smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514000 332348527 /nfs/dbraw/zinc/34/85/27/332348527.db2.gz ATLVUIXRODPQGU-ROUUACIJSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514000 332348528 /nfs/dbraw/zinc/34/85/28/332348528.db2.gz ATLVUIXRODPQGU-ROUUACIJSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513998 332348623 /nfs/dbraw/zinc/34/86/23/332348623.db2.gz ATLVUIXRODPQGU-QZTJIDSGSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513998 332348625 /nfs/dbraw/zinc/34/86/25/332348625.db2.gz ATLVUIXRODPQGU-QZTJIDSGSA-N 1 3 304.478 4.389 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)(C)C)s2)CC1 ZINC000532880147 336274272 /nfs/dbraw/zinc/27/42/72/336274272.db2.gz YTNSANMWEMRQTI-UHFFFAOYSA-N 1 3 306.519 4.176 20 30 DIEDHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650033 340370980 /nfs/dbraw/zinc/37/09/80/340370980.db2.gz WNRAZXWDGHUDAX-CVEARBPZSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650033 340370981 /nfs/dbraw/zinc/37/09/81/340370981.db2.gz WNRAZXWDGHUDAX-CVEARBPZSA-N 1 3 317.452 4.003 20 30 DIEDHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181529623 520755320 /nfs/dbraw/zinc/75/53/20/520755320.db2.gz QSKVAYXHRSOISZ-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181529643 520756060 /nfs/dbraw/zinc/75/60/60/520756060.db2.gz QSKVAYXHRSOISZ-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCC[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000747867131 1041726220 /nfs/dbraw/zinc/72/62/20/1041726220.db2.gz OPIXPZZFPPMVQU-HXUWFJFHSA-N 1 3 304.522 4.366 20 30 DIEDHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029601 1042696551 /nfs/dbraw/zinc/69/65/51/1042696551.db2.gz IPCBFTQXHIGDNE-HRCADAONSA-N 1 3 307.441 4.002 20 30 DIEDHO C#CC1(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033531 1043752716 /nfs/dbraw/zinc/75/27/16/1043752716.db2.gz MBFSEVSGDOJUIT-CEQLMSFQSA-N 1 3 324.512 4.354 20 30 DIEDHO C#CC1(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033531 1043752725 /nfs/dbraw/zinc/75/27/25/1043752725.db2.gz MBFSEVSGDOJUIT-CEQLMSFQSA-N 1 3 324.512 4.354 20 30 DIEDHO C[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185715 1045232903 /nfs/dbraw/zinc/23/29/03/1045232903.db2.gz OOGPSMHBTARMMK-HZPDHXFCSA-N 1 3 307.441 4.032 20 30 DIEDHO CCCCCCCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281401 1048617436 /nfs/dbraw/zinc/61/74/36/1048617436.db2.gz NGJCSUMZTAEWKH-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001176281401 1048617437 /nfs/dbraw/zinc/61/74/37/1048617437.db2.gz NGJCSUMZTAEWKH-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001176281401 1048617444 /nfs/dbraw/zinc/61/74/44/1048617444.db2.gz NGJCSUMZTAEWKH-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775411917 1048786517 /nfs/dbraw/zinc/78/65/17/1048786517.db2.gz YKUCXJCTTVBGOF-IRXDYDNUSA-N 1 3 316.489 4.296 20 30 DIEDHO C=CCCN(C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213576 /nfs/dbraw/zinc/21/35/76/1049213576.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 1 3 322.496 4.410 20 30 DIEDHO C=CCCN(C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473522 1049213583 /nfs/dbraw/zinc/21/35/83/1049213583.db2.gz OFVYJLJDCPDLLV-QFIPXVFZSA-N 1 3 322.496 4.410 20 30 DIEDHO CC1(C#N)CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000823747656 1050153621 /nfs/dbraw/zinc/15/36/21/1050153621.db2.gz HDSBCIUAZXQYTA-UHFFFAOYSA-N 1 3 317.521 4.093 20 30 DIEDHO CN1C(C)(C)CC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1(C)C ZINC001171619554 1051179060 /nfs/dbraw/zinc/17/90/60/1051179060.db2.gz PCGYGNHVTADAQJ-UHFFFAOYSA-N 1 3 313.489 4.034 20 30 DIEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975732 1051760348 /nfs/dbraw/zinc/76/03/48/1051760348.db2.gz DFFLVPNQTPBBDZ-CQSZACIVSA-N 1 3 322.880 4.040 20 30 DIEDHO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001334049763 1054179938 /nfs/dbraw/zinc/17/99/38/1054179938.db2.gz SQDGEJFHMKMSKI-ROUUACIJSA-N 1 3 317.521 4.093 20 30 DIEDHO C=CCCCCCCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379833 1054711462 /nfs/dbraw/zinc/71/14/62/1054711462.db2.gz RKAHKTVSYFJKLA-RTWAWAEBSA-N 1 3 312.501 4.202 20 30 DIEDHO CCCCCCCCOc1ccc(CN2CC(CC[NH3+])C2)cc1 ZINC001235918896 1054846742 /nfs/dbraw/zinc/84/67/42/1054846742.db2.gz OJLZCELEXVCLIX-UHFFFAOYSA-N 1 3 318.505 4.207 20 30 DIEDHO C=CCCCCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287965 1055050374 /nfs/dbraw/zinc/05/03/74/1055050374.db2.gz UTKUGFPZGDMMBD-UHFFFAOYSA-N 1 3 300.490 4.377 20 30 DIEDHO C=CCCCCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287965 1055050390 /nfs/dbraw/zinc/05/03/90/1055050390.db2.gz UTKUGFPZGDMMBD-UHFFFAOYSA-N 1 3 300.490 4.377 20 30 DIEDHO C=CCCCCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287965 1055050401 /nfs/dbraw/zinc/05/04/01/1055050401.db2.gz UTKUGFPZGDMMBD-UHFFFAOYSA-N 1 3 300.490 4.377 20 30 DIEDHO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246007636 1058656645 /nfs/dbraw/zinc/65/66/45/1058656645.db2.gz YEINHZZCNAWYKV-FUMNGEBKSA-N 1 3 324.553 4.141 20 30 DIEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007636 1058656659 /nfs/dbraw/zinc/65/66/59/1058656659.db2.gz YEINHZZCNAWYKV-FUMNGEBKSA-N 1 3 324.553 4.141 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246340621 1058846206 /nfs/dbraw/zinc/84/62/06/1058846206.db2.gz LIZKJKOMRPDQLA-QXAKKESOSA-N 1 3 303.494 4.071 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246372479 1058877800 /nfs/dbraw/zinc/87/78/00/1058877800.db2.gz RWZYSZFTAFKILK-SFHVURJKSA-N 1 3 317.521 4.085 20 30 DIEDHO C=CC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492665 1058970470 /nfs/dbraw/zinc/97/04/70/1058970470.db2.gz XLJDFKIGJVNRQK-BHDDXSALSA-N 1 3 320.480 4.257 20 30 DIEDHO CCCCCCC[C@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658753 1059055333 /nfs/dbraw/zinc/05/53/33/1059055333.db2.gz VVQXQAPLHGKCNX-JYJNAYRXSA-N 1 3 320.443 4.209 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796292 1059103042 /nfs/dbraw/zinc/10/30/42/1059103042.db2.gz PSIJNSFYAXRXAR-VQTJNVASSA-N 1 3 300.490 4.376 20 30 DIEDHO C=CCCCCCC[C@@H](O)CN(C)C1CC[NH+](CCCC)CC1 ZINC001253242568 1061840778 /nfs/dbraw/zinc/84/07/78/1061840778.db2.gz NGUGPJOARNQPNO-HXUWFJFHSA-N 1 3 324.553 4.070 20 30 DIEDHO CC[C@H](CC#N)N(Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162056 1062348425 /nfs/dbraw/zinc/34/84/25/1062348425.db2.gz GCJYDVPBEBWLQI-KZNAEPCWSA-N 1 3 319.880 4.104 20 30 DIEDHO C=C1C[C@@H]2CC([NH2+]C3CCN(C4CCCC4)CC3)C[C@H](C1)C2 ZINC001257887741 1063424671 /nfs/dbraw/zinc/42/46/71/1063424671.db2.gz HVDZHJYNMSLPNZ-JJTKIYQPSA-N 1 3 302.506 4.118 20 30 DIEDHO CCCCCCC[C@@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001258049319 1063480872 /nfs/dbraw/zinc/48/08/72/1063480872.db2.gz FCVLJTZYBMZILD-QUCCMNQESA-N 1 3 324.553 4.311 20 30 DIEDHO C=CCC[C@H](C)N1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001258735586 1063784478 /nfs/dbraw/zinc/78/44/78/1063784478.db2.gz XGSHXIIRIFRHCH-SFHVURJKSA-N 1 3 300.490 4.328 20 30 DIEDHO C=CCC[C@H](C)N1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001258735586 1063784488 /nfs/dbraw/zinc/78/44/88/1063784488.db2.gz XGSHXIIRIFRHCH-SFHVURJKSA-N 1 3 300.490 4.328 20 30 DIEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001308246800 1065852768 /nfs/dbraw/zinc/85/27/68/1065852768.db2.gz GCNZJFHWAZZIBT-SREVYHEPSA-N 1 3 312.501 4.255 20 30 DIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181609326 519629657 /nfs/dbraw/zinc/62/96/57/519629657.db2.gz JSJMEGMGWUQIFI-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181609326 519629660 /nfs/dbraw/zinc/62/96/60/519629660.db2.gz JSJMEGMGWUQIFI-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181419668 525520559 /nfs/dbraw/zinc/52/05/59/525520559.db2.gz NTJGCFADPUAAEV-QGZVFWFLSA-N 1 3 319.452 4.005 20 30 DIEDHO C=CCCCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209206983 1036058322 /nfs/dbraw/zinc/05/83/22/1036058322.db2.gz FTEORIRBBIDXOA-UHFFFAOYSA-N 1 3 304.453 4.078 20 30 DIEDHO C=CCCCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209206983 1036058341 /nfs/dbraw/zinc/05/83/41/1036058341.db2.gz FTEORIRBBIDXOA-UHFFFAOYSA-N 1 3 304.453 4.078 20 30 DIEDHO C=CCCCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163366 1040337909 /nfs/dbraw/zinc/33/79/09/1040337909.db2.gz IZLISOGNYCWOIV-SFHVURJKSA-N 1 3 315.505 4.018 20 30 DIEDHO C=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998015 1041747560 /nfs/dbraw/zinc/74/75/60/1041747560.db2.gz UJXJUUJYMDHMGL-KNQAVFIVSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998015 1041747568 /nfs/dbraw/zinc/74/75/68/1041747568.db2.gz UJXJUUJYMDHMGL-KNQAVFIVSA-N 1 3 320.480 4.200 20 30 DIEDHO CCCCCCC[C@H](CC)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107994 1042249268 /nfs/dbraw/zinc/24/92/68/1042249268.db2.gz BQPDLBHUMVHHIP-GJZGRUSLSA-N 1 3 308.432 4.257 20 30 DIEDHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173838235 1043054224 /nfs/dbraw/zinc/05/42/24/1043054224.db2.gz DAWKZRHHOBDSLD-QGZVFWFLSA-N 1 3 319.452 4.005 20 30 DIEDHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787427 1045198709 /nfs/dbraw/zinc/19/87/09/1045198709.db2.gz XEPXQVBVYYUFEC-CVEARBPZSA-N 1 3 307.441 4.032 20 30 DIEDHO C[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787429 1045198884 /nfs/dbraw/zinc/19/88/84/1045198884.db2.gz XEPXQVBVYYUFEC-HZPDHXFCSA-N 1 3 307.441 4.032 20 30 DIEDHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645509 1047089485 /nfs/dbraw/zinc/08/94/85/1047089485.db2.gz HVWKUCLUFCTNBC-ZWKOTPCHSA-N 1 3 321.468 4.119 20 30 DIEDHO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775411920 1048785425 /nfs/dbraw/zinc/78/54/25/1048785425.db2.gz YKUCXJCTTVBGOF-SJORKVTESA-N 1 3 316.489 4.296 20 30 DIEDHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000192947163 1049429382 /nfs/dbraw/zinc/42/93/82/1049429382.db2.gz ZNEFQAZFOYRKJP-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCCCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001209438997 1050059661 /nfs/dbraw/zinc/05/96/61/1050059661.db2.gz FDWNEDXBBXERBZ-HXUWFJFHSA-N 1 3 322.537 4.088 20 30 DIEDHO C=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657323 1051357518 /nfs/dbraw/zinc/35/75/18/1051357518.db2.gz SBLKKHMKGCUZAE-SIKLNZKXSA-N 1 3 320.480 4.343 20 30 DIEDHO C=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657323 1051357524 /nfs/dbraw/zinc/35/75/24/1051357524.db2.gz SBLKKHMKGCUZAE-SIKLNZKXSA-N 1 3 320.480 4.343 20 30 DIEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000382018277 1055196932 /nfs/dbraw/zinc/19/69/32/1055196932.db2.gz WVHJTDDLYFSAER-QUCCMNQESA-N 1 3 300.490 4.233 20 30 DIEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000382018278 1055197693 /nfs/dbraw/zinc/19/76/93/1055197693.db2.gz WVHJTDDLYFSAER-UYAOXDASSA-N 1 3 300.490 4.233 20 30 DIEDHO CCCCCCCCN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359013 1055439569 /nfs/dbraw/zinc/43/95/69/1055439569.db2.gz LPNCWRGUXAIBKZ-UHFFFAOYSA-N 1 3 300.490 4.441 20 30 DIEDHO CCCCCCCC[C@H](O)CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014326 1058657164 /nfs/dbraw/zinc/65/71/64/1058657164.db2.gz LFUVVZJEHARDTQ-OALUTQOASA-N 1 3 324.553 4.142 20 30 DIEDHO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246338234 1058846606 /nfs/dbraw/zinc/84/66/06/1058846606.db2.gz DKISRMKAMLFSBB-HSALFYBXSA-N 1 3 317.521 4.461 20 30 DIEDHO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246338236 1058848200 /nfs/dbraw/zinc/84/82/00/1058848200.db2.gz DKISRMKAMLFSBB-UFYCRDLUSA-N 1 3 317.521 4.461 20 30 DIEDHO CCCCCCC[C@@H](C)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246372477 1058880343 /nfs/dbraw/zinc/88/03/43/1058880343.db2.gz RWZYSZFTAFKILK-GOSISDBHSA-N 1 3 317.521 4.085 20 30 DIEDHO CCCCCCCC[C@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246391352 1058897382 /nfs/dbraw/zinc/89/73/82/1058897382.db2.gz LTDPRYHRNFTJLQ-SFHVURJKSA-N 1 3 312.542 4.264 20 30 DIEDHO C=C1C[C@@H]2CC([NH2+]C3(CC4CCC4)CCNCC3)C[C@H](C1)C2 ZINC001246449859 1058937550 /nfs/dbraw/zinc/93/75/50/1058937550.db2.gz YPWDJNDCJIXFTF-DFNIBXOVSA-N 1 3 302.506 4.023 20 30 DIEDHO CCCCCCCCC[C@@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553693 1058996933 /nfs/dbraw/zinc/99/69/33/1058996933.db2.gz BVCSBEBJBDGPKQ-HZPDHXFCSA-N 1 3 304.469 4.432 20 30 DIEDHO CCCCCCCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473760172 1061395989 /nfs/dbraw/zinc/39/59/89/1061395989.db2.gz YBILSIZQRHKSNS-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001473760172 1061396009 /nfs/dbraw/zinc/39/60/09/1061396009.db2.gz YBILSIZQRHKSNS-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001473760172 1061396028 /nfs/dbraw/zinc/39/60/28/1061396028.db2.gz YBILSIZQRHKSNS-GOSISDBHSA-N 1 3 303.494 4.343 20 30 DIEDHO C=CCCCCCC[C@@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253250534 1061855176 /nfs/dbraw/zinc/85/51/76/1061855176.db2.gz BKTRFWSAWNIQED-GOSISDBHSA-N 1 3 324.553 4.115 20 30 DIEDHO C=CCCCCCC[C@@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001253250534 1061855190 /nfs/dbraw/zinc/85/51/90/1061855190.db2.gz BKTRFWSAWNIQED-GOSISDBHSA-N 1 3 324.553 4.115 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2cccc(CC3CCC3)c2)CC1 ZINC001308247753 1065852466 /nfs/dbraw/zinc/85/24/66/1065852466.db2.gz YTIJOJHBCPZEBG-UHFFFAOYSA-N 1 3 312.501 4.159 20 30 DIEDHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423524357 337724545 /nfs/dbraw/zinc/72/45/45/337724545.db2.gz WYJPTRVMLMJQAF-PMACEKPBSA-N 1 3 307.441 4.079 20 30 DIEDHO C#CC1(NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033532 1043752759 /nfs/dbraw/zinc/75/27/59/1043752759.db2.gz MBFSEVSGDOJUIT-OALUTQOASA-N 1 3 324.512 4.354 20 30 DIEDHO CCC1([NH+]2CCCCC2)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931686138 1044060754 /nfs/dbraw/zinc/06/07/54/1044060754.db2.gz KARBSYZSBWTHDV-UHFFFAOYSA-N 1 3 317.521 4.047 20 30 DIEDHO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(N3CCC(F)CC3)CC2)CC1 ZINC001208178193 1049982627 /nfs/dbraw/zinc/98/26/27/1049982627.db2.gz MZLDHWORRBHDKF-GOSISDBHSA-N 1 3 320.496 4.187 20 30 DIEDHO C#CC(CC)(CC)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962864 1051246159 /nfs/dbraw/zinc/24/61/59/1051246159.db2.gz FJLQYNZWQRQXQO-LJQANCHMSA-N 1 3 312.501 4.211 20 30 DIEDHO C#CC(CC)(CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962864 1051246166 /nfs/dbraw/zinc/24/61/66/1051246166.db2.gz FJLQYNZWQRQXQO-LJQANCHMSA-N 1 3 312.501 4.211 20 30 DIEDHO C=C(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657324 1051356282 /nfs/dbraw/zinc/35/62/82/1051356282.db2.gz SBLKKHMKGCUZAE-UGKGYDQZSA-N 1 3 320.480 4.343 20 30 DIEDHO C=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657324 1051356290 /nfs/dbraw/zinc/35/62/90/1051356290.db2.gz SBLKKHMKGCUZAE-UGKGYDQZSA-N 1 3 320.480 4.343 20 30 DIEDHO C=CCCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516746 1055156140 /nfs/dbraw/zinc/15/61/40/1055156140.db2.gz IALPNMFKCXMBCT-UHFFFAOYSA-N 1 3 304.453 4.044 20 30 DIEDHO C=CCCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516746 1055156148 /nfs/dbraw/zinc/15/61/48/1055156148.db2.gz IALPNMFKCXMBCT-UHFFFAOYSA-N 1 3 304.453 4.044 20 30 DIEDHO C=CCCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516746 1055156156 /nfs/dbraw/zinc/15/61/56/1055156156.db2.gz IALPNMFKCXMBCT-UHFFFAOYSA-N 1 3 304.453 4.044 20 30 DIEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246037708 1058660244 /nfs/dbraw/zinc/66/02/44/1058660244.db2.gz XDJYFHBKSDMBPS-LJQANCHMSA-N 1 3 324.553 4.096 20 30 DIEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246037708 1058660259 /nfs/dbraw/zinc/66/02/59/1058660259.db2.gz XDJYFHBKSDMBPS-LJQANCHMSA-N 1 3 324.553 4.096 20 30 DIEDHO C=CCCCCCC[C@H](O)CNC1CC[NH+](C(CC)CC)CC1 ZINC001253256478 1061861158 /nfs/dbraw/zinc/86/11/58/1061861158.db2.gz ZBAGDQONDFRFFD-FQEVSTJZSA-N 1 3 324.553 4.117 20 30 DIEDHO C=C1C[C@@H]2CC([NH+]3CCC(N)(Cc4ccccc4)CC3)C[C@H](C1)C2 ZINC001257890595 1063427452 /nfs/dbraw/zinc/42/74/52/1063427452.db2.gz QRWKNTXQQMUEFN-WCRBZPEASA-N 1 3 324.512 4.157 20 30 DIEDHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000074335602 331671145 /nfs/dbraw/zinc/67/11/45/331671145.db2.gz JQMBLZNGBOLNPA-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029603 337696406 /nfs/dbraw/zinc/69/64/06/337696406.db2.gz IPCBFTQXHIGDNE-XHSDSOJGSA-N 1 3 307.441 4.002 20 30 DIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181609303 519630008 /nfs/dbraw/zinc/63/00/08/519630008.db2.gz JSJMEGMGWUQIFI-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181609303 519630010 /nfs/dbraw/zinc/63/00/10/519630010.db2.gz JSJMEGMGWUQIFI-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO C=C(CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205206 1040111434 /nfs/dbraw/zinc/11/14/34/1040111434.db2.gz CPXMTWMJWBHYII-DENIHFKCSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205206 1040111451 /nfs/dbraw/zinc/11/14/51/1040111451.db2.gz CPXMTWMJWBHYII-DENIHFKCSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310205206 1040111458 /nfs/dbraw/zinc/11/14/58/1040111458.db2.gz CPXMTWMJWBHYII-DENIHFKCSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998017 1041747883 /nfs/dbraw/zinc/74/78/83/1041747883.db2.gz UJXJUUJYMDHMGL-UGKGYDQZSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998017 1041747888 /nfs/dbraw/zinc/74/78/88/1041747888.db2.gz UJXJUUJYMDHMGL-UGKGYDQZSA-N 1 3 320.480 4.200 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995766 1043076021 /nfs/dbraw/zinc/07/60/21/1043076021.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 3 324.512 4.470 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995766 1043076032 /nfs/dbraw/zinc/07/60/32/1043076032.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 3 324.512 4.470 20 30 DIEDHO C=CCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995766 1043076038 /nfs/dbraw/zinc/07/60/38/1043076038.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 3 324.512 4.470 20 30 DIEDHO C=CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995766 1043076053 /nfs/dbraw/zinc/07/60/53/1043076053.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 3 324.512 4.470 20 30 DIEDHO CCCCCCCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281409 1048617188 /nfs/dbraw/zinc/61/71/88/1048617188.db2.gz NGJCSUMZTAEWKH-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001176281409 1048617195 /nfs/dbraw/zinc/61/71/95/1048617195.db2.gz NGJCSUMZTAEWKH-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001176281409 1048617198 /nfs/dbraw/zinc/61/71/98/1048617198.db2.gz NGJCSUMZTAEWKH-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO C=CCCCCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209428285 1050057197 /nfs/dbraw/zinc/05/71/97/1050057197.db2.gz DLYAGTSFVWYNPY-UHFFFAOYSA-N 1 3 312.501 4.256 20 30 DIEDHO C=CCCCCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209428285 1050057200 /nfs/dbraw/zinc/05/72/00/1050057200.db2.gz DLYAGTSFVWYNPY-UHFFFAOYSA-N 1 3 312.501 4.256 20 30 DIEDHO CCCCCCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001171554627 1051165029 /nfs/dbraw/zinc/16/50/29/1051165029.db2.gz LAHRWQYHKQYYTA-UHFFFAOYSA-N 1 3 303.494 4.344 20 30 DIEDHO CCCCCCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001171554627 1051165036 /nfs/dbraw/zinc/16/50/36/1051165036.db2.gz LAHRWQYHKQYYTA-UHFFFAOYSA-N 1 3 303.494 4.344 20 30 DIEDHO C=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657321 1051356604 /nfs/dbraw/zinc/35/66/04/1051356604.db2.gz SBLKKHMKGCUZAE-DENIHFKCSA-N 1 3 320.480 4.343 20 30 DIEDHO C=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657321 1051356615 /nfs/dbraw/zinc/35/66/15/1051356615.db2.gz SBLKKHMKGCUZAE-DENIHFKCSA-N 1 3 320.480 4.343 20 30 DIEDHO CCCCCCCC[C@@H](CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561295 1059004222 /nfs/dbraw/zinc/00/42/22/1059004222.db2.gz WCXBUPIAVLFFPU-HZPDHXFCSA-N 1 3 304.469 4.432 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785347 1059083381 /nfs/dbraw/zinc/08/33/81/1059083381.db2.gz AFXBDJBKOPRPSF-OALUTQOASA-N 1 3 300.490 4.231 20 30 DIEDHO C=CCC[C@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951610 1059193917 /nfs/dbraw/zinc/19/39/17/1059193917.db2.gz MTSDOCCPVZUMAZ-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951610 1059193924 /nfs/dbraw/zinc/19/39/24/1059193924.db2.gz MTSDOCCPVZUMAZ-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951610 1059193930 /nfs/dbraw/zinc/19/39/30/1059193930.db2.gz MTSDOCCPVZUMAZ-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C#CCCCCCC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001560069678 1059880703 /nfs/dbraw/zinc/88/07/03/1059880703.db2.gz YICPEEWNFKQAIE-FQEVSTJZSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001560069678 1059880725 /nfs/dbraw/zinc/88/07/25/1059880725.db2.gz YICPEEWNFKQAIE-FQEVSTJZSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176807 /nfs/dbraw/zinc/17/68/07/1062176807.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001459511260 1062176817 /nfs/dbraw/zinc/17/68/17/1062176817.db2.gz FPMDKMDSCNVKHD-VQTJNVASSA-N 1 3 304.522 4.157 20 30 DIEDHO C=C1C[C@@H]2CC([NH2+]C3CCN(C(CC)CC)CC3)C[C@H](C1)C2 ZINC001257890402 1063429148 /nfs/dbraw/zinc/42/91/48/1063429148.db2.gz KHBORKCNSQFNPH-JJTKIYQPSA-N 1 3 304.522 4.364 20 30 DIEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258722386 1063775980 /nfs/dbraw/zinc/77/59/80/1063775980.db2.gz HODBQWNWUQEINB-MRXNPFEDSA-N 1 3 320.908 4.496 20 30 DIEDHO C=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001258723600 1063777205 /nfs/dbraw/zinc/77/72/05/1063777205.db2.gz ZSTFGRAMONQAJB-INIZCTEOSA-N 1 3 320.908 4.496 20 30 DIEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001258723601 1063777253 /nfs/dbraw/zinc/77/72/53/1063777253.db2.gz ZSTFGRAMONQAJB-MRXNPFEDSA-N 1 3 320.908 4.496 20 30 DIEDHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710295 334100220 /nfs/dbraw/zinc/10/02/20/334100220.db2.gz LNJGRYOKPPZGIZ-OAQYLSRUSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710295 334100221 /nfs/dbraw/zinc/10/02/21/334100221.db2.gz LNJGRYOKPPZGIZ-OAQYLSRUSA-N 1 3 321.468 4.251 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2c(C)cc(Cl)cc2C)CC1 ZINC000534564208 334286453 /nfs/dbraw/zinc/28/64/53/334286453.db2.gz IDJZXUQATZZEOO-UHFFFAOYSA-N 1 3 306.881 4.087 20 30 DIEDHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512671662 340372377 /nfs/dbraw/zinc/37/23/77/340372377.db2.gz GQRWEKQYMSYXNI-MRXNPFEDSA-N 1 3 317.452 4.004 20 30 DIEDHO C=CCCCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001209442024 1036188079 /nfs/dbraw/zinc/18/80/79/1036188079.db2.gz NRYRZTYIJAKMHW-UHFFFAOYSA-N 1 3 322.537 4.088 20 30 DIEDHO C=CCCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163365 1040339349 /nfs/dbraw/zinc/33/93/49/1040339349.db2.gz IZLISOGNYCWOIV-GOSISDBHSA-N 1 3 315.505 4.018 20 30 DIEDHO C=CC[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076364 1042968728 /nfs/dbraw/zinc/96/87/28/1042968728.db2.gz WSLXIPOWRQHKDG-OXJNMPFZSA-N 1 3 309.457 4.111 20 30 DIEDHO C=CC[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076366 1042969109 /nfs/dbraw/zinc/96/91/09/1042969109.db2.gz WSLXIPOWRQHKDG-OXQOHEQNSA-N 1 3 309.457 4.111 20 30 DIEDHO C=CCCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000665236611 1043293413 /nfs/dbraw/zinc/29/34/13/1043293413.db2.gz QRUARUULCLCXHY-OAHLLOKOSA-N 1 3 301.478 4.026 20 30 DIEDHO C#CC1(NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC001168033533 1043751047 /nfs/dbraw/zinc/75/10/47/1043751047.db2.gz MBFSEVSGDOJUIT-RTBURBONSA-N 1 3 324.512 4.354 20 30 DIEDHO C[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000924787428 1045198338 /nfs/dbraw/zinc/19/83/38/1045198338.db2.gz XEPXQVBVYYUFEC-HOTGVXAUSA-N 1 3 307.441 4.032 20 30 DIEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001177683366 1048927531 /nfs/dbraw/zinc/92/75/31/1048927531.db2.gz CCAJPVVTXVENBX-SREVYHEPSA-N 1 3 312.501 4.255 20 30 DIEDHO C=CCCN(C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214756 /nfs/dbraw/zinc/21/47/56/1049214756.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 1 3 322.496 4.410 20 30 DIEDHO C=CCCN(C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193473520 1049214769 /nfs/dbraw/zinc/21/47/69/1049214769.db2.gz OFVYJLJDCPDLLV-JOCHJYFZSA-N 1 3 322.496 4.410 20 30 DIEDHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196935998 1049706911 /nfs/dbraw/zinc/70/69/11/1049706911.db2.gz NTBFHWKBVPUVDM-IBGZPJMESA-N 1 3 319.537 4.293 20 30 DIEDHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196935998 1049706922 /nfs/dbraw/zinc/70/69/22/1049706922.db2.gz NTBFHWKBVPUVDM-IBGZPJMESA-N 1 3 319.537 4.293 20 30 DIEDHO CC1CC[NH+](CC[C@@H]2CCCN2CCCCC(C)(C)C#N)CC1 ZINC001196935998 1049706932 /nfs/dbraw/zinc/70/69/32/1049706932.db2.gz NTBFHWKBVPUVDM-IBGZPJMESA-N 1 3 319.537 4.293 20 30 DIEDHO C#CC1(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979636 1051267787 /nfs/dbraw/zinc/26/77/87/1051267787.db2.gz POBPXBMPANEFQG-HXUWFJFHSA-N 1 3 324.512 4.355 20 30 DIEDHO C#CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979636 1051267791 /nfs/dbraw/zinc/26/77/91/1051267791.db2.gz POBPXBMPANEFQG-HXUWFJFHSA-N 1 3 324.512 4.355 20 30 DIEDHO C=CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C1CCCCC1 ZINC001232151916 1053971983 /nfs/dbraw/zinc/97/19/83/1053971983.db2.gz RULXZAWRTFRFGD-UHFFFAOYSA-N 1 3 304.453 4.208 20 30 DIEDHO C=CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C1CCCCC1 ZINC001232151916 1053971998 /nfs/dbraw/zinc/97/19/98/1053971998.db2.gz RULXZAWRTFRFGD-UHFFFAOYSA-N 1 3 304.453 4.208 20 30 DIEDHO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001334049764 1054180832 /nfs/dbraw/zinc/18/08/32/1054180832.db2.gz SQDGEJFHMKMSKI-ZWKOTPCHSA-N 1 3 317.521 4.093 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246423097 1058918129 /nfs/dbraw/zinc/91/81/29/1058918129.db2.gz XWJMFGOTINZMHG-SFHVURJKSA-N 1 3 317.521 4.085 20 30 DIEDHO CCCCCCCC[C@H](CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561292 1059007491 /nfs/dbraw/zinc/00/74/91/1059007491.db2.gz WCXBUPIAVLFFPU-CVEARBPZSA-N 1 3 304.469 4.432 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785348 1059084898 /nfs/dbraw/zinc/08/48/98/1059084898.db2.gz AFXBDJBKOPRPSF-RBUKOAKNSA-N 1 3 300.490 4.231 20 30 DIEDHO CC[C@@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924941 1059180585 /nfs/dbraw/zinc/18/05/85/1059180585.db2.gz UWQJRYJDLVMONH-KOUNCHBCSA-N 1 3 324.512 4.059 20 30 DIEDHO CC[C@@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924956 1059181157 /nfs/dbraw/zinc/18/11/57/1059181157.db2.gz UWQJRYJDLVMONH-ZBYYUNFXSA-N 1 3 324.512 4.059 20 30 DIEDHO CCCC[C@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922839 1059181658 /nfs/dbraw/zinc/18/16/58/1059181658.db2.gz MMVAAWUXTYAXJH-FCHUYYIVSA-N 1 3 324.512 4.061 20 30 DIEDHO C=CCCCCCC[C@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253250535 1061853238 /nfs/dbraw/zinc/85/32/38/1061853238.db2.gz BKTRFWSAWNIQED-SFHVURJKSA-N 1 3 324.553 4.115 20 30 DIEDHO C=CCCCCCC[C@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001253250535 1061853252 /nfs/dbraw/zinc/85/32/52/1061853252.db2.gz BKTRFWSAWNIQED-SFHVURJKSA-N 1 3 324.553 4.115 20 30 DIEDHO C=CCC[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514001 332348630 /nfs/dbraw/zinc/34/86/30/332348630.db2.gz ATLVUIXRODPQGU-ZWKOTPCHSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514001 332348632 /nfs/dbraw/zinc/34/86/32/332348632.db2.gz ATLVUIXRODPQGU-ZWKOTPCHSA-N 1 3 304.478 4.389 20 30 DIEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CCCC#N)c1ccccc1 ZINC000423122002 337700368 /nfs/dbraw/zinc/70/03/68/337700368.db2.gz BSJHBDSVFAEHLB-RLLQIKCJSA-N 1 3 313.489 4.322 20 30 DIEDHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193993 338006584 /nfs/dbraw/zinc/00/65/84/338006584.db2.gz VHGCYUQOQOUSGR-IWMITWMQSA-N 1 3 319.452 4.146 20 30 DIEDHO C=CCCCC[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449249220 338606730 /nfs/dbraw/zinc/60/67/30/338606730.db2.gz IMYARZWUPMNGMC-QGZVFWFLSA-N 1 3 301.478 4.023 20 30 DIEDHO C=CCC[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000552032867 341363303 /nfs/dbraw/zinc/36/33/03/341363303.db2.gz AMBSQJMKPATKEC-SFHVURJKSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000552032866 341363313 /nfs/dbraw/zinc/36/33/13/341363313.db2.gz AMBSQJMKPATKEC-GOSISDBHSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@H](CCC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166711 1040339139 /nfs/dbraw/zinc/33/91/39/1040339139.db2.gz OFEPOMHQNRYPRR-FQEVSTJZSA-N 1 3 315.505 4.018 20 30 DIEDHO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422992217 1042694834 /nfs/dbraw/zinc/69/48/34/1042694834.db2.gz CHEHQOJTJPJFRZ-JXFKEZNVSA-N 1 3 309.457 4.207 20 30 DIEDHO C=CC[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076362 1042969682 /nfs/dbraw/zinc/96/96/82/1042969682.db2.gz WSLXIPOWRQHKDG-JXFKEZNVSA-N 1 3 309.457 4.111 20 30 DIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000173915317 1043056520 /nfs/dbraw/zinc/05/65/20/1043056520.db2.gz UFXICQYVGXQLCT-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000173915317 1043056535 /nfs/dbraw/zinc/05/65/35/1043056535.db2.gz UFXICQYVGXQLCT-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833410 1046080096 /nfs/dbraw/zinc/08/00/96/1046080096.db2.gz ZCJNQOKLNFVVAY-HXUWFJFHSA-N 1 3 311.473 4.006 20 30 DIEDHO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000775409544 1048784603 /nfs/dbraw/zinc/78/46/03/1048784603.db2.gz NVBHHEHCMAQONJ-JKSUJKDBSA-N 1 3 304.478 4.152 20 30 DIEDHO CCCCCCCOc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136063 1049389679 /nfs/dbraw/zinc/38/96/79/1049389679.db2.gz JSRNDUNQEHGBEV-PKOBYXMFSA-N 1 3 318.505 4.062 20 30 DIEDHO C=CCCC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001181410812 1049469938 /nfs/dbraw/zinc/46/99/38/1049469938.db2.gz QGWQQHSODHYMSY-OAQYLSRUSA-N 1 3 314.517 4.481 20 30 DIEDHO C=CCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000790494237 1050962802 /nfs/dbraw/zinc/96/28/02/1050962802.db2.gz ATXZBKKWSLGOHE-QGZVFWFLSA-N 1 3 316.489 4.298 20 30 DIEDHO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001334049762 1054179457 /nfs/dbraw/zinc/17/94/57/1054179457.db2.gz SQDGEJFHMKMSKI-QZTJIDSGSA-N 1 3 317.521 4.093 20 30 DIEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000382018276 1055197199 /nfs/dbraw/zinc/19/71/99/1055197199.db2.gz WVHJTDDLYFSAER-ICSRJNTNSA-N 1 3 300.490 4.233 20 30 DIEDHO CCCCCCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237300927 1055420354 /nfs/dbraw/zinc/42/03/54/1055420354.db2.gz RFIUGTSMZKTQDL-UHFFFAOYSA-N 1 3 300.490 4.441 20 30 DIEDHO CCCCCCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237300927 1055420361 /nfs/dbraw/zinc/42/03/61/1055420361.db2.gz RFIUGTSMZKTQDL-UHFFFAOYSA-N 1 3 300.490 4.441 20 30 DIEDHO C=CCC[C@@H](CCC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166713 1057300617 /nfs/dbraw/zinc/30/06/17/1057300617.db2.gz OFEPOMHQNRYPRR-HXUWFJFHSA-N 1 3 315.505 4.018 20 30 DIEDHO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246338235 1058850064 /nfs/dbraw/zinc/85/00/64/1058850064.db2.gz DKISRMKAMLFSBB-SLFFLAALSA-N 1 3 317.521 4.461 20 30 DIEDHO C=CC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492678 1058969382 /nfs/dbraw/zinc/96/93/82/1058969382.db2.gz XLJDFKIGJVNRQK-YPAWHYETSA-N 1 3 320.480 4.257 20 30 DIEDHO C=CC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492677 1058972373 /nfs/dbraw/zinc/97/23/73/1058972373.db2.gz XLJDFKIGJVNRQK-FDFHNCONSA-N 1 3 320.480 4.257 20 30 DIEDHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1Cl ZINC000559891615 332289844 /nfs/dbraw/zinc/28/98/44/332289844.db2.gz DPGDGCBAUUKAGV-HNNXBMFYSA-N 1 3 319.880 4.128 20 30 DIEDHO CC(C)(C)N1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340446013 334203493 /nfs/dbraw/zinc/20/34/93/334203493.db2.gz MYHNEMWQMPOFCX-LJQANCHMSA-N 1 3 313.489 4.274 20 30 DIEDHO CC(C)(C)[NH+]1CCC(N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000340446013 334203494 /nfs/dbraw/zinc/20/34/94/334203494.db2.gz MYHNEMWQMPOFCX-LJQANCHMSA-N 1 3 313.489 4.274 20 30 DIEDHO C=CCC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422992220 337693959 /nfs/dbraw/zinc/69/39/59/337693959.db2.gz CHEHQOJTJPJFRZ-UZLBHIALSA-N 1 3 309.457 4.207 20 30 DIEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CCCC#N)c1ccccc1 ZINC000423122003 337700484 /nfs/dbraw/zinc/70/04/84/337700484.db2.gz BSJHBDSVFAEHLB-YZGWKJHDSA-N 1 3 313.489 4.322 20 30 DIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181609257 519629481 /nfs/dbraw/zinc/62/94/81/519629481.db2.gz QSNYUXCBZXCZGF-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181609257 519629483 /nfs/dbraw/zinc/62/94/83/519629483.db2.gz QSNYUXCBZXCZGF-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000181609275 519629632 /nfs/dbraw/zinc/62/96/32/519629632.db2.gz QSNYUXCBZXCZGF-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000181609275 519629634 /nfs/dbraw/zinc/62/96/34/519629634.db2.gz QSNYUXCBZXCZGF-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181495373 519630971 /nfs/dbraw/zinc/63/09/71/519630971.db2.gz KHZHDRKWZUALCP-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181495373 519630972 /nfs/dbraw/zinc/63/09/72/519630972.db2.gz KHZHDRKWZUALCP-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO C#CC(CC)(CC)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004899 1043238573 /nfs/dbraw/zinc/23/85/73/1043238573.db2.gz BLJRNRDCCPZMTI-ROUUACIJSA-N 1 3 312.501 4.210 20 30 DIEDHO C[C@H](NCCC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519895 1045016413 /nfs/dbraw/zinc/01/64/13/1045016413.db2.gz UHYYMLGSCYRBQW-ZWKOTPCHSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@H](NCCC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519895 1045016417 /nfs/dbraw/zinc/01/64/17/1045016417.db2.gz UHYYMLGSCYRBQW-ZWKOTPCHSA-N 1 3 317.521 4.093 20 30 DIEDHO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000775409541 1048783844 /nfs/dbraw/zinc/78/38/44/1048783844.db2.gz NVBHHEHCMAQONJ-HOTGVXAUSA-N 1 3 304.478 4.152 20 30 DIEDHO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775411913 1048785487 /nfs/dbraw/zinc/78/54/87/1048785487.db2.gz YKUCXJCTTVBGOF-DLBZAZTESA-N 1 3 316.489 4.296 20 30 DIEDHO C=CCCCCCN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209433273 1050058730 /nfs/dbraw/zinc/05/87/30/1050058730.db2.gz SYEGHVZWXBNNSC-UHFFFAOYSA-N 1 3 318.480 4.468 20 30 DIEDHO C=CCCCCCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209433273 1050058734 /nfs/dbraw/zinc/05/87/34/1050058734.db2.gz SYEGHVZWXBNNSC-UHFFFAOYSA-N 1 3 318.480 4.468 20 30 DIEDHO C=CCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000790494236 1050963009 /nfs/dbraw/zinc/96/30/09/1050963009.db2.gz ATXZBKKWSLGOHE-KRWDZBQOSA-N 1 3 316.489 4.298 20 30 DIEDHO C=C(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657322 1051356522 /nfs/dbraw/zinc/35/65/22/1051356522.db2.gz SBLKKHMKGCUZAE-KNQAVFIVSA-N 1 3 320.480 4.343 20 30 DIEDHO C=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657322 1051356526 /nfs/dbraw/zinc/35/65/26/1051356526.db2.gz SBLKKHMKGCUZAE-KNQAVFIVSA-N 1 3 320.480 4.343 20 30 DIEDHO CCCCCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595579 1052514867 /nfs/dbraw/zinc/51/48/67/1052514867.db2.gz DEGKBNGRHHKTMV-IBGZPJMESA-N 1 3 300.490 4.036 20 30 DIEDHO C=CCCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509133 1055152903 /nfs/dbraw/zinc/15/29/03/1055152903.db2.gz HBWINWASLJTRLZ-UHFFFAOYSA-N 1 3 304.453 4.044 20 30 DIEDHO C=CCCCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516555 1055156223 /nfs/dbraw/zinc/15/62/23/1055156223.db2.gz FYTDQIQFHILVOM-UHFFFAOYSA-N 1 3 318.480 4.435 20 30 DIEDHO C=CCCCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516555 1055156229 /nfs/dbraw/zinc/15/62/29/1055156229.db2.gz FYTDQIQFHILVOM-UHFFFAOYSA-N 1 3 318.480 4.435 20 30 DIEDHO C=CCCCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516555 1055156234 /nfs/dbraw/zinc/15/62/34/1055156234.db2.gz FYTDQIQFHILVOM-UHFFFAOYSA-N 1 3 318.480 4.435 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2cccc(C3CCCC3)c2)CC1 ZINC001620772499 1055941275 /nfs/dbraw/zinc/94/12/75/1055941275.db2.gz HGUNIKDRCVWMNB-UHFFFAOYSA-N 1 3 312.501 4.474 20 30 DIEDHO CCCCCCCC[C@@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246390423 1058891413 /nfs/dbraw/zinc/89/14/13/1058891413.db2.gz LTDPRYHRNFTJLQ-GOSISDBHSA-N 1 3 312.542 4.264 20 30 DIEDHO C=CC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492675 1058972075 /nfs/dbraw/zinc/97/20/75/1058972075.db2.gz XLJDFKIGJVNRQK-BHIFYINESA-N 1 3 320.480 4.257 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794943 1059098837 /nfs/dbraw/zinc/09/88/37/1059098837.db2.gz LHGYXTKKISELTQ-OALUTQOASA-N 1 3 300.490 4.374 20 30 DIEDHO C=CCC[C@@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951622 1059195974 /nfs/dbraw/zinc/19/59/74/1059195974.db2.gz MTSDOCCPVZUMAZ-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951622 1059195986 /nfs/dbraw/zinc/19/59/86/1059195986.db2.gz MTSDOCCPVZUMAZ-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246951622 1059195994 /nfs/dbraw/zinc/19/59/94/1059195994.db2.gz MTSDOCCPVZUMAZ-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO CCCCCCCC[C@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC001252138933 1061596494 /nfs/dbraw/zinc/59/64/94/1061596494.db2.gz GFGSFPLBAXRJTF-FQEVSTJZSA-N 1 3 324.553 4.095 20 30 DIEDHO CCCCCCCC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252138933 1061596515 /nfs/dbraw/zinc/59/65/15/1061596515.db2.gz GFGSFPLBAXRJTF-FQEVSTJZSA-N 1 3 324.553 4.095 20 30 DIEDHO C#CCCCCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174792 /nfs/dbraw/zinc/17/47/92/1062174792.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001459511262 1062174803 /nfs/dbraw/zinc/17/48/03/1062174803.db2.gz FPMDKMDSCNVKHD-WOJBJXKFSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176351 /nfs/dbraw/zinc/17/63/51/1062176351.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001459511251 1062176363 /nfs/dbraw/zinc/17/63/63/1062176363.db2.gz FPMDKMDSCNVKHD-PMACEKPBSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177111 /nfs/dbraw/zinc/17/71/11/1062177111.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001459511256 1062177120 /nfs/dbraw/zinc/17/71/20/1062177120.db2.gz FPMDKMDSCNVKHD-UXHICEINSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001255136031 1062330629 /nfs/dbraw/zinc/33/06/29/1062330629.db2.gz LQILGALFCGTBDR-WKCHPHFGSA-N 1 3 322.496 4.108 20 30 DIEDHO C#CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001255136031 1062330650 /nfs/dbraw/zinc/33/06/50/1062330650.db2.gz LQILGALFCGTBDR-WKCHPHFGSA-N 1 3 322.496 4.108 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC3(CCC[N@@H+](C)C3)CC2)CC1 ZINC001279490952 1064352862 /nfs/dbraw/zinc/35/28/62/1064352862.db2.gz VORBGVYHXHCKHH-LJQANCHMSA-N 1 3 302.506 4.097 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC3(CCC[N@H+](C)C3)CC2)CC1 ZINC001279490952 1064352872 /nfs/dbraw/zinc/35/28/72/1064352872.db2.gz VORBGVYHXHCKHH-LJQANCHMSA-N 1 3 302.506 4.097 20 30 DIEDHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1Cl ZINC000559891623 332289942 /nfs/dbraw/zinc/28/99/42/332289942.db2.gz DPGDGCBAUUKAGV-OAHLLOKOSA-N 1 3 319.880 4.128 20 30 DIEDHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188190958 333357833 /nfs/dbraw/zinc/35/78/33/333357833.db2.gz GJIHYHGBPCMGFS-KRWDZBQOSA-N 1 3 313.489 4.063 20 30 DIEDHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188190958 333357834 /nfs/dbraw/zinc/35/78/34/333357834.db2.gz GJIHYHGBPCMGFS-KRWDZBQOSA-N 1 3 313.489 4.063 20 30 DIEDHO CC(C)(C)N1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340446012 334203475 /nfs/dbraw/zinc/20/34/75/334203475.db2.gz MYHNEMWQMPOFCX-IBGZPJMESA-N 1 3 313.489 4.274 20 30 DIEDHO CC(C)(C)[NH+]1CCC(N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340446012 334203476 /nfs/dbraw/zinc/20/34/76/334203476.db2.gz MYHNEMWQMPOFCX-IBGZPJMESA-N 1 3 313.489 4.274 20 30 DIEDHO C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000541913726 1039759239 /nfs/dbraw/zinc/75/92/39/1039759239.db2.gz WHYHGJDNSGYNAJ-GOSISDBHSA-N 1 3 324.871 4.416 20 30 DIEDHO C=C(CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205212 1040111063 /nfs/dbraw/zinc/11/10/63/1040111063.db2.gz CPXMTWMJWBHYII-UGKGYDQZSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205212 1040111070 /nfs/dbraw/zinc/11/10/70/1040111070.db2.gz CPXMTWMJWBHYII-UGKGYDQZSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310205212 1040111081 /nfs/dbraw/zinc/11/10/81/1040111081.db2.gz CPXMTWMJWBHYII-UGKGYDQZSA-N 1 3 320.480 4.200 20 30 DIEDHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000278863245 1042109029 /nfs/dbraw/zinc/10/90/29/1042109029.db2.gz WMLZDXAWOXNSJT-HXUWFJFHSA-N 1 3 311.473 4.006 20 30 DIEDHO CCCCCCC[C@@H](CC)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107996 1042249329 /nfs/dbraw/zinc/24/93/29/1042249329.db2.gz BQPDLBHUMVHHIP-HUUCEWRRSA-N 1 3 308.432 4.257 20 30 DIEDHO CCCCCCC[C@@H](CC)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107981 1042249660 /nfs/dbraw/zinc/24/96/60/1042249660.db2.gz BQPDLBHUMVHHIP-CABCVRRESA-N 1 3 308.432 4.257 20 30 DIEDHO CCCCCCC[C@H](CC)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107999 1042249797 /nfs/dbraw/zinc/24/97/97/1042249797.db2.gz BQPDLBHUMVHHIP-LSDHHAIUSA-N 1 3 308.432 4.257 20 30 DIEDHO C=CC[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001766 1043196626 /nfs/dbraw/zinc/19/66/26/1043196626.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 1 3 302.506 4.213 20 30 DIEDHO C=CC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001766 1043196631 /nfs/dbraw/zinc/19/66/31/1043196631.db2.gz HJOCZZUQPXBADM-YOFSQIOKSA-N 1 3 302.506 4.213 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000521337869 1043387387 /nfs/dbraw/zinc/38/73/87/1043387387.db2.gz MXSJHONQGHSRGU-UHFFFAOYSA-N 1 3 300.490 4.114 20 30 DIEDHO C#CC[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635278 1043440741 /nfs/dbraw/zinc/44/07/41/1043440741.db2.gz PQUBMOUTRAOHTJ-DYESRHJHSA-N 1 3 306.453 4.163 20 30 DIEDHO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000775409540 1048784131 /nfs/dbraw/zinc/78/41/31/1048784131.db2.gz NVBHHEHCMAQONJ-CVEARBPZSA-N 1 3 304.478 4.152 20 30 DIEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001177683367 1048927870 /nfs/dbraw/zinc/92/78/70/1048927870.db2.gz CCAJPVVTXVENBX-VOTSOKGWSA-N 1 3 312.501 4.255 20 30 DIEDHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172507447 1051425267 /nfs/dbraw/zinc/42/52/67/1051425267.db2.gz URDGMRZXGSIMPP-SFHVURJKSA-N 1 3 313.489 4.055 20 30 DIEDHO CCCCCCCC[C@@H](O)CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014330 1058657250 /nfs/dbraw/zinc/65/72/50/1058657250.db2.gz LFUVVZJEHARDTQ-RBUKOAKNSA-N 1 3 324.553 4.142 20 30 DIEDHO CCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014324 1058657354 /nfs/dbraw/zinc/65/73/54/1058657354.db2.gz LFUVVZJEHARDTQ-MOPGFXCFSA-N 1 3 324.553 4.142 20 30 DIEDHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312187 1058819153 /nfs/dbraw/zinc/81/91/53/1058819153.db2.gz BEHDSCWVNSEPTI-NJDAHSKKSA-N 1 3 319.452 4.092 20 30 DIEDHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312188 1058820119 /nfs/dbraw/zinc/82/01/19/1058820119.db2.gz BEHDSCWVNSEPTI-NJYVYQBISA-N 1 3 319.452 4.092 20 30 DIEDHO CCCCCCC[C@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246396786 1058901546 /nfs/dbraw/zinc/90/15/46/1058901546.db2.gz YWKKJVOMXKCEIY-SFHVURJKSA-N 1 3 312.542 4.264 20 30 DIEDHO C=C1C[C@@H]2CC([NH2+]C3(Cc4ccccc4)CCNCC3)C[C@H](C1)C2 ZINC001246449704 1058937004 /nfs/dbraw/zinc/93/70/04/1058937004.db2.gz CCBYOAAILOTWAW-WCRBZPEASA-N 1 3 324.512 4.076 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246785349 1059085261 /nfs/dbraw/zinc/08/52/61/1059085261.db2.gz AFXBDJBKOPRPSF-RTBURBONSA-N 1 3 300.490 4.231 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246785345 1059087080 /nfs/dbraw/zinc/08/70/80/1059087080.db2.gz AFXBDJBKOPRPSF-MOPGFXCFSA-N 1 3 300.490 4.231 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794933 1059096851 /nfs/dbraw/zinc/09/68/51/1059096851.db2.gz LHGYXTKKISELTQ-ACDBMABISA-N 1 3 300.490 4.374 20 30 DIEDHO C=CCC[C@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945310 1059190516 /nfs/dbraw/zinc/19/05/16/1059190516.db2.gz GNCPYVLGAAHNAE-HNNXBMFYSA-N 1 3 306.881 4.249 20 30 DIEDHO C=CCC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945310 1059190535 /nfs/dbraw/zinc/19/05/35/1059190535.db2.gz GNCPYVLGAAHNAE-HNNXBMFYSA-N 1 3 306.881 4.249 20 30 DIEDHO C=CCC[C@@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246962911 1059204095 /nfs/dbraw/zinc/20/40/95/1059204095.db2.gz WIJICXZZVAHOER-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246962911 1059204111 /nfs/dbraw/zinc/20/41/11/1059204111.db2.gz WIJICXZZVAHOER-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C#CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001255136029 1062331909 /nfs/dbraw/zinc/33/19/09/1062331909.db2.gz LQILGALFCGTBDR-MZADTFQBSA-N 1 3 322.496 4.108 20 30 DIEDHO C#CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001255136029 1062331932 /nfs/dbraw/zinc/33/19/32/1062331932.db2.gz LQILGALFCGTBDR-MZADTFQBSA-N 1 3 322.496 4.108 20 30 DIEDHO C=CCC[C@@H](C)N1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001258735585 1063784531 /nfs/dbraw/zinc/78/45/31/1063784531.db2.gz XGSHXIIRIFRHCH-GOSISDBHSA-N 1 3 300.490 4.328 20 30 DIEDHO C=CCC[C@@H](C)N1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001258735585 1063784535 /nfs/dbraw/zinc/78/45/35/1063784535.db2.gz XGSHXIIRIFRHCH-GOSISDBHSA-N 1 3 300.490 4.328 20 30 DIEDHO C=CCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459458756 339030333 /nfs/dbraw/zinc/03/03/33/339030333.db2.gz YXDKIFAJKGFHRS-NRFANRHFSA-N 1 3 321.468 4.348 20 30 DIEDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650036 340371019 /nfs/dbraw/zinc/37/10/19/340371019.db2.gz WNRAZXWDGHUDAX-JKSUJKDBSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650036 340371020 /nfs/dbraw/zinc/37/10/20/340371020.db2.gz WNRAZXWDGHUDAX-JKSUJKDBSA-N 1 3 317.452 4.003 20 30 DIEDHO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422992219 1042694306 /nfs/dbraw/zinc/69/43/06/1042694306.db2.gz CHEHQOJTJPJFRZ-OXQOHEQNSA-N 1 3 309.457 4.207 20 30 DIEDHO C=CC[C@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000925076368 1042970716 /nfs/dbraw/zinc/97/07/16/1042970716.db2.gz WSLXIPOWRQHKDG-UZLBHIALSA-N 1 3 309.457 4.111 20 30 DIEDHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000173838226 1043053653 /nfs/dbraw/zinc/05/36/53/1043053653.db2.gz DAWKZRHHOBDSLD-KRWDZBQOSA-N 1 3 319.452 4.005 20 30 DIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000173915302 1043055427 /nfs/dbraw/zinc/05/54/27/1043055427.db2.gz UFXICQYVGXQLCT-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000173915302 1043055439 /nfs/dbraw/zinc/05/54/39/1043055439.db2.gz UFXICQYVGXQLCT-KRWDZBQOSA-N 1 3 321.468 4.249 20 30 DIEDHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000173954650 1043058288 /nfs/dbraw/zinc/05/82/88/1043058288.db2.gz JUKSGKURGNLQNF-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C#CC(CC)(CC)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168004898 1043239485 /nfs/dbraw/zinc/23/94/85/1043239485.db2.gz BLJRNRDCCPZMTI-QZTJIDSGSA-N 1 3 312.501 4.210 20 30 DIEDHO C#CC[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635280 1043440513 /nfs/dbraw/zinc/44/05/13/1043440513.db2.gz PQUBMOUTRAOHTJ-LAUBAEHRSA-N 1 3 306.453 4.163 20 30 DIEDHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000192938232 1049031178 /nfs/dbraw/zinc/03/11/78/1049031178.db2.gz SDFGTJNQOBGGOQ-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196936003 1049706190 /nfs/dbraw/zinc/70/61/90/1049706190.db2.gz NTBFHWKBVPUVDM-LJQANCHMSA-N 1 3 319.537 4.293 20 30 DIEDHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)CC1 ZINC001196936003 1049706199 /nfs/dbraw/zinc/70/61/99/1049706199.db2.gz NTBFHWKBVPUVDM-LJQANCHMSA-N 1 3 319.537 4.293 20 30 DIEDHO CC1CC[NH+](CC[C@H]2CCCN2CCCCC(C)(C)C#N)CC1 ZINC001196936003 1049706204 /nfs/dbraw/zinc/70/62/04/1049706204.db2.gz NTBFHWKBVPUVDM-LJQANCHMSA-N 1 3 319.537 4.293 20 30 DIEDHO C=CCCCC[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001209202181 1050044078 /nfs/dbraw/zinc/04/40/78/1050044078.db2.gz BIENLIQWYAFCLQ-UHFFFAOYSA-N 1 3 300.490 4.329 20 30 DIEDHO CCCCCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595580 1052515094 /nfs/dbraw/zinc/51/50/94/1052515094.db2.gz DEGKBNGRHHKTMV-LJQANCHMSA-N 1 3 300.490 4.036 20 30 DIEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000382018274 1055197150 /nfs/dbraw/zinc/19/71/50/1055197150.db2.gz WVHJTDDLYFSAER-AZUAARDMSA-N 1 3 300.490 4.233 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246340624 1058850393 /nfs/dbraw/zinc/85/03/93/1058850393.db2.gz LIZKJKOMRPDQLA-YTQUADARSA-N 1 3 303.494 4.071 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796291 1059103018 /nfs/dbraw/zinc/10/30/18/1059103018.db2.gz PSIJNSFYAXRXAR-UXHICEINSA-N 1 3 300.490 4.376 20 30 DIEDHO C=CCC[C@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966280 1059212074 /nfs/dbraw/zinc/21/20/74/1059212074.db2.gz VXSOMIAKAGXTME-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966280 1059212087 /nfs/dbraw/zinc/21/20/87/1059212087.db2.gz VXSOMIAKAGXTME-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966280 1059212109 /nfs/dbraw/zinc/21/21/09/1059212109.db2.gz VXSOMIAKAGXTME-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO CCCCCCC[C@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001258049317 1063482872 /nfs/dbraw/zinc/48/28/72/1063482872.db2.gz FCVLJTZYBMZILD-AZUAARDMSA-N 1 3 324.553 4.311 20 30 DIEDHO C#CCCCN1CCCC2(C[NH+](C[C@@H](CC)CCCC)C2)C1 ZINC001279239336 1064337350 /nfs/dbraw/zinc/33/73/50/1064337350.db2.gz RIJSNLALQVNLKG-IBGZPJMESA-N 1 3 304.522 4.014 20 30 DIEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001308246802 1065853034 /nfs/dbraw/zinc/85/30/34/1065853034.db2.gz GCNZJFHWAZZIBT-VOTSOKGWSA-N 1 3 312.501 4.255 20 30 DIEDHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193995 338006493 /nfs/dbraw/zinc/00/64/93/338006493.db2.gz VHGCYUQOQOUSGR-ONGXBYRLSA-N 1 3 319.452 4.146 20 30 DIEDHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193994 338006555 /nfs/dbraw/zinc/00/65/55/338006555.db2.gz VHGCYUQOQOUSGR-JHVJFLLYSA-N 1 3 319.452 4.146 20 30 DIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181495395 519630985 /nfs/dbraw/zinc/63/09/85/519630985.db2.gz KHZHDRKWZUALCP-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181495395 519630988 /nfs/dbraw/zinc/63/09/88/519630988.db2.gz KHZHDRKWZUALCP-QGZVFWFLSA-N 1 3 321.468 4.249 20 30 DIEDHO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645504 1037046107 /nfs/dbraw/zinc/04/61/07/1037046107.db2.gz HVWKUCLUFCTNBC-QZTJIDSGSA-N 1 3 321.468 4.119 20 30 DIEDHO C=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998014 1041747440 /nfs/dbraw/zinc/74/74/40/1041747440.db2.gz UJXJUUJYMDHMGL-DENIHFKCSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998014 1041747447 /nfs/dbraw/zinc/74/74/47/1041747447.db2.gz UJXJUUJYMDHMGL-DENIHFKCSA-N 1 3 320.480 4.200 20 30 DIEDHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000278863238 1042108741 /nfs/dbraw/zinc/10/87/41/1042108741.db2.gz WMLZDXAWOXNSJT-FQEVSTJZSA-N 1 3 311.473 4.006 20 30 DIEDHO C=CCCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000665236610 1043293067 /nfs/dbraw/zinc/29/30/67/1043293067.db2.gz QRUARUULCLCXHY-HNNXBMFYSA-N 1 3 301.478 4.026 20 30 DIEDHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185712 1045232509 /nfs/dbraw/zinc/23/25/09/1045232509.db2.gz OOGPSMHBTARMMK-CVEARBPZSA-N 1 3 307.441 4.032 20 30 DIEDHO CCCCCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001201852977 1048382191 /nfs/dbraw/zinc/38/21/91/1048382191.db2.gz VQHKUCBQDGBBDY-UHFFFAOYSA-N 1 3 324.553 4.312 20 30 DIEDHO CCCCCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001201847346 1048389233 /nfs/dbraw/zinc/38/92/33/1048389233.db2.gz VFZREFIDOIBYJI-FQEVSTJZSA-N 1 3 324.553 4.312 20 30 DIEDHO CN(CCC1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213315 1049319493 /nfs/dbraw/zinc/31/94/93/1049319493.db2.gz VHVAKHFMDOVFBL-UHFFFAOYSA-N 1 3 313.489 4.044 20 30 DIEDHO C=CCCCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209428773 1050057999 /nfs/dbraw/zinc/05/79/99/1050057999.db2.gz MTXSWNCHKFUJQF-UHFFFAOYSA-N 1 3 312.501 4.331 20 30 DIEDHO C=CCCCCCCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349587 1054706334 /nfs/dbraw/zinc/70/63/34/1054706334.db2.gz RKAHKTVSYFJKLA-NHCUHLMSSA-N 1 3 312.501 4.202 20 30 DIEDHO CCCCCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275029 1055412511 /nfs/dbraw/zinc/41/25/11/1055412511.db2.gz JHMKYJZGCKMRSK-UHFFFAOYSA-N 1 3 300.490 4.094 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246796293 1059103285 /nfs/dbraw/zinc/10/32/85/1059103285.db2.gz PSIJNSFYAXRXAR-WOJBJXKFSA-N 1 3 300.490 4.376 20 30 DIEDHO CC[C@H]1CC(N2CCC(C#Cc3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246924952 1059181352 /nfs/dbraw/zinc/18/13/52/1059181352.db2.gz UWQJRYJDLVMONH-SFTDATJTSA-N 1 3 324.512 4.059 20 30 DIEDHO C=CCCCCCC[C@@H](O)CNC1CC[NH+](C(CC)CC)CC1 ZINC001253256479 1061861244 /nfs/dbraw/zinc/86/12/44/1061861244.db2.gz ZBAGDQONDFRFFD-HXUWFJFHSA-N 1 3 324.553 4.117 20 30 DIEDHO C=C1C[C@@H]2CC([NH+]3CCC(N4CCCCC4)CC3)C[C@H](C1)C2 ZINC001257890361 1063428563 /nfs/dbraw/zinc/42/85/63/1063428563.db2.gz VRYZNDZXQLIVHO-UFRUDQCGSA-N 1 3 302.506 4.072 20 30 DIEDHO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422992218 337693941 /nfs/dbraw/zinc/69/39/41/337693941.db2.gz CHEHQOJTJPJFRZ-OXJNMPFZSA-N 1 3 309.457 4.207 20 30 DIEDHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000516193996 338006517 /nfs/dbraw/zinc/00/65/17/338006517.db2.gz VHGCYUQOQOUSGR-RVHYNSKXSA-N 1 3 319.452 4.146 20 30 DIEDHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181419651 525440500 /nfs/dbraw/zinc/44/05/00/525440500.db2.gz NTJGCFADPUAAEV-KRWDZBQOSA-N 1 3 319.452 4.005 20 30 DIEDHO C=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998016 1041747325 /nfs/dbraw/zinc/74/73/25/1041747325.db2.gz UJXJUUJYMDHMGL-SIKLNZKXSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998016 1041747331 /nfs/dbraw/zinc/74/73/31/1041747331.db2.gz UJXJUUJYMDHMGL-SIKLNZKXSA-N 1 3 320.480 4.200 20 30 DIEDHO C[C@H](NCCC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519894 1045015784 /nfs/dbraw/zinc/01/57/84/1045015784.db2.gz UHYYMLGSCYRBQW-ROUUACIJSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@H](NCCC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519894 1045015796 /nfs/dbraw/zinc/01/57/96/1045015796.db2.gz UHYYMLGSCYRBQW-ROUUACIJSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@@H](NCCC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519892 1045016561 /nfs/dbraw/zinc/01/65/61/1045016561.db2.gz UHYYMLGSCYRBQW-MSOLQXFVSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@@H](NCCC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519892 1045016570 /nfs/dbraw/zinc/01/65/70/1045016570.db2.gz UHYYMLGSCYRBQW-MSOLQXFVSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@@H](NCCC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519893 1045016673 /nfs/dbraw/zinc/01/66/73/1045016673.db2.gz UHYYMLGSCYRBQW-QZTJIDSGSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@@H](NCCC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519893 1045016684 /nfs/dbraw/zinc/01/66/84/1045016684.db2.gz UHYYMLGSCYRBQW-QZTJIDSGSA-N 1 3 317.521 4.093 20 30 DIEDHO CC[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517962 1045135725 /nfs/dbraw/zinc/13/57/25/1045135725.db2.gz MIHYIVVXPIJHAF-OAQYLSRUSA-N 1 3 321.468 4.121 20 30 DIEDHO CC[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517962 1045135729 /nfs/dbraw/zinc/13/57/29/1045135729.db2.gz MIHYIVVXPIJHAF-OAQYLSRUSA-N 1 3 321.468 4.121 20 30 DIEDHO C[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000925185713 1045232268 /nfs/dbraw/zinc/23/22/68/1045232268.db2.gz OOGPSMHBTARMMK-HOTGVXAUSA-N 1 3 307.441 4.032 20 30 DIEDHO C=CCN(Cc1ccc(Cl)s1)CC1CC[NH+](CC)CC1 ZINC001205093495 1049372533 /nfs/dbraw/zinc/37/25/33/1049372533.db2.gz GPLFSIAKMOKPRK-UHFFFAOYSA-N 1 3 312.910 4.121 20 30 DIEDHO C#CC(CC)(CC)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962856 1051246101 /nfs/dbraw/zinc/24/61/01/1051246101.db2.gz FJLQYNZWQRQXQO-IBGZPJMESA-N 1 3 312.501 4.211 20 30 DIEDHO C#CC(CC)(CC)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962856 1051246114 /nfs/dbraw/zinc/24/61/14/1051246114.db2.gz FJLQYNZWQRQXQO-IBGZPJMESA-N 1 3 312.501 4.211 20 30 DIEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975617 1051757157 /nfs/dbraw/zinc/75/71/57/1051757157.db2.gz DFFLVPNQTPBBDZ-AWEZNQCLSA-N 1 3 322.880 4.040 20 30 DIEDHO CCCCCCCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377132 1054712215 /nfs/dbraw/zinc/71/22/15/1054712215.db2.gz AKCRUNYKMDNWMI-UXHICEINSA-N 1 3 300.490 4.036 20 30 DIEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246037707 1058655367 /nfs/dbraw/zinc/65/53/67/1058655367.db2.gz XDJYFHBKSDMBPS-IBGZPJMESA-N 1 3 324.553 4.096 20 30 DIEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246037707 1058655387 /nfs/dbraw/zinc/65/53/87/1058655387.db2.gz XDJYFHBKSDMBPS-IBGZPJMESA-N 1 3 324.553 4.096 20 30 DIEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246007638 1058656468 /nfs/dbraw/zinc/65/64/68/1058656468.db2.gz YEINHZZCNAWYKV-NMLBUPMWSA-N 1 3 324.553 4.141 20 30 DIEDHO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007638 1058656486 /nfs/dbraw/zinc/65/64/86/1058656486.db2.gz YEINHZZCNAWYKV-NMLBUPMWSA-N 1 3 324.553 4.141 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246340622 1058845965 /nfs/dbraw/zinc/84/59/65/1058845965.db2.gz LIZKJKOMRPDQLA-UHOSZYNNSA-N 1 3 303.494 4.071 20 30 DIEDHO CCCCCCCC[C@H](CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561293 1059008082 /nfs/dbraw/zinc/00/80/82/1059008082.db2.gz WCXBUPIAVLFFPU-HOTGVXAUSA-N 1 3 304.469 4.432 20 30 DIEDHO CCCC[C@@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922869 1059180171 /nfs/dbraw/zinc/18/01/71/1059180171.db2.gz MMVAAWUXTYAXJH-FGZHOGPDSA-N 1 3 324.512 4.061 20 30 DIEDHO C=CCC[C@@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966282 1059211180 /nfs/dbraw/zinc/21/11/80/1059211180.db2.gz VXSOMIAKAGXTME-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966282 1059211200 /nfs/dbraw/zinc/21/12/00/1059211200.db2.gz VXSOMIAKAGXTME-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966282 1059211218 /nfs/dbraw/zinc/21/12/18/1059211218.db2.gz VXSOMIAKAGXTME-MRXNPFEDSA-N 1 3 304.453 4.043 20 30 DIEDHO CC[C@@H](CC#N)N(Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162055 1062349003 /nfs/dbraw/zinc/34/90/03/1062349003.db2.gz GCJYDVPBEBWLQI-BZSNNMDCSA-N 1 3 319.880 4.104 20 30 DIEDHO CCCCCCC[C@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001258049318 1063481716 /nfs/dbraw/zinc/48/17/16/1063481716.db2.gz FCVLJTZYBMZILD-ICSRJNTNSA-N 1 3 324.553 4.311 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001279491188 1064354288 /nfs/dbraw/zinc/35/42/88/1064354288.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 1 3 302.506 4.097 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001279491188 1064354291 /nfs/dbraw/zinc/35/42/91/1064354291.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 1 3 302.506 4.097 20 30 DIEDHO C=CCCCCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209432608 1036176655 /nfs/dbraw/zinc/17/66/55/1036176655.db2.gz HMIFXAGZDYCOMN-UHFFFAOYSA-N 1 3 318.480 4.468 20 30 DIEDHO C=CCCCCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209432608 1036176668 /nfs/dbraw/zinc/17/66/68/1036176668.db2.gz HMIFXAGZDYCOMN-UHFFFAOYSA-N 1 3 318.480 4.468 20 30 DIEDHO C=C(CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205210 1040110901 /nfs/dbraw/zinc/11/09/01/1040110901.db2.gz CPXMTWMJWBHYII-SIKLNZKXSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205210 1040110914 /nfs/dbraw/zinc/11/09/14/1040110914.db2.gz CPXMTWMJWBHYII-SIKLNZKXSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310205210 1040110924 /nfs/dbraw/zinc/11/09/24/1040110924.db2.gz CPXMTWMJWBHYII-SIKLNZKXSA-N 1 3 320.480 4.200 20 30 DIEDHO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775411915 1048786836 /nfs/dbraw/zinc/78/68/36/1048786836.db2.gz YKUCXJCTTVBGOF-IAGOWNOFSA-N 1 3 316.489 4.296 20 30 DIEDHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000192938250 1049031684 /nfs/dbraw/zinc/03/16/84/1049031684.db2.gz SDFGTJNQOBGGOQ-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C#CC1(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979633 1051268119 /nfs/dbraw/zinc/26/81/19/1051268119.db2.gz POBPXBMPANEFQG-FQEVSTJZSA-N 1 3 324.512 4.355 20 30 DIEDHO C#CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979633 1051268125 /nfs/dbraw/zinc/26/81/25/1051268125.db2.gz POBPXBMPANEFQG-FQEVSTJZSA-N 1 3 324.512 4.355 20 30 DIEDHO CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172351820 1051367806 /nfs/dbraw/zinc/36/78/06/1051367806.db2.gz VXBWKSBUYQGKPS-VAMGGRTRSA-N 1 3 324.553 4.359 20 30 DIEDHO CCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172351819 1051368361 /nfs/dbraw/zinc/36/83/61/1051368361.db2.gz VXBWKSBUYQGKPS-UFYCRDLUSA-N 1 3 324.553 4.359 20 30 DIEDHO CCN(Cc1ccccc1)C1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172507446 1051424035 /nfs/dbraw/zinc/42/40/35/1051424035.db2.gz URDGMRZXGSIMPP-GOSISDBHSA-N 1 3 313.489 4.055 20 30 DIEDHO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000153039872 1053571204 /nfs/dbraw/zinc/57/12/04/1053571204.db2.gz MLXAKCVWDKZUSA-AWEZNQCLSA-N 1 3 312.910 4.483 20 30 DIEDHO CCCCCCCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348122 1054706056 /nfs/dbraw/zinc/70/60/56/1054706056.db2.gz AKCRUNYKMDNWMI-WOJBJXKFSA-N 1 3 300.490 4.036 20 30 DIEDHO CCCCCCCC[C@@H](O)CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246014334 1058655196 /nfs/dbraw/zinc/65/51/96/1058655196.db2.gz LFUVVZJEHARDTQ-RTBURBONSA-N 1 3 324.553 4.142 20 30 DIEDHO CC[C@@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312186 1058819439 /nfs/dbraw/zinc/81/94/39/1058819439.db2.gz BEHDSCWVNSEPTI-HBMCJLEFSA-N 1 3 319.452 4.092 20 30 DIEDHO CCCCCCCCC[C@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553694 1058998664 /nfs/dbraw/zinc/99/86/64/1058998664.db2.gz BVCSBEBJBDGPKQ-JKSUJKDBSA-N 1 3 304.469 4.432 20 30 DIEDHO CCCCCCC[C@@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658756 1059057228 /nfs/dbraw/zinc/05/72/28/1059057228.db2.gz VVQXQAPLHGKCNX-XHSDSOJGSA-N 1 3 320.443 4.209 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246794952 1059098345 /nfs/dbraw/zinc/09/83/45/1059098345.db2.gz LHGYXTKKISELTQ-RTBURBONSA-N 1 3 300.490 4.374 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246794949 1059098887 /nfs/dbraw/zinc/09/88/87/1059098887.db2.gz LHGYXTKKISELTQ-PMOLBWCYSA-N 1 3 300.490 4.374 20 30 DIEDHO C=CCCCCCC[C@H](O)CN(C)C1CC[NH+](CCCC)CC1 ZINC001253242567 1061842811 /nfs/dbraw/zinc/84/28/11/1061842811.db2.gz NGUGPJOARNQPNO-FQEVSTJZSA-N 1 3 324.553 4.070 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572482 1062894435 /nfs/dbraw/zinc/89/44/35/1062894435.db2.gz SXUSKXUBEONFOU-UHFFFAOYSA-N 1 3 300.490 4.328 20 30 DIEDHO C=C1C[C@@H]2CC([NH2+]C3CCN(CC4CCCC4)CC3)C[C@H](C1)C2 ZINC001257890594 1063428535 /nfs/dbraw/zinc/42/85/35/1063428535.db2.gz QOXFNJHKSFZMPX-PMSBKCLSSA-N 1 3 316.533 4.366 20 30 DIEDHO CCCCCCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258040701 1063472731 /nfs/dbraw/zinc/47/27/31/1063472731.db2.gz GXJVUSBRBULLOC-GOSISDBHSA-N 1 3 324.553 4.216 20 30 DIEDHO CCCCCCC[C@@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001258049320 1063482181 /nfs/dbraw/zinc/48/21/81/1063482181.db2.gz FCVLJTZYBMZILD-UYAOXDASSA-N 1 3 324.553 4.311 20 30 DIEDHO C=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258722385 1063777317 /nfs/dbraw/zinc/77/73/17/1063777317.db2.gz HODBQWNWUQEINB-INIZCTEOSA-N 1 3 320.908 4.496 20 30 DIEDHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029600 337696439 /nfs/dbraw/zinc/69/64/39/337696439.db2.gz IPCBFTQXHIGDNE-ARFHVFGLSA-N 1 3 307.441 4.002 20 30 DIEDHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029602 337696451 /nfs/dbraw/zinc/69/64/51/337696451.db2.gz IPCBFTQXHIGDNE-JYJNAYRXSA-N 1 3 307.441 4.002 20 30 DIEDHO C=CCC[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000120728666 337878403 /nfs/dbraw/zinc/87/84/03/337878403.db2.gz QTOWDGGJSJOHJG-IBGZPJMESA-N 1 3 318.530 4.295 20 30 DIEDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650035 340370947 /nfs/dbraw/zinc/37/09/47/340370947.db2.gz WNRAZXWDGHUDAX-HZPDHXFCSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512650035 340370948 /nfs/dbraw/zinc/37/09/48/340370948.db2.gz WNRAZXWDGHUDAX-HZPDHXFCSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000379645502 1037044142 /nfs/dbraw/zinc/04/41/42/1037044142.db2.gz HVWKUCLUFCTNBC-MSOLQXFVSA-N 1 3 321.468 4.119 20 30 DIEDHO C=C(CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205208 1040111009 /nfs/dbraw/zinc/11/10/09/1040111009.db2.gz CPXMTWMJWBHYII-KNQAVFIVSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310205208 1040111017 /nfs/dbraw/zinc/11/10/17/1040111017.db2.gz CPXMTWMJWBHYII-KNQAVFIVSA-N 1 3 320.480 4.200 20 30 DIEDHO C=C(C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310205208 1040111028 /nfs/dbraw/zinc/11/10/28/1040111028.db2.gz CPXMTWMJWBHYII-KNQAVFIVSA-N 1 3 320.480 4.200 20 30 DIEDHO C#CC(CC)(CC)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004897 1043238720 /nfs/dbraw/zinc/23/87/20/1043238720.db2.gz BLJRNRDCCPZMTI-OPVJXMOQSA-N 1 3 312.501 4.210 20 30 DIEDHO C#CC(CC)(CC)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004897 1043238726 /nfs/dbraw/zinc/23/87/26/1043238726.db2.gz BLJRNRDCCPZMTI-OPVJXMOQSA-N 1 3 312.501 4.210 20 30 DIEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000192941513 1049047527 /nfs/dbraw/zinc/04/75/27/1049047527.db2.gz HISMHXCILCBEJB-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCCCCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595821 1052515772 /nfs/dbraw/zinc/51/57/72/1052515772.db2.gz JVFDNXLBMRRSFD-FQEVSTJZSA-N 1 3 312.501 4.202 20 30 DIEDHO C=CCCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452314 1055122812 /nfs/dbraw/zinc/12/28/12/1055122812.db2.gz CRJXSYVVIINXPK-UHFFFAOYSA-N 1 3 306.881 4.250 20 30 DIEDHO C=CCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236452314 1055122819 /nfs/dbraw/zinc/12/28/19/1055122819.db2.gz CRJXSYVVIINXPK-UHFFFAOYSA-N 1 3 306.881 4.250 20 30 DIEDHO C=CCCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236452314 1055122828 /nfs/dbraw/zinc/12/28/28/1055122828.db2.gz CRJXSYVVIINXPK-UHFFFAOYSA-N 1 3 306.881 4.250 20 30 DIEDHO CCCCCCCCC[C@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246385886 1058893067 /nfs/dbraw/zinc/89/30/67/1058893067.db2.gz FYKLKBJVQIBDAX-SFHVURJKSA-N 1 3 312.542 4.264 20 30 DIEDHO CCCCCCCC[C@@H](CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561297 1059002284 /nfs/dbraw/zinc/00/22/84/1059002284.db2.gz WCXBUPIAVLFFPU-JKSUJKDBSA-N 1 3 304.469 4.432 20 30 DIEDHO CC[C@@H]1CC(N2CCC(C#Cc3ccccc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246924948 1059180212 /nfs/dbraw/zinc/18/02/12/1059180212.db2.gz UWQJRYJDLVMONH-NHCUHLMSSA-N 1 3 324.512 4.059 20 30 DIEDHO C=CCC[C@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246962910 1059206140 /nfs/dbraw/zinc/20/61/40/1059206140.db2.gz WIJICXZZVAHOER-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO C=CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246962910 1059206160 /nfs/dbraw/zinc/20/61/60/1059206160.db2.gz WIJICXZZVAHOER-INIZCTEOSA-N 1 3 304.453 4.043 20 30 DIEDHO CCCCCCCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC001473690057 1061348686 /nfs/dbraw/zinc/34/86/86/1061348686.db2.gz XBLVOIZKLFPIBQ-UHFFFAOYSA-N 1 3 324.553 4.314 20 30 DIEDHO CCCCCCCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC001473690057 1061348708 /nfs/dbraw/zinc/34/87/08/1061348708.db2.gz XBLVOIZKLFPIBQ-UHFFFAOYSA-N 1 3 324.553 4.314 20 30 DIEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000074335597 331671118 /nfs/dbraw/zinc/67/11/18/331671118.db2.gz JQMBLZNGBOLNPA-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CCCC#N)c1ccccc1 ZINC000423122001 337700474 /nfs/dbraw/zinc/70/04/74/337700474.db2.gz BSJHBDSVFAEHLB-MISYRCLQSA-N 1 3 313.489 4.322 20 30 DIEDHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173954639 1043058033 /nfs/dbraw/zinc/05/80/33/1043058033.db2.gz JUKSGKURGNLQNF-KRWDZBQOSA-N 1 3 321.468 4.251 20 30 DIEDHO C#CC[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635283 1043440494 /nfs/dbraw/zinc/44/04/94/1043440494.db2.gz PQUBMOUTRAOHTJ-UWJYYQICSA-N 1 3 306.453 4.163 20 30 DIEDHO C#CC[C@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925635282 1043441198 /nfs/dbraw/zinc/44/11/98/1043441198.db2.gz PQUBMOUTRAOHTJ-UTKZUKDTSA-N 1 3 306.453 4.163 20 30 DIEDHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792532 1046072901 /nfs/dbraw/zinc/07/29/01/1046072901.db2.gz BLYAOILSVMZDIN-OAQYLSRUSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792532 1046072918 /nfs/dbraw/zinc/07/29/18/1046072918.db2.gz BLYAOILSVMZDIN-OAQYLSRUSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000775409543 1048782911 /nfs/dbraw/zinc/78/29/11/1048782911.db2.gz NVBHHEHCMAQONJ-HZPDHXFCSA-N 1 3 304.478 4.152 20 30 DIEDHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000192941530 1049046800 /nfs/dbraw/zinc/04/68/00/1049046800.db2.gz HISMHXCILCBEJB-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCCCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001209438996 1050059602 /nfs/dbraw/zinc/05/96/02/1050059602.db2.gz FDWNEDXBBXERBZ-FQEVSTJZSA-N 1 3 322.537 4.088 20 30 DIEDHO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccccc3)cc2)CC1 ZINC000592291161 1050287503 /nfs/dbraw/zinc/28/75/03/1050287503.db2.gz QWUOPHOKOBIJHC-UHFFFAOYSA-N 1 3 320.480 4.484 20 30 DIEDHO C=CCCCCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595822 1052515941 /nfs/dbraw/zinc/51/59/41/1052515941.db2.gz JVFDNXLBMRRSFD-HXUWFJFHSA-N 1 3 312.501 4.202 20 30 DIEDHO CCCCCCC[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236439004 1055113325 /nfs/dbraw/zinc/11/33/25/1055113325.db2.gz DBYRZZIOPLHKEU-UHFFFAOYSA-N 1 3 318.505 4.220 20 30 DIEDHO CCCCCCC[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236439004 1055113328 /nfs/dbraw/zinc/11/33/28/1055113328.db2.gz DBYRZZIOPLHKEU-UHFFFAOYSA-N 1 3 318.505 4.220 20 30 DIEDHO CCCCCCCN(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236439004 1055113334 /nfs/dbraw/zinc/11/33/34/1055113334.db2.gz DBYRZZIOPLHKEU-UHFFFAOYSA-N 1 3 318.505 4.220 20 30 DIEDHO C=CCCCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509420 1055152480 /nfs/dbraw/zinc/15/24/80/1055152480.db2.gz LOGPFZHESCYSSM-UHFFFAOYSA-N 1 3 318.480 4.435 20 30 DIEDHO C=CCCCCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274422 1055413382 /nfs/dbraw/zinc/41/33/82/1055413382.db2.gz CFFKXKHYDGWKNA-UHFFFAOYSA-N 1 3 312.501 4.260 20 30 DIEDHO C=CCCCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278269373 1055728679 /nfs/dbraw/zinc/72/86/79/1055728679.db2.gz DRHXUXIIQUEEJQ-UHFFFAOYSA-N 1 3 318.427 4.083 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246340623 1058849532 /nfs/dbraw/zinc/84/95/32/1058849532.db2.gz LIZKJKOMRPDQLA-WDSOQIARSA-N 1 3 303.494 4.071 20 30 DIEDHO CCCCCCCCC[C@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553691 1059000407 /nfs/dbraw/zinc/00/04/07/1059000407.db2.gz BVCSBEBJBDGPKQ-HOTGVXAUSA-N 1 3 304.469 4.432 20 30 DIEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246796290 1059102730 /nfs/dbraw/zinc/10/27/30/1059102730.db2.gz PSIJNSFYAXRXAR-PMACEKPBSA-N 1 3 300.490 4.376 20 30 DIEDHO CCCC[C@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922871 1059181449 /nfs/dbraw/zinc/18/14/49/1059181449.db2.gz MMVAAWUXTYAXJH-VXKWHMMOSA-N 1 3 324.512 4.061 20 30 DIEDHO C=CCC[C@@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945312 1059191544 /nfs/dbraw/zinc/19/15/44/1059191544.db2.gz GNCPYVLGAAHNAE-OAHLLOKOSA-N 1 3 306.881 4.249 20 30 DIEDHO C=CCC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945312 1059191550 /nfs/dbraw/zinc/19/15/50/1059191550.db2.gz GNCPYVLGAAHNAE-OAHLLOKOSA-N 1 3 306.881 4.249 20 30 DIEDHO C#CCCCCCC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001560069679 1059882167 /nfs/dbraw/zinc/88/21/67/1059882167.db2.gz YICPEEWNFKQAIE-HXUWFJFHSA-N 1 3 304.522 4.157 20 30 DIEDHO C#CCCCCCC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001560069679 1059882195 /nfs/dbraw/zinc/88/21/95/1059882195.db2.gz YICPEEWNFKQAIE-HXUWFJFHSA-N 1 3 304.522 4.157 20 30 DIEDHO CCCCCCCC[C@@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC001252138936 1061598618 /nfs/dbraw/zinc/59/86/18/1061598618.db2.gz GFGSFPLBAXRJTF-HXUWFJFHSA-N 1 3 324.553 4.095 20 30 DIEDHO CCCCCCCC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252138936 1061598637 /nfs/dbraw/zinc/59/86/37/1061598637.db2.gz GFGSFPLBAXRJTF-HXUWFJFHSA-N 1 3 324.553 4.095 20 30 DIEDHO C=CCC[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513997 332348560 /nfs/dbraw/zinc/34/85/60/332348560.db2.gz ATLVUIXRODPQGU-MSOLQXFVSA-N 1 3 304.478 4.389 20 30 DIEDHO C=CCC[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513997 332348562 /nfs/dbraw/zinc/34/85/62/332348562.db2.gz ATLVUIXRODPQGU-MSOLQXFVSA-N 1 3 304.478 4.389 20 30 DIEDHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000423294996 337710757 /nfs/dbraw/zinc/71/07/57/337710757.db2.gz WANSZHXYLONPDN-VFNWGFHPSA-N 1 3 319.452 4.135 20 30 DIEDHO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645507 1037045272 /nfs/dbraw/zinc/04/52/72/1037045272.db2.gz HVWKUCLUFCTNBC-ROUUACIJSA-N 1 3 321.468 4.119 20 30 DIEDHO C=CCC[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000747867119 1041726207 /nfs/dbraw/zinc/72/62/07/1041726207.db2.gz OPIXPZZFPPMVQU-FQEVSTJZSA-N 1 3 304.522 4.366 20 30 DIEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CCCC#N)c1ccccc1 ZINC000423122000 1042697787 /nfs/dbraw/zinc/69/77/87/1042697787.db2.gz BSJHBDSVFAEHLB-HOJAQTOUSA-N 1 3 313.489 4.322 20 30 DIEDHO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924787431 1045198871 /nfs/dbraw/zinc/19/88/71/1045198871.db2.gz XEPXQVBVYYUFEC-JKSUJKDBSA-N 1 3 307.441 4.032 20 30 DIEDHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792531 1046072233 /nfs/dbraw/zinc/07/22/33/1046072233.db2.gz BLYAOILSVMZDIN-NRFANRHFSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccc(C#N)c1 ZINC000902792531 1046072248 /nfs/dbraw/zinc/07/22/48/1046072248.db2.gz BLYAOILSVMZDIN-NRFANRHFSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833409 1046081675 /nfs/dbraw/zinc/08/16/75/1046081675.db2.gz ZCJNQOKLNFVVAY-FQEVSTJZSA-N 1 3 311.473 4.006 20 30 DIEDHO CCCCCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001201847352 1048389974 /nfs/dbraw/zinc/38/99/74/1048389974.db2.gz VFZREFIDOIBYJI-HXUWFJFHSA-N 1 3 324.553 4.312 20 30 DIEDHO CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171624298 1051180065 /nfs/dbraw/zinc/18/00/65/1051180065.db2.gz OMRIKYNWUDXJKF-GOSISDBHSA-N 1 3 313.489 4.250 20 30 DIEDHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312189 1058819037 /nfs/dbraw/zinc/81/90/37/1058819037.db2.gz BEHDSCWVNSEPTI-PWRODBHTSA-N 1 3 319.452 4.092 20 30 DIEDHO CCCCCCCCCC[C@H](C)N[C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246334781 1058841071 /nfs/dbraw/zinc/84/10/71/1058841071.db2.gz RMSXQUWBFOMSEI-OTWHNJEPSA-N 1 3 310.526 4.016 20 30 DIEDHO CCCCCCCCCC[C@@H](C)N[C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246334782 1058842904 /nfs/dbraw/zinc/84/29/04/1058842904.db2.gz RMSXQUWBFOMSEI-QRVBRYPASA-N 1 3 310.526 4.016 20 30 DIEDHO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246338233 1058850276 /nfs/dbraw/zinc/85/02/76/1058850276.db2.gz DKISRMKAMLFSBB-AABGKKOBSA-N 1 3 317.521 4.461 20 30 DIEDHO CCCCCCCCC[C@@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246385884 1058893918 /nfs/dbraw/zinc/89/39/18/1058893918.db2.gz FYKLKBJVQIBDAX-GOSISDBHSA-N 1 3 312.542 4.264 20 30 DIEDHO CCCCCCC[C@@H](C)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246423094 1058920038 /nfs/dbraw/zinc/92/00/38/1058920038.db2.gz XWJMFGOTINZMHG-GOSISDBHSA-N 1 3 317.521 4.085 20 30 DIEDHO CCCCCCCCC[C@@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553688 1059000467 /nfs/dbraw/zinc/00/04/67/1059000467.db2.gz BVCSBEBJBDGPKQ-CVEARBPZSA-N 1 3 304.469 4.432 20 30 DIEDHO CCCC[C@@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246922873 1059181020 /nfs/dbraw/zinc/18/10/20/1059181020.db2.gz MMVAAWUXTYAXJH-YADHBBJMSA-N 1 3 324.512 4.061 20 30 DIEDHO CCCCCCCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473760173 1061394736 /nfs/dbraw/zinc/39/47/36/1061394736.db2.gz YBILSIZQRHKSNS-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001473760173 1061394756 /nfs/dbraw/zinc/39/47/56/1061394756.db2.gz YBILSIZQRHKSNS-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO CCCCCCCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001473760173 1061394772 /nfs/dbraw/zinc/39/47/72/1061394772.db2.gz YBILSIZQRHKSNS-SFHVURJKSA-N 1 3 303.494 4.343 20 30 DIEDHO C=CCCN(Cc1ccccc1)C1CC[NH+](CC(C)C)CC1 ZINC001258014232 1063464342 /nfs/dbraw/zinc/46/43/42/1063464342.db2.gz GGNCCSMLKQHKFJ-UHFFFAOYSA-N 1 3 300.490 4.185 20 30 DIEDHO C#CCCCN1CCCC2(C[NH+](C[C@H](CC)CCCC)C2)C1 ZINC001279239337 1064337303 /nfs/dbraw/zinc/33/73/03/1064337303.db2.gz RIJSNLALQVNLKG-LJQANCHMSA-N 1 3 304.522 4.014 20 30 DIEDHO CCCC[N@H+](C)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188190984 333357743 /nfs/dbraw/zinc/35/77/43/333357743.db2.gz GJIHYHGBPCMGFS-QGZVFWFLSA-N 1 3 313.489 4.063 20 30 DIEDHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188190984 333357745 /nfs/dbraw/zinc/35/77/45/333357745.db2.gz GJIHYHGBPCMGFS-QGZVFWFLSA-N 1 3 313.489 4.063 20 30 DIEDHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710294 334100086 /nfs/dbraw/zinc/10/00/86/334100086.db2.gz LNJGRYOKPPZGIZ-NRFANRHFSA-N 1 3 321.468 4.251 20 30 DIEDHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc(C#N)cc1 ZINC000278710294 334100088 /nfs/dbraw/zinc/10/00/88/334100088.db2.gz LNJGRYOKPPZGIZ-NRFANRHFSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459458757 339030256 /nfs/dbraw/zinc/03/02/56/339030256.db2.gz YXDKIFAJKGFHRS-OAQYLSRUSA-N 1 3 321.468 4.348 20 30 DIEDHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650034 340371000 /nfs/dbraw/zinc/37/10/00/340371000.db2.gz WNRAZXWDGHUDAX-HOTGVXAUSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512650034 340371001 /nfs/dbraw/zinc/37/10/01/340371001.db2.gz WNRAZXWDGHUDAX-HOTGVXAUSA-N 1 3 317.452 4.003 20 30 DIEDHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512671660 340372404 /nfs/dbraw/zinc/37/24/04/340372404.db2.gz GQRWEKQYMSYXNI-INIZCTEOSA-N 1 3 317.452 4.004 20 30 DIEDHO C=CC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000541913727 1039760510 /nfs/dbraw/zinc/76/05/10/1039760510.db2.gz WHYHGJDNSGYNAJ-SFHVURJKSA-N 1 3 324.871 4.416 20 30 DIEDHO CC[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517961 1045135208 /nfs/dbraw/zinc/13/52/08/1045135208.db2.gz MIHYIVVXPIJHAF-NRFANRHFSA-N 1 3 321.468 4.121 20 30 DIEDHO CC[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517961 1045135214 /nfs/dbraw/zinc/13/52/14/1045135214.db2.gz MIHYIVVXPIJHAF-NRFANRHFSA-N 1 3 321.468 4.121 20 30 DIEDHO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000925185717 1045232111 /nfs/dbraw/zinc/23/21/11/1045232111.db2.gz OOGPSMHBTARMMK-JKSUJKDBSA-N 1 3 307.441 4.032 20 30 DIEDHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000192947178 1049429451 /nfs/dbraw/zinc/42/94/51/1049429451.db2.gz ZNEFQAZFOYRKJP-QGZVFWFLSA-N 1 3 321.468 4.251 20 30 DIEDHO C=CCCC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001181410811 1049469995 /nfs/dbraw/zinc/46/99/95/1049469995.db2.gz QGWQQHSODHYMSY-NRFANRHFSA-N 1 3 314.517 4.481 20 30 DIEDHO C=CCCCN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209164273 1050041001 /nfs/dbraw/zinc/04/10/01/1050041001.db2.gz VYUBIRLHZQRKQA-UHFFFAOYSA-N 1 3 306.881 4.202 20 30 DIEDHO C=CCCCN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209164273 1050041005 /nfs/dbraw/zinc/04/10/05/1050041005.db2.gz VYUBIRLHZQRKQA-UHFFFAOYSA-N 1 3 306.881 4.202 20 30 DIEDHO C=CCCCCN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209206779 1050044755 /nfs/dbraw/zinc/04/47/55/1050044755.db2.gz ALXAEQHVXDYWLZ-UHFFFAOYSA-N 1 3 304.453 4.078 20 30 DIEDHO C=CCCCCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209206779 1050044761 /nfs/dbraw/zinc/04/47/61/1050044761.db2.gz ALXAEQHVXDYWLZ-UHFFFAOYSA-N 1 3 304.453 4.078 20 30 DIEDHO N#CCC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001173333488 1051697789 /nfs/dbraw/zinc/69/77/89/1051697789.db2.gz JBYANKMFLJBWBI-UHFFFAOYSA-N 1 3 317.521 4.093 20 30 DIEDHO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001334049757 1054180598 /nfs/dbraw/zinc/18/05/98/1054180598.db2.gz SQDGEJFHMKMSKI-MSOLQXFVSA-N 1 3 317.521 4.093 20 30 DIEDHO CCCCCCC[C@@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246396785 1058901180 /nfs/dbraw/zinc/90/11/80/1058901180.db2.gz YWKKJVOMXKCEIY-GOSISDBHSA-N 1 3 312.542 4.264 20 30 DIEDHO CCCCCCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258040702 1063472357 /nfs/dbraw/zinc/47/23/57/1063472357.db2.gz GXJVUSBRBULLOC-SFHVURJKSA-N 1 3 324.553 4.216 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001279491189 1064353018 /nfs/dbraw/zinc/35/30/18/1064353018.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 1 3 302.506 4.097 20 30 DIEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001279491189 1064353024 /nfs/dbraw/zinc/35/30/24/1064353024.db2.gz WBWYBNNDYAMBPB-WOJBJXKFSA-N 1 3 302.506 4.097 20 30 DIEDHO