFFFAOYSA-N 2 1 318.505 4.221 20 30 DIEDMP C=CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363658 1055074839 /nfs/dbraw/zinc/07/48/39/1055074839.db2.gz VPQRRKPGPVRTPS-CABCVRRESA-N 2 1 306.416 4.115 20 30 DIEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363658 1055074848 /nfs/dbraw/zinc/07/48/48/1055074848.db2.gz VPQRRKPGPVRTPS-CABCVRRESA-N 2 1 306.416 4.115 20 30 DIEDMP CCCCCCCCCC[N@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001236422213 1055108042 /nfs/dbraw/zinc/10/80/42/1055108042.db2.gz DBVOQNSSPOODFH-UHFFFAOYSA-N 2 1 323.550 4.361 20 30 DIEDMP CCCCCCCCC[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448238 1055117524 /nfs/dbraw/zinc/11/75/24/1055117524.db2.gz QVNRGWVNPNEVQI-UHFFFAOYSA-N 2 1 317.521 4.386 20 30 DIEDMP CCCCCCCCC[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448238 1055117529 /nfs/dbraw/zinc/11/75/29/1055117529.db2.gz QVNRGWVNPNEVQI-UHFFFAOYSA-N 2 1 317.521 4.386 20 30 DIEDMP CCCCCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500184 1055151032 /nfs/dbraw/zinc/15/10/32/1055151032.db2.gz YJTDKXNDWPWPMZ-UHFFFAOYSA-N 2 1 324.459 4.489 20 30 DIEDMP C=CCCCCCC[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565147 1055186346 /nfs/dbraw/zinc/18/63/46/1055186346.db2.gz WIPQCWDFGDIGGL-MXVIHJGJSA-N 2 1 315.505 4.290 20 30 DIEDMP C=CCCC[NH+]1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001278253927 1055691278 /nfs/dbraw/zinc/69/12/78/1055691278.db2.gz NJVCGEHOSAFCDD-UHFFFAOYSA-N 2 1 318.427 4.083 20 30 DIEDMP C=CCCCC[N@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001278269776 1055727798 /nfs/dbraw/zinc/72/77/98/1055727798.db2.gz SBNNRTXESBZWQT-FQEVSTJZSA-N 2 1 315.505 4.049 20 30 DIEDMP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743312 1056619348 /nfs/dbraw/zinc/61/93/48/1056619348.db2.gz WSPRGEJHNJEUQQ-AZUAARDMSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000676639094 1057490689 /nfs/dbraw/zinc/49/06/89/1057490689.db2.gz FWZVTPVWCFIYFZ-CTNGQTDRSA-N 2 1 312.501 4.233 20 30 DIEDMP CCCCCCC[N@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001278435686 1058742137 /nfs/dbraw/zinc/74/21/37/1058742137.db2.gz UVXQZMDUMDAYML-FQEVSTJZSA-N 2 1 322.537 4.066 20 30 DIEDMP CCCCCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246235399 1058755806 /nfs/dbraw/zinc/75/58/06/1058755806.db2.gz ZMYQUVLQYSLLNX-HKUYNNGSSA-N 2 1 306.469 4.487 20 30 DIEDMP CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242168 1058764798 /nfs/dbraw/zinc/76/47/98/1058764798.db2.gz XOAPRRNRGOXMQJ-MSOLQXFVSA-N 2 1 300.531 4.249 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246317948 1058828116 /nfs/dbraw/zinc/82/81/16/1058828116.db2.gz PFDRYNMREBVKAL-BZSNNMDCSA-N 2 1 316.489 4.213 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316680 1058828385 /nfs/dbraw/zinc/82/83/85/1058828385.db2.gz JFYGCZGAEJXLDM-ZJPYXAASSA-N 2 1 316.489 4.211 20 30 DIEDMP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339281 1058849209 /nfs/dbraw/zinc/84/92/09/1058849209.db2.gz CXGVBZCXOKZOAH-ZNMIVQPWSA-N 2 1 308.432 4.256 20 30 DIEDMP CCCCCCCC[C@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246550146 1058996670 /nfs/dbraw/zinc/99/66/70/1058996670.db2.gz JFBAEQPISGIQJK-OALUTQOASA-N 2 1 312.542 4.081 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246638288 1059045870 /nfs/dbraw/zinc/04/58/70/1059045870.db2.gz LKBALMSYAVDMBX-DLBZAZTESA-N 2 1 316.480 4.446 20 30 DIEDMP N#CCC[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCCCC1 ZINC001246771758 1059072009 /nfs/dbraw/zinc/07/20/09/1059072009.db2.gz ZILTVQAQQLQVSD-LJQANCHMSA-N 2 1 317.521 4.237 20 30 DIEDMP N#CCC[N@@H+]([C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770767 1059072100 /nfs/dbraw/zinc/07/21/00/1059072100.db2.gz SKHHMKXQULLEJV-PMACEKPBSA-N 2 1 317.521 4.237 20 30 DIEDMP N#CCC[N@@H+](C1CCC2(CC[NH2+]C2)CC1)C1CCCCCCC1 ZINC001246768981 1059076458 /nfs/dbraw/zinc/07/64/58/1059076458.db2.gz HORGKSFEQVUVHL-UHFFFAOYSA-N 2 1 317.521 4.237 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933474 1059180755 /nfs/dbraw/zinc/18/07/55/1059180755.db2.gz IVXKQHSAYUXHME-RRFJBIMHSA-N 2 1 308.432 4.337 20 30 DIEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933478 1059184778 /nfs/dbraw/zinc/18/47/78/1059184778.db2.gz IVXKQHSAYUXHME-ZNMIVQPWSA-N 2 1 308.432 4.337 20 30 DIEDMP CCCCCCCCC[C@@H](C)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246979704 1059221713 /nfs/dbraw/zinc/22/17/13/1059221713.db2.gz ZTVCRYPWTYCTBS-QUCCMNQESA-N 2 1 323.569 4.013 20 30 DIEDMP CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246978661 1059223446 /nfs/dbraw/zinc/22/34/46/1059223446.db2.gz VHQFUZYYLZLFAM-VQTJNVASSA-N 2 1 323.569 4.013 20 30 DIEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001560798073 1060659122 /nfs/dbraw/zinc/65/91/22/1060659122.db2.gz WTOQVQZNABFCRU-UYAOXDASSA-N 2 1 300.490 4.233 20 30 DIEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001474219267 1061776620 /nfs/dbraw/zinc/77/66/20/1061776620.db2.gz XPRANTREMNUHAH-LJQANCHMSA-N 2 1 312.501 4.376 20 30 DIEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001474219267 1061776637 /nfs/dbraw/zinc/77/66/37/1061776637.db2.gz XPRANTREMNUHAH-LJQANCHMSA-N 2 1 312.501 4.376 20 30 DIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255950276 1062670490 /nfs/dbraw/zinc/67/04/90/1062670490.db2.gz GSCFOTCUQNRTCF-DLBZAZTESA-N 2 1 304.478 4.022 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255950279 1062670655 /nfs/dbraw/zinc/67/06/55/1062670655.db2.gz GSCFOTCUQNRTCF-SJORKVTESA-N 2 1 304.478 4.022 20 30 DIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256563917 1062888587 /nfs/dbraw/zinc/88/85/87/1062888587.db2.gz KWHJXZSVOAQHCP-INIZCTEOSA-N 2 1 316.489 4.165 20 30 DIEDMP C=CCCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001473145395 1063450829 /nfs/dbraw/zinc/45/08/29/1063450829.db2.gz ITXYHZOKNRLYSS-UHFFFAOYSA-N 2 1 300.490 4.187 20 30 DIEDMP C=CCC[C@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722582 1063776194 /nfs/dbraw/zinc/77/61/94/1063776194.db2.gz KEGKIGLJSRLVHW-SNRMKQJTSA-N 2 1 304.453 4.252 20 30 DIEDMP C=CCC[C@@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724449 1063778658 /nfs/dbraw/zinc/77/86/58/1063778658.db2.gz WRBZUODBSLUGGA-MISYRCLQSA-N 2 1 300.490 4.422 20 30 DIEDMP C=CCC[C@@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001258728071 1063780620 /nfs/dbraw/zinc/78/06/20/1063780620.db2.gz MAHUWDKPZSTKEH-IEBWSBKVSA-N 2 1 316.489 4.311 20 30 DIEDMP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000700345525 1064211439 /nfs/dbraw/zinc/21/14/39/1064211439.db2.gz CSCXMIQJGHYWHH-CCDCCJRHSA-N 2 1 324.512 4.233 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001279491189 1064352982 /nfs/dbraw/zinc/35/29/82/1064352982.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 2 1 302.506 4.097 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)CC1 ZINC001279491189 1064352990 /nfs/dbraw/zinc/35/29/90/1064352990.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 2 1 302.506 4.097 20 30 DIEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)CC1 ZINC001279491189 1064352997 /nfs/dbraw/zinc/35/29/97/1064352997.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 2 1 302.506 4.097 20 30 DIEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001308976563 1066429633 /nfs/dbraw/zinc/42/96/33/1066429633.db2.gz XLUOFVCQORYYRP-FYZZASKESA-N 2 1 312.501 4.231 20 30 DIEDMP