smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2[nH]c3c(c2c1)CCC/C3=[NH+]\C1CCCCC1 ZINC000000131400 567930997 /nfs/dbraw/zinc/93/09/97/567930997.db2.gz OFRIEZHLORKXLQ-CZIZESTLSA-N 1 0 280.415 4.934 40 30 CJEBRO CCCCCCCCC[C@H](C)N1CCC[NH+]=C1C ZINC000001569133 528127098 /nfs/dbraw/zinc/12/70/98/528127098.db2.gz UMOPTRRCCJUYAY-HNNXBMFYSA-N 1 0 252.446 4.640 40 30 CJEBRO C[NH+](C)CC[C@](C#N)(CCC1CCCCC1)c1ccccc1 ZINC000001593251 567838889 /nfs/dbraw/zinc/83/88/89/567838889.db2.gz BIDPGGQVPUKLMB-FQEVSTJZSA-N 1 0 298.474 4.760 40 30 CJEBRO CCCCCCCCC/C=C1\CC[C@@H](C[NH+](C)C)C1=O ZINC000001632003 260005792 /nfs/dbraw/zinc/00/57/92/260005792.db2.gz PIKBMJHEEKMGLM-MOKGIYGOSA-N 1 0 279.468 4.594 40 30 CJEBRO CCCCCCCCC/C=C1/CC[C@@H](C[NH+](C)C)C1=O ZINC000001632004 260006048 /nfs/dbraw/zinc/00/60/48/260006048.db2.gz PIKBMJHEEKMGLM-WBILKINKSA-N 1 0 279.468 4.594 40 30 CJEBRO CCCCCCCCC/C=C1\CC[C@H](C[NH+](C)C)C1=O ZINC000001632005 260005937 /nfs/dbraw/zinc/00/59/37/260005937.db2.gz PIKBMJHEEKMGLM-NWNNTGRJSA-N 1 0 279.468 4.594 40 30 CJEBRO CCCCCCCCC/C=C1/CC[C@H](C[NH+](C)C)C1=O ZINC000001632006 260006087 /nfs/dbraw/zinc/00/60/87/260006087.db2.gz PIKBMJHEEKMGLM-TXQCQQFXSA-N 1 0 279.468 4.594 40 30 CJEBRO C=CC[NH+](CC=C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001668857 566901743 /nfs/dbraw/zinc/90/17/43/566901743.db2.gz QCLZULJBDHWABQ-FQEVSTJZSA-N 1 0 277.411 4.644 40 30 CJEBRO CCC[C@@H](C)C(Nc1ccc(Cl)c(Cl)c1)=[NH+]C ZINC000001676648 567841047 /nfs/dbraw/zinc/84/10/47/567841047.db2.gz AVVKXTQADFDNGF-SECBINFHSA-N 1 0 273.207 4.870 40 30 CJEBRO Clc1ccc(N/C=[NH+]/c2ccc(Cl)cc2)cc1 ZINC000001685907 567841312 /nfs/dbraw/zinc/84/13/12/567841312.db2.gz JKRSTGFFPVKIQN-UHFFFAOYSA-N 1 0 265.143 4.765 40 30 CJEBRO C=C(C(=O)c1ccccc1)[C@H]([NH2+]C(C)(C)C)c1ccccc1 ZINC000001701253 567842235 /nfs/dbraw/zinc/84/22/35/567842235.db2.gz UNCAQULQGYCEFW-SFHVURJKSA-N 1 0 293.410 4.555 40 30 CJEBRO CCCCCCCC[n+]1cccc(C(=O)c2ccccc2)c1 ZINC000001712158 567842056 /nfs/dbraw/zinc/84/20/56/567842056.db2.gz WHBBOJBGQOWDRA-UHFFFAOYSA-N 1 0 296.434 4.566 40 30 CJEBRO CCCCCCCCCCCC[n+]1ccc(C#N)cc1 ZINC000001712172 528125045 /nfs/dbraw/zinc/12/50/45/528125045.db2.gz RMHRKTFCEGDSNG-UHFFFAOYSA-N 1 0 273.444 4.767 40 30 CJEBRO CCCCCCCC[N+]1(C)CCC[C@H]1c1cccnc1 ZINC000001718361 528132750 /nfs/dbraw/zinc/13/27/50/528132750.db2.gz SGLUZUWYMRNXEF-LROBGIAVSA-N 1 0 275.460 4.724 40 30 CJEBRO CCCCCCCC[N+]1(C)CCC[C@@H]1c1cccnc1 ZINC000001718363 520047381 /nfs/dbraw/zinc/04/73/81/520047381.db2.gz SGLUZUWYMRNXEF-QSVWIEALSA-N 1 0 275.460 4.724 40 30 CJEBRO c1ccc(C[N+](Cc2ccccc2)=C2CCCCC2)cc1 ZINC000001727816 567842929 /nfs/dbraw/zinc/84/29/29/567842929.db2.gz MTRCENFLKDDTGY-UHFFFAOYSA-N 1 0 278.419 4.804 40 30 CJEBRO CCCCCCCCCOc1ccccc1C[NH2+]CC ZINC000002030583 566984632 /nfs/dbraw/zinc/98/46/32/566984632.db2.gz FVQIOHBAVMTNEV-UHFFFAOYSA-N 1 0 277.452 4.926 40 30 CJEBRO CCC[C@H](C)C(Nc1ccc(Cl)c(Cl)c1)=[NH+]C ZINC000002045465 567844573 /nfs/dbraw/zinc/84/45/73/567844573.db2.gz AVVKXTQADFDNGF-VIFPVBQESA-N 1 0 273.207 4.870 40 30 CJEBRO CCC[N+](/C=C/C(=O)c1ccc(C)cc1)(CCC)CCC ZINC000002557624 567148905 /nfs/dbraw/zinc/14/89/05/567148905.db2.gz WLHXPVNMCUEMGD-FOWTUZBSSA-N 1 0 288.455 4.738 40 30 CJEBRO CCC[N+](/C=C/C(=O)c1ccc(F)cc1)(CCC)CCC ZINC000002573020 717095750 /nfs/dbraw/zinc/09/57/50/717095750.db2.gz VKSIWTBMIIQJJT-RVDMUPIBSA-N 1 0 292.418 4.569 40 30 CJEBRO CCCCCCCCCCC#CC(C)(C)[NH+](C)C ZINC000003055702 567158861 /nfs/dbraw/zinc/15/88/61/567158861.db2.gz RVOUAKKIFJLEBB-UHFFFAOYSA-N 1 0 251.458 4.861 40 30 CJEBRO CCCCCCCCOc1ccccc1C[NH2+]C(C)C ZINC000003156734 169861798 /nfs/dbraw/zinc/86/17/98/169861798.db2.gz KZWMBJQFPCEQLF-UHFFFAOYSA-N 1 0 277.452 4.924 40 30 CJEBRO C[S@+]1C=C(c2ccccc2)SC=C1c1ccccc1 ZINC000005105356 170066596 /nfs/dbraw/zinc/06/65/96/170066596.db2.gz AZKHZYKHQOLECV-LJQANCHMSA-N 1 0 283.441 4.979 40 30 CJEBRO CC(C)(C)C#C/C=C/C[NH2+]Cc1cccc2ccccc21 ZINC000005350905 170088756 /nfs/dbraw/zinc/08/87/56/170088756.db2.gz IZJZLXQHMWUCIC-XBXARRHUSA-N 1 0 277.411 4.535 40 30 world CJEBRO C=C(C(=O)c1ccccc1)[C@@H]([NH2+]C(C)(C)C)c1ccccc1 ZINC000005434521 170098930 /nfs/dbraw/zinc/09/89/30/170098930.db2.gz UNCAQULQGYCEFW-GOSISDBHSA-N 1 0 293.410 4.555 40 30 CJEBRO O/N=C1/CCCCCCCCCC[C@H]1[NH+]1CCCCC1 ZINC000005621495 170121107 /nfs/dbraw/zinc/12/11/07/170121107.db2.gz YPGPOKIALLCVCA-FXBHHXAOSA-N 1 0 280.456 4.586 40 30 CJEBRO O/N=C1/CCCCCCCCCC[C@@H]1[NH+]1CCCCC1 ZINC000005621502 170121186 /nfs/dbraw/zinc/12/11/86/170121186.db2.gz YPGPOKIALLCVCA-HMNTXPNISA-N 1 0 280.456 4.586 40 30 CJEBRO C=CC[NH+](CC=C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000005852305 170147299 /nfs/dbraw/zinc/14/72/99/170147299.db2.gz QCLZULJBDHWABQ-HXUWFJFHSA-N 1 0 277.411 4.644 40 30 CJEBRO Cc1ccc(Sc2ccc(/[NH+]=C/N(C)C)cc2)cc1C ZINC000005943792 170159780 /nfs/dbraw/zinc/15/97/80/170159780.db2.gz LKUKTWBEDSFMEQ-LDADJPATSA-N 1 0 284.428 4.676 40 30 CJEBRO C[NH+](C)CC[C@@](C#N)(CCC1CCCCC1)c1ccccc1 ZINC000006437090 170201550 /nfs/dbraw/zinc/20/15/50/170201550.db2.gz BIDPGGQVPUKLMB-HXUWFJFHSA-N 1 0 298.474 4.760 40 30 CJEBRO C[C@@H](c1cccc2ccccc21)[N+](=O)Cc1ccccc1 ZINC000006437427 170201295 /nfs/dbraw/zinc/20/12/95/170201295.db2.gz XDUGYHKSUWLKMI-HNNXBMFYSA-N 1 0 275.351 4.530 40 30 CJEBRO [NH2+]=C(NC(=Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000006514139 170209096 /nfs/dbraw/zinc/20/90/96/170209096.db2.gz RMZSOCFGZHZLCI-SILNSSARSA-N 1 0 298.389 4.590 40 30 CJEBRO COc1ccc(/C=[NH+]/CC23CC4C[C@H](C2)CC[C@@H](C4)C3)cc1 ZINC000013799401 567894462 /nfs/dbraw/zinc/89/44/62/567894462.db2.gz TZCAEOIBKYCLBL-ZEUMWFIGSA-N 1 0 297.442 4.721 40 30 CJEBRO Clc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1 ZINC000015226128 261926185 /nfs/dbraw/zinc/92/61/85/261926185.db2.gz DABARJCEYUKZCZ-YBFXNURJSA-N 1 0 273.807 4.728 40 30 CJEBRO C[S@@+]1C=C(c2ccccc2)SC=C1c1ccccc1 ZINC000016973983 570225531 /nfs/dbraw/zinc/22/55/31/570225531.db2.gz AZKHZYKHQOLECV-IBGZPJMESA-N 1 0 283.441 4.979 40 30 CJEBRO CSC1=C/C(=N\Cc2ccccc2)CC(C)(C)S1 ZINC000017142935 567874912 /nfs/dbraw/zinc/87/49/12/567874912.db2.gz OZPOPMKWFFSMGB-DTQAZKPQSA-N 1 0 277.458 4.748 40 30 CJEBRO C=C(C)CN(CC(=C)C)C(=[NH2+])OC[C@H](CC)CCCC ZINC000017289713 570345570 /nfs/dbraw/zinc/34/55/70/570345570.db2.gz BXCPZVBBTJQBNG-MRXNPFEDSA-N 1 0 280.456 4.608 40 30 CJEBRO C=C(C)CN(CC(=C)C)C(=[NH2+])OC[C@@H](CC)CCCC ZINC000017289716 570345549 /nfs/dbraw/zinc/34/55/49/570345549.db2.gz BXCPZVBBTJQBNG-INIZCTEOSA-N 1 0 280.456 4.608 40 30 CJEBRO C/C=C(C)\C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C ZINC000017302492 567875755 /nfs/dbraw/zinc/87/57/55/567875755.db2.gz WANSQMUKDVJCHC-YWVIWWNGSA-N 1 0 271.191 4.551 40 30 CJEBRO CC[C@@H](C)/C(=[NH+]\c1ccc(Cl)c(Cl)c1)N(C)C ZINC000017302499 567875739 /nfs/dbraw/zinc/87/57/39/567875739.db2.gz YETCOPHNOQIHKS-IPTMZHPMSA-N 1 0 273.207 4.631 40 30 CJEBRO CC[C@H](C)/C(=[NH+]\c1ccc(Cl)c(Cl)c1)N(C)C ZINC000017302501 567875551 /nfs/dbraw/zinc/87/55/51/567875551.db2.gz YETCOPHNOQIHKS-ZZYATGKOSA-N 1 0 273.207 4.631 40 30 CJEBRO C/C=C(C)/C(=[NH+]\c1ccc(Cl)c(Cl)c1)N(C)C ZINC000017992781 567876158 /nfs/dbraw/zinc/87/61/58/567876158.db2.gz WANSQMUKDVJCHC-JKZVAXOGSA-N 1 0 271.191 4.551 40 30 CJEBRO CCCC[C@H](CC)C/[NH+]=C/c1ccc(Cl)cc1 ZINC000018084709 567876556 /nfs/dbraw/zinc/87/65/56/567876556.db2.gz CPAOGDRPZVHEIC-VLURKWGBSA-N 1 0 251.801 4.975 40 30 CJEBRO CCCC[C@@H](CC)C/[NH+]=C/c1ccc(Cl)cc1 ZINC000018176218 567877002 /nfs/dbraw/zinc/87/70/02/567877002.db2.gz CPAOGDRPZVHEIC-LVLBFHFTSA-N 1 0 251.801 4.975 40 30 CJEBRO C=CC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020158511 171039983 /nfs/dbraw/zinc/03/99/83/171039983.db2.gz BMGXJUGPVZHKGT-UHFFFAOYSA-N 1 0 282.170 4.529 40 30 CJEBRO C=CC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020158544 171039933 /nfs/dbraw/zinc/03/99/33/171039933.db2.gz XANBVRQKKSFZJC-UHFFFAOYSA-N 1 0 282.170 4.529 40 30 CJEBRO Cc1ccc([N+](=O)Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000036480294 525973252 /nfs/dbraw/zinc/97/32/52/525973252.db2.gz ANNCXFGQJLTBGY-XSFVSMFZSA-N 1 0 295.382 4.577 40 30 CJEBRO CCCCCCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000043397129 175036817 /nfs/dbraw/zinc/03/68/17/175036817.db2.gz PKIDTLMQYNIGIE-GOSISDBHSA-N 1 0 275.436 4.633 40 30 CJEBRO CCCCCCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000043397130 175036813 /nfs/dbraw/zinc/03/68/13/175036813.db2.gz PKIDTLMQYNIGIE-SFHVURJKSA-N 1 0 275.436 4.633 40 30 CJEBRO CC1=C[P@@+](Cc2ccccc2)(c2ccccc2)CC1 ZINC000073258315 567903146 /nfs/dbraw/zinc/90/31/46/567903146.db2.gz LNKWNXIEHMJKPA-IBGZPJMESA-N 1 0 267.332 4.837 40 30 CJEBRO CC1=C[P@+](Cc2ccccc2)(c2ccccc2)CC1 ZINC000073258316 176463412 /nfs/dbraw/zinc/46/34/12/176463412.db2.gz LNKWNXIEHMJKPA-LJQANCHMSA-N 1 0 267.332 4.837 40 30 CJEBRO CC(C)(C)C#C/C=C\C[NH2+]Cc1cccc2ccccc21 ZINC000090760462 180036878 /nfs/dbraw/zinc/03/68/78/180036878.db2.gz IZJZLXQHMWUCIC-YWEYNIOJSA-N 1 0 277.411 4.535 40 30 CJEBRO CCCCCCCCCCS/C(NCC)=[NH+]/CC ZINC000095902552 262503105 /nfs/dbraw/zinc/50/31/05/262503105.db2.gz GXNMMNPUJNREFY-UHFFFAOYSA-N 1 0 272.502 4.846 40 30 CJEBRO CC[NH+](CC)CC#CCC1c2ccccc2-c2ccccc21 ZINC000096194477 567140253 /nfs/dbraw/zinc/14/02/53/567140253.db2.gz VEFCZMOXVOUCCG-UHFFFAOYSA-N 1 0 289.422 4.534 40 30 CJEBRO CN(/C(=[NH+]/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000096682209 185109649 /nfs/dbraw/zinc/10/96/49/185109649.db2.gz RVHBMAQEZNRSBH-QZQOTICOSA-N 1 0 286.378 4.901 40 30 CJEBRO CCCCCCCCCCCCCC[NH2+]CCCO ZINC000100074726 567912129 /nfs/dbraw/zinc/91/21/29/567912129.db2.gz FDZNQCUTOMWCJE-UHFFFAOYSA-N 1 0 271.489 4.660 40 30 CJEBRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000100238801 567926367 /nfs/dbraw/zinc/92/63/67/567926367.db2.gz BINJYVBQAWLNCW-IBGZPJMESA-N 1 0 291.479 4.668 40 30 CJEBRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000100238803 520024866 /nfs/dbraw/zinc/02/48/66/520024866.db2.gz BINJYVBQAWLNCW-LJQANCHMSA-N 1 0 291.479 4.668 40 30 CJEBRO CC(=CC(C)=[NH+]c1ccccc1)Nc1ccccc1 ZINC000100252910 527523218 /nfs/dbraw/zinc/52/32/18/527523218.db2.gz PWYOZUDBDQUBBL-MNOJGGAQSA-N 1 0 250.345 4.795 40 30 CJEBRO CCCCCCCCCCCCCC(=O)OCC[NH+](C)C ZINC000100292139 567912617 /nfs/dbraw/zinc/91/26/17/567912617.db2.gz WVTLMDGNANZSAT-UHFFFAOYSA-N 1 0 299.499 4.792 40 30 CJEBRO CCCCCCCCCCCCCCN1CC[NH2+]CC1 ZINC000100413138 566878022 /nfs/dbraw/zinc/87/80/22/566878022.db2.gz JSLGTGABAFGQEF-UHFFFAOYSA-N 1 0 282.516 4.593 40 30 CJEBRO CCCCCCCCCCCCCCN1CC[NH2+]C[C@@H]1C ZINC000100413406 566877974 /nfs/dbraw/zinc/87/79/74/566877974.db2.gz XBXLFIBQAPFGIR-IBGZPJMESA-N 1 0 296.543 4.981 40 30 CJEBRO CCCCCCCCCCCCCCN1CC[NH2+]C[C@H]1C ZINC000100413409 566877094 /nfs/dbraw/zinc/87/70/94/566877094.db2.gz XBXLFIBQAPFGIR-LJQANCHMSA-N 1 0 296.543 4.981 40 30 CJEBRO CCCCCCC[NH2+]CCOCCCCCCC ZINC000100923884 567914197 /nfs/dbraw/zinc/91/41/97/567914197.db2.gz MVBMMPANWNKRLU-UHFFFAOYSA-N 1 0 257.462 4.533 40 30 CJEBRO CCCCCCCCCCCCCC[NH2+]C[C@@H](C)O ZINC000100925986 567914096 /nfs/dbraw/zinc/91/40/96/567914096.db2.gz OTBNHPAEPOLSAB-QGZVFWFLSA-N 1 0 271.489 4.658 40 30 CJEBRO CCCCCCCCCCCCCC[NH2+]C[C@H](C)O ZINC000100925988 567914023 /nfs/dbraw/zinc/91/40/23/567914023.db2.gz OTBNHPAEPOLSAB-KRWDZBQOSA-N 1 0 271.489 4.658 40 30 CJEBRO CCCCCCCCCCC[C@@H](CC[NH+](C)C)OC(C)=O ZINC000100932017 567914043 /nfs/dbraw/zinc/91/40/43/567914043.db2.gz LKKAYUVXGQJIRZ-SFHVURJKSA-N 1 0 299.499 4.791 40 30 CJEBRO CCCCCCCCCCC[C@H](CC[NH+](C)C)OC(C)=O ZINC000100932021 567914059 /nfs/dbraw/zinc/91/40/59/567914059.db2.gz LKKAYUVXGQJIRZ-GOSISDBHSA-N 1 0 299.499 4.791 40 30 CJEBRO CCCCCCCCCC[NH2+][C@@H](/C=N/O)c1ccccc1 ZINC000100933963 567914020 /nfs/dbraw/zinc/91/40/20/567914020.db2.gz KWEATCWTMKTFMX-CSRGTXSUSA-N 1 0 290.451 4.918 40 30 CJEBRO CCCCCCCCCC[NH2+][C@H](/C=N/O)c1ccccc1 ZINC000100933965 567914150 /nfs/dbraw/zinc/91/41/50/567914150.db2.gz KWEATCWTMKTFMX-RILMWAFASA-N 1 0 290.451 4.918 40 30 CJEBRO CC1CC[NH+]([C@@H]2CCCCCCCCCC/C2=N/O)CC1 ZINC000100966124 567914375 /nfs/dbraw/zinc/91/43/75/567914375.db2.gz UJDWZVONLWLTSM-LYHOESIGSA-N 1 0 294.483 4.832 40 30 CJEBRO CC1CC[NH+]([C@H]2CCCCCCCCCC/C2=N/O)CC1 ZINC000100966129 567914266 /nfs/dbraw/zinc/91/42/66/567914266.db2.gz UJDWZVONLWLTSM-VZCCSQPZSA-N 1 0 294.483 4.832 40 30 CJEBRO CCCCCCCC[C@]1(C)NC(c2ccccc2)=C[N+]1=O ZINC000102997160 570260404 /nfs/dbraw/zinc/26/04/04/570260404.db2.gz TVKHETJQAABPLE-GOSISDBHSA-N 1 0 286.419 4.537 40 30 CJEBRO CCCCCCCC[C@@]1(C)NC(c2ccccc2)=C[N+]1=O ZINC000102997163 570260423 /nfs/dbraw/zinc/26/04/23/570260423.db2.gz TVKHETJQAABPLE-SFHVURJKSA-N 1 0 286.419 4.537 40 30 CJEBRO CCCCCCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000103008415 567937962 /nfs/dbraw/zinc/93/79/62/567937962.db2.gz UOUPJSZSPKTYOY-UHFFFAOYSA-N 1 0 288.479 4.559 40 30 CJEBRO CCCC[C@@H](CC)C/[NH+]=C\c1ccc(Cl)cc1 ZINC000104064070 567915914 /nfs/dbraw/zinc/91/59/14/567915914.db2.gz CPAOGDRPZVHEIC-KAECEXQPSA-N 1 0 251.801 4.975 40 30 CJEBRO CCCC[C@H](CC)C/[NH+]=C\c1ccc(Cl)cc1 ZINC000104064077 567915947 /nfs/dbraw/zinc/91/59/47/567915947.db2.gz CPAOGDRPZVHEIC-IGWPVBGESA-N 1 0 251.801 4.975 40 30 CJEBRO CCCCCCCC[C@H]1[NH2+][C@H]1CCCCCCCCO ZINC000104156515 567916154 /nfs/dbraw/zinc/91/61/54/567916154.db2.gz KESAODXICHRORT-MSOLQXFVSA-N 1 0 283.500 4.800 40 30 CJEBRO CCCCCCCC[C@@H]1[NH2+][C@H]1CCCCCCCCO ZINC000104156519 567916166 /nfs/dbraw/zinc/91/61/66/567916166.db2.gz KESAODXICHRORT-ROUUACIJSA-N 1 0 283.500 4.800 40 30 CJEBRO CCCCCCCC[C@H]1[NH2+][C@@H]1CCCCCCCCO ZINC000104156523 567916285 /nfs/dbraw/zinc/91/62/85/567916285.db2.gz KESAODXICHRORT-QZTJIDSGSA-N 1 0 283.500 4.800 40 30 CJEBRO CCCCCCCC[C@@H]1[NH2+][C@@H]1CCCCCCCCO ZINC000104156528 567916177 /nfs/dbraw/zinc/91/61/77/567916177.db2.gz KESAODXICHRORT-ZWKOTPCHSA-N 1 0 283.500 4.800 40 30 CJEBRO CSC(/C=C\c1ccccc1)=[NH+]/c1ccccc1 ZINC000104204362 567916367 /nfs/dbraw/zinc/91/63/67/567916367.db2.gz KGDXVHCSIVRCDZ-XKALYWTKSA-N 1 0 253.370 4.793 40 30 CJEBRO CSC(/C=C/c1ccccc1)=[NH+]/c1ccccc1 ZINC000104204368 567916400 /nfs/dbraw/zinc/91/64/00/567916400.db2.gz KGDXVHCSIVRCDZ-CANNQBONSA-N 1 0 253.370 4.793 40 30 CJEBRO CCCCCCCCC[C@@H](C)N1CCC[NH+]=C1C ZINC000104207046 567916312 /nfs/dbraw/zinc/91/63/12/567916312.db2.gz UMOPTRRCCJUYAY-OAHLLOKOSA-N 1 0 252.446 4.640 40 30 CJEBRO C[C@H](c1cccc2ccccc21)[N+](=O)Cc1ccccc1 ZINC000104294686 567916541 /nfs/dbraw/zinc/91/65/41/567916541.db2.gz XDUGYHKSUWLKMI-OAHLLOKOSA-N 1 0 275.351 4.530 40 30 CJEBRO CCCCCCCCCCCCOC(=[NH2+])N1CCCC1 ZINC000104364707 520011096 /nfs/dbraw/zinc/01/10/96/520011096.db2.gz DQJVNSCSRBHECN-UHFFFAOYSA-N 1 0 282.472 4.954 40 30 CJEBRO C/C=C(C)/C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C ZINC000104364725 567916852 /nfs/dbraw/zinc/91/68/52/567916852.db2.gz WANSQMUKDVJCHC-BERLUNJMSA-N 1 0 271.191 4.551 40 30 CJEBRO CC[C@@H](C)/C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C ZINC000104364751 567916824 /nfs/dbraw/zinc/91/68/24/567916824.db2.gz YETCOPHNOQIHKS-FWNMULTISA-N 1 0 273.207 4.631 40 30 CJEBRO CC[C@H](C)/C(=[NH+]/c1ccc(Cl)c(Cl)c1)N(C)C ZINC000104364754 567916823 /nfs/dbraw/zinc/91/68/23/567916823.db2.gz YETCOPHNOQIHKS-PCWCKFBZSA-N 1 0 273.207 4.631 40 30 CJEBRO CCCCCCCCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000104373951 567916783 /nfs/dbraw/zinc/91/67/83/567916783.db2.gz AGGDRMGJUVISTO-QGFMHUBQSA-N 1 0 275.480 4.881 40 30 CJEBRO CCCCCCCCCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000104373953 567916803 /nfs/dbraw/zinc/91/68/03/567916803.db2.gz AGGDRMGJUVISTO-RDGPPVDQSA-N 1 0 275.480 4.881 40 30 CJEBRO CCCCCCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000105342739 528131260 /nfs/dbraw/zinc/13/12/60/528131260.db2.gz WGNRRUCJJPIGIG-UHFFFAOYSA-N 1 0 288.479 4.737 40 30 CJEBRO CCCCN1CCCC1=[NH+]c1ccc(Cl)c(Cl)c1 ZINC000255987799 328126145 /nfs/dbraw/zinc/12/61/45/328126145.db2.gz MKSYSNRVVYYBIZ-UHFFFAOYSA-N 1 0 285.218 4.919 40 30 CJEBRO