smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675190 719441634 /nfs/dbraw/zinc/44/16/34/719441634.db2.gz ZMXNDFCLNPVMDT-ZWKOTPCHSA-N 2 2 427.618 3.075 20 0 IGADLP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675190 719441638 /nfs/dbraw/zinc/44/16/38/719441638.db2.gz ZMXNDFCLNPVMDT-ZWKOTPCHSA-N 2 2 427.618 3.075 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698401 719893719 /nfs/dbraw/zinc/89/37/19/719893719.db2.gz SHIUBFDEYBMVTP-UHFFFAOYSA-N 2 2 427.574 3.011 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698401 719893721 /nfs/dbraw/zinc/89/37/21/719893721.db2.gz SHIUBFDEYBMVTP-UHFFFAOYSA-N 2 2 427.574 3.011 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2)CC1 ZINC001164707696 719903348 /nfs/dbraw/zinc/90/33/48/719903348.db2.gz VAZIBAQYTYJYJA-UHFFFAOYSA-N 3 2 442.629 3.488 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2)CC1 ZINC001164707696 719903353 /nfs/dbraw/zinc/90/33/53/719903353.db2.gz VAZIBAQYTYJYJA-UHFFFAOYSA-N 3 2 442.629 3.488 20 0 IGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164714158 720128475 /nfs/dbraw/zinc/12/84/75/720128475.db2.gz WMYBDFHKTAEMGC-QFIPXVFZSA-N 2 2 436.604 3.369 20 0 IGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164714158 720128481 /nfs/dbraw/zinc/12/84/81/720128481.db2.gz WMYBDFHKTAEMGC-QFIPXVFZSA-N 2 2 436.604 3.369 20 0 IGADLP Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(C2CCCCC2)[nH+]1 ZINC001164713735 720194384 /nfs/dbraw/zinc/19/43/84/720194384.db2.gz CTXGHVODOVXSFQ-QFIPXVFZSA-N 2 2 439.608 3.177 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758177 720904530 /nfs/dbraw/zinc/90/45/30/720904530.db2.gz XKJOAINHZIDURE-OZXSUGGESA-N 2 2 449.599 3.499 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758177 720904539 /nfs/dbraw/zinc/90/45/39/720904539.db2.gz XKJOAINHZIDURE-OZXSUGGESA-N 2 2 449.599 3.499 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164889456 721415166 /nfs/dbraw/zinc/41/51/66/721415166.db2.gz QRFHNRTVKOXFMU-CJFMBICVSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889456 721415168 /nfs/dbraw/zinc/41/51/68/721415168.db2.gz QRFHNRTVKOXFMU-CJFMBICVSA-N 2 2 440.588 3.017 20 0 IGADLP FC1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913103 721731687 /nfs/dbraw/zinc/73/16/87/721731687.db2.gz SSROITUTCQPGJH-OAQYLSRUSA-N 2 2 446.571 3.163 20 0 IGADLP FC1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913103 721731690 /nfs/dbraw/zinc/73/16/90/721731690.db2.gz SSROITUTCQPGJH-OAQYLSRUSA-N 2 2 446.571 3.163 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752636 720856650 /nfs/dbraw/zinc/85/66/50/720856650.db2.gz TZKMJDSAWQBDKC-SFYKDHMMSA-N 2 2 448.571 3.223 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752636 720856653 /nfs/dbraw/zinc/85/66/53/720856653.db2.gz TZKMJDSAWQBDKC-SFYKDHMMSA-N 2 2 448.571 3.223 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752634 720856984 /nfs/dbraw/zinc/85/69/84/720856984.db2.gz TZKMJDSAWQBDKC-SELNLUPBSA-N 2 2 448.571 3.223 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752634 720856988 /nfs/dbraw/zinc/85/69/88/720856988.db2.gz TZKMJDSAWQBDKC-SELNLUPBSA-N 2 2 448.571 3.223 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758176 720903562 /nfs/dbraw/zinc/90/35/62/720903562.db2.gz XKJOAINHZIDURE-JYFHCDHNSA-N 2 2 449.599 3.499 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758176 720903566 /nfs/dbraw/zinc/90/35/66/720903566.db2.gz XKJOAINHZIDURE-JYFHCDHNSA-N 2 2 449.599 3.499 20 0 IGADLP c1cnn(Cc2c[nH+]c3n2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)c1 ZINC001164861481 721032152 /nfs/dbraw/zinc/03/21/52/721032152.db2.gz HYKFCHQKBFAMGW-UHFFFAOYSA-N 2 2 439.567 3.144 20 0 IGADLP c1cnn(Cc2c[nH+]c3n2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)c1 ZINC001164861481 721032157 /nfs/dbraw/zinc/03/21/57/721032157.db2.gz HYKFCHQKBFAMGW-UHFFFAOYSA-N 2 2 439.567 3.144 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164787706 721447987 /nfs/dbraw/zinc/44/79/87/721447987.db2.gz PYCZNUPQFSCDCP-NRFANRHFSA-N 2 2 429.609 3.093 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164787706 721447990 /nfs/dbraw/zinc/44/79/90/721447990.db2.gz PYCZNUPQFSCDCP-NRFANRHFSA-N 2 2 429.609 3.093 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164789909 721464791 /nfs/dbraw/zinc/46/47/91/721464791.db2.gz YKFFMXVIRZGLQB-OAQYLSRUSA-N 2 2 430.593 3.082 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164789909 721464794 /nfs/dbraw/zinc/46/47/94/721464794.db2.gz YKFFMXVIRZGLQB-OAQYLSRUSA-N 2 2 430.593 3.082 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164935142 721879523 /nfs/dbraw/zinc/87/95/23/721879523.db2.gz WODIYBQGPHYYHD-MOPGFXCFSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164935142 721879524 /nfs/dbraw/zinc/87/95/24/721879524.db2.gz WODIYBQGPHYYHD-MOPGFXCFSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164935142 721879527 /nfs/dbraw/zinc/87/95/27/721879527.db2.gz WODIYBQGPHYYHD-MOPGFXCFSA-N 2 2 430.666 3.365 20 0 IGADLP C(c1nc2sc3c(c2c(N2CC[NH+](C[C@@H]4CCCO4)CC2)n1)CCCC3)[NH+]1CCCC1 ZINC000060846842 721918619 /nfs/dbraw/zinc/91/86/19/721918619.db2.gz AVNOBKUZTQDKMQ-SFHVURJKSA-N 2 2 441.645 3.467 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164976365 722153350 /nfs/dbraw/zinc/15/33/50/722153350.db2.gz WTGSGRYNXYZDEJ-NTKDMRAZSA-N 2 2 434.540 3.374 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164976365 722153351 /nfs/dbraw/zinc/15/33/51/722153351.db2.gz WTGSGRYNXYZDEJ-NTKDMRAZSA-N 2 2 434.540 3.374 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164790555 721448662 /nfs/dbraw/zinc/44/86/62/721448662.db2.gz ZCWHELSFXDETAZ-QFIPXVFZSA-N 2 2 443.636 3.119 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164790555 721448666 /nfs/dbraw/zinc/44/86/66/721448666.db2.gz ZCWHELSFXDETAZ-QFIPXVFZSA-N 2 2 443.636 3.119 20 0 IGADLP FC1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913102 721732106 /nfs/dbraw/zinc/73/21/06/721732106.db2.gz SSROITUTCQPGJH-NRFANRHFSA-N 2 2 446.571 3.163 20 0 IGADLP FC1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913102 721732107 /nfs/dbraw/zinc/73/21/07/721732107.db2.gz SSROITUTCQPGJH-NRFANRHFSA-N 2 2 446.571 3.163 20 0 IGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164941046 721923514 /nfs/dbraw/zinc/92/35/14/721923514.db2.gz ZQNAEVPTTFEOLB-UHFFFAOYSA-N 2 2 449.555 3.314 20 0 IGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164941046 721923517 /nfs/dbraw/zinc/92/35/17/721923517.db2.gz ZQNAEVPTTFEOLB-UHFFFAOYSA-N 2 2 449.555 3.314 20 0 IGADLP COc1ccc(C)[nH+]c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680504 719667879 /nfs/dbraw/zinc/66/78/79/719667879.db2.gz GROWDDUIJPWDDO-FQEVSTJZSA-N 2 2 436.600 3.492 20 0 IGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1 ZINC001164694520 719810910 /nfs/dbraw/zinc/81/09/10/719810910.db2.gz ZHNMKXZMEKOVTQ-UHFFFAOYSA-N 3 2 426.634 3.233 20 0 IGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1 ZINC001164694520 719810911 /nfs/dbraw/zinc/81/09/11/719810911.db2.gz ZHNMKXZMEKOVTQ-UHFFFAOYSA-N 3 2 426.634 3.233 20 0 IGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001164694520 719810912 /nfs/dbraw/zinc/81/09/12/719810912.db2.gz ZHNMKXZMEKOVTQ-UHFFFAOYSA-N 2 2 426.634 3.233 20 0 IGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001164694520 719810913 /nfs/dbraw/zinc/81/09/13/719810913.db2.gz ZHNMKXZMEKOVTQ-UHFFFAOYSA-N 2 2 426.634 3.233 20 0 IGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164713600 720140837 /nfs/dbraw/zinc/14/08/37/720140837.db2.gz SNJFJWQQZAOIHS-QFIPXVFZSA-N 2 2 436.604 3.369 20 0 IGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164713600 720140842 /nfs/dbraw/zinc/14/08/42/720140842.db2.gz SNJFJWQQZAOIHS-QFIPXVFZSA-N 2 2 436.604 3.369 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164836438 720721017 /nfs/dbraw/zinc/72/10/17/720721017.db2.gz AKAWSSLYEWEWCY-OAQYLSRUSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164836438 720721025 /nfs/dbraw/zinc/72/10/25/720721025.db2.gz AKAWSSLYEWEWCY-OAQYLSRUSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164836438 720721032 /nfs/dbraw/zinc/72/10/32/720721032.db2.gz AKAWSSLYEWEWCY-OAQYLSRUSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164836438 720721044 /nfs/dbraw/zinc/72/10/44/720721044.db2.gz AKAWSSLYEWEWCY-OAQYLSRUSA-N 2 2 439.629 3.290 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745149 720839114 /nfs/dbraw/zinc/83/91/14/720839114.db2.gz LPZCGPISDCCOBH-YPAWHYETSA-N 2 2 438.624 3.074 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745149 720839116 /nfs/dbraw/zinc/83/91/16/720839116.db2.gz LPZCGPISDCCOBH-YPAWHYETSA-N 2 2 438.624 3.074 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1F ZINC001164744696 720858570 /nfs/dbraw/zinc/85/85/70/720858570.db2.gz CFGHZSZCAPEJGJ-WOIUINJBSA-N 2 2 436.535 3.353 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1F ZINC001164744696 720858571 /nfs/dbraw/zinc/85/85/71/720858571.db2.gz CFGHZSZCAPEJGJ-WOIUINJBSA-N 2 2 436.535 3.353 20 0 IGADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747180 720867251 /nfs/dbraw/zinc/86/72/51/720867251.db2.gz AIBYVNLISMTSTQ-ZEQKJWHPSA-N 2 2 448.615 3.227 20 0 IGADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747180 720867253 /nfs/dbraw/zinc/86/72/53/720867253.db2.gz AIBYVNLISMTSTQ-ZEQKJWHPSA-N 2 2 448.615 3.227 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765008 721146329 /nfs/dbraw/zinc/14/63/29/721146329.db2.gz IRDOFSJKPGTMOC-YADHBBJMSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765008 721146336 /nfs/dbraw/zinc/14/63/36/721146336.db2.gz IRDOFSJKPGTMOC-YADHBBJMSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765001 721146882 /nfs/dbraw/zinc/14/68/82/721146882.db2.gz IRDOFSJKPGTMOC-VXKWHMMOSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765001 721146885 /nfs/dbraw/zinc/14/68/85/721146885.db2.gz IRDOFSJKPGTMOC-VXKWHMMOSA-N 2 2 427.556 3.171 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164789904 721464752 /nfs/dbraw/zinc/46/47/52/721464752.db2.gz YKFFMXVIRZGLQB-NRFANRHFSA-N 2 2 430.593 3.082 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164789904 721464756 /nfs/dbraw/zinc/46/47/56/721464756.db2.gz YKFFMXVIRZGLQB-NRFANRHFSA-N 2 2 430.593 3.082 20 0 IGADLP CNC(=O)N[C@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)c2ccc(C)cc21 ZINC001164897141 721492425 /nfs/dbraw/zinc/49/24/25/721492425.db2.gz BSWLFGDBJJBCED-QFIPXVFZSA-N 2 2 448.615 3.054 20 0 IGADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001165011766 721699942 /nfs/dbraw/zinc/69/99/42/721699942.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 2 2 445.615 3.482 20 0 IGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001165011766 721699943 /nfs/dbraw/zinc/69/99/43/721699943.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 2 2 445.615 3.482 20 0 IGADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165011766 721699944 /nfs/dbraw/zinc/69/99/44/721699944.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 2 2 445.615 3.482 20 0 IGADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165011766 721699945 /nfs/dbraw/zinc/69/99/45/721699945.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 2 2 445.615 3.482 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164935147 721879655 /nfs/dbraw/zinc/87/96/55/721879655.db2.gz WODIYBQGPHYYHD-RBUKOAKNSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164935147 721879656 /nfs/dbraw/zinc/87/96/56/721879656.db2.gz WODIYBQGPHYYHD-RBUKOAKNSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164935147 721879658 /nfs/dbraw/zinc/87/96/58/721879658.db2.gz WODIYBQGPHYYHD-RBUKOAKNSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2cc(C)n3S(=O)(=O)c2ccccc2)CC1 ZINC001165054360 722001357 /nfs/dbraw/zinc/00/13/57/722001357.db2.gz ZNRIQHPKHIBQHV-UHFFFAOYSA-N 2 2 427.574 3.287 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1C ZINC001164448954 719000311 /nfs/dbraw/zinc/00/03/11/719000311.db2.gz KMKPWAXKCWKIJZ-HZPDHXFCSA-N 2 2 429.590 3.103 20 0 IGADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164663455 719347053 /nfs/dbraw/zinc/34/70/53/719347053.db2.gz HHPAKMPMIXVLRI-UHFFFAOYSA-N 2 2 428.584 3.422 20 0 IGADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164663455 719347055 /nfs/dbraw/zinc/34/70/55/719347055.db2.gz HHPAKMPMIXVLRI-UHFFFAOYSA-N 2 2 428.584 3.422 20 0 IGADLP c1cn(Cc2noc3c2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)c[nH+]1 ZINC001164678404 719563394 /nfs/dbraw/zinc/56/33/94/719563394.db2.gz YDTHPHSXPMAHOE-UHFFFAOYSA-N 2 2 426.524 3.435 20 0 IGADLP c1cn(Cc2noc3c2CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)c[nH+]1 ZINC001164678404 719563401 /nfs/dbraw/zinc/56/34/01/719563401.db2.gz YDTHPHSXPMAHOE-UHFFFAOYSA-N 2 2 426.524 3.435 20 0 IGADLP Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c2c([nH+]1)CCC2 ZINC001164681802 719675641 /nfs/dbraw/zinc/67/56/41/719675641.db2.gz NRKIISJFUCCJLD-FQEVSTJZSA-N 2 2 447.627 3.367 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164836437 720720421 /nfs/dbraw/zinc/72/04/21/720720421.db2.gz AKAWSSLYEWEWCY-NRFANRHFSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164836437 720720435 /nfs/dbraw/zinc/72/04/35/720720435.db2.gz AKAWSSLYEWEWCY-NRFANRHFSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164836437 720720441 /nfs/dbraw/zinc/72/04/41/720720441.db2.gz AKAWSSLYEWEWCY-NRFANRHFSA-N 2 2 439.629 3.290 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164836437 720720448 /nfs/dbraw/zinc/72/04/48/720720448.db2.gz AKAWSSLYEWEWCY-NRFANRHFSA-N 2 2 439.629 3.290 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747422 720868236 /nfs/dbraw/zinc/86/82/36/720868236.db2.gz BQKFUOIDCAFZGS-RDGATRHJSA-N 2 2 436.604 3.083 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747422 720868240 /nfs/dbraw/zinc/86/82/40/720868240.db2.gz BQKFUOIDCAFZGS-RDGATRHJSA-N 2 2 436.604 3.083 20 0 IGADLP c1csc(C[NH+]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164790756 721406377 /nfs/dbraw/zinc/40/63/77/721406377.db2.gz XXKGSOCSHZSLIY-PMACEKPBSA-N 2 2 432.597 3.060 20 0 IGADLP c1csc(C[NH+]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164790756 721406381 /nfs/dbraw/zinc/40/63/81/721406381.db2.gz XXKGSOCSHZSLIY-PMACEKPBSA-N 2 2 432.597 3.060 20 0 IGADLP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001165052349 722000854 /nfs/dbraw/zinc/00/08/54/722000854.db2.gz QFHNCXLZZKRPGH-UHFFFAOYSA-N 2 2 427.574 3.287 20 0 IGADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@@H]4c3ccccc3)[nH+]2)CC1 ZINC001164999499 722221566 /nfs/dbraw/zinc/22/15/66/722221566.db2.gz SIPCYEFPZHAJCN-RUZDIDTESA-N 2 2 445.611 3.414 20 0 IGADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@@H]3C2)cc1 ZINC001164621867 719096456 /nfs/dbraw/zinc/09/64/56/719096456.db2.gz BIWYZKFHAUSSSX-FGZHOGPDSA-N 2 2 433.604 3.173 20 0 IGADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@@H]3C2)cc1 ZINC001164621867 719096458 /nfs/dbraw/zinc/09/64/58/719096458.db2.gz BIWYZKFHAUSSSX-FGZHOGPDSA-N 2 2 433.604 3.173 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc[nH+]1 ZINC001164833382 720328980 /nfs/dbraw/zinc/32/89/80/720328980.db2.gz WKKRDPFHKXSXAR-RTWAWAEBSA-N 2 2 428.625 3.015 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]cn1 ZINC001164833382 720328985 /nfs/dbraw/zinc/32/89/85/720328985.db2.gz WKKRDPFHKXSXAR-RTWAWAEBSA-N 2 2 428.625 3.015 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164842035 720698885 /nfs/dbraw/zinc/69/88/85/720698885.db2.gz LFRMUJFHFLUBLB-HSZRJFAPSA-N 3 2 435.616 3.093 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164842035 720698893 /nfs/dbraw/zinc/69/88/93/720698893.db2.gz LFRMUJFHFLUBLB-HSZRJFAPSA-N 3 2 435.616 3.093 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164753427 720868144 /nfs/dbraw/zinc/86/81/44/720868144.db2.gz PMUOJZHWFVZNOO-BWKNWUBXSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164753427 720868147 /nfs/dbraw/zinc/86/81/47/720868147.db2.gz PMUOJZHWFVZNOO-BWKNWUBXSA-N 2 2 432.572 3.416 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc2cc1OC ZINC001164893137 721439060 /nfs/dbraw/zinc/43/90/60/721439060.db2.gz JIINMAFCRAOURH-BWKNWUBXSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)cc2cc1OC ZINC001164893137 721439062 /nfs/dbraw/zinc/43/90/62/721439062.db2.gz JIINMAFCRAOURH-BWKNWUBXSA-N 2 2 440.588 3.017 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164418226 718896540 /nfs/dbraw/zinc/89/65/40/718896540.db2.gz CENXSPGMWQYVKH-OYHNWAKOSA-N 2 2 429.590 3.090 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2c1C ZINC001164448955 719000563 /nfs/dbraw/zinc/00/05/63/719000563.db2.gz KMKPWAXKCWKIJZ-JKSUJKDBSA-N 2 2 429.590 3.103 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164667892 719442969 /nfs/dbraw/zinc/44/29/69/719442969.db2.gz IEABGVWDSJKXAJ-NZSAHSFTSA-N 2 2 441.645 3.321 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)c23)C1 ZINC001164667892 719442981 /nfs/dbraw/zinc/44/29/81/719442981.db2.gz IEABGVWDSJKXAJ-NZSAHSFTSA-N 2 2 441.645 3.321 20 0 IGADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)cc(Cl)[nH+]3)CC2)c2ccccc21 ZINC001164681663 719664775 /nfs/dbraw/zinc/66/47/75/719664775.db2.gz PQNHLMJGZWTDKL-QGZVFWFLSA-N 2 2 442.007 3.411 20 0 IGADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680852 719675233 /nfs/dbraw/zinc/67/52/33/719675233.db2.gz IBSXXYZOWSWBKD-FQEVSTJZSA-N 2 2 436.600 3.492 20 0 IGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812332 720084127 /nfs/dbraw/zinc/08/41/27/720084127.db2.gz QPKQWOZEHXLTPE-KCWPFWIISA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812332 720084134 /nfs/dbraw/zinc/08/41/34/720084134.db2.gz QPKQWOZEHXLTPE-KCWPFWIISA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164812332 720084141 /nfs/dbraw/zinc/08/41/41/720084141.db2.gz QPKQWOZEHXLTPE-KCWPFWIISA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164812332 720084150 /nfs/dbraw/zinc/08/41/50/720084150.db2.gz QPKQWOZEHXLTPE-KCWPFWIISA-N 2 2 447.627 3.220 20 0 IGADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCC[C@H]5C(N)=O)nc[nH+]4)CC3)CC2)cc1 ZINC001164758819 721046785 /nfs/dbraw/zinc/04/67/85/721046785.db2.gz BVLFEBLTKLQSGR-QFIPXVFZSA-N 2 2 448.615 3.122 20 0 IGADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCC[C@H]5C(N)=O)[nH+]cn4)CC3)CC2)cc1 ZINC001164758819 721046796 /nfs/dbraw/zinc/04/67/96/721046796.db2.gz BVLFEBLTKLQSGR-QFIPXVFZSA-N 2 2 448.615 3.122 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164787985 721466676 /nfs/dbraw/zinc/46/66/76/721466676.db2.gz HIZRRQFFVLEIKZ-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164787985 721466680 /nfs/dbraw/zinc/46/66/80/721466680.db2.gz HIZRRQFFVLEIKZ-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164787985 721466686 /nfs/dbraw/zinc/46/66/86/721466686.db2.gz HIZRRQFFVLEIKZ-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164787985 721466690 /nfs/dbraw/zinc/46/66/90/721466690.db2.gz HIZRRQFFVLEIKZ-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP O=C(c1cccnc1N1CCCC[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164419992 718892708 /nfs/dbraw/zinc/89/27/08/718892708.db2.gz SRGOVMHJGDOZHK-VWLOTQADSA-N 2 2 447.627 3.398 20 0 IGADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC001164621872 719095968 /nfs/dbraw/zinc/09/59/68/719095968.db2.gz BIWYZKFHAUSSSX-VXKWHMMOSA-N 2 2 433.604 3.173 20 0 IGADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC001164621872 719095976 /nfs/dbraw/zinc/09/59/76/719095976.db2.gz BIWYZKFHAUSSSX-VXKWHMMOSA-N 2 2 433.604 3.173 20 0 IGADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164665979 719356620 /nfs/dbraw/zinc/35/66/20/719356620.db2.gz ZNMAUZVDGIRMEO-UHFFFAOYSA-N 2 2 443.599 3.167 20 0 IGADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164665979 719356622 /nfs/dbraw/zinc/35/66/22/719356622.db2.gz ZNMAUZVDGIRMEO-UHFFFAOYSA-N 2 2 443.599 3.167 20 0 IGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812334 720083540 /nfs/dbraw/zinc/08/35/40/720083540.db2.gz QPKQWOZEHXLTPE-WNCULLNHSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812334 720083554 /nfs/dbraw/zinc/08/35/54/720083554.db2.gz QPKQWOZEHXLTPE-WNCULLNHSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164812334 720083562 /nfs/dbraw/zinc/08/35/62/720083562.db2.gz QPKQWOZEHXLTPE-WNCULLNHSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164812334 720083573 /nfs/dbraw/zinc/08/35/73/720083573.db2.gz QPKQWOZEHXLTPE-WNCULLNHSA-N 2 2 447.627 3.220 20 0 IGADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC001164858607 720896787 /nfs/dbraw/zinc/89/67/87/720896787.db2.gz MLTFKRKRLSSBBM-QFIPXVFZSA-N 2 2 447.587 3.230 20 0 IGADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC001164858607 720896789 /nfs/dbraw/zinc/89/67/89/720896789.db2.gz MLTFKRKRLSSBBM-QFIPXVFZSA-N 2 2 447.587 3.230 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(NC(C)C)c(C)c[nH+]3)C2)C1 ZINC001164777370 721330356 /nfs/dbraw/zinc/33/03/56/721330356.db2.gz MMFUWBJQYFPCFY-QHCPKHFHSA-N 2 2 428.581 3.329 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(NC(C)C)c(C)c[nH+]3)C2)C1 ZINC001164777370 721330360 /nfs/dbraw/zinc/33/03/60/721330360.db2.gz MMFUWBJQYFPCFY-QHCPKHFHSA-N 2 2 428.581 3.329 20 0 IGADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890596 721417996 /nfs/dbraw/zinc/41/79/96/721417996.db2.gz UCDPNPYSNFQCES-QPPBQGQZSA-N 2 2 448.055 3.096 20 0 IGADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890596 721418000 /nfs/dbraw/zinc/41/80/00/721418000.db2.gz UCDPNPYSNFQCES-QPPBQGQZSA-N 2 2 448.055 3.096 20 0 IGADLP CCc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164909556 721758331 /nfs/dbraw/zinc/75/83/31/721758331.db2.gz HVXSWCWMOJCYRF-UHFFFAOYSA-N 2 2 448.571 3.058 20 0 IGADLP CCc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164909556 721758337 /nfs/dbraw/zinc/75/83/37/721758337.db2.gz HVXSWCWMOJCYRF-UHFFFAOYSA-N 2 2 448.571 3.058 20 0 IGADLP C(c1nc2sc3c(c2c(N2CC[NH+](C[C@H]4CCCO4)CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001165039599 721918468 /nfs/dbraw/zinc/91/84/68/721918468.db2.gz UEBVNSXPUNQHND-GOSISDBHSA-N 2 2 441.645 3.467 20 0 IGADLP Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c(C)[nH+]1 ZINC001164681520 719680416 /nfs/dbraw/zinc/68/04/16/719680416.db2.gz MJTDSCCGWREBNJ-NRFANRHFSA-N 2 2 435.616 3.495 20 0 IGADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)CC2 ZINC001164690297 719740513 /nfs/dbraw/zinc/74/05/13/719740513.db2.gz YVRCRHWSCIVWMT-UHFFFAOYSA-N 2 2 446.599 3.277 20 0 IGADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)CC2 ZINC001164690297 719740522 /nfs/dbraw/zinc/74/05/22/719740522.db2.gz YVRCRHWSCIVWMT-UHFFFAOYSA-N 2 2 446.599 3.277 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747414 720868535 /nfs/dbraw/zinc/86/85/35/720868535.db2.gz BQKFUOIDCAFZGS-DHLKQENFSA-N 2 2 436.604 3.083 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747414 720868537 /nfs/dbraw/zinc/86/85/37/720868537.db2.gz BQKFUOIDCAFZGS-DHLKQENFSA-N 2 2 436.604 3.083 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164762681 721144342 /nfs/dbraw/zinc/14/43/42/721144342.db2.gz DECTXKAMWMSLSX-NHCUHLMSSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164762681 721144355 /nfs/dbraw/zinc/14/43/55/721144355.db2.gz DECTXKAMWMSLSX-NHCUHLMSSA-N 2 2 445.546 3.311 20 0 IGADLP C[NH+]1CCN(c2cccc(N3CCC4(CCC(CC(=O)N5CC=CC5)CC4)CC3)[nH+]2)CC1 ZINC001164775999 721328810 /nfs/dbraw/zinc/32/88/10/721328810.db2.gz BMBMPRGWZDAYBU-UHFFFAOYSA-N 2 2 437.632 3.399 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907244 721563478 /nfs/dbraw/zinc/56/34/78/721563478.db2.gz NAQTXXZHAJKHKS-CVDCTZTESA-N 3 2 426.536 3.036 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907244 721563483 /nfs/dbraw/zinc/56/34/83/721563483.db2.gz NAQTXXZHAJKHKS-CVDCTZTESA-N 3 2 426.536 3.036 20 0 IGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCSCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164940724 721932788 /nfs/dbraw/zinc/93/27/88/721932788.db2.gz YWDIWHIDFXQXDP-UHFFFAOYSA-N 2 2 439.629 3.210 20 0 IGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCSCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164940724 721932789 /nfs/dbraw/zinc/93/27/89/721932789.db2.gz YWDIWHIDFXQXDP-UHFFFAOYSA-N 2 2 439.629 3.210 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC(F)(C[NH3+])CC3)c2c1C ZINC001164387312 718813405 /nfs/dbraw/zinc/81/34/05/718813405.db2.gz FMRRESUBUDONEF-UHFFFAOYSA-N 2 2 449.596 3.430 20 0 IGADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164664626 719357731 /nfs/dbraw/zinc/35/77/31/719357731.db2.gz PTDNFBVYKDPOJE-HSZRJFAPSA-N 2 2 445.011 3.445 20 0 IGADLP CN(C)c1nc(N2CCOC[C@]3(CCC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164664626 719357732 /nfs/dbraw/zinc/35/77/32/719357732.db2.gz PTDNFBVYKDPOJE-HSZRJFAPSA-N 2 2 445.011 3.445 20 0 IGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164713599 720140368 /nfs/dbraw/zinc/14/03/68/720140368.db2.gz SNJFJWQQZAOIHS-JOCHJYFZSA-N 2 2 436.604 3.369 20 0 IGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164713599 720140372 /nfs/dbraw/zinc/14/03/72/720140372.db2.gz SNJFJWQQZAOIHS-JOCHJYFZSA-N 2 2 436.604 3.369 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164841405 720559993 /nfs/dbraw/zinc/55/99/93/720559993.db2.gz UYFGIQPXUSSKHK-QHAWAJNXSA-N 2 2 425.577 3.449 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164841405 720560018 /nfs/dbraw/zinc/56/00/18/720560018.db2.gz UYFGIQPXUSSKHK-QHAWAJNXSA-N 2 2 425.577 3.449 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164777718 721335443 /nfs/dbraw/zinc/33/54/43/721335443.db2.gz PRXJPUPCPGRJNI-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164777718 721335446 /nfs/dbraw/zinc/33/54/46/721335446.db2.gz PRXJPUPCPGRJNI-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164777718 721335450 /nfs/dbraw/zinc/33/54/50/721335450.db2.gz PRXJPUPCPGRJNI-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164777718 721335452 /nfs/dbraw/zinc/33/54/52/721335452.db2.gz PRXJPUPCPGRJNI-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1 ZINC001164780316 721357557 /nfs/dbraw/zinc/35/75/57/721357557.db2.gz GAWBZURKAMBYBR-XMMPIXPASA-N 2 2 440.592 3.191 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1 ZINC001164780316 721357562 /nfs/dbraw/zinc/35/75/62/721357562.db2.gz GAWBZURKAMBYBR-XMMPIXPASA-N 2 2 440.592 3.191 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH+]cc21 ZINC001164801182 721573829 /nfs/dbraw/zinc/57/38/29/721573829.db2.gz GJQIXASIRQKTNE-FUPPJEDESA-N 2 2 435.528 3.003 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH+]cc21 ZINC001164801182 721573831 /nfs/dbraw/zinc/57/38/31/721573831.db2.gz GJQIXASIRQKTNE-FUPPJEDESA-N 2 2 435.528 3.003 20 0 IGADLP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056275 722020968 /nfs/dbraw/zinc/02/09/68/722020968.db2.gz OLPYVWOMJSKDFB-UHFFFAOYSA-N 2 2 433.934 3.416 20 0 IGADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)c(N)[nH+]3)CC2)c2ccccc21 ZINC001164681795 719682501 /nfs/dbraw/zinc/68/25/01/719682501.db2.gz AIKUYGIGNKVQPX-KRWDZBQOSA-N 2 2 442.007 3.411 20 0 IGADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)[nH+]1)CC2 ZINC001164689888 719737904 /nfs/dbraw/zinc/73/79/04/719737904.db2.gz NSZSLBKGADHYIN-UHFFFAOYSA-N 2 2 436.556 3.024 20 0 IGADLP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)[nH+]1)CC2 ZINC001164689888 719737912 /nfs/dbraw/zinc/73/79/12/719737912.db2.gz NSZSLBKGADHYIN-UHFFFAOYSA-N 2 2 436.556 3.024 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829582 720351712 /nfs/dbraw/zinc/35/17/12/720351712.db2.gz SPFOBNAUFNPSBU-YADHBBJMSA-N 2 2 438.572 3.164 20 0 IGADLP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@@H]2C1 ZINC001164855169 720871807 /nfs/dbraw/zinc/87/18/07/720871807.db2.gz GKIJYKAOPJARAD-GGAORHGYSA-N 2 2 439.556 3.017 20 0 IGADLP COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@@H]2C1 ZINC001164855169 720871808 /nfs/dbraw/zinc/87/18/08/720871808.db2.gz GKIJYKAOPJARAD-GGAORHGYSA-N 2 2 439.556 3.017 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758175 720903100 /nfs/dbraw/zinc/90/31/00/720903100.db2.gz XKJOAINHZIDURE-BVAGGSTKSA-N 2 2 449.599 3.499 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758175 720903106 /nfs/dbraw/zinc/90/31/06/720903106.db2.gz XKJOAINHZIDURE-BVAGGSTKSA-N 2 2 449.599 3.499 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)C1 ZINC001164782274 721365893 /nfs/dbraw/zinc/36/58/93/721365893.db2.gz MDKAMBFTKOEEQH-XMMPIXPASA-N 2 2 440.592 3.191 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)C1 ZINC001164782274 721365898 /nfs/dbraw/zinc/36/58/98/721365898.db2.gz MDKAMBFTKOEEQH-XMMPIXPASA-N 2 2 440.592 3.191 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164889458 721415444 /nfs/dbraw/zinc/41/54/44/721415444.db2.gz QRFHNRTVKOXFMU-NBGIEHNGSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889458 721415446 /nfs/dbraw/zinc/41/54/46/721415446.db2.gz QRFHNRTVKOXFMU-NBGIEHNGSA-N 2 2 440.588 3.017 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164783677 721447640 /nfs/dbraw/zinc/44/76/40/721447640.db2.gz CPABGGFRLPFGBU-JOCHJYFZSA-N 2 2 443.636 3.341 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164783677 721447643 /nfs/dbraw/zinc/44/76/43/721447643.db2.gz CPABGGFRLPFGBU-JOCHJYFZSA-N 2 2 443.636 3.341 20 0 IGADLP Clc1ccc(C[NH+]2CCCC2)c(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)n1 ZINC001165015542 721767033 /nfs/dbraw/zinc/76/70/33/721767033.db2.gz QTDVPZSMQRLJSX-UHFFFAOYSA-N 2 2 438.967 3.149 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164935145 721879544 /nfs/dbraw/zinc/87/95/44/721879544.db2.gz WODIYBQGPHYYHD-OALUTQOASA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164935145 721879546 /nfs/dbraw/zinc/87/95/46/721879546.db2.gz WODIYBQGPHYYHD-OALUTQOASA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164935145 721879548 /nfs/dbraw/zinc/87/95/48/721879548.db2.gz WODIYBQGPHYYHD-OALUTQOASA-N 2 2 430.666 3.365 20 0 IGADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cl)c(N)[nH+]3)CC2)c2ccccc21 ZINC001164681800 719682953 /nfs/dbraw/zinc/68/29/53/719682953.db2.gz AIKUYGIGNKVQPX-QGZVFWFLSA-N 2 2 442.007 3.411 20 0 IGADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692028 719810419 /nfs/dbraw/zinc/81/04/19/719810419.db2.gz FFLDLLMKLAJLMY-UHFFFAOYSA-N 2 2 426.546 3.144 20 0 IGADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692028 719810420 /nfs/dbraw/zinc/81/04/20/719810420.db2.gz FFLDLLMKLAJLMY-UHFFFAOYSA-N 2 2 426.546 3.144 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745148 720838903 /nfs/dbraw/zinc/83/89/03/720838903.db2.gz LPZCGPISDCCOBH-FDFHNCONSA-N 2 2 438.624 3.074 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745148 720838904 /nfs/dbraw/zinc/83/89/04/720838904.db2.gz LPZCGPISDCCOBH-FDFHNCONSA-N 2 2 438.624 3.074 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745147 720839051 /nfs/dbraw/zinc/83/90/51/720839051.db2.gz LPZCGPISDCCOBH-BHIFYINESA-N 2 2 438.624 3.074 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745147 720839053 /nfs/dbraw/zinc/83/90/53/720839053.db2.gz LPZCGPISDCCOBH-BHIFYINESA-N 2 2 438.624 3.074 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164753433 720868091 /nfs/dbraw/zinc/86/80/91/720868091.db2.gz PMUOJZHWFVZNOO-PXDATVDWSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164753433 720868093 /nfs/dbraw/zinc/86/80/93/720868093.db2.gz PMUOJZHWFVZNOO-PXDATVDWSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758164 720901964 /nfs/dbraw/zinc/90/19/64/720901964.db2.gz XIFHYUVPSDUEEK-BKMJKUGQSA-N 2 2 433.600 3.424 20 0 IGADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758164 720901977 /nfs/dbraw/zinc/90/19/77/720901977.db2.gz XIFHYUVPSDUEEK-BKMJKUGQSA-N 2 2 433.600 3.424 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164762685 721144857 /nfs/dbraw/zinc/14/48/57/721144857.db2.gz DECTXKAMWMSLSX-RTWAWAEBSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164762685 721144863 /nfs/dbraw/zinc/14/48/63/721144863.db2.gz DECTXKAMWMSLSX-RTWAWAEBSA-N 2 2 445.546 3.311 20 0 IGADLP c1csc(C[N@H+]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790755 721406161 /nfs/dbraw/zinc/40/61/61/721406161.db2.gz XXKGSOCSHZSLIY-BGYRXZFFSA-N 2 2 432.597 3.060 20 0 IGADLP c1csc(C[N@@H+]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790755 721406165 /nfs/dbraw/zinc/40/61/65/721406165.db2.gz XXKGSOCSHZSLIY-BGYRXZFFSA-N 2 2 432.597 3.060 20 0 IGADLP c1csc(C[NH+]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790755 721406167 /nfs/dbraw/zinc/40/61/67/721406167.db2.gz XXKGSOCSHZSLIY-BGYRXZFFSA-N 2 2 432.597 3.060 20 0 IGADLP c1csc(C[NH+]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790755 721406172 /nfs/dbraw/zinc/40/61/72/721406172.db2.gz XXKGSOCSHZSLIY-BGYRXZFFSA-N 2 2 432.597 3.060 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164790385 721447828 /nfs/dbraw/zinc/44/78/28/721447828.db2.gz YRDZMCJLAMBZBU-OAQYLSRUSA-N 2 2 431.625 3.339 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164790385 721447830 /nfs/dbraw/zinc/44/78/30/721447830.db2.gz YRDZMCJLAMBZBU-OAQYLSRUSA-N 2 2 431.625 3.339 20 0 IGADLP Cc1cncc(COCc2cnc3n2CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)[C@H]3C)c1 ZINC001164962826 722063184 /nfs/dbraw/zinc/06/31/84/722063184.db2.gz AHAHEDOWWSDYBN-FQEVSTJZSA-N 2 2 447.587 3.031 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164412554 718876056 /nfs/dbraw/zinc/87/60/56/718876056.db2.gz WQEOGTAKORDIJH-CVEARBPZSA-N 2 2 429.590 3.103 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164418228 718896450 /nfs/dbraw/zinc/89/64/50/718896450.db2.gz CENXSPGMWQYVKH-QRQCRPRQSA-N 2 2 429.590 3.090 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164448952 719000756 /nfs/dbraw/zinc/00/07/56/719000756.db2.gz KMKPWAXKCWKIJZ-CVEARBPZSA-N 2 2 429.590 3.103 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694396 719809776 /nfs/dbraw/zinc/80/97/76/719809776.db2.gz WWZORPNJBNVZIZ-UHFFFAOYSA-N 2 2 426.590 3.478 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694396 719809777 /nfs/dbraw/zinc/80/97/77/719809777.db2.gz WWZORPNJBNVZIZ-UHFFFAOYSA-N 2 2 426.590 3.478 20 0 IGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164696128 719888826 /nfs/dbraw/zinc/88/88/26/719888826.db2.gz YPVWSMILACMCCP-UHFFFAOYSA-N 2 2 441.557 3.068 20 0 IGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164696128 719888829 /nfs/dbraw/zinc/88/88/29/719888829.db2.gz YPVWSMILACMCCP-UHFFFAOYSA-N 2 2 441.557 3.068 20 0 IGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812337 720083172 /nfs/dbraw/zinc/08/31/72/720083172.db2.gz QPKQWOZEHXLTPE-YIXXDRMTSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812337 720083179 /nfs/dbraw/zinc/08/31/79/720083179.db2.gz QPKQWOZEHXLTPE-YIXXDRMTSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164812337 720083183 /nfs/dbraw/zinc/08/31/83/720083183.db2.gz QPKQWOZEHXLTPE-YIXXDRMTSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164812337 720083188 /nfs/dbraw/zinc/08/31/88/720083188.db2.gz QPKQWOZEHXLTPE-YIXXDRMTSA-N 2 2 447.627 3.220 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831625 720352689 /nfs/dbraw/zinc/35/26/89/720352689.db2.gz ZFUXWVGYZKZCOG-RTWAWAEBSA-N 2 2 426.536 3.294 20 0 IGADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747177 720867277 /nfs/dbraw/zinc/86/72/77/720867277.db2.gz AIBYVNLISMTSTQ-OZXSUGGESA-N 2 2 448.615 3.227 20 0 IGADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747177 720867278 /nfs/dbraw/zinc/86/72/78/720867278.db2.gz AIBYVNLISMTSTQ-OZXSUGGESA-N 2 2 448.615 3.227 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763413 721149425 /nfs/dbraw/zinc/14/94/25/721149425.db2.gz FORHUWCEGOCSSD-SFTDATJTSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763413 721149429 /nfs/dbraw/zinc/14/94/29/721149429.db2.gz FORHUWCEGOCSSD-SFTDATJTSA-N 2 2 445.546 3.311 20 0 IGADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890597 721418226 /nfs/dbraw/zinc/41/82/26/721418226.db2.gz UCDPNPYSNFQCES-URXFXBBRSA-N 2 2 448.055 3.096 20 0 IGADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890597 721418230 /nfs/dbraw/zinc/41/82/30/721418230.db2.gz UCDPNPYSNFQCES-URXFXBBRSA-N 2 2 448.055 3.096 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164977098 722153216 /nfs/dbraw/zinc/15/32/16/722153216.db2.gz WTGSGRYNXYZDEJ-YADARESESA-N 2 2 434.540 3.374 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164977098 722153219 /nfs/dbraw/zinc/15/32/19/722153219.db2.gz WTGSGRYNXYZDEJ-YADARESESA-N 2 2 434.540 3.374 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976358 722153455 /nfs/dbraw/zinc/15/34/55/722153455.db2.gz WTGSGRYNXYZDEJ-CYFREDJKSA-N 2 2 434.540 3.374 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976358 722153458 /nfs/dbraw/zinc/15/34/58/722153458.db2.gz WTGSGRYNXYZDEJ-CYFREDJKSA-N 2 2 434.540 3.374 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164412557 718876004 /nfs/dbraw/zinc/87/60/04/718876004.db2.gz WQEOGTAKORDIJH-JKSUJKDBSA-N 2 2 429.590 3.103 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)C1 ZINC001164667893 719443495 /nfs/dbraw/zinc/44/34/95/719443495.db2.gz IEABGVWDSJKXAJ-QRQLOZEOSA-N 2 2 441.645 3.321 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)c23)C1 ZINC001164667893 719443498 /nfs/dbraw/zinc/44/34/98/719443498.db2.gz IEABGVWDSJKXAJ-QRQLOZEOSA-N 2 2 441.645 3.321 20 0 IGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c12 ZINC001164735230 720524481 /nfs/dbraw/zinc/52/44/81/720524481.db2.gz WSJKWSBIMZGVCV-OAQYLSRUSA-N 2 2 429.572 3.491 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745144 720839175 /nfs/dbraw/zinc/83/91/75/720839175.db2.gz LPZCGPISDCCOBH-BHDDXSALSA-N 2 2 438.624 3.074 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164745144 720839179 /nfs/dbraw/zinc/83/91/79/720839179.db2.gz LPZCGPISDCCOBH-BHDDXSALSA-N 2 2 438.624 3.074 20 0 IGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858332 720875938 /nfs/dbraw/zinc/87/59/38/720875938.db2.gz KSIDLUKERCBJIO-DHIUTWEWSA-N 2 2 449.599 3.270 20 0 IGADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858332 720875940 /nfs/dbraw/zinc/87/59/40/720875940.db2.gz KSIDLUKERCBJIO-DHIUTWEWSA-N 2 2 449.599 3.270 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)C1 ZINC001164782273 721365599 /nfs/dbraw/zinc/36/55/99/721365599.db2.gz MDKAMBFTKOEEQH-DEOSSOPVSA-N 2 2 440.592 3.191 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)C1 ZINC001164782273 721365600 /nfs/dbraw/zinc/36/56/00/721365600.db2.gz MDKAMBFTKOEEQH-DEOSSOPVSA-N 2 2 440.592 3.191 20 0 IGADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001165011108 721739222 /nfs/dbraw/zinc/73/92/22/721739222.db2.gz LPQWJIKNOHXWAR-UHFFFAOYSA-N 2 2 432.572 3.003 20 0 IGADLP C(c1nc2sc3c(c2c(N2CC[NH+](C[C@@H]4CCCO4)CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001165039601 721918498 /nfs/dbraw/zinc/91/84/98/721918498.db2.gz UEBVNSXPUNQHND-SFHVURJKSA-N 2 2 441.645 3.467 20 0 IGADLP C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc[nH+]2)C1 ZINC001164963397 722060822 /nfs/dbraw/zinc/06/08/22/722060822.db2.gz YJTZSRIAFGKRDW-NRFANRHFSA-N 2 2 436.604 3.227 20 0 IGADLP C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc[nH+]2)C1 ZINC001164963397 722060823 /nfs/dbraw/zinc/06/08/23/722060823.db2.gz YJTZSRIAFGKRDW-NRFANRHFSA-N 2 2 436.604 3.227 20 0 IGADLP COc1cc2c[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc2cc1OC ZINC001164812950 720238556 /nfs/dbraw/zinc/23/85/56/720238556.db2.gz KYGNXVQUSCOSAM-UHFFFAOYSA-N 2 2 437.544 3.059 20 0 IGADLP COc1cc2c[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)cc2cc1OC ZINC001164812950 720238561 /nfs/dbraw/zinc/23/85/61/720238561.db2.gz KYGNXVQUSCOSAM-UHFFFAOYSA-N 2 2 437.544 3.059 20 0 IGADLP COc1cc2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2cc1OC ZINC001164827929 720325754 /nfs/dbraw/zinc/32/57/54/720325754.db2.gz JFPAFCULKDVZBZ-LEWJYISDSA-N 2 2 438.572 3.164 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1 ZINC001164776996 721331087 /nfs/dbraw/zinc/33/10/87/721331087.db2.gz JQPILVMYJJKHKS-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1 ZINC001164776996 721331090 /nfs/dbraw/zinc/33/10/90/721331090.db2.gz JQPILVMYJJKHKS-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP c1csc(C[NH+]2C[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790757 721406613 /nfs/dbraw/zinc/40/66/13/721406613.db2.gz XXKGSOCSHZSLIY-WOJBJXKFSA-N 2 2 432.597 3.060 20 0 IGADLP c1csc(C[NH+]2C[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164790757 721406616 /nfs/dbraw/zinc/40/66/16/721406616.db2.gz XXKGSOCSHZSLIY-WOJBJXKFSA-N 2 2 432.597 3.060 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940916 721927227 /nfs/dbraw/zinc/92/72/27/721927227.db2.gz WNCVEGWSTZRBQO-UHFFFAOYSA-N 2 2 435.572 3.258 20 0 IGADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940916 721927230 /nfs/dbraw/zinc/92/72/30/721927230.db2.gz WNCVEGWSTZRBQO-UHFFFAOYSA-N 2 2 435.572 3.258 20 0 IGADLP O=C(c1cccnc1N1CCCC[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164419990 718892508 /nfs/dbraw/zinc/89/25/08/718892508.db2.gz SRGOVMHJGDOZHK-RUZDIDTESA-N 2 2 447.627 3.398 20 0 IGADLP O=C(c1cccnc1N1CCCCC12CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164420785 718910819 /nfs/dbraw/zinc/91/08/19/718910819.db2.gz NEIACWMQYBYVCL-UHFFFAOYSA-N 2 2 433.600 3.152 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc[nH+]1 ZINC001164833378 720328856 /nfs/dbraw/zinc/32/88/56/720328856.db2.gz WKKRDPFHKXSXAR-LEWJYISDSA-N 2 2 428.625 3.015 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]cn1 ZINC001164833378 720328861 /nfs/dbraw/zinc/32/88/61/720328861.db2.gz WKKRDPFHKXSXAR-LEWJYISDSA-N 2 2 428.625 3.015 20 0 IGADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858357 720875605 /nfs/dbraw/zinc/87/56/05/720875605.db2.gz KSIDLUKERCBJIO-PKTZIBPZSA-N 2 2 449.599 3.270 20 0 IGADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858357 720875608 /nfs/dbraw/zinc/87/56/08/720875608.db2.gz KSIDLUKERCBJIO-PKTZIBPZSA-N 2 2 449.599 3.270 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164783830 721447719 /nfs/dbraw/zinc/44/77/19/721447719.db2.gz CPABGGFRLPFGBU-QFIPXVFZSA-N 2 2 443.636 3.341 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164783830 721447722 /nfs/dbraw/zinc/44/77/22/721447722.db2.gz CPABGGFRLPFGBU-QFIPXVFZSA-N 2 2 443.636 3.341 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164787713 721447801 /nfs/dbraw/zinc/44/78/01/721447801.db2.gz PYCZNUPQFSCDCP-OAQYLSRUSA-N 2 2 429.609 3.093 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164787713 721447806 /nfs/dbraw/zinc/44/78/06/721447806.db2.gz PYCZNUPQFSCDCP-OAQYLSRUSA-N 2 2 429.609 3.093 20 0 IGADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164664627 719357532 /nfs/dbraw/zinc/35/75/32/719357532.db2.gz PTDNFBVYKDPOJE-QHCPKHFHSA-N 2 2 445.011 3.445 20 0 IGADLP CN(C)c1nc(N2CCOC[C@@]3(CCC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164664627 719357535 /nfs/dbraw/zinc/35/75/35/719357535.db2.gz PTDNFBVYKDPOJE-QHCPKHFHSA-N 2 2 445.011 3.445 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1F ZINC001164744692 720858443 /nfs/dbraw/zinc/85/84/43/720858443.db2.gz CFGHZSZCAPEJGJ-NNMXDRDESA-N 2 2 436.535 3.353 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1F ZINC001164744692 720858444 /nfs/dbraw/zinc/85/84/44/720858444.db2.gz CFGHZSZCAPEJGJ-NNMXDRDESA-N 2 2 436.535 3.353 20 0 IGADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747174 720867392 /nfs/dbraw/zinc/86/73/92/720867392.db2.gz AIBYVNLISMTSTQ-JYFHCDHNSA-N 2 2 448.615 3.227 20 0 IGADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747174 720867394 /nfs/dbraw/zinc/86/73/94/720867394.db2.gz AIBYVNLISMTSTQ-JYFHCDHNSA-N 2 2 448.615 3.227 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc2cc1OC ZINC001164893142 721438590 /nfs/dbraw/zinc/43/85/90/721438590.db2.gz JIINMAFCRAOURH-SQJMNOBHSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc2cc1OC ZINC001164893142 721438592 /nfs/dbraw/zinc/43/85/92/721438592.db2.gz JIINMAFCRAOURH-SQJMNOBHSA-N 2 2 440.588 3.017 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc[nH+]1 ZINC001164786830 721463725 /nfs/dbraw/zinc/46/37/25/721463725.db2.gz PQQLEVRBKJJNIY-OAQYLSRUSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc[nH+]1 ZINC001164786830 721463726 /nfs/dbraw/zinc/46/37/26/721463726.db2.gz PQQLEVRBKJJNIY-OAQYLSRUSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)[nH+]cn1 ZINC001164786830 721463727 /nfs/dbraw/zinc/46/37/27/721463727.db2.gz PQQLEVRBKJJNIY-OAQYLSRUSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)[nH+]cn1 ZINC001164786830 721463728 /nfs/dbraw/zinc/46/37/28/721463728.db2.gz PQQLEVRBKJJNIY-OAQYLSRUSA-N 2 2 431.625 3.057 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH+]cc21 ZINC001164801187 721573710 /nfs/dbraw/zinc/57/37/10/721573710.db2.gz GJQIXASIRQKTNE-QNWVGRARSA-N 2 2 435.528 3.003 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH+]cc21 ZINC001164801187 721573713 /nfs/dbraw/zinc/57/37/13/721573713.db2.gz GJQIXASIRQKTNE-QNWVGRARSA-N 2 2 435.528 3.003 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH+]cc21 ZINC001164801185 721573738 /nfs/dbraw/zinc/57/37/38/721573738.db2.gz GJQIXASIRQKTNE-GIWBLDEGSA-N 2 2 435.528 3.003 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH+]cc21 ZINC001164801185 721573740 /nfs/dbraw/zinc/57/37/40/721573740.db2.gz GJQIXASIRQKTNE-GIWBLDEGSA-N 2 2 435.528 3.003 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976362 722153331 /nfs/dbraw/zinc/15/33/31/722153331.db2.gz WTGSGRYNXYZDEJ-DVECYGJZSA-N 2 2 434.540 3.374 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976362 722153333 /nfs/dbraw/zinc/15/33/33/722153333.db2.gz WTGSGRYNXYZDEJ-DVECYGJZSA-N 2 2 434.540 3.374 20 0 IGADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@H]4c3ccccc3)[nH+]2)CC1 ZINC001164999500 722221544 /nfs/dbraw/zinc/22/15/44/722221544.db2.gz SIPCYEFPZHAJCN-VWLOTQADSA-N 2 2 445.611 3.414 20 0 IGADLP CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(cc(OC)cc4OC)[nH+]3)CC2)CC1 ZINC001164617452 719034793 /nfs/dbraw/zinc/03/47/93/719034793.db2.gz KOSXEARWOBUEFD-UHFFFAOYSA-N 2 2 427.545 3.496 20 0 IGADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)cc(Cl)[nH+]3)CC2)c2ccccc21 ZINC001164681662 719665089 /nfs/dbraw/zinc/66/50/89/719665089.db2.gz PQNHLMJGZWTDKL-KRWDZBQOSA-N 2 2 442.007 3.411 20 0 IGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164718579 720116732 /nfs/dbraw/zinc/11/67/32/720116732.db2.gz SPULZXJSOJIQML-OAQYLSRUSA-N 2 2 438.572 3.388 20 0 IGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164718579 720116738 /nfs/dbraw/zinc/11/67/38/720116738.db2.gz SPULZXJSOJIQML-OAQYLSRUSA-N 2 2 438.572 3.388 20 0 IGADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758165 720901459 /nfs/dbraw/zinc/90/14/59/720901459.db2.gz XIFHYUVPSDUEEK-GJZUVCINSA-N 2 2 433.600 3.424 20 0 IGADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758165 720901472 /nfs/dbraw/zinc/90/14/72/720901472.db2.gz XIFHYUVPSDUEEK-GJZUVCINSA-N 2 2 433.600 3.424 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(NCC4CC4)c(C)c[nH+]3)C2)C1 ZINC001164778121 721331145 /nfs/dbraw/zinc/33/11/45/721331145.db2.gz UNQVHVMQXUHIJB-XMMPIXPASA-N 2 2 440.592 3.331 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(NCC4CC4)c(C)c[nH+]3)C2)C1 ZINC001164778121 721331147 /nfs/dbraw/zinc/33/11/47/721331147.db2.gz UNQVHVMQXUHIJB-XMMPIXPASA-N 2 2 440.592 3.331 20 0 IGADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966673 722075623 /nfs/dbraw/zinc/07/56/23/722075623.db2.gz GBLBFDBPPUCARW-KDURUIRLSA-N 2 2 427.618 3.203 20 0 IGADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966673 722075624 /nfs/dbraw/zinc/07/56/24/722075624.db2.gz GBLBFDBPPUCARW-KDURUIRLSA-N 2 2 427.618 3.203 20 0 IGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164710016 720093124 /nfs/dbraw/zinc/09/31/24/720093124.db2.gz FMNYEWNTCXMXCD-JOCHJYFZSA-N 2 2 436.604 3.288 20 0 IGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164710016 720093134 /nfs/dbraw/zinc/09/31/34/720093134.db2.gz FMNYEWNTCXMXCD-JOCHJYFZSA-N 2 2 436.604 3.288 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164841403 720558859 /nfs/dbraw/zinc/55/88/59/720558859.db2.gz UYFGIQPXUSSKHK-PCCBWWKXSA-N 2 2 425.577 3.449 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164841403 720558867 /nfs/dbraw/zinc/55/88/67/720558867.db2.gz UYFGIQPXUSSKHK-PCCBWWKXSA-N 2 2 425.577 3.449 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164762678 721144717 /nfs/dbraw/zinc/14/47/17/721144717.db2.gz DECTXKAMWMSLSX-LEWJYISDSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164762678 721144723 /nfs/dbraw/zinc/14/47/23/721144723.db2.gz DECTXKAMWMSLSX-LEWJYISDSA-N 2 2 445.546 3.311 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164790381 721447699 /nfs/dbraw/zinc/44/76/99/721447699.db2.gz YRDZMCJLAMBZBU-NRFANRHFSA-N 2 2 431.625 3.339 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164790381 721447702 /nfs/dbraw/zinc/44/77/02/721447702.db2.gz YRDZMCJLAMBZBU-NRFANRHFSA-N 2 2 431.625 3.339 20 0 IGADLP C(c1nc2sc3c(c2c(N2CC[NH+](C[C@H]4CCCO4)CC2)n1)CCCC3)[NH+]1CCCC1 ZINC001165036250 721918633 /nfs/dbraw/zinc/91/86/33/721918633.db2.gz AVNOBKUZTQDKMQ-GOSISDBHSA-N 2 2 441.645 3.467 20 0 IGADLP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001165044685 721956003 /nfs/dbraw/zinc/95/60/03/721956003.db2.gz OINCNIQAIKCQGF-UHFFFAOYSA-N 2 2 429.568 3.236 20 0 IGADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001165044685 721956004 /nfs/dbraw/zinc/95/60/04/721956004.db2.gz OINCNIQAIKCQGF-UHFFFAOYSA-N 2 2 429.568 3.236 20 0 IGADLP O=C(c1cccnc1N1CCC2(CCCC[NH2+]2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164387236 718803349 /nfs/dbraw/zinc/80/33/49/718803349.db2.gz KDCDQULPQSFDIY-UHFFFAOYSA-N 2 2 433.600 3.152 20 0 IGADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)cc1 ZINC001164671700 719519678 /nfs/dbraw/zinc/51/96/78/719519678.db2.gz HWFWSEHQSLQVSQ-UHFFFAOYSA-N 2 2 430.955 3.391 20 0 IGADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)cc1 ZINC001164671700 719519684 /nfs/dbraw/zinc/51/96/84/719519684.db2.gz HWFWSEHQSLQVSQ-UHFFFAOYSA-N 2 2 430.955 3.391 20 0 IGADLP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676953 719568285 /nfs/dbraw/zinc/56/82/85/719568285.db2.gz RVIMLLUNGLXBAD-UHFFFAOYSA-N 2 2 446.889 3.452 20 0 IGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703850 719877109 /nfs/dbraw/zinc/87/71/09/719877109.db2.gz KYRIBCAIHAIRBQ-TZBSWOFLSA-N 2 2 444.620 3.251 20 0 IGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703850 719877113 /nfs/dbraw/zinc/87/71/13/719877113.db2.gz KYRIBCAIHAIRBQ-TZBSWOFLSA-N 2 2 444.620 3.251 20 0 IGADLP COc1cc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2cc1OC ZINC001164827931 720326057 /nfs/dbraw/zinc/32/60/57/720326057.db2.gz JFPAFCULKDVZBZ-NHCUHLMSSA-N 2 2 438.572 3.164 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc[nH+]1 ZINC001164833384 720328546 /nfs/dbraw/zinc/32/85/46/720328546.db2.gz WKKRDPFHKXSXAR-SFTDATJTSA-N 2 2 428.625 3.015 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]cn1 ZINC001164833384 720328549 /nfs/dbraw/zinc/32/85/49/720328549.db2.gz WKKRDPFHKXSXAR-SFTDATJTSA-N 2 2 428.625 3.015 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164762688 721144929 /nfs/dbraw/zinc/14/49/29/721144929.db2.gz DECTXKAMWMSLSX-SFTDATJTSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164762688 721144940 /nfs/dbraw/zinc/14/49/40/721144940.db2.gz DECTXKAMWMSLSX-SFTDATJTSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763412 721146071 /nfs/dbraw/zinc/14/60/71/721146071.db2.gz FORHUWCEGOCSSD-RTWAWAEBSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763412 721146085 /nfs/dbraw/zinc/14/60/85/721146085.db2.gz FORHUWCEGOCSSD-RTWAWAEBSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763410 721146579 /nfs/dbraw/zinc/14/65/79/721146579.db2.gz FORHUWCEGOCSSD-NHCUHLMSSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763410 721146585 /nfs/dbraw/zinc/14/65/85/721146585.db2.gz FORHUWCEGOCSSD-NHCUHLMSSA-N 2 2 445.546 3.311 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1 ZINC001164776997 721330871 /nfs/dbraw/zinc/33/08/71/721330871.db2.gz JQPILVMYJJKHKS-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1 ZINC001164776997 721330876 /nfs/dbraw/zinc/33/08/76/721330876.db2.gz JQPILVMYJJKHKS-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890598 721418119 /nfs/dbraw/zinc/41/81/19/721418119.db2.gz UCDPNPYSNFQCES-XUZZJYLKSA-N 2 2 448.055 3.096 20 0 IGADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890598 721418124 /nfs/dbraw/zinc/41/81/24/721418124.db2.gz UCDPNPYSNFQCES-XUZZJYLKSA-N 2 2 448.055 3.096 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc2cc1OC ZINC001164893141 721438791 /nfs/dbraw/zinc/43/87/91/721438791.db2.gz JIINMAFCRAOURH-PXDATVDWSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)cc2cc1OC ZINC001164893141 721438794 /nfs/dbraw/zinc/43/87/94/721438794.db2.gz JIINMAFCRAOURH-PXDATVDWSA-N 2 2 440.588 3.017 20 0 IGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963305 722058341 /nfs/dbraw/zinc/05/83/41/722058341.db2.gz WGHOUHYLOGZEIJ-ONEGZZNKSA-N 2 2 436.556 3.090 20 0 IGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963305 722058342 /nfs/dbraw/zinc/05/83/42/722058342.db2.gz WGHOUHYLOGZEIJ-ONEGZZNKSA-N 2 2 436.556 3.090 20 0 IGADLP COc1ccc(C)[nH+]c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680506 719668254 /nfs/dbraw/zinc/66/82/54/719668254.db2.gz GROWDDUIJPWDDO-HXUWFJFHSA-N 2 2 436.600 3.492 20 0 IGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703843 719876636 /nfs/dbraw/zinc/87/66/36/719876636.db2.gz KYRIBCAIHAIRBQ-FBLLAGFSSA-N 2 2 444.620 3.251 20 0 IGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703843 719876637 /nfs/dbraw/zinc/87/66/37/719876637.db2.gz KYRIBCAIHAIRBQ-FBLLAGFSSA-N 2 2 444.620 3.251 20 0 IGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164718578 720116025 /nfs/dbraw/zinc/11/60/25/720116025.db2.gz SPULZXJSOJIQML-NRFANRHFSA-N 2 2 438.572 3.388 20 0 IGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164718578 720116028 /nfs/dbraw/zinc/11/60/28/720116028.db2.gz SPULZXJSOJIQML-NRFANRHFSA-N 2 2 438.572 3.388 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764987 721145735 /nfs/dbraw/zinc/14/57/35/721145735.db2.gz IRDOFSJKPGTMOC-FCHUYYIVSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764987 721145739 /nfs/dbraw/zinc/14/57/39/721145739.db2.gz IRDOFSJKPGTMOC-FCHUYYIVSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763408 721145844 /nfs/dbraw/zinc/14/58/44/721145844.db2.gz FORHUWCEGOCSSD-LEWJYISDSA-N 2 2 445.546 3.311 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763408 721145847 /nfs/dbraw/zinc/14/58/47/721145847.db2.gz FORHUWCEGOCSSD-LEWJYISDSA-N 2 2 445.546 3.311 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164782369 721458869 /nfs/dbraw/zinc/45/88/69/721458869.db2.gz AKSQITWPMNVFJX-NRFANRHFSA-N 2 2 445.604 3.219 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164782369 721458871 /nfs/dbraw/zinc/45/88/71/721458871.db2.gz AKSQITWPMNVFJX-NRFANRHFSA-N 2 2 445.604 3.219 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164782371 721459146 /nfs/dbraw/zinc/45/91/46/721459146.db2.gz AKSQITWPMNVFJX-OAQYLSRUSA-N 2 2 445.604 3.219 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)CC2 ZINC001164782371 721459149 /nfs/dbraw/zinc/45/91/49/721459149.db2.gz AKSQITWPMNVFJX-OAQYLSRUSA-N 2 2 445.604 3.219 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907243 721563300 /nfs/dbraw/zinc/56/33/00/721563300.db2.gz NAQTXXZHAJKHKS-AUSIDOKSSA-N 3 2 426.536 3.036 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907243 721563304 /nfs/dbraw/zinc/56/33/04/721563304.db2.gz NAQTXXZHAJKHKS-AUSIDOKSSA-N 3 2 426.536 3.036 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164935149 721879766 /nfs/dbraw/zinc/87/97/66/721879766.db2.gz WODIYBQGPHYYHD-RTBURBONSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164935149 721879768 /nfs/dbraw/zinc/87/97/68/721879768.db2.gz WODIYBQGPHYYHD-RTBURBONSA-N 2 2 430.666 3.365 20 0 IGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164935149 721879769 /nfs/dbraw/zinc/87/97/69/721879769.db2.gz WODIYBQGPHYYHD-RTBURBONSA-N 2 2 430.666 3.365 20 0 IGADLP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675181 719440909 /nfs/dbraw/zinc/44/09/09/719440909.db2.gz ZMXNDFCLNPVMDT-MSOLQXFVSA-N 2 2 427.618 3.075 20 0 IGADLP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675181 719440912 /nfs/dbraw/zinc/44/09/12/719440912.db2.gz ZMXNDFCLNPVMDT-MSOLQXFVSA-N 2 2 427.618 3.075 20 0 IGADLP CC(C)[N@H+](C)Cc1nn(-c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615310 /nfs/dbraw/zinc/61/53/10/719615310.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 3 2 430.600 3.312 20 0 IGADLP CC(C)[N@@H+](C)Cc1nn(-c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615316 /nfs/dbraw/zinc/61/53/16/719615316.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 3 2 430.600 3.312 20 0 IGADLP CC(C)[NH+](C)Cc1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615321 /nfs/dbraw/zinc/61/53/21/719615321.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 3 2 430.600 3.312 20 0 IGADLP CC(C)[NH+](C)Cc1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615325 /nfs/dbraw/zinc/61/53/25/719615325.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 3 2 430.600 3.312 20 0 IGADLP CC(C)N(C)Cc1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615331 /nfs/dbraw/zinc/61/53/31/719615331.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 2 2 430.600 3.312 20 0 IGADLP CC(C)N(C)Cc1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164682359 719615337 /nfs/dbraw/zinc/61/53/37/719615337.db2.gz CQKDOUDOZQOJBD-UHFFFAOYSA-N 2 2 430.600 3.312 20 0 IGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164714155 720128321 /nfs/dbraw/zinc/12/83/21/720128321.db2.gz WMYBDFHKTAEMGC-JOCHJYFZSA-N 2 2 436.604 3.369 20 0 IGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164714155 720128326 /nfs/dbraw/zinc/12/83/26/720128326.db2.gz WMYBDFHKTAEMGC-JOCHJYFZSA-N 2 2 436.604 3.369 20 0 IGADLP Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(C2CCCCC2)[nH+]1 ZINC001164713732 720194259 /nfs/dbraw/zinc/19/42/59/720194259.db2.gz CTXGHVODOVXSFQ-JOCHJYFZSA-N 2 2 439.608 3.177 20 0 IGADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164842038 720699133 /nfs/dbraw/zinc/69/91/33/720699133.db2.gz LFRMUJFHFLUBLB-QHCPKHFHSA-N 3 2 435.616 3.093 20 0 IGADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164842038 720699141 /nfs/dbraw/zinc/69/91/41/720699141.db2.gz LFRMUJFHFLUBLB-QHCPKHFHSA-N 3 2 435.616 3.093 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1F ZINC001164744688 720858529 /nfs/dbraw/zinc/85/85/29/720858529.db2.gz CFGHZSZCAPEJGJ-CNNODRBYSA-N 2 2 436.535 3.353 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1F ZINC001164744688 720858530 /nfs/dbraw/zinc/85/85/30/720858530.db2.gz CFGHZSZCAPEJGJ-CNNODRBYSA-N 2 2 436.535 3.353 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164753437 720868070 /nfs/dbraw/zinc/86/80/70/720868070.db2.gz PMUOJZHWFVZNOO-SQJMNOBHSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164753437 720868071 /nfs/dbraw/zinc/86/80/71/720868071.db2.gz PMUOJZHWFVZNOO-SQJMNOBHSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(NCC4CC4)c(C)c[nH+]3)C2)C1 ZINC001164778115 721330677 /nfs/dbraw/zinc/33/06/77/721330677.db2.gz UNQVHVMQXUHIJB-DEOSSOPVSA-N 2 2 440.592 3.331 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(NCC4CC4)c(C)c[nH+]3)C2)C1 ZINC001164778115 721330680 /nfs/dbraw/zinc/33/06/80/721330680.db2.gz UNQVHVMQXUHIJB-DEOSSOPVSA-N 2 2 440.592 3.331 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164777716 721335400 /nfs/dbraw/zinc/33/54/00/721335400.db2.gz PRXJPUPCPGRJNI-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164777716 721335404 /nfs/dbraw/zinc/33/54/04/721335404.db2.gz PRXJPUPCPGRJNI-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164777716 721335411 /nfs/dbraw/zinc/33/54/11/721335411.db2.gz PRXJPUPCPGRJNI-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164777716 721335414 /nfs/dbraw/zinc/33/54/14/721335414.db2.gz PRXJPUPCPGRJNI-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907246 721563538 /nfs/dbraw/zinc/56/35/38/721563538.db2.gz NAQTXXZHAJKHKS-XXBNENTESA-N 3 2 426.536 3.036 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907246 721563542 /nfs/dbraw/zinc/56/35/42/721563542.db2.gz NAQTXXZHAJKHKS-XXBNENTESA-N 3 2 426.536 3.036 20 0 IGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164911866 721758763 /nfs/dbraw/zinc/75/87/63/721758763.db2.gz ZWZXWIKJQZUPBM-UHFFFAOYSA-N 3 2 432.572 3.192 20 0 IGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164911866 721758768 /nfs/dbraw/zinc/75/87/68/721758768.db2.gz ZWZXWIKJQZUPBM-UHFFFAOYSA-N 3 2 432.572 3.192 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164412555 718876288 /nfs/dbraw/zinc/87/62/88/718876288.db2.gz WQEOGTAKORDIJH-HOTGVXAUSA-N 2 2 429.590 3.103 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747418 720868223 /nfs/dbraw/zinc/86/82/23/720868223.db2.gz BQKFUOIDCAFZGS-RCZVLFRGSA-N 2 2 436.604 3.083 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747418 720868227 /nfs/dbraw/zinc/86/82/27/720868227.db2.gz BQKFUOIDCAFZGS-RCZVLFRGSA-N 2 2 436.604 3.083 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc[nH+]1 ZINC001164786827 721463652 /nfs/dbraw/zinc/46/36/52/721463652.db2.gz PQQLEVRBKJJNIY-NRFANRHFSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc[nH+]1 ZINC001164786827 721463655 /nfs/dbraw/zinc/46/36/55/721463655.db2.gz PQQLEVRBKJJNIY-NRFANRHFSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)[nH+]cn1 ZINC001164786827 721463657 /nfs/dbraw/zinc/46/36/57/721463657.db2.gz PQQLEVRBKJJNIY-NRFANRHFSA-N 2 2 431.625 3.057 20 0 IGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)[nH+]cn1 ZINC001164786827 721463658 /nfs/dbraw/zinc/46/36/58/721463658.db2.gz PQQLEVRBKJJNIY-NRFANRHFSA-N 2 2 431.625 3.057 20 0 IGADLP CC[NH+](CC)C1CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001165052833 722004216 /nfs/dbraw/zinc/00/42/16/722004216.db2.gz CCJBFINYXVPPSR-UHFFFAOYSA-N 2 2 435.616 3.350 20 0 IGADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c3)cc21 ZINC001164951760 722016918 /nfs/dbraw/zinc/01/69/18/722016918.db2.gz DHUCUGCXQLCZFE-UHFFFAOYSA-N 2 2 442.567 3.250 20 0 IGADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)c3)cc21 ZINC001164951760 722016922 /nfs/dbraw/zinc/01/69/22/722016922.db2.gz DHUCUGCXQLCZFE-UHFFFAOYSA-N 2 2 442.567 3.250 20 0 IGADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675183 719441773 /nfs/dbraw/zinc/44/17/73/719441773.db2.gz ZMXNDFCLNPVMDT-QZTJIDSGSA-N 2 2 427.618 3.075 20 0 IGADLP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675183 719441777 /nfs/dbraw/zinc/44/17/77/719441777.db2.gz ZMXNDFCLNPVMDT-QZTJIDSGSA-N 2 2 427.618 3.075 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)C1 ZINC001164667890 719443973 /nfs/dbraw/zinc/44/39/73/719443973.db2.gz IEABGVWDSJKXAJ-BHIYHBOVSA-N 2 2 441.645 3.321 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)c23)C1 ZINC001164667890 719443982 /nfs/dbraw/zinc/44/39/82/719443982.db2.gz IEABGVWDSJKXAJ-BHIYHBOVSA-N 2 2 441.645 3.321 20 0 IGADLP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)[nH+]2)CC1 ZINC001164670279 719520233 /nfs/dbraw/zinc/52/02/33/719520233.db2.gz CQFDUZBHYOEGGG-UHFFFAOYSA-N 3 2 439.579 3.020 20 0 IGADLP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)[nH+]2)CC1 ZINC001164670279 719520243 /nfs/dbraw/zinc/52/02/43/719520243.db2.gz CQFDUZBHYOEGGG-UHFFFAOYSA-N 3 2 439.579 3.020 20 0 IGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812330 720082988 /nfs/dbraw/zinc/08/29/88/720082988.db2.gz QPKQWOZEHXLTPE-HOFKKMOUSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001164812330 720082993 /nfs/dbraw/zinc/08/29/93/720082993.db2.gz QPKQWOZEHXLTPE-HOFKKMOUSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164812330 720083000 /nfs/dbraw/zinc/08/30/00/720083000.db2.gz QPKQWOZEHXLTPE-HOFKKMOUSA-N 2 2 447.627 3.220 20 0 IGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164812330 720083005 /nfs/dbraw/zinc/08/30/05/720083005.db2.gz QPKQWOZEHXLTPE-HOFKKMOUSA-N 2 2 447.627 3.220 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829578 720351835 /nfs/dbraw/zinc/35/18/35/720351835.db2.gz SPFOBNAUFNPSBU-FGZHOGPDSA-N 2 2 438.572 3.164 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747425 720868382 /nfs/dbraw/zinc/86/83/82/720868382.db2.gz BQKFUOIDCAFZGS-WIOPSUGQSA-N 2 2 436.604 3.083 20 0 IGADLP CCN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747425 720868384 /nfs/dbraw/zinc/86/83/84/720868384.db2.gz BQKFUOIDCAFZGS-WIOPSUGQSA-N 2 2 436.604 3.083 20 0 IGADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164789551 721410728 /nfs/dbraw/zinc/41/07/28/721410728.db2.gz VCCGLEPEZFWSHH-HOTGVXAUSA-N 2 2 440.573 3.003 20 0 IGADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc[nH+]2)C1 ZINC001164963399 722060842 /nfs/dbraw/zinc/06/08/42/722060842.db2.gz YJTZSRIAFGKRDW-OAQYLSRUSA-N 2 2 436.604 3.227 20 0 IGADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc[nH+]2)C1 ZINC001164963399 722060843 /nfs/dbraw/zinc/06/08/43/722060843.db2.gz YJTZSRIAFGKRDW-OAQYLSRUSA-N 2 2 436.604 3.227 20 0 IGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@@H]3C2)cc1 ZINC001164621858 719096506 /nfs/dbraw/zinc/09/65/06/719096506.db2.gz BIWYZKFHAUSSSX-FCHUYYIVSA-N 2 2 433.604 3.173 20 0 IGADLP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@@H]3C2)cc1 ZINC001164621858 719096513 /nfs/dbraw/zinc/09/65/13/719096513.db2.gz BIWYZKFHAUSSSX-FCHUYYIVSA-N 2 2 433.604 3.173 20 0 IGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC001164858605 720896570 /nfs/dbraw/zinc/89/65/70/720896570.db2.gz MLTFKRKRLSSBBM-JOCHJYFZSA-N 2 2 447.587 3.230 20 0 IGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC001164858605 720896573 /nfs/dbraw/zinc/89/65/73/720896573.db2.gz MLTFKRKRLSSBBM-JOCHJYFZSA-N 2 2 447.587 3.230 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164785003 721460498 /nfs/dbraw/zinc/46/04/98/721460498.db2.gz LFIMBUPTCIHGPK-FQEVSTJZSA-N 2 2 427.593 3.309 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164785003 721460500 /nfs/dbraw/zinc/46/05/00/721460500.db2.gz LFIMBUPTCIHGPK-FQEVSTJZSA-N 2 2 427.593 3.309 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164783583 721462782 /nfs/dbraw/zinc/46/27/82/721462782.db2.gz DNLVAWJWVZSFKB-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164783583 721462785 /nfs/dbraw/zinc/46/27/85/721462785.db2.gz DNLVAWJWVZSFKB-JOCHJYFZSA-N 2 2 443.636 3.201 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164448953 719000261 /nfs/dbraw/zinc/00/02/61/719000261.db2.gz KMKPWAXKCWKIJZ-HOTGVXAUSA-N 2 2 429.590 3.103 20 0 IGADLP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675188 719440624 /nfs/dbraw/zinc/44/06/24/719440624.db2.gz ZMXNDFCLNPVMDT-ROUUACIJSA-N 2 2 427.618 3.075 20 0 IGADLP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675188 719440632 /nfs/dbraw/zinc/44/06/32/719440632.db2.gz ZMXNDFCLNPVMDT-ROUUACIJSA-N 2 2 427.618 3.075 20 0 IGADLP Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c(C)[nH+]1 ZINC001164681523 719679982 /nfs/dbraw/zinc/67/99/82/719679982.db2.gz MJTDSCCGWREBNJ-OAQYLSRUSA-N 2 2 435.616 3.495 20 0 IGADLP COc1cc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2cc1OC ZINC001164827936 720325916 /nfs/dbraw/zinc/32/59/16/720325916.db2.gz JFPAFCULKDVZBZ-SFTDATJTSA-N 2 2 438.572 3.164 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164841402 720559671 /nfs/dbraw/zinc/55/96/71/720559671.db2.gz UYFGIQPXUSSKHK-NJDAHSKKSA-N 2 2 425.577 3.449 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164841402 720559682 /nfs/dbraw/zinc/55/96/82/720559682.db2.gz UYFGIQPXUSSKHK-NJDAHSKKSA-N 2 2 425.577 3.449 20 0 IGADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747170 720867218 /nfs/dbraw/zinc/86/72/18/720867218.db2.gz AIBYVNLISMTSTQ-BVAGGSTKSA-N 2 2 448.615 3.227 20 0 IGADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164747170 720867219 /nfs/dbraw/zinc/86/72/19/720867219.db2.gz AIBYVNLISMTSTQ-BVAGGSTKSA-N 2 2 448.615 3.227 20 0 IGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@H]2C1 ZINC001164855179 720871644 /nfs/dbraw/zinc/87/16/44/720871644.db2.gz GKIJYKAOPJARAD-JTHBVZDNSA-N 2 2 439.556 3.017 20 0 IGADLP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@H]2C1 ZINC001164855179 720871646 /nfs/dbraw/zinc/87/16/46/720871646.db2.gz GKIJYKAOPJARAD-JTHBVZDNSA-N 2 2 439.556 3.017 20 0 IGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764994 721145691 /nfs/dbraw/zinc/14/56/91/721145691.db2.gz IRDOFSJKPGTMOC-FGZHOGPDSA-N 2 2 427.556 3.171 20 0 IGADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764994 721145703 /nfs/dbraw/zinc/14/57/03/721145703.db2.gz IRDOFSJKPGTMOC-FGZHOGPDSA-N 2 2 427.556 3.171 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907245 721563764 /nfs/dbraw/zinc/56/37/64/721563764.db2.gz NAQTXXZHAJKHKS-WMZHIEFXSA-N 3 2 426.536 3.036 20 0 IGADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907245 721563767 /nfs/dbraw/zinc/56/37/67/721563767.db2.gz NAQTXXZHAJKHKS-WMZHIEFXSA-N 3 2 426.536 3.036 20 0 IGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963304 722058178 /nfs/dbraw/zinc/05/81/78/722058178.db2.gz WGHOUHYLOGZEIJ-ARJAWSKDSA-N 2 2 436.556 3.090 20 0 IGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963304 722058179 /nfs/dbraw/zinc/05/81/79/722058179.db2.gz WGHOUHYLOGZEIJ-ARJAWSKDSA-N 2 2 436.556 3.090 20 0 IGADLP Clc1ccc(C[NH+]2CCCC2)c(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)n1 ZINC001164636756 719267134 /nfs/dbraw/zinc/26/71/34/719267134.db2.gz JXUAIFPOVRSYMG-UHFFFAOYSA-N 2 2 425.924 3.093 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1F ZINC001164744700 720858121 /nfs/dbraw/zinc/85/81/21/720858121.db2.gz CFGHZSZCAPEJGJ-XQBPLPMBSA-N 2 2 436.535 3.353 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1F ZINC001164744700 720858123 /nfs/dbraw/zinc/85/81/23/720858123.db2.gz CFGHZSZCAPEJGJ-XQBPLPMBSA-N 2 2 436.535 3.353 20 0 IGADLP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@H]2C1 ZINC001164855175 720871956 /nfs/dbraw/zinc/87/19/56/720871956.db2.gz GKIJYKAOPJARAD-GMAHTHKFSA-N 2 2 439.556 3.017 20 0 IGADLP COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@H]2C1 ZINC001164855175 720871962 /nfs/dbraw/zinc/87/19/62/720871962.db2.gz GKIJYKAOPJARAD-GMAHTHKFSA-N 2 2 439.556 3.017 20 0 IGADLP CNC(=O)N[C@@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)c2ccc(C)cc21 ZINC001164897138 721492582 /nfs/dbraw/zinc/49/25/82/721492582.db2.gz BSWLFGDBJJBCED-JOCHJYFZSA-N 2 2 448.615 3.054 20 0 IGADLP COc1cc2c[nH+]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2cc1OC ZINC001164947366 721979413 /nfs/dbraw/zinc/97/94/13/721979413.db2.gz GWXLOJPSDCPKOJ-UHFFFAOYSA-N 2 2 446.551 3.223 20 0 IGADLP COc1cc2c[nH+]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2cc1OC ZINC001164947366 721979415 /nfs/dbraw/zinc/97/94/15/721979415.db2.gz GWXLOJPSDCPKOJ-UHFFFAOYSA-N 2 2 446.551 3.223 20 0 IGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)cs1 ZINC001164691307 719815099 /nfs/dbraw/zinc/81/50/99/719815099.db2.gz FJMWPQQYNGWADJ-UHFFFAOYSA-N 2 2 430.647 3.430 20 0 IGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)cs1 ZINC001164691307 719815100 /nfs/dbraw/zinc/81/51/00/719815100.db2.gz FJMWPQQYNGWADJ-UHFFFAOYSA-N 2 2 430.647 3.430 20 0 IGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703849 719877161 /nfs/dbraw/zinc/87/71/61/719877161.db2.gz KYRIBCAIHAIRBQ-SGIRGMQISA-N 2 2 444.620 3.251 20 0 IGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703849 719877164 /nfs/dbraw/zinc/87/71/64/719877164.db2.gz KYRIBCAIHAIRBQ-SGIRGMQISA-N 2 2 444.620 3.251 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829580 720351649 /nfs/dbraw/zinc/35/16/49/720351649.db2.gz SPFOBNAUFNPSBU-VXKWHMMOSA-N 2 2 438.572 3.164 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831623 720352425 /nfs/dbraw/zinc/35/24/25/720352425.db2.gz ZFUXWVGYZKZCOG-NHCUHLMSSA-N 2 2 426.536 3.294 20 0 IGADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758166 720901795 /nfs/dbraw/zinc/90/17/95/720901795.db2.gz XIFHYUVPSDUEEK-NVQXNPDNSA-N 2 2 433.600 3.424 20 0 IGADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758166 720901807 /nfs/dbraw/zinc/90/18/07/720901807.db2.gz XIFHYUVPSDUEEK-NVQXNPDNSA-N 2 2 433.600 3.424 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831622 720352642 /nfs/dbraw/zinc/35/26/42/720352642.db2.gz ZFUXWVGYZKZCOG-LEWJYISDSA-N 2 2 426.536 3.294 20 0 IGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@@H]2C1 ZINC001164855165 720872117 /nfs/dbraw/zinc/87/21/17/720872117.db2.gz GKIJYKAOPJARAD-FYYLOGMGSA-N 2 2 439.556 3.017 20 0 IGADLP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC[C@@H]2C1 ZINC001164855165 720872119 /nfs/dbraw/zinc/87/21/19/720872119.db2.gz GKIJYKAOPJARAD-FYYLOGMGSA-N 2 2 439.556 3.017 20 0 IGADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758163 720902400 /nfs/dbraw/zinc/90/24/00/720902400.db2.gz XIFHYUVPSDUEEK-ATIYNZHBSA-N 2 2 433.600 3.424 20 0 IGADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c([nH+]1)CCC2 ZINC001164758163 720902409 /nfs/dbraw/zinc/90/24/09/720902409.db2.gz XIFHYUVPSDUEEK-ATIYNZHBSA-N 2 2 433.600 3.424 20 0 IGADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789557 721410501 /nfs/dbraw/zinc/41/05/01/721410501.db2.gz VCCGLEPEZFWSHH-IYBDPMFKSA-N 2 2 440.573 3.003 20 0 IGADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789557 721410504 /nfs/dbraw/zinc/41/05/04/721410504.db2.gz VCCGLEPEZFWSHH-IYBDPMFKSA-N 2 2 440.573 3.003 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164783585 721462999 /nfs/dbraw/zinc/46/29/99/721462999.db2.gz DNLVAWJWVZSFKB-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164783585 721463001 /nfs/dbraw/zinc/46/30/01/721463001.db2.gz DNLVAWJWVZSFKB-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC3)C2)cc1 ZINC001164940672 721928252 /nfs/dbraw/zinc/92/82/52/721928252.db2.gz WILRQQSAHQCJFD-UHFFFAOYSA-N 3 2 435.616 3.013 20 0 IGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC3)C2)cc1 ZINC001164940672 721928253 /nfs/dbraw/zinc/92/82/53/721928253.db2.gz WILRQQSAHQCJFD-UHFFFAOYSA-N 3 2 435.616 3.013 20 0 IGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC3)C2)cc1 ZINC001164940672 721928254 /nfs/dbraw/zinc/92/82/54/721928254.db2.gz WILRQQSAHQCJFD-UHFFFAOYSA-N 2 2 435.616 3.013 20 0 IGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC3)C2)cc1 ZINC001164940672 721928255 /nfs/dbraw/zinc/92/82/55/721928255.db2.gz WILRQQSAHQCJFD-UHFFFAOYSA-N 2 2 435.616 3.013 20 0 IGADLP COc1cc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2cc1OC ZINC001164948317 721974774 /nfs/dbraw/zinc/97/47/74/721974774.db2.gz XMFRNLWJQPGMRM-UHFFFAOYSA-N 2 2 446.551 3.223 20 0 IGADLP COc1cc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2cc1OC ZINC001164948317 721974778 /nfs/dbraw/zinc/97/47/78/721974778.db2.gz XMFRNLWJQPGMRM-UHFFFAOYSA-N 2 2 446.551 3.223 20 0 IGADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@H]3C2)cc1 ZINC001164621877 719096696 /nfs/dbraw/zinc/09/66/96/719096696.db2.gz BIWYZKFHAUSSSX-YADHBBJMSA-N 2 2 433.604 3.173 20 0 IGADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)[C@H]3C2)cc1 ZINC001164621877 719096702 /nfs/dbraw/zinc/09/67/02/719096702.db2.gz BIWYZKFHAUSSSX-YADHBBJMSA-N 2 2 433.604 3.173 20 0 IGADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680853 719675486 /nfs/dbraw/zinc/67/54/86/719675486.db2.gz IBSXXYZOWSWBKD-HXUWFJFHSA-N 2 2 436.600 3.492 20 0 IGADLP Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c2c([nH+]1)CCC2 ZINC001164681815 719675740 /nfs/dbraw/zinc/67/57/40/719675740.db2.gz NRKIISJFUCCJLD-HXUWFJFHSA-N 2 2 447.627 3.367 20 0 IGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164710017 720092745 /nfs/dbraw/zinc/09/27/45/720092745.db2.gz FMNYEWNTCXMXCD-QFIPXVFZSA-N 2 2 436.604 3.288 20 0 IGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164710017 720092752 /nfs/dbraw/zinc/09/27/52/720092752.db2.gz FMNYEWNTCXMXCD-QFIPXVFZSA-N 2 2 436.604 3.288 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829576 720351937 /nfs/dbraw/zinc/35/19/37/720351937.db2.gz SPFOBNAUFNPSBU-FCHUYYIVSA-N 2 2 438.572 3.164 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831626 720352540 /nfs/dbraw/zinc/35/25/40/720352540.db2.gz ZFUXWVGYZKZCOG-SFTDATJTSA-N 2 2 426.536 3.294 20 0 IGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@H]2C1 ZINC001164858364 720875848 /nfs/dbraw/zinc/87/58/48/720875848.db2.gz KSIDLUKERCBJIO-XZOQPEGZSA-N 2 2 449.599 3.270 20 0 IGADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@H]2C1 ZINC001164858364 720875849 /nfs/dbraw/zinc/87/58/49/720875849.db2.gz KSIDLUKERCBJIO-XZOQPEGZSA-N 2 2 449.599 3.270 20 0 IGADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCC[C@@H]5C(N)=O)nc[nH+]4)CC3)CC2)cc1 ZINC001164758817 721046903 /nfs/dbraw/zinc/04/69/03/721046903.db2.gz BVLFEBLTKLQSGR-JOCHJYFZSA-N 2 2 448.615 3.122 20 0 IGADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCC[C@@H]5C(N)=O)[nH+]cn4)CC3)CC2)cc1 ZINC001164758817 721046909 /nfs/dbraw/zinc/04/69/09/721046909.db2.gz BVLFEBLTKLQSGR-JOCHJYFZSA-N 2 2 448.615 3.122 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776022 721330169 /nfs/dbraw/zinc/33/01/69/721330169.db2.gz BXTXLKBAUCSCSF-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776022 721330172 /nfs/dbraw/zinc/33/01/72/721330172.db2.gz BXTXLKBAUCSCSF-DEOSSOPVSA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776025 721330333 /nfs/dbraw/zinc/33/03/33/721330333.db2.gz BXTXLKBAUCSCSF-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776025 721330337 /nfs/dbraw/zinc/33/03/37/721330337.db2.gz BXTXLKBAUCSCSF-XMMPIXPASA-N 2 2 440.592 3.109 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164889459 721415690 /nfs/dbraw/zinc/41/56/90/721415690.db2.gz QRFHNRTVKOXFMU-NLFFAJNJSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889459 721415692 /nfs/dbraw/zinc/41/56/92/721415692.db2.gz QRFHNRTVKOXFMU-NLFFAJNJSA-N 2 2 440.588 3.017 20 0 IGADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890599 721418380 /nfs/dbraw/zinc/41/83/80/721418380.db2.gz UCDPNPYSNFQCES-ZJSXRUAMSA-N 2 2 448.055 3.096 20 0 IGADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890599 721418381 /nfs/dbraw/zinc/41/83/81/721418381.db2.gz UCDPNPYSNFQCES-ZJSXRUAMSA-N 2 2 448.055 3.096 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH+]cc21 ZINC001164801179 721573495 /nfs/dbraw/zinc/57/34/95/721573495.db2.gz GJQIXASIRQKTNE-FUDKSRODSA-N 2 2 435.528 3.003 20 0 IGADLP CCOC(=O)c1c[nH]c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH+]cc21 ZINC001164801179 721573497 /nfs/dbraw/zinc/57/34/97/721573497.db2.gz GJQIXASIRQKTNE-FUDKSRODSA-N 2 2 435.528 3.003 20 0 IGADLP Cc1cncc(COCc2cnc3n2CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)[C@@H]3C)c1 ZINC001164962830 722063141 /nfs/dbraw/zinc/06/31/41/722063141.db2.gz AHAHEDOWWSDYBN-HXUWFJFHSA-N 2 2 447.587 3.031 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164667891 719443424 /nfs/dbraw/zinc/44/34/24/719443424.db2.gz IEABGVWDSJKXAJ-NEWSRXKRSA-N 2 2 441.645 3.321 20 0 IGADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)c23)C1 ZINC001164667891 719443442 /nfs/dbraw/zinc/44/34/42/719443442.db2.gz IEABGVWDSJKXAJ-NEWSRXKRSA-N 2 2 441.645 3.321 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc[nH+]1 ZINC001164833380 720328686 /nfs/dbraw/zinc/32/86/86/720328686.db2.gz WKKRDPFHKXSXAR-NHCUHLMSSA-N 2 2 428.625 3.015 20 0 IGADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]cn1 ZINC001164833380 720328696 /nfs/dbraw/zinc/32/86/96/720328696.db2.gz WKKRDPFHKXSXAR-NHCUHLMSSA-N 2 2 428.625 3.015 20 0 IGADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164837914 720736452 /nfs/dbraw/zinc/73/64/52/720736452.db2.gz OTSCEVPDIKUJND-UHFFFAOYSA-N 2 2 443.599 3.284 20 0 IGADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164837914 720736456 /nfs/dbraw/zinc/73/64/56/720736456.db2.gz OTSCEVPDIKUJND-UHFFFAOYSA-N 2 2 443.599 3.284 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752632 720856730 /nfs/dbraw/zinc/85/67/30/720856730.db2.gz TZKMJDSAWQBDKC-DNVFCKCGSA-N 2 2 448.571 3.223 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752632 720856734 /nfs/dbraw/zinc/85/67/34/720856734.db2.gz TZKMJDSAWQBDKC-DNVFCKCGSA-N 2 2 448.571 3.223 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(NC(C)C)c(C)c[nH+]3)C2)C1 ZINC001164777364 721330210 /nfs/dbraw/zinc/33/02/10/721330210.db2.gz MMFUWBJQYFPCFY-HSZRJFAPSA-N 2 2 428.581 3.329 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(NC(C)C)c(C)c[nH+]3)C2)C1 ZINC001164777364 721330213 /nfs/dbraw/zinc/33/02/13/721330213.db2.gz MMFUWBJQYFPCFY-HSZRJFAPSA-N 2 2 428.581 3.329 20 0 IGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](CCOc5ccccc5)CC4)c3C2)cc1 ZINC001165042325 721953335 /nfs/dbraw/zinc/95/33/35/721953335.db2.gz JBWOYCBPEUVQAW-UHFFFAOYSA-N 2 2 429.568 3.236 20 0 IGADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](CCOc5ccccc5)CC4)c3C2)cc1 ZINC001165042325 721953337 /nfs/dbraw/zinc/95/33/37/721953337.db2.gz JBWOYCBPEUVQAW-UHFFFAOYSA-N 2 2 429.568 3.236 20 0 IGADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164412556 718876197 /nfs/dbraw/zinc/87/61/97/718876197.db2.gz WQEOGTAKORDIJH-HZPDHXFCSA-N 2 2 429.590 3.103 20 0 IGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703846 719876738 /nfs/dbraw/zinc/87/67/38/719876738.db2.gz KYRIBCAIHAIRBQ-RQTOMXEWSA-N 2 2 444.620 3.251 20 0 IGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703846 719876739 /nfs/dbraw/zinc/87/67/39/719876739.db2.gz KYRIBCAIHAIRBQ-RQTOMXEWSA-N 2 2 444.620 3.251 20 0 IGADLP COc1cc2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2cc1OC ZINC001164827933 720325570 /nfs/dbraw/zinc/32/55/70/720325570.db2.gz JFPAFCULKDVZBZ-RTWAWAEBSA-N 2 2 438.572 3.164 20 0 IGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c12 ZINC001164735226 720524637 /nfs/dbraw/zinc/52/46/37/720524637.db2.gz WSJKWSBIMZGVCV-NRFANRHFSA-N 2 2 429.572 3.491 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164841404 720558564 /nfs/dbraw/zinc/55/85/64/720558564.db2.gz UYFGIQPXUSSKHK-PWRODBHTSA-N 2 2 425.577 3.449 20 0 IGADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164841404 720558566 /nfs/dbraw/zinc/55/85/66/720558566.db2.gz UYFGIQPXUSSKHK-PWRODBHTSA-N 2 2 425.577 3.449 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752638 720856718 /nfs/dbraw/zinc/85/67/18/720856718.db2.gz TZKMJDSAWQBDKC-YCRNBWNJSA-N 2 2 448.571 3.223 20 0 IGADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752638 720856719 /nfs/dbraw/zinc/85/67/19/720856719.db2.gz TZKMJDSAWQBDKC-YCRNBWNJSA-N 2 2 448.571 3.223 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164753430 720867988 /nfs/dbraw/zinc/86/79/88/720867988.db2.gz PMUOJZHWFVZNOO-OFVILXPXSA-N 2 2 432.572 3.416 20 0 IGADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164753430 720867990 /nfs/dbraw/zinc/86/79/90/720867990.db2.gz PMUOJZHWFVZNOO-OFVILXPXSA-N 2 2 432.572 3.416 20 0 IGADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@H]2C1 ZINC001164858349 720875571 /nfs/dbraw/zinc/87/55/71/720875571.db2.gz KSIDLUKERCBJIO-GOTSBHOMSA-N 2 2 449.599 3.270 20 0 IGADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@H]2C1 ZINC001164858349 720875573 /nfs/dbraw/zinc/87/55/73/720875573.db2.gz KSIDLUKERCBJIO-GOTSBHOMSA-N 2 2 449.599 3.270 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758178 720903332 /nfs/dbraw/zinc/90/33/32/720903332.db2.gz XKJOAINHZIDURE-ZEQKJWHPSA-N 2 2 449.599 3.499 20 0 IGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758178 720903343 /nfs/dbraw/zinc/90/33/43/720903343.db2.gz XKJOAINHZIDURE-ZEQKJWHPSA-N 2 2 449.599 3.499 20 0 IGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1 ZINC001164780315 721357249 /nfs/dbraw/zinc/35/72/49/721357249.db2.gz GAWBZURKAMBYBR-DEOSSOPVSA-N 2 2 440.592 3.191 20 0 IGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCCC4)cc[nH+]3)C2)C1 ZINC001164780315 721357254 /nfs/dbraw/zinc/35/72/54/721357254.db2.gz GAWBZURKAMBYBR-DEOSSOPVSA-N 2 2 440.592 3.191 20 0 IGADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164789554 721410623 /nfs/dbraw/zinc/41/06/23/721410623.db2.gz VCCGLEPEZFWSHH-HZPDHXFCSA-N 2 2 440.573 3.003 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164889457 721415656 /nfs/dbraw/zinc/41/56/56/721415656.db2.gz QRFHNRTVKOXFMU-CPJSRVTESA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889457 721415658 /nfs/dbraw/zinc/41/56/58/721415658.db2.gz QRFHNRTVKOXFMU-CPJSRVTESA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc2cc1OC ZINC001164893138 721438579 /nfs/dbraw/zinc/43/85/79/721438579.db2.gz JIINMAFCRAOURH-OFVILXPXSA-N 2 2 440.588 3.017 20 0 IGADLP COc1cc2c[nH+]c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc2cc1OC ZINC001164893138 721438582 /nfs/dbraw/zinc/43/85/82/721438582.db2.gz JIINMAFCRAOURH-OFVILXPXSA-N 2 2 440.588 3.017 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164790554 721448003 /nfs/dbraw/zinc/44/80/03/721448003.db2.gz ZCWHELSFXDETAZ-JOCHJYFZSA-N 2 2 443.636 3.119 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)c(C)c[nH+]1)CC2 ZINC001164790554 721448005 /nfs/dbraw/zinc/44/80/05/721448005.db2.gz ZCWHELSFXDETAZ-JOCHJYFZSA-N 2 2 443.636 3.119 20 0 IGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164785013 721460577 /nfs/dbraw/zinc/46/05/77/721460577.db2.gz LFIMBUPTCIHGPK-HXUWFJFHSA-N 2 2 427.593 3.309 20 0 IGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164785013 721460578 /nfs/dbraw/zinc/46/05/78/721460578.db2.gz LFIMBUPTCIHGPK-HXUWFJFHSA-N 2 2 427.593 3.309 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164787987 721467026 /nfs/dbraw/zinc/46/70/26/721467026.db2.gz HIZRRQFFVLEIKZ-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164787987 721467028 /nfs/dbraw/zinc/46/70/28/721467028.db2.gz HIZRRQFFVLEIKZ-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164787987 721467029 /nfs/dbraw/zinc/46/70/29/721467029.db2.gz HIZRRQFFVLEIKZ-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164787987 721467031 /nfs/dbraw/zinc/46/70/31/721467031.db2.gz HIZRRQFFVLEIKZ-QFIPXVFZSA-N 2 2 443.636 3.201 20 0 IGADLP