smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCCC[C@@H]1CC[C@H](CCCCC=C)[NH2+]1 ZINC000005157697 170071899 /nfs/dbraw/zinc/07/18/99/170071899.db2.gz YCQNSAJAZIVRFR-RBUKOAKNSA-N 1 0 277.496 5.770 10 30 in-vivo CKEERO C=CCCCCCCC[C@@H]1CC[C@@H](CCCCC=C)[NH2+]1 ZINC000005157699 170071951 /nfs/dbraw/zinc/07/19/51/170071951.db2.gz YCQNSAJAZIVRFR-RTBURBONSA-N 1 0 277.496 5.770 10 30 in-vivo CKEERO C=CCCCCCCC[C@H]1CC[C@H](CCCCC=C)[NH2+]1 ZINC000005157703 170071950 /nfs/dbraw/zinc/07/19/50/170071950.db2.gz YCQNSAJAZIVRFR-OALUTQOASA-N 1 0 277.496 5.770 10 30 in-vivo CKEERO C=CCCCCCCC[C@H]1CC[C@@H](CCCCC=C)[NH2+]1 ZINC000005157705 170071876 /nfs/dbraw/zinc/07/18/76/170071876.db2.gz YCQNSAJAZIVRFR-MOPGFXCFSA-N 1 0 277.496 5.770 10 30 in-vivo CKEERO N#Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005162766 170072574 /nfs/dbraw/zinc/07/25/74/170072574.db2.gz XZMCHEMFDIMFEK-UHFFFAOYSA-N 1 0 295.345 5.003 10 30 CKEERO C/[S+]=c1\cc(-c2ccccc2)cc(-c2ccccc2)s1 ZINC000005362223 170089758 /nfs/dbraw/zinc/08/97/58/170089758.db2.gz BNLOVVXMBRXPBP-UHFFFAOYSA-N 1 0 295.452 5.326 10 30 CKEERO C=CC[N+]1(CC[C@H](C)CCCC(C)C)CCCCC1 ZINC000005758727 560202870 /nfs/dbraw/zinc/20/28/70/560202870.db2.gz NTHCPJMKRGXODE-GOSISDBHSA-N 1 0 266.493 5.026 10 30 in-vitro CKEERO C=CC[N+]1(CC[C@@H](C)CCCC(C)C)CCCCC1 ZINC000005759016 560202941 /nfs/dbraw/zinc/20/29/41/560202941.db2.gz NTHCPJMKRGXODE-SFHVURJKSA-N 1 0 266.493 5.026 10 30 in-vitro CKEERO CCCCCCCCCCCC[N+](CC)(CC)CC ZINC000014096295 170618454 /nfs/dbraw/zinc/61/84/54/170618454.db2.gz DGJUONISEWDPFO-UHFFFAOYSA-N 1 0 270.525 5.784 10 30 CKEERO C=CCCCCCCCCC[N+](CC)(CC)CC ZINC000035789288 717124992 /nfs/dbraw/zinc/12/49/92/717124992.db2.gz ATRILJGRJFCHCX-UHFFFAOYSA-N 1 0 254.482 5.170 10 30 CKEERO CCCCCCCCCCCCCC[N+](CC)(CC)CC ZINC000036177033 717125246 /nfs/dbraw/zinc/12/52/46/717125246.db2.gz JXCCIZBMTUFJKN-UHFFFAOYSA-N 1 0 298.579 6.564 10 30 CKEERO CCCCCCCCCCCC[N+](C)(C)CCC ZINC000038158022 174135185 /nfs/dbraw/zinc/13/51/85/174135185.db2.gz LRIYPNLMJBRPKS-UHFFFAOYSA-N 1 0 256.498 5.394 10 30 CKEERO CCCCCCCCCCCC[N+]1(C)CCCC1 ZINC000038158028 717125627 /nfs/dbraw/zinc/12/56/27/717125627.db2.gz ULSWKIJRQWZPCQ-UHFFFAOYSA-N 1 0 254.482 5.148 10 30 CKEERO CCCCCCCCCCCCCCC[NH+](C)C ZINC000043524406 175062006 /nfs/dbraw/zinc/06/20/06/175062006.db2.gz SNHHYQWNNZIBLN-UHFFFAOYSA-N 1 0 255.490 5.639 10 30 CKEERO CCCCCCCCCCCCCCCCC[NH+](C)C ZINC000043532361 175062521 /nfs/dbraw/zinc/06/25/21/175062521.db2.gz WCVHUIPWSPEOIG-UHFFFAOYSA-N 1 0 283.544 6.419 10 30 CKEERO CCCCCCC/C=C/C[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC000044324271 175163178 /nfs/dbraw/zinc/16/31/78/175163178.db2.gz KUOHEKAUFRUGAR-CWDJHMJFSA-N 1 0 263.469 5.310 10 30 CKEERO CCCCCCCCCCCCSC[N+](C)(C)C ZINC000059077936 717131079 /nfs/dbraw/zinc/13/10/79/717131079.db2.gz FLUZBFUYIZUYKE-UHFFFAOYSA-N 1 0 274.538 5.304 10 30 CKEERO CCCCCCC[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000059090236 520067730 /nfs/dbraw/zinc/06/77/30/520067730.db2.gz SHMFLRYGEVPNOS-IRXDYDNUSA-N 1 0 255.490 5.540 10 30 CKEERO CCCCCCC[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000059090237 520066701 /nfs/dbraw/zinc/06/67/01/520066701.db2.gz SHMFLRYGEVPNOS-IAGOWNOFSA-N 1 0 255.490 5.540 10 30 CKEERO CCCCCCC[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000059090238 520068534 /nfs/dbraw/zinc/06/85/34/520068534.db2.gz SHMFLRYGEVPNOS-DLBZAZTESA-N 1 0 255.490 5.540 10 30 CKEERO CCCCCCC[C@@H]([NH3+])c1csc2ccccc21 ZINC000059098557 520065845 /nfs/dbraw/zinc/06/58/45/520065845.db2.gz QSQNGACKMHDDCZ-OAHLLOKOSA-N 1 0 261.434 5.262 10 30 CKEERO CCCCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000059133297 520059960 /nfs/dbraw/zinc/05/99/60/520059960.db2.gz OSDYEYSVXNNMBP-HOTGVXAUSA-N 1 0 253.474 5.151 10 30 CKEERO CCCCCCCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000059134392 520037509 /nfs/dbraw/zinc/03/75/09/520037509.db2.gz CEAYCKJLIAJTOU-GOSISDBHSA-N 1 0 261.453 5.396 10 30 CKEERO CCCCCCC[N+](CCCC)(CCCC)CCCC ZINC000059171120 717130857 /nfs/dbraw/zinc/13/08/57/717130857.db2.gz AQQOUVLRCMEMHI-UHFFFAOYSA-N 1 0 284.552 6.174 10 30 CKEERO CCCCCCCCCCCC[N+](C)(C)c1ccccc1 ZINC000059256831 717131406 /nfs/dbraw/zinc/13/14/06/717131406.db2.gz FYDMYUBGTZHJME-UHFFFAOYSA-N 1 0 290.515 6.174 10 30 CKEERO CCCCCCC[C@H]([NH2+]C)c1csc2ccccc12 ZINC000059284045 520068858 /nfs/dbraw/zinc/06/88/58/520068858.db2.gz ZVCOECODFSLHSH-INIZCTEOSA-N 1 0 275.461 5.522 10 30 CKEERO CCCCCCC[C@H]([NH2+]CC)c1ccc(Cl)cc1 ZINC000059284948 520067468 /nfs/dbraw/zinc/06/74/68/520067468.db2.gz SZGKZHRWQLCJBX-INIZCTEOSA-N 1 0 267.844 5.351 10 30 CKEERO CCCCCCC[C@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000059290943 520067941 /nfs/dbraw/zinc/06/79/41/520067941.db2.gz ZYRFXUXOZKBSNP-SFHVURJKSA-N 1 0 261.453 5.260 10 30 CKEERO CCCCCCC[C@H]([NH2+]CCC)c1ccc(C)s1 ZINC000059291302 520068643 /nfs/dbraw/zinc/06/86/43/520068643.db2.gz HZRIXBYHKJNBFC-HNNXBMFYSA-N 1 0 267.482 5.458 10 30 CKEERO CCCCCCC[C@@H]([NH2+]CCC)c1ccc(CC)s1 ZINC000059291309 520065771 /nfs/dbraw/zinc/06/57/71/520065771.db2.gz RGULMROYZLOOSO-MRXNPFEDSA-N 1 0 281.509 5.712 10 30 CKEERO CCCCCCC[C@@H]([NH2+]CCC)c1ccc(C)cc1 ZINC000059292616 520065339 /nfs/dbraw/zinc/06/53/39/520065339.db2.gz XBAXWGKPTCGARM-GOSISDBHSA-N 1 0 261.453 5.396 10 30 CKEERO CCCCCCCCCC[N+](C)(C)CCCCCCCC ZINC000060195421 717131984 /nfs/dbraw/zinc/13/19/84/717131984.db2.gz JVCWUSHFUPUBHQ-UHFFFAOYSA-N 1 0 298.579 6.564 10 30 CKEERO CCCCO[C@@]1(CCC)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791720 176263459 /nfs/dbraw/zinc/26/34/59/176263459.db2.gz ZFCZCFVGTWRJSD-HKRCYGBASA-N 1 0 297.442 5.305 10 30 CKEERO CCCCO[C@]1(CCC)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791721 176263451 /nfs/dbraw/zinc/26/34/51/176263451.db2.gz ZFCZCFVGTWRJSD-VBIUYMIYSA-N 1 0 297.442 5.305 10 30 CKEERO CCCC[C@@]1(C)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791767 176263314 /nfs/dbraw/zinc/26/33/14/176263314.db2.gz POAGXNSIHJGYCN-CMAIMYMYSA-N 1 0 253.389 5.146 10 30 CKEERO CCCC[C@]1(C)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791768 176263198 /nfs/dbraw/zinc/26/31/98/176263198.db2.gz POAGXNSIHJGYCN-AQRXXJNJSA-N 1 0 253.389 5.146 10 30 CKEERO Cc1ccccc1[S@@+](/C=C\C(F)(F)F)c1ccccc1 ZINC000077010621 177146148 /nfs/dbraw/zinc/14/61/48/177146148.db2.gz ZYXQZNZVVMFZPR-ZCPJJFRWSA-N 1 0 295.349 5.107 10 30 CKEERO Cc1ccccc1[S@+](/C=C\C(F)(F)F)c1ccccc1 ZINC000077010626 177146212 /nfs/dbraw/zinc/14/62/12/177146212.db2.gz ZYXQZNZVVMFZPR-DUQGCJEPSA-N 1 0 295.349 5.107 10 30 CKEERO CCCCCCCCCCC[N+](C)(C)Cc1ccccc1 ZINC000077946399 520016874 /nfs/dbraw/zinc/01/68/74/520016874.db2.gz OVQUVWCFWHMKRG-UHFFFAOYSA-N 1 0 290.515 5.794 10 30 CKEERO CCCCCCCCCCC[N+](CC)(CC)CC ZINC000082089957 717135336 /nfs/dbraw/zinc/13/53/36/717135336.db2.gz PXKWXYSJOJCCRI-UHFFFAOYSA-N 1 0 256.498 5.394 10 30 CKEERO CCCCCCCCCCC[N+]1(CC)CCCCC1 ZINC000095681366 717139783 /nfs/dbraw/zinc/13/97/83/717139783.db2.gz AKRFXXRCDMCVHI-UHFFFAOYSA-N 1 0 268.509 5.538 10 30 CKEERO CCCCCCCCCCCCCCC[N+](C)(C)CC ZINC000095731539 185022585 /nfs/dbraw/zinc/02/25/85/185022585.db2.gz XZLXUVABRCMCHH-UHFFFAOYSA-N 1 0 284.552 6.174 10 30 CKEERO SCC[NH2+]CCCCC1CCC(C2CCCCC2)CC1 ZINC000096328036 256839612 /nfs/dbraw/zinc/83/96/12/256839612.db2.gz NZSIBNVHHZTSPO-UHFFFAOYSA-N 1 0 297.552 5.063 10 30 CKEERO CCCCCCCCCCCC[N+](C)(C)CC1=CCC=C1 ZINC000100027478 717142047 /nfs/dbraw/zinc/14/20/47/717142047.db2.gz SYYLDCYEFKBLLN-UHFFFAOYSA-N 1 0 291.523 5.903 10 30 CKEERO CCCCCCCCC[NH2+]CCCCCCCC ZINC000100116911 185706392 /nfs/dbraw/zinc/70/63/92/185706392.db2.gz VXXCRDZDUHBQPF-UHFFFAOYSA-N 1 0 255.490 5.687 10 30 CKEERO CCCCCCCCCC[C@@H](C)[NH2+]Cc1ccccc1 ZINC000100471960 567913339 /nfs/dbraw/zinc/91/33/39/567913339.db2.gz SRZHZECYLYTSQI-GOSISDBHSA-N 1 0 275.480 5.696 10 30 CKEERO CCCCCCCCCC[C@H](C)[NH2+]Cc1ccccc1 ZINC000100471965 567913282 /nfs/dbraw/zinc/91/32/82/567913282.db2.gz SRZHZECYLYTSQI-SFHVURJKSA-N 1 0 275.480 5.696 10 30 CKEERO CCCCCCCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC000100688982 528125122 /nfs/dbraw/zinc/12/51/22/528125122.db2.gz YQPYLDUAOPRVRP-UHFFFAOYSA-N 1 0 289.507 6.006 10 30 CKEERO CCCCCCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000102768670 185790650 /nfs/dbraw/zinc/79/06/50/185790650.db2.gz KXDUDHHFTWUOJH-KRWDZBQOSA-N 1 0 261.453 5.334 10 30 CKEERO CCCCCCCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000103558365 520033471 /nfs/dbraw/zinc/03/34/71/520033471.db2.gz VTTCFAGGQIECAX-UHFFFAOYSA-N 1 0 293.539 6.314 10 30 CKEERO CCCCCCCCCCCCCC[N+](C)(C)CC ZINC000103841896 528123628 /nfs/dbraw/zinc/12/36/28/528123628.db2.gz DELLBLKQOILBPT-UHFFFAOYSA-N 1 0 270.525 5.784 10 30 CKEERO CCCCCCCCCCCC[C@@H]([NH3+])CCC(C)C ZINC000103933982 185864318 /nfs/dbraw/zinc/86/43/18/185864318.db2.gz KWOXRIKCHPDVDP-GOSISDBHSA-N 1 0 269.517 6.061 10 30 CKEERO CCCCCCCC[C@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000103935221 185865002 /nfs/dbraw/zinc/86/50/02/185865002.db2.gz XIHBPPMIOFFNQY-INIZCTEOSA-N 1 0 267.844 5.351 10 30 CKEERO CCCCCCC[C@@H]([NH2+]CCC)c1ccccc1F ZINC000103936592 185865059 /nfs/dbraw/zinc/86/50/59/185865059.db2.gz JNCQPCZRLAFPFV-QGZVFWFLSA-N 1 0 265.416 5.227 10 30 CKEERO CCCCCCCCCCCC[C@@H](C)[C@H](C)[NH2+]C ZINC000103940166 185864709 /nfs/dbraw/zinc/86/47/09/185864709.db2.gz PPKGXPGUHWIUPM-SJORKVTESA-N 1 0 255.490 5.541 10 30 CKEERO CCCCCCCCCC[C@@H](C(C)C)[C@@H](C)[NH2+]CC ZINC000103941654 185866107 /nfs/dbraw/zinc/86/61/07/185866107.db2.gz RWQYECCQSKOYOF-MSOLQXFVSA-N 1 0 269.517 5.787 10 30 CKEERO CCCCCCCCCCC[C@H](CCC)[NH2+]CC ZINC000103947392 185866752 /nfs/dbraw/zinc/86/67/52/185866752.db2.gz XFPTZAVWJQHFTF-KRWDZBQOSA-N 1 0 255.490 5.686 10 30 CKEERO CCCCCCCCCCC[C@H](CCC)[NH2+]CCC ZINC000103949178 185866733 /nfs/dbraw/zinc/86/67/33/185866733.db2.gz ZBOQLCTXFCELRC-SFHVURJKSA-N 1 0 269.517 6.076 10 30 CKEERO CCCCCCCCCCCC[C@H](CCC)[NH2+]C ZINC000103951576 185867425 /nfs/dbraw/zinc/86/74/25/185867425.db2.gz FUHFGXVGPHNTHC-KRWDZBQOSA-N 1 0 255.490 5.686 10 30 CKEERO CCCCCCCCC[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000103952994 185867821 /nfs/dbraw/zinc/86/78/21/185867821.db2.gz GNFPRRBVHBSUJG-WMZOPIPTSA-N 1 0 267.501 5.671 10 30 CKEERO CCCCCCCCCCCC[NH2+]CCCCC ZINC000103997471 185878067 /nfs/dbraw/zinc/87/80/67/185878067.db2.gz ZFPJDGVYWJLMSP-UHFFFAOYSA-N 1 0 255.490 5.687 10 30 CKEERO CCCCCCCCC[C@@H](CCC)C[NH2+]C(C)C ZINC000103997739 185877947 /nfs/dbraw/zinc/87/79/47/185877947.db2.gz XRMYXYVOYYAWFI-QGZVFWFLSA-N 1 0 255.490 5.541 10 30 CKEERO CCCCCCCC[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000103997760 185878522 /nfs/dbraw/zinc/87/85/22/185878522.db2.gz MXQAHIWRJOBVBO-MRXNPFEDSA-N 1 0 255.490 5.397 10 30 CKEERO CCCCCCCCCCCC[NH2+][C@H](C)CC(C)C ZINC000103999015 185879671 /nfs/dbraw/zinc/87/96/71/185879671.db2.gz BKMCJGPOPBEVQM-GOSISDBHSA-N 1 0 269.517 5.932 10 30 CKEERO CCCCCCCC[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000104002207 185879129 /nfs/dbraw/zinc/87/91/29/185879129.db2.gz GBNCDUNOVGVXRT-KRWDZBQOSA-N 1 0 255.490 5.255 10 30 CKEERO CCCCCCCCCC[C@@H](CC)C[NH2+]C(C)(C)C ZINC000104004763 185880676 /nfs/dbraw/zinc/88/06/76/185880676.db2.gz XTGJHLUVJBHPQJ-QGZVFWFLSA-N 1 0 269.517 5.932 10 30 CKEERO CCCCCCCC[C@@](CC)(C[NH3+])c1ccccc1 ZINC000104008940 185881312 /nfs/dbraw/zinc/88/13/12/185881312.db2.gz GCLUXCWOGVKJBE-SFHVURJKSA-N 1 0 261.453 5.044 10 30 CKEERO CCCCCCCC[C@](CC)(C[NH3+])c1ccccc1 ZINC000104008945 185881502 /nfs/dbraw/zinc/88/15/02/185881502.db2.gz GCLUXCWOGVKJBE-GOSISDBHSA-N 1 0 261.453 5.044 10 30 CKEERO CCCCCCCC(CC)(CC)C[NH2+]C(C)(C)C ZINC000104010804 185881658 /nfs/dbraw/zinc/88/16/58/185881658.db2.gz BMJCSBWRBSFCAU-UHFFFAOYSA-N 1 0 255.490 5.541 10 30 CKEERO CCCCCCCCC(CC)(CC)C[NH2+]C(C)(C)C ZINC000104012582 185882801 /nfs/dbraw/zinc/88/28/01/185882801.db2.gz SDHHIEKYGCGPEA-UHFFFAOYSA-N 1 0 269.517 5.932 10 30 CKEERO CCCCCCCCCCCC[NH2+]CCC(C)C ZINC000104013801 185882401 /nfs/dbraw/zinc/88/24/01/185882401.db2.gz MGEUFDCYYUUXTR-UHFFFAOYSA-N 1 0 255.490 5.543 10 30 CKEERO CCCCCCCCC[C@@H](C[NH2+]C(C)C)C(C)C ZINC000104017820 185883198 /nfs/dbraw/zinc/88/31/98/185883198.db2.gz PIGVAOVOJKGWMO-KRWDZBQOSA-N 1 0 255.490 5.397 10 30 CKEERO CCCCCCCCCCC(CC)(CC)C[NH2+]C ZINC000104018116 185883393 /nfs/dbraw/zinc/88/33/93/185883393.db2.gz PZXJGXVWCGTIKV-UHFFFAOYSA-N 1 0 255.490 5.543 10 30 CKEERO CCCCCCCC[C@](C)(CCC)C[NH2+]CCC ZINC000104020118 185883729 /nfs/dbraw/zinc/88/37/29/185883729.db2.gz GBVTYPCDQRUFCR-KRWDZBQOSA-N 1 0 255.490 5.543 10 30 CKEERO CCCCCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1[NH3+] ZINC000104146149 185911499 /nfs/dbraw/zinc/91/14/99/185911499.db2.gz FRBQVHJJSXPVTI-BZSNNMDCSA-N 1 0 267.501 5.671 10 30 CKEERO CCCCCCC[C@H]1C[C@H](CC)CC[C@@H]1[NH2+]CCC ZINC000104149832 185912349 /nfs/dbraw/zinc/91/23/49/185912349.db2.gz KBHPCKRKLJHGNP-SQNIBIBYSA-N 1 0 267.501 5.541 10 30 CKEERO CCCCCCCC[C@@](C)([NH3+])c1cc(C)ccc1C ZINC000104156107 185914036 /nfs/dbraw/zinc/91/40/36/185914036.db2.gz NXSCLHYKTJJDMY-GOSISDBHSA-N 1 0 261.453 5.228 10 30 CKEERO CCCCCCCCC[C@H](C)[C@H](CC)[NH2+]CCC ZINC000104159914 185914429 /nfs/dbraw/zinc/91/44/29/185914429.db2.gz FTNRKRCJJSOLPB-IRXDYDNUSA-N 1 0 255.490 5.541 10 30 CKEERO CCCCCCCCCC[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000104206590 185931001 /nfs/dbraw/zinc/93/10/01/185931001.db2.gz TYIPIKGASNUINV-DLBZAZTESA-N 1 0 255.490 5.541 10 30 CKEERO CCCCCCCCCC[C@@H]([NH2+]CCC)[C@@H](C)CC ZINC000104215009 185933897 /nfs/dbraw/zinc/93/38/97/185933897.db2.gz YSKMZTSVVNZZPI-ZWKOTPCHSA-N 1 0 269.517 5.932 10 30 CKEERO C/C(=[NH+]/[C@H](C)CC(C)C)c1ccc2ccccc2c1 ZINC000105048840 186038855 /nfs/dbraw/zinc/03/88/55/186038855.db2.gz LSSUPOCJYPDZCL-FJAMSSDQSA-N 1 0 253.389 5.083 10 30 CKEERO C/C(=[NH+]\[C@@H](C)CC(C)C)c1ccc2ccccc2c1 ZINC000105048841 186038221 /nfs/dbraw/zinc/03/82/21/186038221.db2.gz LSSUPOCJYPDZCL-PTJLRZKYSA-N 1 0 253.389 5.083 10 30 CKEERO CCCCCCCCCCCCC[N+]1(CC)CCCCC1 ZINC000105353814 717147730 /nfs/dbraw/zinc/14/77/30/717147730.db2.gz OHIAQRUIAJOPSI-UHFFFAOYSA-N 1 0 296.563 6.318 10 30 CKEERO CCCCCCCCCCCCCC[N+]1(CC)CCCC1 ZINC000105353827 717147616 /nfs/dbraw/zinc/14/76/16/717147616.db2.gz FNURQEVANFHKKS-UHFFFAOYSA-N 1 0 296.563 6.318 10 30 CKEERO CCCCCCCCCCCC[NH2+]CCC(C)(C)C ZINC000106308011 186108562 /nfs/dbraw/zinc/10/85/62/186108562.db2.gz WPOJFBDOIYBCFE-UHFFFAOYSA-N 1 0 269.517 5.933 10 30 CKEERO CCCCCCCCCCCC[NH2+]CC(CC)CC ZINC000106308014 186107593 /nfs/dbraw/zinc/10/75/93/186107593.db2.gz UMRFLPYOJXFTEK-UHFFFAOYSA-N 1 0 269.517 5.933 10 30 CKEERO CCCCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC ZINC000109661756 186269180 /nfs/dbraw/zinc/26/91/80/186269180.db2.gz AXZSFSHLVLZLMA-ZACQAIPSSA-N 1 0 253.474 5.151 10 30 CKEERO CCCCCCC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC ZINC000109661758 186268493 /nfs/dbraw/zinc/26/84/93/186268493.db2.gz AXZSFSHLVLZLMA-IKGGRYGDSA-N 1 0 253.474 5.151 10 30 CKEERO CCCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC ZINC000109661761 186268330 /nfs/dbraw/zinc/26/83/30/186268330.db2.gz AXZSFSHLVLZLMA-BBWFWOEESA-N 1 0 253.474 5.151 10 30 CKEERO CCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC ZINC000109661763 186269221 /nfs/dbraw/zinc/26/92/21/186269221.db2.gz AXZSFSHLVLZLMA-ULQDDVLXSA-N 1 0 253.474 5.151 10 30 CKEERO CCCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1[NH2+]CC ZINC000109664790 186268781 /nfs/dbraw/zinc/26/87/81/186268781.db2.gz CLLYCTUHWODCII-KURKYZTESA-N 1 0 267.501 5.541 10 30 CKEERO CCCCCCC[C@H]1C[C@H](CCC)CC[C@@H]1[NH2+]CC ZINC000109664792 186269219 /nfs/dbraw/zinc/26/92/19/186269219.db2.gz CLLYCTUHWODCII-SQNIBIBYSA-N 1 0 267.501 5.541 10 30 CKEERO CCCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1[NH2+]CC ZINC000109664796 186269134 /nfs/dbraw/zinc/26/91/34/186269134.db2.gz CLLYCTUHWODCII-KSZLIROESA-N 1 0 267.501 5.541 10 30 CKEERO CCCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1[NH2+]CC ZINC000109664798 186268720 /nfs/dbraw/zinc/26/87/20/186268720.db2.gz CLLYCTUHWODCII-BZSNNMDCSA-N 1 0 267.501 5.541 10 30 CKEERO CCCCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000109667618 186268863 /nfs/dbraw/zinc/26/88/63/186268863.db2.gz YBQGUHUXOHJWRK-ZACQAIPSSA-N 1 0 253.474 5.137 10 30 CKEERO CCCCCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000109667620 186269059 /nfs/dbraw/zinc/26/90/59/186269059.db2.gz YBQGUHUXOHJWRK-IKGGRYGDSA-N 1 0 253.474 5.137 10 30 CKEERO CCCCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000109667623 186268638 /nfs/dbraw/zinc/26/86/38/186268638.db2.gz YBQGUHUXOHJWRK-BBWFWOEESA-N 1 0 253.474 5.137 10 30 CKEERO CCCCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000109667626 186269350 /nfs/dbraw/zinc/26/93/50/186269350.db2.gz YBQGUHUXOHJWRK-ULQDDVLXSA-N 1 0 253.474 5.137 10 30 CKEERO CCCCCCC[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000109704385 186268542 /nfs/dbraw/zinc/26/85/42/186268542.db2.gz IIXYBTLOVUEFGW-WBVHZDCISA-N 1 0 253.474 5.281 10 30 CKEERO CCCCCCC[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000109704387 186269190 /nfs/dbraw/zinc/26/91/90/186269190.db2.gz IIXYBTLOVUEFGW-NVXWUHKLSA-N 1 0 253.474 5.281 10 30 CKEERO CCCCCCC[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000109704389 186269319 /nfs/dbraw/zinc/26/93/19/186269319.db2.gz IIXYBTLOVUEFGW-RDJZCZTQSA-N 1 0 253.474 5.281 10 30 CKEERO CCCCCCC[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000109704392 186269373 /nfs/dbraw/zinc/26/93/73/186269373.db2.gz IIXYBTLOVUEFGW-DOTOQJQBSA-N 1 0 253.474 5.281 10 30 CKEERO CCCCCCCCC[C@@H](CC(F)(F)F)[NH2+]CC ZINC000109729151 186270519 /nfs/dbraw/zinc/27/05/19/186270519.db2.gz UWJNJBGCDFLAFP-ZDUSSCGKSA-N 1 0 267.379 5.058 10 30 CKEERO CCCCCCCCC[C@H](CC(F)(F)F)[NH2+]CC ZINC000109729154 186270677 /nfs/dbraw/zinc/27/06/77/186270677.db2.gz UWJNJBGCDFLAFP-CYBMUJFWSA-N 1 0 267.379 5.058 10 30 CKEERO CCCCCCC[C@]1(C[NH2+]C(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110196375 186287986 /nfs/dbraw/zinc/28/79/86/186287986.db2.gz QGSUIPOKWGZYFA-RCCFBDPRSA-N 1 0 265.485 5.151 10 30 CKEERO CCCCCCC[C@@]1(C[NH2+]C(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110196378 186287984 /nfs/dbraw/zinc/28/79/84/186287984.db2.gz QGSUIPOKWGZYFA-KSZLIROESA-N 1 0 265.485 5.151 10 30 CKEERO CCCCCCCC[C@H]([NH2+]CCC)C1CCCCC1 ZINC000110446551 186296758 /nfs/dbraw/zinc/29/67/58/186296758.db2.gz CSQCRAYLBQBLID-SFHVURJKSA-N 1 0 267.501 5.686 10 30 CKEERO CCCCCCCC[C@@H]([NH2+]CCC)C1CCCCC1 ZINC000110446554 186296198 /nfs/dbraw/zinc/29/61/98/186296198.db2.gz CSQCRAYLBQBLID-GOSISDBHSA-N 1 0 267.501 5.686 10 30 CKEERO CCCCCCCC1(C[NH2+]CC(C)C)CCCCC1 ZINC000110449497 186297453 /nfs/dbraw/zinc/29/74/53/186297453.db2.gz CBBHBIPDHNHRFC-UHFFFAOYSA-N 1 0 267.501 5.543 10 30 CKEERO CCCCCCCC[C@@](CC)(CCCC)C[NH2+]C ZINC000110449545 186297393 /nfs/dbraw/zinc/29/73/93/186297393.db2.gz CTVAXQFXBWKZAP-QGZVFWFLSA-N 1 0 255.490 5.543 10 30 CKEERO CCCCCCCC[C@](CC)(CCCC)C[NH2+]C ZINC000110449548 186297305 /nfs/dbraw/zinc/29/73/05/186297305.db2.gz CTVAXQFXBWKZAP-KRWDZBQOSA-N 1 0 255.490 5.543 10 30 CKEERO CCCCCCC[C@H]([NH2+]C)c1ccc(F)cc1Cl ZINC000110462937 186297115 /nfs/dbraw/zinc/29/71/15/186297115.db2.gz FGDHBTZMZBHNID-HNNXBMFYSA-N 1 0 271.807 5.100 10 30 CKEERO CCCCCCCCCCCCC[C@@H](C)[NH2+]CC ZINC000110517816 186301076 /nfs/dbraw/zinc/30/10/76/186301076.db2.gz YABCTPBPIKVOOH-QGZVFWFLSA-N 1 0 255.490 5.686 10 30 CKEERO CCCCCCCCCCCCC[C@H](C)[NH2+]CC ZINC000110517819 186300866 /nfs/dbraw/zinc/30/08/66/186300866.db2.gz YABCTPBPIKVOOH-KRWDZBQOSA-N 1 0 255.490 5.686 10 30 CKEERO CCCCCCCC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000110521264 186301292 /nfs/dbraw/zinc/30/12/92/186301292.db2.gz NEQULTKHUQYWLE-UHFFFAOYSA-N 1 0 267.501 5.686 10 30 CKEERO CCCCCCCCCCCCOC[N+]1(C)CCCCC1 ZINC000111464574 717148782 /nfs/dbraw/zinc/14/87/82/717148782.db2.gz WQEDEZJHHYRJCA-UHFFFAOYSA-N 1 0 298.535 5.512 10 30 CKEERO CCCCCCCCC[N+](C)(C)Cc1ccccc1 ZINC000111488213 717148674 /nfs/dbraw/zinc/14/86/74/717148674.db2.gz VRYRQBMYZJZRAE-UHFFFAOYSA-N 1 0 262.461 5.014 10 30 CKEERO CCCCCCCC[N+](C)(C)C[C@@H](CC)CCCC ZINC000111905538 717149240 /nfs/dbraw/zinc/14/92/40/717149240.db2.gz YKZSMJHWONIGCF-SFHVURJKSA-N 1 0 270.525 5.640 10 30 CKEERO CCCCCCCC[N+](C)(C)C[C@H](CC)CCCC ZINC000111905541 186464442 /nfs/dbraw/zinc/46/44/42/186464442.db2.gz YKZSMJHWONIGCF-GOSISDBHSA-N 1 0 270.525 5.640 10 30 CKEERO CCCCCCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000112888809 186538923 /nfs/dbraw/zinc/53/89/23/186538923.db2.gz BKHAZLYDHGLJLW-HNNXBMFYSA-N 1 0 298.268 5.200 10 30 CKEERO CCCCCCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000112888812 186539315 /nfs/dbraw/zinc/53/93/15/186539315.db2.gz BKHAZLYDHGLJLW-OAHLLOKOSA-N 1 0 298.268 5.200 10 30 CKEERO CCCCCCCC[C@H]([NH2+]CCC)C1CCCC1 ZINC000112893533 186539507 /nfs/dbraw/zinc/53/95/07/186539507.db2.gz LGSQYDULTVPGSY-KRWDZBQOSA-N 1 0 253.474 5.295 10 30 CKEERO CCCCCCCC[C@@H]([NH2+]CCC)C1CCCC1 ZINC000112893535 186539447 /nfs/dbraw/zinc/53/94/47/186539447.db2.gz LGSQYDULTVPGSY-QGZVFWFLSA-N 1 0 253.474 5.295 10 30 CKEERO CCCCCCC[C@@H](Cc1cccs1)[NH2+]CCC ZINC000112897225 186540008 /nfs/dbraw/zinc/54/00/08/186540008.db2.gz SPGINRHMWLZQQX-HNNXBMFYSA-N 1 0 267.482 5.019 10 30 CKEERO C=Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1 ZINC000113912502 717149710 /nfs/dbraw/zinc/14/97/10/717149710.db2.gz ZAPCSGBMKQPSRA-UHFFFAOYSA-N 1 0 274.472 5.267 10 30 CKEERO CCCCCCCCCCCC[N+](C)(CC)CC ZINC000118656001 717150089 /nfs/dbraw/zinc/15/00/89/717150089.db2.gz IDEJJVMHAIEVHN-UHFFFAOYSA-N 1 0 256.498 5.394 10 30 CKEERO CCCCCCCC[N+](CC)(CC)CCCCCCCC ZINC000118804481 717150292 /nfs/dbraw/zinc/15/02/92/717150292.db2.gz YHGYWQSVROLRND-UHFFFAOYSA-N 1 0 298.579 6.564 10 30 CKEERO C=CC[N+](C)(C)CCCCCCCCCCCCCC ZINC000136876936 717150545 /nfs/dbraw/zinc/15/05/45/717150545.db2.gz RWWYHVLPMSBLNA-UHFFFAOYSA-N 1 0 282.536 5.950 10 30 CKEERO CCCCCCCC[C@@H](CCCCCC)C[N+](C)(C)C ZINC000138048960 717151123 /nfs/dbraw/zinc/15/11/23/717151123.db2.gz XYKRXXXJOIIQQJ-LJQANCHMSA-N 1 0 284.552 6.030 10 30 CKEERO CCCCCCCC[C@H](CCCCCC)C[N+](C)(C)C ZINC000138049055 717151352 /nfs/dbraw/zinc/15/13/52/717151352.db2.gz XYKRXXXJOIIQQJ-IBGZPJMESA-N 1 0 284.552 6.030 10 30 CKEERO CCCCCCCCC[N+](CCC)(CCC)CCC ZINC000139213457 717152124 /nfs/dbraw/zinc/15/21/24/717152124.db2.gz RCXQXXBOIXJCEQ-UHFFFAOYSA-N 1 0 270.525 5.784 10 30 CKEERO CCCCCCCC[N+](CCC)(CCC)CCC ZINC000141089360 717152260 /nfs/dbraw/zinc/15/22/60/717152260.db2.gz OUVWASDFMKDEDL-UHFFFAOYSA-N 1 0 256.498 5.394 10 30 CKEERO CCCCCCCC[N+](CC)(CC)Cc1ccccc1 ZINC000149891576 717153683 /nfs/dbraw/zinc/15/36/83/717153683.db2.gz LOONLYNKRNTOSD-UHFFFAOYSA-N 1 0 276.488 5.404 10 30 CKEERO CCCCCCCC[N+](C)(C)CCCCCCC ZINC000199399151 717158948 /nfs/dbraw/zinc/15/89/48/717158948.db2.gz FLHXZOFTZKMECQ-UHFFFAOYSA-N 1 0 256.498 5.394 10 30 CKEERO CCCCCCCCCCCC[N+]12CCC(CC1)CC2 ZINC000205242221 717159795 /nfs/dbraw/zinc/15/97/95/717159795.db2.gz CYFLCXCGKSHWGE-UHFFFAOYSA-N 1 0 280.520 5.538 10 30 CKEERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235167842 333366423 /nfs/dbraw/zinc/36/64/23/333366423.db2.gz ANZZPKYNOGZOGU-CQSZACIVSA-N 1 0 292.854 5.053 10 30 CKEERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235467150 333369912 /nfs/dbraw/zinc/36/99/12/333369912.db2.gz ANZZPKYNOGZOGU-AWEZNQCLSA-N 1 0 292.854 5.053 10 30 CKEERO