smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 ZINC000000854871 559289583 /nfs/dbraw/zinc/28/95/83/559289583.db2.gz YJJWJEWCRYAVJK-UHFFFAOYSA-N 1 2 423.516 5.867 40 0 HKABLO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCc1ccc(C(C)(C)C)cc1 ZINC000000929959 560557844 /nfs/dbraw/zinc/55/78/44/560557844.db2.gz BWKZPABRBHHNEF-UHFFFAOYSA-N 1 2 405.571 5.066 40 0 HKABLO CCOc1ccc(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)cc1 ZINC000001327100 560573410 /nfs/dbraw/zinc/57/34/10/560573410.db2.gz WBCDNGFUQIENLY-UHFFFAOYSA-N 1 2 408.571 5.155 40 0 HKABLO Cc1cc2[nH]c(C3CCN(C(=O)Nc4ccccc4-c4ccccc4)CC3)[nH+]c2cc1C ZINC000001327386 560573473 /nfs/dbraw/zinc/57/34/73/560573473.db2.gz WTFQWZUCBVZJOB-UHFFFAOYSA-N 1 2 424.548 6.258 40 0 HKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001346668 557256905 /nfs/dbraw/zinc/25/69/05/557256905.db2.gz BDIQFGJKZRDOCB-UHFFFAOYSA-N 1 2 415.305 5.097 40 0 HKABLO CCOc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350049 560576707 /nfs/dbraw/zinc/57/67/07/560576707.db2.gz IZWCIOQEOROIIE-QGZVFWFLSA-N 1 2 408.571 5.155 40 0 HKABLO CCOc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350055 560576674 /nfs/dbraw/zinc/57/66/74/560576674.db2.gz IZWCIOQEOROIIE-KRWDZBQOSA-N 1 2 408.571 5.155 40 0 HKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)[nH+]c2cc1C ZINC000001350336 560576691 /nfs/dbraw/zinc/57/66/91/560576691.db2.gz RGYKVJXWMJFHKT-HNNXBMFYSA-N 1 2 416.447 5.610 40 0 HKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)[nH+]c2cc1C ZINC000001350338 560576671 /nfs/dbraw/zinc/57/66/71/560576671.db2.gz RGYKVJXWMJFHKT-OAHLLOKOSA-N 1 2 416.447 5.610 40 0 HKABLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cc(Cl)ccc1Cl ZINC000001359057 560578314 /nfs/dbraw/zinc/57/83/14/560578314.db2.gz DBIWRLGYYRHSPA-UHFFFAOYSA-N 1 2 420.365 5.421 40 0 HKABLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(Cl)c1Cl ZINC000001359060 560578339 /nfs/dbraw/zinc/57/83/39/560578339.db2.gz JYWOGYQKVMNBHC-UHFFFAOYSA-N 1 2 420.365 5.421 40 0 HKABLO Cc1cc2[nH]c(CCN(C(=S)NCc3ccccc3)C3CCCC3)[nH+]c2cc1C ZINC000001360826 560578622 /nfs/dbraw/zinc/57/86/22/560578622.db2.gz KOLLSHJUCHRNTK-UHFFFAOYSA-N 1 2 406.599 5.042 40 0 HKABLO Cc1cc2[nH]c(CCN(C(=S)NCCc3ccccc3)C3CCCC3)[nH+]c2cc1C ZINC000001360827 560578618 /nfs/dbraw/zinc/57/86/18/560578618.db2.gz JDYVPVOEUXSAQM-UHFFFAOYSA-N 1 2 420.626 5.084 40 0 HKABLO Cc1cc2[nH]c(CCN(C(=O)Nc3ccc(F)cc3F)C3CCCC3)[nH+]c2cc1C ZINC000001360868 557257218 /nfs/dbraw/zinc/25/72/18/557257218.db2.gz LLDWUQNYBORROQ-UHFFFAOYSA-N 1 2 412.484 5.477 40 0 HKABLO CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)[nH+]c2ccccc21)[C@@H](C)COC ZINC000001470658 557269460 /nfs/dbraw/zinc/26/94/60/557269460.db2.gz JCXOHJHUUOSSNL-FQEVSTJZSA-N 1 2 421.585 5.174 40 0 HKABLO CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)[nH+]c2ccccc21)[C@H](C)COC ZINC000001470659 557269480 /nfs/dbraw/zinc/26/94/80/557269480.db2.gz JCXOHJHUUOSSNL-HXUWFJFHSA-N 1 2 421.585 5.174 40 0 HKABLO COc1ccc([C@@H](Nc2cccc[nH+]2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000001580476 557273711 /nfs/dbraw/zinc/27/37/11/557273711.db2.gz ZGYUEKDQJPSILA-XMMPIXPASA-N 1 2 418.581 6.592 40 0 HKABLO CCCCOc1ccc(Nc2c(C(=O)OCC)c[nH+]c3cc4c(cc32)OCO4)cc1 ZINC000001586150 557274405 /nfs/dbraw/zinc/27/44/05/557274405.db2.gz XUHXNEJKDOTHOX-UHFFFAOYSA-N 1 2 408.454 5.063 40 0 HKABLO CCOC(=O)c1c[nH+]c2ccc(C3CCCCC3)cc2c1Nc1ccc2c(c1)OCO2 ZINC000001590484 557274966 /nfs/dbraw/zinc/27/49/66/557274966.db2.gz ZQNRPFJPJJQKMS-UHFFFAOYSA-N 1 2 418.493 5.932 40 0 HKABLO CCCC[C@H](c1[nH+]c2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F ZINC000001697507 557281374 /nfs/dbraw/zinc/28/13/74/557281374.db2.gz PKDWBENDGQEAMH-MRXNPFEDSA-N 1 2 423.441 5.969 40 0 HKABLO COc1cccc([C@H](Nc2cccc[nH+]2)c2c3ccccc3n(O)c2-c2ccccc2)c1 ZINC000002667936 557366345 /nfs/dbraw/zinc/36/63/45/557366345.db2.gz BUVAWIJPNDAMSR-SANMLTNESA-N 1 2 421.500 6.151 40 0 HKABLO COc1cccc([C@@H](Nc2cccc[nH+]2)c2c3ccccc3n(O)c2-c2ccccc2)c1 ZINC000002667937 557366282 /nfs/dbraw/zinc/36/62/82/557366282.db2.gz BUVAWIJPNDAMSR-AREMUKBSSA-N 1 2 421.500 6.151 40 0 HKABLO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cc(C)ccc2C)cc1 ZINC000002715176 557369686 /nfs/dbraw/zinc/36/96/86/557369686.db2.gz PGGBCZLLSCOHNE-UHFFFAOYSA-N 1 2 420.516 6.457 40 0 HKABLO CCOc1ccccc1NC(=S)N1CCC[C@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000004858927 560612593 /nfs/dbraw/zinc/61/25/93/560612593.db2.gz PCXINWUSMNEJAK-KRWDZBQOSA-N 1 2 408.571 5.155 40 0 HKABLO CCOc1ccccc1NC(=S)N1CCC[C@@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000004858928 560612570 /nfs/dbraw/zinc/61/25/70/560612570.db2.gz PCXINWUSMNEJAK-QGZVFWFLSA-N 1 2 408.571 5.155 40 0 HKABLO Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4cc[nH+]c4)n3n2)c1 ZINC000004902554 560617412 /nfs/dbraw/zinc/61/74/12/560617412.db2.gz DXGPUBNYRJNCBE-UHFFFAOYSA-N 1 2 408.509 5.070 40 0 HKABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000004966666 560621715 /nfs/dbraw/zinc/62/17/15/560621715.db2.gz LZDYAVVCXYAOEN-UHFFFAOYSA-N 1 2 414.505 5.012 40 0 HKABLO Cc1cc2[nH]c(C3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)[nH+]c2cc1C ZINC000004967201 560621987 /nfs/dbraw/zinc/62/19/87/560621987.db2.gz CJWYLERQMAUBIU-UHFFFAOYSA-N 1 2 406.574 5.038 40 0 HKABLO Clc1ccc([C@H](CCc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000005386097 557650165 /nfs/dbraw/zinc/65/01/65/557650165.db2.gz GLPUKJFKRFMDSY-OAHLLOKOSA-N 1 2 424.169 6.369 40 0 HKABLO COc1ccc([C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2cc[nH+]c2)cc1 ZINC000005464142 557655399 /nfs/dbraw/zinc/65/53/99/557655399.db2.gz YNYWQUWRGILPNE-SANMLTNESA-N 1 2 406.570 6.004 40 0 HKABLO CCCC[C@@H](c1[nH+]c2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F ZINC000005499243 557658226 /nfs/dbraw/zinc/65/82/26/557658226.db2.gz PKDWBENDGQEAMH-INIZCTEOSA-N 1 2 423.441 5.969 40 0 HKABLO COc1ccc([C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2cc[nH+]c2)cc1 ZINC000005500959 557658325 /nfs/dbraw/zinc/65/83/25/557658325.db2.gz YNYWQUWRGILPNE-AREMUKBSSA-N 1 2 406.570 6.004 40 0 HKABLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625536 560627960 /nfs/dbraw/zinc/62/79/60/560627960.db2.gz KDCAFKGUIBMJKM-UHFFFAOYSA-N 1 2 424.976 5.159 40 0 HKABLO COc1ccc(C[NH2+]SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000005662777 557667157 /nfs/dbraw/zinc/66/71/57/557667157.db2.gz QOECKKNGZZWTNW-UHFFFAOYSA-N 1 2 411.570 6.425 40 0 HKABLO COc1ccc([C@H](Nc2cccc[nH+]2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000005714791 557670041 /nfs/dbraw/zinc/67/00/41/557670041.db2.gz ZGYUEKDQJPSILA-DEOSSOPVSA-N 1 2 418.581 6.592 40 0 HKABLO Nc1ccc(S(=O)(=O)c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1 ZINC000006244653 557695860 /nfs/dbraw/zinc/69/58/60/557695860.db2.gz QNGKBSUKGVNHOT-UHFFFAOYSA-N 1 2 409.898 5.047 40 0 HKABLO CCCCCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000006417574 560742006 /nfs/dbraw/zinc/74/20/06/560742006.db2.gz HOFJNITUAMPVCP-UHFFFAOYSA-N 1 2 407.562 5.402 40 0 HKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 ZINC000006630113 560744604 /nfs/dbraw/zinc/74/46/04/560744604.db2.gz DJQOIHRUYIEGAH-UHFFFAOYSA-N 1 2 413.525 5.136 40 0 HKABLO Cc1ccc(C[NH2+][C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1 ZINC000006825882 557725588 /nfs/dbraw/zinc/72/55/88/557725588.db2.gz HQSTXBSMJGTQRO-NRFANRHFSA-N 1 2 407.876 5.717 40 0 HKABLO Cc1ccc(C[NH2+][C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1 ZINC000006825891 557725676 /nfs/dbraw/zinc/72/56/76/557725676.db2.gz HQSTXBSMJGTQRO-OAQYLSRUSA-N 1 2 407.876 5.717 40 0 HKABLO CCOc1ccc(C(=O)CN(c2cccc(C(F)(F)F)c2)C2=[NH+]CCCCC2)cc1 ZINC000006870322 568462928 /nfs/dbraw/zinc/46/29/28/568462928.db2.gz DGGGVFASOSCWFS-UHFFFAOYSA-N 1 2 418.459 5.766 40 0 HKABLO COc1ccc(C(=O)CN(c2ccc(Br)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275399 568479525 /nfs/dbraw/zinc/47/95/25/568479525.db2.gz XWTFDRGKZVLMSF-UHFFFAOYSA-N 1 2 415.331 5.120 40 0 HKABLO COc1ccc(C(=O)CN(c2cccc(C(F)(F)F)c2)C2=[NH+]CCCCC2)cc1 ZINC000007275430 568479470 /nfs/dbraw/zinc/47/94/70/568479470.db2.gz ZMZRVLDUAHLYGG-UHFFFAOYSA-N 1 2 404.432 5.376 40 0 HKABLO COc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=[NH+]CCCCC1 ZINC000007276433 568479507 /nfs/dbraw/zinc/47/95/07/568479507.db2.gz RMKBKGONGLAMQG-UHFFFAOYSA-N 1 2 415.331 5.120 40 0 HKABLO COc1ccccc1N(CC(=O)c1ccc(-c2ccccc2)cc1)C1=[NH+]CCCCC1 ZINC000007276449 568479484 /nfs/dbraw/zinc/47/94/84/568479484.db2.gz KGSHDSJDEJHMJK-UHFFFAOYSA-N 1 2 412.533 6.024 40 0 HKABLO COc1cc(C[NH2+]C23CC4CC(C)(CC(C)(C4)C2)C3)ccc1OCCc1ccccc1 ZINC000007540041 557746075 /nfs/dbraw/zinc/74/60/75/557746075.db2.gz DBPOWTOIQGZGMO-VLTVRWITSA-N 1 2 419.609 6.155 40 0 HKABLO CCCCOc1ccc([C@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)OCC)cc1 ZINC000008306552 557780790 /nfs/dbraw/zinc/78/07/90/557780790.db2.gz GRRUIRNKIVYIGU-JOCHJYFZSA-N 1 2 405.498 5.176 40 0 HKABLO CCCCOc1ccc([C@@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)OCC)cc1 ZINC000008306553 557780745 /nfs/dbraw/zinc/78/07/45/557780745.db2.gz GRRUIRNKIVYIGU-QFIPXVFZSA-N 1 2 405.498 5.176 40 0 HKABLO COc1ccc2c(c1)nc(SCc1cn3ccc(C)cc3[nH+]1)cc2C(F)(F)F ZINC000008416500 557787508 /nfs/dbraw/zinc/78/75/08/557787508.db2.gz OKKJKSBSUFGCFY-UHFFFAOYSA-N 1 2 403.429 5.511 40 0 HKABLO O=C(CN(c1cccc(Cl)c1)C1=[NH+]CCCCC1)c1ccc(Br)cc1 ZINC000008418247 568938255 /nfs/dbraw/zinc/93/82/55/568938255.db2.gz KBNPYVPMILVNJR-UHFFFAOYSA-N 1 2 419.750 5.764 40 0 HKABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1ccc(Cl)cc1 ZINC000008418601 568500642 /nfs/dbraw/zinc/50/06/42/568500642.db2.gz JTBGALIQGQPBMJ-UHFFFAOYSA-N 1 2 419.750 5.764 40 0 HKABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1ccc(F)cc1 ZINC000008418604 568500689 /nfs/dbraw/zinc/50/06/89/568500689.db2.gz VCAIIPGPAPTZEB-UHFFFAOYSA-N 1 2 403.295 5.250 40 0 HKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(Br)cc1 ZINC000008418612 568938338 /nfs/dbraw/zinc/93/83/38/568938338.db2.gz ZBMFLAXIWCAMIQ-UHFFFAOYSA-N 1 2 419.750 5.764 40 0 HKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(OC(F)F)cc1 ZINC000008418619 568500683 /nfs/dbraw/zinc/50/06/83/568500683.db2.gz HQLNFNBLLAKPLW-UHFFFAOYSA-N 1 2 406.860 5.603 40 0 HKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008418840 568500627 /nfs/dbraw/zinc/50/06/27/568500627.db2.gz UECLPALSIIYURT-UHFFFAOYSA-N 1 2 409.744 6.309 40 0 HKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008436372 568501095 /nfs/dbraw/zinc/50/10/95/568501095.db2.gz XAVBTAPWFLIPFX-UHFFFAOYSA-N 1 2 416.952 6.669 40 0 HKABLO O=c1c(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185697 558344866 /nfs/dbraw/zinc/34/48/66/558344866.db2.gz JYSPBWPEHSHMOS-QFIPXVFZSA-N 1 2 418.468 5.704 40 0 HKABLO O=c1c(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185697 558344870 /nfs/dbraw/zinc/34/48/70/558344870.db2.gz JYSPBWPEHSHMOS-QFIPXVFZSA-N 1 2 418.468 5.704 40 0 HKABLO O=c1c(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185701 558345009 /nfs/dbraw/zinc/34/50/09/558345009.db2.gz JYSPBWPEHSHMOS-JOCHJYFZSA-N 1 2 418.468 5.704 40 0 HKABLO O=c1c(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185701 558345011 /nfs/dbraw/zinc/34/50/11/558345011.db2.gz JYSPBWPEHSHMOS-JOCHJYFZSA-N 1 2 418.468 5.704 40 0 HKABLO c1csc(-c2nc(NCc3cccc(-n4cc[nH+]c4)c3)ncc2-c2ccsc2)n1 ZINC000012221805 558356073 /nfs/dbraw/zinc/35/60/73/558356073.db2.gz REMMJJQRNTVSDJ-UHFFFAOYSA-N 1 2 416.535 5.126 40 0 HKABLO O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000012851080 569326723 /nfs/dbraw/zinc/32/67/23/569326723.db2.gz CRLQJTSACHTAGF-LAJGZZDBSA-N 1 2 403.525 6.209 40 0 HKABLO c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc(C4CCCCC4)ccc3[nH+]2)cc1 ZINC000013213443 558525916 /nfs/dbraw/zinc/52/59/16/558525916.db2.gz QZUUGTOVWGFKHF-UHFFFAOYSA-N 1 2 422.528 7.422 40 0 HKABLO Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2cccc3ccccc32)[nH+]1 ZINC000013285058 558529081 /nfs/dbraw/zinc/52/90/81/558529081.db2.gz JAJRIBVNNIVHRR-UHFFFAOYSA-N 1 2 411.292 5.347 40 0 HKABLO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563875 560816313 /nfs/dbraw/zinc/81/63/13/560816313.db2.gz UOQCIPNRRTWTDY-AREMUKBSSA-N 1 2 408.545 5.999 40 0 HKABLO CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563875 560816314 /nfs/dbraw/zinc/81/63/14/560816314.db2.gz UOQCIPNRRTWTDY-AREMUKBSSA-N 1 2 408.545 5.999 40 0 HKABLO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563876 560816306 /nfs/dbraw/zinc/81/63/06/560816306.db2.gz UOQCIPNRRTWTDY-SANMLTNESA-N 1 2 408.545 5.999 40 0 HKABLO CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563876 560816307 /nfs/dbraw/zinc/81/63/07/560816307.db2.gz UOQCIPNRRTWTDY-SANMLTNESA-N 1 2 408.545 5.999 40 0 HKABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@H](CC)O3 ZINC000013563879 560816329 /nfs/dbraw/zinc/81/63/29/560816329.db2.gz QRIVUDSBIADMNI-FQEVSTJZSA-N 1 2 406.526 5.205 40 0 HKABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@H](CC)O3 ZINC000013563879 560816330 /nfs/dbraw/zinc/81/63/30/560816330.db2.gz QRIVUDSBIADMNI-FQEVSTJZSA-N 1 2 406.526 5.205 40 0 HKABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@@H](CC)O3 ZINC000013563880 560816324 /nfs/dbraw/zinc/81/63/24/560816324.db2.gz QRIVUDSBIADMNI-HXUWFJFHSA-N 1 2 406.526 5.205 40 0 HKABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@@H](CC)O3 ZINC000013563880 560816325 /nfs/dbraw/zinc/81/63/25/560816325.db2.gz QRIVUDSBIADMNI-HXUWFJFHSA-N 1 2 406.526 5.205 40 0 HKABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569738 560814387 /nfs/dbraw/zinc/81/43/87/560814387.db2.gz UQNFZVMUHPOTHA-UHFFFAOYSA-N 1 2 402.567 5.207 40 0 HKABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569738 560814389 /nfs/dbraw/zinc/81/43/89/560814389.db2.gz UQNFZVMUHPOTHA-UHFFFAOYSA-N 1 2 402.567 5.207 40 0 HKABLO O=C(N1CC[NH+](/C=C/c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013574438 558543072 /nfs/dbraw/zinc/54/30/72/558543072.db2.gz CGBKBDUXYOXIOT-CCEZHUSRSA-N 1 2 413.546 5.698 40 0 HKABLO O=C1[C@@H](c2ccccc2)[C@H](c2cccs2)[NH2+][C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000013799778 558594587 /nfs/dbraw/zinc/59/45/87/558594587.db2.gz UCZYTGZNLXWZAW-NEWJYFPISA-N 1 2 415.583 6.332 40 0 HKABLO COc1ccc2cc(C[N@H+](Cc3ccncc3)Cc3ccc(C)cc3)c(OC)nc2c1 ZINC000013989366 560831289 /nfs/dbraw/zinc/83/12/89/560831289.db2.gz GJJXOKOKFIUEIX-UHFFFAOYSA-N 1 2 413.521 5.158 40 0 HKABLO COc1ccc2cc(C[N@@H+](Cc3ccncc3)Cc3ccc(C)cc3)c(OC)nc2c1 ZINC000013989366 560831290 /nfs/dbraw/zinc/83/12/90/560831290.db2.gz GJJXOKOKFIUEIX-UHFFFAOYSA-N 1 2 413.521 5.158 40 0 HKABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2cc(Cl)c3ccccc3n2)CC1 ZINC000013999020 560832208 /nfs/dbraw/zinc/83/22/08/560832208.db2.gz ZGWGQUWYYQIPNV-QFIPXVFZSA-N 1 2 424.980 5.201 40 0 HKABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2cc(Cl)c3ccccc3n2)CC1 ZINC000013999021 560832205 /nfs/dbraw/zinc/83/22/05/560832205.db2.gz ZGWGQUWYYQIPNV-JOCHJYFZSA-N 1 2 424.980 5.201 40 0 HKABLO C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162417 560839345 /nfs/dbraw/zinc/83/93/45/560839345.db2.gz QGTXVWQWWVHIBP-XGCWNURASA-N 1 2 411.549 5.114 40 0 HKABLO C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162420 560839359 /nfs/dbraw/zinc/83/93/59/560839359.db2.gz QGTXVWQWWVHIBP-CBZJRKILSA-N 1 2 411.549 5.114 40 0 HKABLO C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162423 560839366 /nfs/dbraw/zinc/83/93/66/560839366.db2.gz QGTXVWQWWVHIBP-CRYYWNKWSA-N 1 2 411.549 5.114 40 0 HKABLO C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162426 560839362 /nfs/dbraw/zinc/83/93/62/560839362.db2.gz QGTXVWQWWVHIBP-SOKVYYICSA-N 1 2 411.549 5.114 40 0 HKABLO Cc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675664 291297610 /nfs/dbraw/zinc/29/76/10/291297610.db2.gz IFMZKPMUSDKYKI-DEOSSOPVSA-N 1 2 421.504 5.221 40 0 biogenic,in-vitro HKABLO COc1ccc2c(c1)nc(SCc1cn3cc(Cl)ccc3[nH+]1)cc2C(F)(F)F ZINC000016227855 558779739 /nfs/dbraw/zinc/77/97/39/558779739.db2.gz PSBUWKWNJXGGFA-UHFFFAOYSA-N 1 2 423.847 5.856 40 0 HKABLO Cc1cccc2[nH+]c(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)cn21 ZINC000016362504 558788141 /nfs/dbraw/zinc/78/81/41/558788141.db2.gz LGIMGPNNIHXGJT-UHFFFAOYSA-N 1 2 417.412 5.231 40 0 HKABLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000016608623 560861074 /nfs/dbraw/zinc/86/10/74/560861074.db2.gz PQOGPQCDZDICOM-HGTKMLMNSA-N 1 2 422.784 5.377 40 0 HKABLO CCSc1nc2sc3c(c2c(SCC)n1)CC[N@@H+](Cc1ccccc1)C3 ZINC000016693643 558800519 /nfs/dbraw/zinc/80/05/19/558800519.db2.gz FRBXIARPZZPWCV-UHFFFAOYSA-N 1 2 401.626 5.474 40 0 HKABLO CCSc1nc2sc3c(c2c(SCC)n1)CC[N@H+](Cc1ccccc1)C3 ZINC000016693643 558800522 /nfs/dbraw/zinc/80/05/22/558800522.db2.gz FRBXIARPZZPWCV-UHFFFAOYSA-N 1 2 401.626 5.474 40 0 HKABLO Cc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757543 558805764 /nfs/dbraw/zinc/80/57/64/558805764.db2.gz QSJIAGRUEVCJHF-UHFFFAOYSA-N 1 2 407.542 6.688 40 0 HKABLO CCOC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757549 558805789 /nfs/dbraw/zinc/80/57/89/558805789.db2.gz URJGHJVOQZZKCW-MRXNPFEDSA-N 1 2 403.507 5.131 40 0 HKABLO CCOC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757552 558805821 /nfs/dbraw/zinc/80/58/21/558805821.db2.gz URJGHJVOQZZKCW-INIZCTEOSA-N 1 2 403.507 5.131 40 0 HKABLO C[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757561 558805812 /nfs/dbraw/zinc/80/58/12/558805812.db2.gz AVWIIEVBHPJBOH-LJQANCHMSA-N 1 2 407.542 6.941 40 0 HKABLO C[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757564 558805996 /nfs/dbraw/zinc/80/59/96/558805996.db2.gz AVWIIEVBHPJBOH-IBGZPJMESA-N 1 2 407.542 6.941 40 0 HKABLO Fc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000016757570 558805936 /nfs/dbraw/zinc/80/59/36/558805936.db2.gz HDCMPWCVMUFWQC-UHFFFAOYSA-N 1 2 411.505 6.519 40 0 HKABLO CC[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC ZINC000016757573 558805975 /nfs/dbraw/zinc/80/59/75/558805975.db2.gz QFMNVPDZXSIUEG-LJQANCHMSA-N 1 2 403.507 5.131 40 0 HKABLO CC[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC ZINC000016757576 558805969 /nfs/dbraw/zinc/80/59/69/558805969.db2.gz QFMNVPDZXSIUEG-IBGZPJMESA-N 1 2 403.507 5.131 40 0 HKABLO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757588 558805953 /nfs/dbraw/zinc/80/59/53/558805953.db2.gz IWQDMFVHZKYRGF-HXUWFJFHSA-N 1 2 417.534 5.521 40 0 HKABLO CCOC(=O)[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757591 558805943 /nfs/dbraw/zinc/80/59/43/558805943.db2.gz IWQDMFVHZKYRGF-FQEVSTJZSA-N 1 2 417.534 5.521 40 0 HKABLO Cc1ccccc1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757594 558806007 /nfs/dbraw/zinc/80/60/07/558806007.db2.gz WDJYHZOZYRGJJN-UHFFFAOYSA-N 1 2 407.542 6.688 40 0 HKABLO Cc1ccc(C)c(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757608 558805979 /nfs/dbraw/zinc/80/59/79/558805979.db2.gz AFAGYTPBBNAYDG-UHFFFAOYSA-N 1 2 421.569 6.997 40 0 HKABLO Cc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000016757610 558805914 /nfs/dbraw/zinc/80/59/14/558805914.db2.gz YFVBQTOPGRRCKF-UHFFFAOYSA-N 1 2 407.542 6.688 40 0 HKABLO Fc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757621 558805909 /nfs/dbraw/zinc/80/59/09/558805909.db2.gz ARBURHAFJWQWHW-UHFFFAOYSA-N 1 2 411.505 6.519 40 0 HKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757626 558805901 /nfs/dbraw/zinc/80/59/01/558805901.db2.gz RAWRLGKEKIMPMG-UHFFFAOYSA-N 1 2 421.525 6.063 40 0 HKABLO CCOC(=O)C(C)(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757629 558805890 /nfs/dbraw/zinc/80/58/90/558805890.db2.gz WJRUGYGWMDLAOL-UHFFFAOYSA-N 1 2 417.534 5.521 40 0 HKABLO Cc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)c1 ZINC000016757646 558805920 /nfs/dbraw/zinc/80/59/20/558805920.db2.gz MYWIESVHBYKIAU-UHFFFAOYSA-N 1 2 421.569 6.997 40 0 HKABLO CCOC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757652 558805957 /nfs/dbraw/zinc/80/59/57/558805957.db2.gz ZCEKXEZJKXEJJN-QGZVFWFLSA-N 1 2 417.534 5.440 40 0 HKABLO CCOC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757655 558805880 /nfs/dbraw/zinc/80/58/80/558805880.db2.gz ZCEKXEZJKXEJJN-KRWDZBQOSA-N 1 2 417.534 5.440 40 0 HKABLO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757658 558806017 /nfs/dbraw/zinc/80/60/17/558806017.db2.gz AQPHXWWHHCAQET-MRXNPFEDSA-N 1 2 403.507 5.050 40 0 HKABLO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757660 558805876 /nfs/dbraw/zinc/80/58/76/558805876.db2.gz AQPHXWWHHCAQET-INIZCTEOSA-N 1 2 403.507 5.050 40 0 HKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3S[C@H](C)c2ccccc2)c1 ZINC000016757663 558805930 /nfs/dbraw/zinc/80/59/30/558805930.db2.gz CUMSMNYZJHPVLT-HXUWFJFHSA-N 1 2 421.569 7.249 40 0 HKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3S[C@@H](C)c2ccccc2)c1 ZINC000016757666 558805963 /nfs/dbraw/zinc/80/59/63/558805963.db2.gz CUMSMNYZJHPVLT-FQEVSTJZSA-N 1 2 421.569 7.249 40 0 HKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2)c1 ZINC000016757668 558805947 /nfs/dbraw/zinc/80/59/47/558805947.db2.gz DLTFVVAKTCCJFS-UHFFFAOYSA-N 1 2 407.542 6.688 40 0 HKABLO CC[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC ZINC000016757674 558806012 /nfs/dbraw/zinc/80/60/12/558806012.db2.gz ZYFBSKQHWKUEPK-HXUWFJFHSA-N 1 2 417.534 5.440 40 0 HKABLO CC[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC ZINC000016757677 558806001 /nfs/dbraw/zinc/80/60/01/558806001.db2.gz ZYFBSKQHWKUEPK-FQEVSTJZSA-N 1 2 417.534 5.440 40 0 HKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2C)c1 ZINC000016757693 558805897 /nfs/dbraw/zinc/80/58/97/558805897.db2.gz YRAZPORURDAUBH-UHFFFAOYSA-N 1 2 421.569 6.997 40 0 HKABLO Cc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000016757709 558805927 /nfs/dbraw/zinc/80/59/27/558805927.db2.gz WWDOWXXBFPWVAX-UHFFFAOYSA-N 1 2 421.569 6.997 40 0 HKABLO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757723 558805905 /nfs/dbraw/zinc/80/59/05/558805905.db2.gz ZMIXRXDLHZDABY-UHFFFAOYSA-N 1 2 403.507 5.051 40 0 HKABLO CC(=O)C[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757731 558805893 /nfs/dbraw/zinc/80/58/93/558805893.db2.gz IWZLZSIPBRRFCQ-SFHVURJKSA-N 1 2 401.535 5.856 40 0 HKABLO CC(=O)C[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757733 558805886 /nfs/dbraw/zinc/80/58/86/558805886.db2.gz IWZLZSIPBRRFCQ-GOSISDBHSA-N 1 2 401.535 5.856 40 0 HKABLO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757752 558805990 /nfs/dbraw/zinc/80/59/90/558805990.db2.gz MSOQWNITYUUUHN-CQSZACIVSA-N 1 2 423.925 5.395 40 0 HKABLO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757755 558805986 /nfs/dbraw/zinc/80/59/86/558805986.db2.gz MSOQWNITYUUUHN-AWEZNQCLSA-N 1 2 423.925 5.395 40 0 HKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757793 558805883 /nfs/dbraw/zinc/80/58/83/558805883.db2.gz MUUAETUNIIXBPL-OAHLLOKOSA-N 1 2 407.926 5.811 40 0 HKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757795 558806101 /nfs/dbraw/zinc/80/61/01/558806101.db2.gz MUUAETUNIIXBPL-HNNXBMFYSA-N 1 2 407.926 5.811 40 0 HKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757798 558806104 /nfs/dbraw/zinc/80/61/04/558806104.db2.gz WLMMFVPIFULVSQ-UHFFFAOYSA-N 1 2 407.970 7.023 40 0 HKABLO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757820 558806142 /nfs/dbraw/zinc/80/61/42/558806142.db2.gz RUOZBLLCKGACGU-UHFFFAOYSA-N 1 2 423.925 5.396 40 0 HKABLO CC(=O)C[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757829 558806113 /nfs/dbraw/zinc/80/61/13/558806113.db2.gz FFDZWNGXIYUCTL-INIZCTEOSA-N 1 2 421.953 6.201 40 0 HKABLO CC(=O)C[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757832 558806054 /nfs/dbraw/zinc/80/60/54/558806054.db2.gz FFDZWNGXIYUCTL-MRXNPFEDSA-N 1 2 421.953 6.201 40 0 HKABLO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757854 558806092 /nfs/dbraw/zinc/80/60/92/558806092.db2.gz KXDJQPNGZDWAAN-CQSZACIVSA-N 1 2 423.925 5.395 40 0 HKABLO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757856 558806088 /nfs/dbraw/zinc/80/60/88/558806088.db2.gz KXDJQPNGZDWAAN-AWEZNQCLSA-N 1 2 423.925 5.395 40 0 HKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757889 558806129 /nfs/dbraw/zinc/80/61/29/558806129.db2.gz DHCQVASLPLHVEU-OAHLLOKOSA-N 1 2 407.926 5.811 40 0 HKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757892 558806132 /nfs/dbraw/zinc/80/61/32/558806132.db2.gz DHCQVASLPLHVEU-HNNXBMFYSA-N 1 2 407.926 5.811 40 0 HKABLO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757914 558806121 /nfs/dbraw/zinc/80/61/21/558806121.db2.gz ZZVSUGZIPBDACM-UHFFFAOYSA-N 1 2 423.925 5.396 40 0 HKABLO CC(=O)C[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757922 558806062 /nfs/dbraw/zinc/80/60/62/558806062.db2.gz IZTQXHAPWWZDEK-INIZCTEOSA-N 1 2 421.953 6.201 40 0 HKABLO CC(=O)C[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757925 558806079 /nfs/dbraw/zinc/80/60/79/558806079.db2.gz IZTQXHAPWWZDEK-MRXNPFEDSA-N 1 2 421.953 6.201 40 0 HKABLO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757931 558806096 /nfs/dbraw/zinc/80/60/96/558806096.db2.gz FJADQKNJSIIHME-UHFFFAOYSA-N 1 2 424.367 6.352 40 0 HKABLO CCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757934 558806064 /nfs/dbraw/zinc/80/60/64/558806064.db2.gz KJPXAMNQQKQDIB-UHFFFAOYSA-N 1 2 410.340 5.962 40 0 HKABLO CC(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758002 558806147 /nfs/dbraw/zinc/80/61/47/558806147.db2.gz RGDBVTAIEIUVRL-UHFFFAOYSA-N 1 2 424.367 6.351 40 0 HKABLO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758051 558806109 /nfs/dbraw/zinc/80/61/09/558806109.db2.gz UEGIXXUSSQDCBZ-MRXNPFEDSA-N 1 2 407.970 6.940 40 0 HKABLO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758053 558806155 /nfs/dbraw/zinc/80/61/55/558806155.db2.gz UEGIXXUSSQDCBZ-INIZCTEOSA-N 1 2 407.970 6.940 40 0 HKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(C)C)cc1Cl ZINC000016758055 558806073 /nfs/dbraw/zinc/80/60/73/558806073.db2.gz UVBCCVZGMUBQES-UHFFFAOYSA-N 1 2 407.970 6.797 40 0 HKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758067 558806158 /nfs/dbraw/zinc/80/61/58/558806158.db2.gz UTRCCHGCHXXHOL-MRXNPFEDSA-N 1 2 421.953 6.119 40 0 HKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758069 558806069 /nfs/dbraw/zinc/80/60/69/558806069.db2.gz UTRCCHGCHXXHOL-INIZCTEOSA-N 1 2 421.953 6.119 40 0 HKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758072 558806083 /nfs/dbraw/zinc/80/60/83/558806083.db2.gz IVTQNRCGMILNID-UHFFFAOYSA-N 1 2 421.997 7.332 40 0 HKABLO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758085 558806139 /nfs/dbraw/zinc/80/61/39/558806139.db2.gz QTKYPDWATPWUDT-UHFFFAOYSA-N 1 2 407.970 6.942 40 0 HKABLO Cc1ccc2[nH+]c(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)cn2c1 ZINC000016768205 558806247 /nfs/dbraw/zinc/80/62/47/558806247.db2.gz CXFUDZWLUWXTFJ-UHFFFAOYSA-N 1 2 417.412 5.231 40 0 HKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016806740 558807674 /nfs/dbraw/zinc/80/76/74/558807674.db2.gz ZYUIMKKOKGHIMT-UHFFFAOYSA-N 1 2 407.970 7.023 40 0 HKABLO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000017093341 560867918 /nfs/dbraw/zinc/86/79/18/560867918.db2.gz JETPEWBTKVHWKV-ZRDIBKRKSA-N 1 2 422.912 5.084 40 0 HKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000017093632 560868151 /nfs/dbraw/zinc/86/81/51/560868151.db2.gz HEGQZRVOKVYKPU-UHFFFAOYSA-N 1 2 423.532 5.069 40 0 HKABLO Clc1ccc([C@@H](CCc2ccc(Br)cc2)Cn2cc[nH+]c2)c(Cl)c1 ZINC000017108790 558822658 /nfs/dbraw/zinc/82/26/58/558822658.db2.gz GLPUKJFKRFMDSY-HNNXBMFYSA-N 1 2 424.169 6.369 40 0 HKABLO CN1c2ccccc2C(C)(C)C1=CC=[NH+]c1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000017120786 558823130 /nfs/dbraw/zinc/82/31/30/558823130.db2.gz WMHCAJZSKBCFSU-UHFFFAOYSA-O 1 2 401.533 7.119 40 0 HKABLO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023033 558838223 /nfs/dbraw/zinc/83/82/23/558838223.db2.gz LCSBEJMZLSCFTB-LJQANCHMSA-N 1 2 400.500 5.177 40 0 HKABLO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023033 558838225 /nfs/dbraw/zinc/83/82/25/558838225.db2.gz LCSBEJMZLSCFTB-LJQANCHMSA-N 1 2 400.500 5.177 40 0 HKABLO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023036 558838232 /nfs/dbraw/zinc/83/82/32/558838232.db2.gz LCSBEJMZLSCFTB-IBGZPJMESA-N 1 2 400.500 5.177 40 0 HKABLO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023036 558838234 /nfs/dbraw/zinc/83/82/34/558838234.db2.gz LCSBEJMZLSCFTB-IBGZPJMESA-N 1 2 400.500 5.177 40 0 HKABLO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019083331 558840418 /nfs/dbraw/zinc/84/04/18/558840418.db2.gz VCRMFRYYASZRSD-GBESFXJTSA-N 1 2 421.511 5.339 40 0 HKABLO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019083331 558840420 /nfs/dbraw/zinc/84/04/20/558840420.db2.gz VCRMFRYYASZRSD-GBESFXJTSA-N 1 2 421.511 5.339 40 0 HKABLO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019083334 558840400 /nfs/dbraw/zinc/84/04/00/558840400.db2.gz VCRMFRYYASZRSD-CEXWTWQISA-N 1 2 421.511 5.339 40 0 HKABLO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019083334 558840401 /nfs/dbraw/zinc/84/04/01/558840401.db2.gz VCRMFRYYASZRSD-CEXWTWQISA-N 1 2 421.511 5.339 40 0 HKABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122514 558843753 /nfs/dbraw/zinc/84/37/53/558843753.db2.gz HSRQHKXKWVRANX-SFHVURJKSA-N 1 2 403.313 5.392 40 0 HKABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122514 558843755 /nfs/dbraw/zinc/84/37/55/558843755.db2.gz HSRQHKXKWVRANX-SFHVURJKSA-N 1 2 403.313 5.392 40 0 HKABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122518 558843708 /nfs/dbraw/zinc/84/37/08/558843708.db2.gz HSRQHKXKWVRANX-GOSISDBHSA-N 1 2 403.313 5.392 40 0 HKABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122518 558843710 /nfs/dbraw/zinc/84/37/10/558843710.db2.gz HSRQHKXKWVRANX-GOSISDBHSA-N 1 2 403.313 5.392 40 0 HKABLO COc1cc2c(cc1OC)[C@@H](c1ccc(OC(C)C)cc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216079 558850039 /nfs/dbraw/zinc/85/00/39/558850039.db2.gz YZMZRXWFPQAEKP-ZEQKJWHPSA-N 1 2 418.537 5.171 40 0 HKABLO COc1cc2c(cc1OC)[C@H](c1ccc(OC(C)C)cc1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237835 558857000 /nfs/dbraw/zinc/85/70/00/558857000.db2.gz SCSOTFCFDXAUIP-NVQXNPDNSA-N 1 2 418.537 5.171 40 0 HKABLO Cc1cnccc1C[N@H+]1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239524 558858218 /nfs/dbraw/zinc/85/82/18/558858218.db2.gz ACSWXBHGBURFQX-YSIASYRMSA-N 1 2 421.511 5.257 40 0 HKABLO Cc1cnccc1C[N@@H+]1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239524 558858221 /nfs/dbraw/zinc/85/82/21/558858221.db2.gz ACSWXBHGBURFQX-YSIASYRMSA-N 1 2 421.511 5.257 40 0 HKABLO Cc1cnccc1C[N@H+]1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239525 558858252 /nfs/dbraw/zinc/85/82/52/558858252.db2.gz ACSWXBHGBURFQX-DFQSSKMNSA-N 1 2 421.511 5.257 40 0 HKABLO Cc1cnccc1C[N@@H+]1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239525 558858254 /nfs/dbraw/zinc/85/82/54/558858254.db2.gz ACSWXBHGBURFQX-DFQSSKMNSA-N 1 2 421.511 5.257 40 0 HKABLO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)cc1 ZINC000019292574 558864558 /nfs/dbraw/zinc/86/45/58/558864558.db2.gz WJQGCMLDHSUINZ-NZQKXSOJSA-N 1 2 414.883 5.198 40 0 HKABLO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)cc1 ZINC000019292574 558864561 /nfs/dbraw/zinc/86/45/61/558864561.db2.gz WJQGCMLDHSUINZ-NZQKXSOJSA-N 1 2 414.883 5.198 40 0 HKABLO O=C([C@@H]1CC12CCC2)N1CCC[C@@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294190 558865693 /nfs/dbraw/zinc/86/56/93/558865693.db2.gz UHXYHTUKAMTTGT-QAPCUYQASA-N 1 2 424.545 5.175 40 0 HKABLO O=C([C@@H]1CC12CCC2)N1CCC[C@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294191 558865686 /nfs/dbraw/zinc/86/56/86/558865686.db2.gz UHXYHTUKAMTTGT-YJBOKZPZSA-N 1 2 424.545 5.175 40 0 HKABLO O=C([C@H]1CC12CCC2)N1CCC[C@@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294192 558865615 /nfs/dbraw/zinc/86/56/15/558865615.db2.gz UHXYHTUKAMTTGT-CRAIPNDOSA-N 1 2 424.545 5.175 40 0 HKABLO O=C([C@H]1CC12CCC2)N1CCC[C@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294194 558865845 /nfs/dbraw/zinc/86/58/45/558865845.db2.gz UHXYHTUKAMTTGT-MAUKXSAKSA-N 1 2 424.545 5.175 40 0 HKABLO Clc1ccc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)C2[C@@H]2CCC=CO2)cc1 ZINC000019319515 558867310 /nfs/dbraw/zinc/86/73/10/558867310.db2.gz JGPPHQWPOBRIBG-QFIPXVFZSA-N 1 2 417.380 5.720 40 0 HKABLO Clc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)C2[C@@H]2CCC=CO2)cc1 ZINC000019319515 558867311 /nfs/dbraw/zinc/86/73/11/558867311.db2.gz JGPPHQWPOBRIBG-QFIPXVFZSA-N 1 2 417.380 5.720 40 0 HKABLO CCCCCCC1N(Cc2ccc(Cl)cc2)CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019325697 558867798 /nfs/dbraw/zinc/86/77/98/558867798.db2.gz TUVGYEVBYYTKFC-UHFFFAOYSA-N 1 2 419.440 6.998 40 0 HKABLO CCCCCCC1N(Cc2ccc(Cl)cc2)CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000019325697 558867800 /nfs/dbraw/zinc/86/78/00/558867800.db2.gz TUVGYEVBYYTKFC-UHFFFAOYSA-N 1 2 419.440 6.998 40 0 HKABLO COc1ccccc1CN1CCC[N@H+](Cc2ccccc2OC)C1c1ccccc1 ZINC000019326105 558868067 /nfs/dbraw/zinc/86/80/67/558868067.db2.gz QVZDFSKZDZVSPI-UHFFFAOYSA-N 1 2 402.538 5.111 40 0 HKABLO COc1ccccc1CN1CCC[N@@H+](Cc2ccccc2OC)C1c1ccccc1 ZINC000019326105 558868068 /nfs/dbraw/zinc/86/80/68/558868068.db2.gz QVZDFSKZDZVSPI-UHFFFAOYSA-N 1 2 402.538 5.111 40 0 HKABLO CCCCCCC1N(Cc2ccccc2OC)CCC[N@@H+]1Cc1ccccc1OC ZINC000019326398 558868059 /nfs/dbraw/zinc/86/80/59/558868059.db2.gz KAYXJUWFXQOCDP-UHFFFAOYSA-N 1 2 410.602 5.708 40 0 HKABLO CCCCCCC1N(Cc2ccccc2OC)CCC[N@H+]1Cc1ccccc1OC ZINC000019326398 558868061 /nfs/dbraw/zinc/86/80/61/558868061.db2.gz KAYXJUWFXQOCDP-UHFFFAOYSA-N 1 2 410.602 5.708 40 0 HKABLO O=C1CCCN1c1ccc(C[N@H+](Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000019348712 558874568 /nfs/dbraw/zinc/87/45/68/558874568.db2.gz DZBCAZHZIYYGPX-UHFFFAOYSA-N 1 2 405.929 5.064 40 0 HKABLO O=C1CCCN1c1ccc(C[N@@H+](Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000019348712 558874570 /nfs/dbraw/zinc/87/45/70/558874570.db2.gz DZBCAZHZIYYGPX-UHFFFAOYSA-N 1 2 405.929 5.064 40 0 HKABLO Oc1ccc(/C=C/CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000019359772 558876132 /nfs/dbraw/zinc/87/61/32/558876132.db2.gz BORXUYRMIOAMIE-OWOJBTEDSA-N 1 2 420.503 5.091 40 0 in-vitro HKABLO CN1CC[NH+](CCSC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019366466 558877113 /nfs/dbraw/zinc/87/71/13/558877113.db2.gz MDUPRNHWFVJKTI-UHFFFAOYSA-N 1 2 420.003 5.043 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000019373047 558880031 /nfs/dbraw/zinc/88/00/31/558880031.db2.gz WUGVFMCHTYJYGC-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000019373047 558880033 /nfs/dbraw/zinc/88/00/33/558880033.db2.gz WUGVFMCHTYJYGC-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000019373048 558880124 /nfs/dbraw/zinc/88/01/24/558880124.db2.gz WUGVFMCHTYJYGC-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000019373048 558880127 /nfs/dbraw/zinc/88/01/27/558880127.db2.gz WUGVFMCHTYJYGC-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000019373049 558880118 /nfs/dbraw/zinc/88/01/18/558880118.db2.gz WOJGEWPSRUIARZ-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000019373049 558880120 /nfs/dbraw/zinc/88/01/20/558880120.db2.gz WOJGEWPSRUIARZ-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000019373050 558880086 /nfs/dbraw/zinc/88/00/86/558880086.db2.gz WOJGEWPSRUIARZ-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000019373050 558880088 /nfs/dbraw/zinc/88/00/88/558880088.db2.gz WOJGEWPSRUIARZ-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000019373052 558880157 /nfs/dbraw/zinc/88/01/57/558880157.db2.gz WLNJUTOTEBFGES-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000019373052 558880159 /nfs/dbraw/zinc/88/01/59/558880159.db2.gz WLNJUTOTEBFGES-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000019373053 558880046 /nfs/dbraw/zinc/88/00/46/558880046.db2.gz WLNJUTOTEBFGES-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000019373053 558880048 /nfs/dbraw/zinc/88/00/48/558880048.db2.gz WLNJUTOTEBFGES-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373054 558880111 /nfs/dbraw/zinc/88/01/11/558880111.db2.gz NUWYGFWDPUQZRA-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373054 558880113 /nfs/dbraw/zinc/88/01/13/558880113.db2.gz NUWYGFWDPUQZRA-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373055 558880052 /nfs/dbraw/zinc/88/00/52/558880052.db2.gz NUWYGFWDPUQZRA-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373055 558880054 /nfs/dbraw/zinc/88/00/54/558880054.db2.gz NUWYGFWDPUQZRA-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373057 558880074 /nfs/dbraw/zinc/88/00/74/558880074.db2.gz VSWOSONNBWFQEV-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373057 558880076 /nfs/dbraw/zinc/88/00/76/558880076.db2.gz VSWOSONNBWFQEV-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373058 558880059 /nfs/dbraw/zinc/88/00/59/558880059.db2.gz VSWOSONNBWFQEV-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373058 558880061 /nfs/dbraw/zinc/88/00/61/558880061.db2.gz VSWOSONNBWFQEV-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000019373255 558880312 /nfs/dbraw/zinc/88/03/12/558880312.db2.gz VJZOICIJHLFQDG-QHCPKHFHSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000019373255 558880315 /nfs/dbraw/zinc/88/03/15/558880315.db2.gz VJZOICIJHLFQDG-QHCPKHFHSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000019373257 558880417 /nfs/dbraw/zinc/88/04/17/558880417.db2.gz VJZOICIJHLFQDG-HSZRJFAPSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000019373257 558880418 /nfs/dbraw/zinc/88/04/18/558880418.db2.gz VJZOICIJHLFQDG-HSZRJFAPSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373261 558880324 /nfs/dbraw/zinc/88/03/24/558880324.db2.gz LNXUFXGYOZWGBA-QHCPKHFHSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373261 558880326 /nfs/dbraw/zinc/88/03/26/558880326.db2.gz LNXUFXGYOZWGBA-QHCPKHFHSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000019373262 558880408 /nfs/dbraw/zinc/88/04/08/558880408.db2.gz LNXUFXGYOZWGBA-HSZRJFAPSA-N 1 2 408.509 5.014 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000019373262 558880409 /nfs/dbraw/zinc/88/04/09/558880409.db2.gz LNXUFXGYOZWGBA-HSZRJFAPSA-N 1 2 408.509 5.014 40 0 HKABLO O=c1c(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375883 558882168 /nfs/dbraw/zinc/88/21/68/558882168.db2.gz QMTSTADVRMJZDH-LJQANCHMSA-N 1 2 406.507 5.627 40 0 HKABLO O=c1c(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375883 558882169 /nfs/dbraw/zinc/88/21/69/558882169.db2.gz QMTSTADVRMJZDH-LJQANCHMSA-N 1 2 406.507 5.627 40 0 HKABLO O=c1c(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375884 558882155 /nfs/dbraw/zinc/88/21/55/558882155.db2.gz QMTSTADVRMJZDH-IBGZPJMESA-N 1 2 406.507 5.627 40 0 HKABLO O=c1c(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375884 558882156 /nfs/dbraw/zinc/88/21/56/558882156.db2.gz QMTSTADVRMJZDH-IBGZPJMESA-N 1 2 406.507 5.627 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452344 558890350 /nfs/dbraw/zinc/89/03/50/558890350.db2.gz PYAXCEDGKCRUTM-KSSFIOAISA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452344 558890352 /nfs/dbraw/zinc/89/03/52/558890352.db2.gz PYAXCEDGKCRUTM-KSSFIOAISA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452346 558890378 /nfs/dbraw/zinc/89/03/78/558890378.db2.gz PYAXCEDGKCRUTM-KBXCAEBGSA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452346 558890380 /nfs/dbraw/zinc/89/03/80/558890380.db2.gz PYAXCEDGKCRUTM-KBXCAEBGSA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)n1c2ccccc2nc1CN(CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019454724 558891446 /nfs/dbraw/zinc/89/14/46/558891446.db2.gz RCTQXNIIVTZUDW-UHFFFAOYSA-N 1 2 405.521 5.045 40 0 HKABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 ZINC000019532529 558912675 /nfs/dbraw/zinc/91/26/75/558912675.db2.gz NSFQGPGVARSDJG-BEFAXECRSA-N 1 2 414.596 5.309 40 0 HKABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 ZINC000019532531 558912584 /nfs/dbraw/zinc/91/25/84/558912584.db2.gz NSFQGPGVARSDJG-KXBFYZLASA-N 1 2 414.596 5.309 40 0 HKABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 ZINC000019532533 558912540 /nfs/dbraw/zinc/91/25/40/558912540.db2.gz NSFQGPGVARSDJG-DNVCBOLYSA-N 1 2 414.596 5.309 40 0 HKABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 ZINC000019532535 558912683 /nfs/dbraw/zinc/91/26/83/558912683.db2.gz NSFQGPGVARSDJG-HNAYVOBHSA-N 1 2 414.596 5.309 40 0 HKABLO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549401 558914189 /nfs/dbraw/zinc/91/41/89/558914189.db2.gz JTJWCIDTEGXZNP-QGZVFWFLSA-N 1 2 414.527 5.243 40 0 HKABLO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549401 558914191 /nfs/dbraw/zinc/91/41/91/558914191.db2.gz JTJWCIDTEGXZNP-QGZVFWFLSA-N 1 2 414.527 5.243 40 0 HKABLO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549403 558914169 /nfs/dbraw/zinc/91/41/69/558914169.db2.gz JTJWCIDTEGXZNP-KRWDZBQOSA-N 1 2 414.527 5.243 40 0 HKABLO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549403 558914171 /nfs/dbraw/zinc/91/41/71/558914171.db2.gz JTJWCIDTEGXZNP-KRWDZBQOSA-N 1 2 414.527 5.243 40 0 HKABLO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)[NH2+][C@H](c1ccccn1)C2 ZINC000019550739 558915358 /nfs/dbraw/zinc/91/53/58/558915358.db2.gz XZZFYZJSGSZKFY-UGKGYDQZSA-N 1 2 415.320 5.382 40 0 HKABLO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)[NH2+][C@H](c1ccccn1)C2 ZINC000019550744 558915309 /nfs/dbraw/zinc/91/53/09/558915309.db2.gz FJGYWSQXOZZCQI-AVRDEDQJSA-N 1 2 415.320 5.382 40 0 HKABLO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)[NH2+][C@H](c1cccnc1)C2 ZINC000019550759 558915373 /nfs/dbraw/zinc/91/53/73/558915373.db2.gz HSRHXYXERKDGBU-UGKGYDQZSA-N 1 2 415.320 5.382 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557923 558919775 /nfs/dbraw/zinc/91/97/75/558919775.db2.gz KZHFELJSGTUJGU-SFHVURJKSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557923 558919777 /nfs/dbraw/zinc/91/97/77/558919777.db2.gz KZHFELJSGTUJGU-SFHVURJKSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557926 558919805 /nfs/dbraw/zinc/91/98/05/558919805.db2.gz KZHFELJSGTUJGU-GOSISDBHSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557926 558919806 /nfs/dbraw/zinc/91/98/06/558919806.db2.gz KZHFELJSGTUJGU-GOSISDBHSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019557982 558919768 /nfs/dbraw/zinc/91/97/68/558919768.db2.gz CNBNCZIRQWHLTC-KRWDZBQOSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019557982 558919770 /nfs/dbraw/zinc/91/97/70/558919770.db2.gz CNBNCZIRQWHLTC-KRWDZBQOSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019557985 558919747 /nfs/dbraw/zinc/91/97/47/558919747.db2.gz CNBNCZIRQWHLTC-QGZVFWFLSA-N 1 2 405.329 5.716 40 0 HKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019557985 558919749 /nfs/dbraw/zinc/91/97/49/558919749.db2.gz CNBNCZIRQWHLTC-QGZVFWFLSA-N 1 2 405.329 5.716 40 0 HKABLO COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563698 558923665 /nfs/dbraw/zinc/92/36/65/558923665.db2.gz NLFNXDWBVNAZKL-HXUWFJFHSA-N 1 2 406.511 5.082 40 0 HKABLO COc1ccc2nc(C[N@H+]3CCCC[C@@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563698 558923667 /nfs/dbraw/zinc/92/36/67/558923667.db2.gz NLFNXDWBVNAZKL-HXUWFJFHSA-N 1 2 406.511 5.082 40 0 HKABLO COc1ccc2nc(C[N@@H+]3CCCC[C@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563701 558923766 /nfs/dbraw/zinc/92/37/66/558923766.db2.gz NLFNXDWBVNAZKL-FQEVSTJZSA-N 1 2 406.511 5.082 40 0 HKABLO COc1ccc2nc(C[N@H+]3CCCC[C@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563701 558923769 /nfs/dbraw/zinc/92/37/69/558923769.db2.gz NLFNXDWBVNAZKL-FQEVSTJZSA-N 1 2 406.511 5.082 40 0 HKABLO Cc1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 ZINC000019567642 558926727 /nfs/dbraw/zinc/92/67/27/558926727.db2.gz ANJIFJBIASHZON-UHFFFAOYSA-N 1 2 400.501 5.226 40 0 HKABLO Cc1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 ZINC000019567642 558926730 /nfs/dbraw/zinc/92/67/30/558926730.db2.gz ANJIFJBIASHZON-UHFFFAOYSA-N 1 2 400.501 5.226 40 0 HKABLO COc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 ZINC000019568173 558927361 /nfs/dbraw/zinc/92/73/61/558927361.db2.gz OUCIEHXHWZCPNT-IBGZPJMESA-N 1 2 414.596 5.608 40 0 HKABLO COc1cccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 ZINC000019568176 558927294 /nfs/dbraw/zinc/92/72/94/558927294.db2.gz OUCIEHXHWZCPNT-LJQANCHMSA-N 1 2 414.596 5.608 40 0 HKABLO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 ZINC000019568179 558927298 /nfs/dbraw/zinc/92/72/98/558927298.db2.gz DSRUGBOLESTRFE-IBGZPJMESA-N 1 2 414.596 5.608 40 0 HKABLO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 ZINC000019568182 558927271 /nfs/dbraw/zinc/92/72/71/558927271.db2.gz DSRUGBOLESTRFE-LJQANCHMSA-N 1 2 414.596 5.608 40 0 HKABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000019570110 558928935 /nfs/dbraw/zinc/92/89/35/558928935.db2.gz JYMSKPGHDOEEAO-HXUWFJFHSA-N 1 2 421.541 5.037 40 0 HKABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000019570113 558928929 /nfs/dbraw/zinc/92/89/29/558928929.db2.gz JYMSKPGHDOEEAO-FQEVSTJZSA-N 1 2 421.541 5.037 40 0 HKABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000019578322 558933987 /nfs/dbraw/zinc/93/39/87/558933987.db2.gz GMVLZLSTTQOACJ-UHFFFAOYSA-N 1 2 414.528 5.285 40 0 HKABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000019578322 558933990 /nfs/dbraw/zinc/93/39/90/558933990.db2.gz GMVLZLSTTQOACJ-UHFFFAOYSA-N 1 2 414.528 5.285 40 0 HKABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693516 569346476 /nfs/dbraw/zinc/34/64/76/569346476.db2.gz HGTYNYUXAXTHKX-XMMPIXPASA-N 1 2 424.976 5.370 40 0 HKABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693516 569346477 /nfs/dbraw/zinc/34/64/77/569346477.db2.gz HGTYNYUXAXTHKX-XMMPIXPASA-N 1 2 424.976 5.370 40 0 HKABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693517 569346540 /nfs/dbraw/zinc/34/65/40/569346540.db2.gz HGTYNYUXAXTHKX-DEOSSOPVSA-N 1 2 424.976 5.370 40 0 HKABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693517 569346541 /nfs/dbraw/zinc/34/65/41/569346541.db2.gz HGTYNYUXAXTHKX-DEOSSOPVSA-N 1 2 424.976 5.370 40 0 HKABLO Cc1nn(C[C@H](C)c2cc(NCc3ccccc3OC(C)C)nc(C)[nH+]2)c(C)c1C ZINC000019717919 558980857 /nfs/dbraw/zinc/98/08/57/558980857.db2.gz MJMLLLSTNYDMQE-INIZCTEOSA-N 1 2 407.562 5.110 40 0 HKABLO Cc1nn(C[C@@H](C)c2cc(NCc3ccccc3OC(C)C)nc(C)[nH+]2)c(C)c1C ZINC000019717920 558980965 /nfs/dbraw/zinc/98/09/65/558980965.db2.gz MJMLLLSTNYDMQE-MRXNPFEDSA-N 1 2 407.562 5.110 40 0 HKABLO Cc1ccc(SCc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000020044177 525662347 /nfs/dbraw/zinc/66/23/47/525662347.db2.gz HLPLKHAOBFOWPZ-UHFFFAOYSA-N 1 2 413.546 5.403 40 0 HKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020045408 558327230 /nfs/dbraw/zinc/32/72/30/558327230.db2.gz JSHHUUBSOZSCBJ-XQNSMLJCSA-N 1 2 413.908 5.383 40 0 HKABLO Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)cc1 ZINC000020107980 558334186 /nfs/dbraw/zinc/33/41/86/558334186.db2.gz MUWVBPPQRXQKTF-UHFFFAOYSA-N 1 2 413.546 5.403 40 0 HKABLO Cc1sc2c(c1C)C[N@@H+](CCc1c[nH]c3ccccc13)CN2C(=O)c1ccccc1 ZINC000020193364 558756222 /nfs/dbraw/zinc/75/62/22/558756222.db2.gz RCMXOJSHSBSPQK-UHFFFAOYSA-N 1 2 415.562 5.509 40 0 HKABLO Cc1sc2c(c1C)C[N@H+](CCc1c[nH]c3ccccc13)CN2C(=O)c1ccccc1 ZINC000020193364 558756224 /nfs/dbraw/zinc/75/62/24/558756224.db2.gz RCMXOJSHSBSPQK-UHFFFAOYSA-N 1 2 415.562 5.509 40 0 HKABLO COc1ccc(C(=O)N2C[N@H+](CCc3ccccc3)Cc3c(C)c(C)sc32)cc1 ZINC000020218825 558756269 /nfs/dbraw/zinc/75/62/69/558756269.db2.gz FBGUWVVYVZERDU-UHFFFAOYSA-N 1 2 406.551 5.036 40 0 HKABLO COc1ccc(C(=O)N2C[N@@H+](CCc3ccccc3)Cc3c(C)c(C)sc32)cc1 ZINC000020218825 558756271 /nfs/dbraw/zinc/75/62/71/558756271.db2.gz FBGUWVVYVZERDU-UHFFFAOYSA-N 1 2 406.551 5.036 40 0 HKABLO O=C(/C(=C/c1ccccc1)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020242099 569349648 /nfs/dbraw/zinc/34/96/48/569349648.db2.gz JRJHBVMDHLIFJN-USWLQZPQSA-N 1 2 408.545 5.085 40 0 HKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020456777 558370229 /nfs/dbraw/zinc/37/02/29/558370229.db2.gz QPDAPYDXMAUNNY-CJLVFECKSA-N 1 2 413.908 5.383 40 0 HKABLO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000020469952 568610845 /nfs/dbraw/zinc/61/08/45/568610845.db2.gz VOTFHDAYWXJOMB-YFHOEESVSA-N 1 2 417.597 5.004 40 0 HKABLO CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797261 558414573 /nfs/dbraw/zinc/41/45/73/558414573.db2.gz XCLIVAKJTCWTSC-XMMPIXPASA-N 1 2 408.505 5.526 40 0 HKABLO CCc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797265 558414598 /nfs/dbraw/zinc/41/45/98/558414598.db2.gz XCLIVAKJTCWTSC-DEOSSOPVSA-N 1 2 408.505 5.526 40 0 HKABLO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797280 558414528 /nfs/dbraw/zinc/41/45/28/558414528.db2.gz HVDAGUUAWCTFKO-JOCHJYFZSA-N 1 2 414.896 5.617 40 0 HKABLO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Cl)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797284 558414542 /nfs/dbraw/zinc/41/45/42/558414542.db2.gz HVDAGUUAWCTFKO-QFIPXVFZSA-N 1 2 414.896 5.617 40 0 HKABLO CCc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797317 558414627 /nfs/dbraw/zinc/41/46/27/558414627.db2.gz ACUGCLPRPDIDMN-RUZDIDTESA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797321 558414657 /nfs/dbraw/zinc/41/46/57/558414657.db2.gz ACUGCLPRPDIDMN-VWLOTQADSA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000020970006 558425230 /nfs/dbraw/zinc/42/52/30/558425230.db2.gz URAKIMWMIHNFJD-RUZDIDTESA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000020970010 558425198 /nfs/dbraw/zinc/42/51/98/558425198.db2.gz URAKIMWMIHNFJD-VWLOTQADSA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(O)cc2)cc1 ZINC000020970062 558425154 /nfs/dbraw/zinc/42/51/54/558425154.db2.gz DTIPOWHKJOEDNK-XMMPIXPASA-N 1 2 424.504 5.232 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(O)cc2)cc1 ZINC000020970065 558425211 /nfs/dbraw/zinc/42/52/11/558425211.db2.gz DTIPOWHKJOEDNK-DEOSSOPVSA-N 1 2 424.504 5.232 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000020970083 558425105 /nfs/dbraw/zinc/42/51/05/558425105.db2.gz HPVPUPMLSRTGRP-RUZDIDTESA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000020970087 558425086 /nfs/dbraw/zinc/42/50/86/558425086.db2.gz HPVPUPMLSRTGRP-VWLOTQADSA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(O)c2)cc1 ZINC000020970114 558425100 /nfs/dbraw/zinc/42/51/00/558425100.db2.gz FCZGUKSREJCSKV-XMMPIXPASA-N 1 2 424.504 5.232 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(O)c2)cc1 ZINC000020970118 558425168 /nfs/dbraw/zinc/42/51/68/558425168.db2.gz FCZGUKSREJCSKV-DEOSSOPVSA-N 1 2 424.504 5.232 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000020970131 558425095 /nfs/dbraw/zinc/42/50/95/558425095.db2.gz SCLRNICHOBFHKS-RUZDIDTESA-N 1 2 422.532 5.835 40 0 HKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000020970135 558425114 /nfs/dbraw/zinc/42/51/14/558425114.db2.gz SCLRNICHOBFHKS-VWLOTQADSA-N 1 2 422.532 5.835 40 0 HKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000020970326 558425162 /nfs/dbraw/zinc/42/51/62/558425162.db2.gz MSDROWPVVCMDSR-XMMPIXPASA-N 1 2 424.504 5.363 40 0 HKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000020970330 558425148 /nfs/dbraw/zinc/42/51/48/558425148.db2.gz MSDROWPVVCMDSR-DEOSSOPVSA-N 1 2 424.504 5.363 40 0 HKABLO CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000020970389 558425127 /nfs/dbraw/zinc/42/51/27/558425127.db2.gz YRQJWBJDTNJMIA-JOCHJYFZSA-N 1 2 414.896 5.617 40 0 HKABLO CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000020970393 558425181 /nfs/dbraw/zinc/42/51/81/558425181.db2.gz YRQJWBJDTNJMIA-QFIPXVFZSA-N 1 2 414.896 5.617 40 0 HKABLO CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000021005501 558428501 /nfs/dbraw/zinc/42/85/01/558428501.db2.gz UAENYLIOGWBECC-JOCHJYFZSA-N 1 2 414.896 5.617 40 0 HKABLO CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000021005502 558428555 /nfs/dbraw/zinc/42/85/55/558428555.db2.gz UAENYLIOGWBECC-QFIPXVFZSA-N 1 2 414.896 5.617 40 0 HKABLO CCOc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccccc1 ZINC000021005522 558428506 /nfs/dbraw/zinc/42/85/06/558428506.db2.gz YRCADNJJDUAPBV-XMMPIXPASA-N 1 2 424.504 5.363 40 0 HKABLO CCOc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccccc1 ZINC000021005524 558428633 /nfs/dbraw/zinc/42/86/33/558428633.db2.gz YRCADNJJDUAPBV-DEOSSOPVSA-N 1 2 424.504 5.363 40 0 HKABLO COc1c(C)c[nH+]c(CSc2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C ZINC000022051200 558459875 /nfs/dbraw/zinc/45/98/75/558459875.db2.gz MVSKSPIWDUMZMX-UHFFFAOYSA-N 1 2 405.523 5.455 40 0 in-vitro HKABLO COc1c(C)c[nH+]c(CSc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C ZINC000022051200 558459877 /nfs/dbraw/zinc/45/98/77/558459877.db2.gz MVSKSPIWDUMZMX-UHFFFAOYSA-N 1 2 405.523 5.455 40 0 in-vitro HKABLO C(=C/c1ccccc1)\C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022454226 558490249 /nfs/dbraw/zinc/49/02/49/558490249.db2.gz XFBDGHFDKJITGC-JLHYYAGUSA-N 1 2 412.577 5.124 40 0 in-vitro HKABLO O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022521411 558494731 /nfs/dbraw/zinc/49/47/31/558494731.db2.gz CYZYERFXLVORRD-UHFFFAOYSA-N 1 2 418.562 5.063 40 0 HKABLO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000022852384 569326942 /nfs/dbraw/zinc/32/69/42/569326942.db2.gz RWUUYEFLSSWUDM-BXWFABGCSA-N 1 2 422.554 5.132 40 0 HKABLO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023477220 568509703 /nfs/dbraw/zinc/50/97/03/568509703.db2.gz LJJCHBVTWGAIJH-MHZLTWQESA-N 1 2 423.560 5.218 40 0 HKABLO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000023477220 568509704 /nfs/dbraw/zinc/50/97/04/568509704.db2.gz LJJCHBVTWGAIJH-MHZLTWQESA-N 1 2 423.560 5.218 40 0 HKABLO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023477221 568509697 /nfs/dbraw/zinc/50/96/97/568509697.db2.gz LJJCHBVTWGAIJH-HHHXNRCGSA-N 1 2 423.560 5.218 40 0 HKABLO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000023477221 568509698 /nfs/dbraw/zinc/50/96/98/568509698.db2.gz LJJCHBVTWGAIJH-HHHXNRCGSA-N 1 2 423.560 5.218 40 0 HKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438809 568548485 /nfs/dbraw/zinc/54/84/85/568548485.db2.gz CDJFIQCEUPRUOM-IBGZPJMESA-N 1 2 417.479 5.058 40 0 HKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438809 568548487 /nfs/dbraw/zinc/54/84/87/568548487.db2.gz CDJFIQCEUPRUOM-IBGZPJMESA-N 1 2 417.479 5.058 40 0 HKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438813 568548571 /nfs/dbraw/zinc/54/85/71/568548571.db2.gz CDJFIQCEUPRUOM-LJQANCHMSA-N 1 2 417.479 5.058 40 0 HKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438813 568548573 /nfs/dbraw/zinc/54/85/73/568548573.db2.gz CDJFIQCEUPRUOM-LJQANCHMSA-N 1 2 417.479 5.058 40 0 HKABLO CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCn3cc[nH+]c3)cc1OC2(C)C ZINC000027646423 569385658 /nfs/dbraw/zinc/38/56/58/569385658.db2.gz RZGSWWCABDVBGX-NHCUHLMSSA-N 1 2 408.586 6.348 40 0 in-vitro HKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000030753001 558736392 /nfs/dbraw/zinc/73/63/92/558736392.db2.gz IIWNTVVYTAJUQB-UHFFFAOYSA-N 1 2 417.896 5.035 40 0 HKABLO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030868014 558742893 /nfs/dbraw/zinc/74/28/93/558742893.db2.gz OZSGQAHSUGIQPT-UHFFFAOYSA-N 1 2 422.912 5.217 40 0 HKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030943270 558745953 /nfs/dbraw/zinc/74/59/53/558745953.db2.gz SYWVEKPTTWFCGB-UHFFFAOYSA-N 1 2 415.880 5.068 40 0 HKABLO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030947149 558746790 /nfs/dbraw/zinc/74/67/90/558746790.db2.gz WMZOTKHBFMBVFG-UHFFFAOYSA-N 1 2 411.549 5.652 40 0 HKABLO Brc1ccc([C@@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716542 560757535 /nfs/dbraw/zinc/75/75/35/560757535.db2.gz IRGYIDPXYHPMEG-BJKOFHAPSA-N 1 2 416.318 6.373 40 0 HKABLO Brc1ccc([C@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716545 560757550 /nfs/dbraw/zinc/75/75/50/560757550.db2.gz IRGYIDPXYHPMEG-ZEQRLZLVSA-N 1 2 416.318 6.373 40 0 HKABLO Brc1ccc([C@@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716548 560757560 /nfs/dbraw/zinc/75/75/60/560757560.db2.gz IRGYIDPXYHPMEG-DNQXCXABSA-N 1 2 416.318 6.373 40 0 HKABLO Brc1ccc([C@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716551 560757554 /nfs/dbraw/zinc/75/75/54/560757554.db2.gz IRGYIDPXYHPMEG-RPWUZVMVSA-N 1 2 416.318 6.373 40 0 HKABLO Cc1[nH+]cc(NC(=O)c2cccc(Cl)c2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615894 527301445 /nfs/dbraw/zinc/30/14/45/527301445.db2.gz VBJXSKKSLHXRAL-UHFFFAOYSA-N 1 2 412.877 5.349 40 0 HKABLO Cc1[nH+]cc(NC(=O)c2cc3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615940 527300022 /nfs/dbraw/zinc/30/00/22/527300022.db2.gz LOBITWKTSRJDJK-UHFFFAOYSA-N 1 2 418.453 5.442 40 0 HKABLO Cc1[nH+]cc(NC(=O)CCCc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615942 527293065 /nfs/dbraw/zinc/29/30/65/527293065.db2.gz YQLUCZZLSDLMOK-UHFFFAOYSA-N 1 2 420.513 5.405 40 0 HKABLO Cc1[nH+]cc(NC(=O)/C=C/c2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615946 527288911 /nfs/dbraw/zinc/28/89/11/527288911.db2.gz JOIFUBRMEWEMCR-KPKJPENVSA-N 1 2 404.470 5.095 40 0 HKABLO Cc1[nH+]cc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616148 527297116 /nfs/dbraw/zinc/29/71/16/527297116.db2.gz ZXKWUFFNQFLGGN-MRXNPFEDSA-N 1 2 418.522 5.019 40 0 HKABLO Cc1[nH+]cc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616150 527298013 /nfs/dbraw/zinc/29/80/13/527298013.db2.gz ZXKWUFFNQFLGGN-INIZCTEOSA-N 1 2 418.522 5.019 40 0 HKABLO Cc1[nH+]cc(NC(=O)Cc2cccc(C)c2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616182 527294363 /nfs/dbraw/zinc/29/43/63/527294363.db2.gz DWEOSGHHHKPZLD-UHFFFAOYSA-N 1 2 402.523 5.102 40 0 HKABLO Cc1[nH+]cc(NC(=O)c2ccc(F)cc2F)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616188 527300424 /nfs/dbraw/zinc/30/04/24/527300424.db2.gz POCSVJOWWCSRSI-UHFFFAOYSA-N 1 2 410.449 5.143 40 0 HKABLO Cc1[nH+]cc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616194 527299423 /nfs/dbraw/zinc/29/94/23/527299423.db2.gz DDMHKJDLWMLTFO-UHFFFAOYSA-N 1 2 410.449 5.143 40 0 HKABLO O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926918 558435215 /nfs/dbraw/zinc/43/52/15/558435215.db2.gz CRLQJTSACHTAGF-JUDWXZBOSA-N 1 2 403.525 6.209 40 0 HKABLO O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926919 558434993 /nfs/dbraw/zinc/43/49/93/558434993.db2.gz CRLQJTSACHTAGF-YVHASNINSA-N 1 2 403.525 6.209 40 0 HKABLO S=C(Nc1cccc2ccccc21)N1CCCC2=CC3CC(C[N@@H+]4CCCCC34)C21 ZINC000033934788 558772473 /nfs/dbraw/zinc/77/24/73/558772473.db2.gz JYFNVKBMCUQIFK-ZNDGRNAPSA-N 1 2 417.622 5.432 40 0 HKABLO S=C(Nc1cccc2ccccc21)N1CCCC2=CC3CC(C[N@H+]4CCCCC34)C21 ZINC000033934788 558772476 /nfs/dbraw/zinc/77/24/76/558772476.db2.gz JYFNVKBMCUQIFK-ZNDGRNAPSA-N 1 2 417.622 5.432 40 0 HKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000035185515 557521948 /nfs/dbraw/zinc/52/19/48/557521948.db2.gz PQOGPQCDZDICOM-KQTLUZQSSA-N 1 2 422.784 5.377 40 0 HKABLO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000035185516 557521982 /nfs/dbraw/zinc/52/19/82/557521982.db2.gz PQOGPQCDZDICOM-NHIYQJMISA-N 1 2 422.784 5.377 40 0 HKABLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000035185518 557522173 /nfs/dbraw/zinc/52/21/73/557522173.db2.gz PQOGPQCDZDICOM-CTASWTNQSA-N 1 2 422.784 5.377 40 0 HKABLO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000035185521 557522191 /nfs/dbraw/zinc/52/21/91/557522191.db2.gz PQOGPQCDZDICOM-AYDFFVQHSA-N 1 2 422.784 5.377 40 0 HKABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc21 ZINC000035313154 557688910 /nfs/dbraw/zinc/68/89/10/557688910.db2.gz YYBWWRHPMBIXSI-UHFFFAOYSA-N 1 2 406.913 5.027 40 0 HKABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000035313967 557689678 /nfs/dbraw/zinc/68/96/78/557689678.db2.gz GLNKHBADIPZUHN-UHFFFAOYSA-N 1 2 412.533 5.195 40 0 HKABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000035315484 557690882 /nfs/dbraw/zinc/69/08/82/557690882.db2.gz FISIRBJUOZXGEA-UHFFFAOYSA-N 1 2 416.496 5.026 40 0 HKABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)[nH+]c2c1 ZINC000035316708 557691571 /nfs/dbraw/zinc/69/15/71/557691571.db2.gz QJFOIXWYJYEPQO-MRXNPFEDSA-N 1 2 403.457 5.007 40 0 HKABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)[nH+]c2c1 ZINC000035316711 557691560 /nfs/dbraw/zinc/69/15/60/557691560.db2.gz QJFOIXWYJYEPQO-INIZCTEOSA-N 1 2 403.457 5.007 40 0 HKABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425502 291298399 /nfs/dbraw/zinc/29/83/99/291298399.db2.gz BSFJENRWMMYKEU-NRFANRHFSA-N 1 2 422.504 5.319 40 0 biogenic,in-vitro HKABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425502 291298400 /nfs/dbraw/zinc/29/84/00/291298400.db2.gz BSFJENRWMMYKEU-NRFANRHFSA-N 1 2 422.504 5.319 40 0 biogenic,in-vitro HKABLO O=C1[C@H](c2ccccc2)[C@@H](c2cccs2)[NH2+][C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941692 558796095 /nfs/dbraw/zinc/79/60/95/558796095.db2.gz UCZYTGZNLXWZAW-UEQSERJNSA-N 1 2 415.583 6.332 40 0 HKABLO O=C1[C@@H](c2ccccc2)[C@@H](c2cccs2)[NH2+][C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941694 558796104 /nfs/dbraw/zinc/79/61/04/558796104.db2.gz UCZYTGZNLXWZAW-CJRSTVEYSA-N 1 2 415.583 6.332 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858309 558819623 /nfs/dbraw/zinc/81/96/23/558819623.db2.gz UMQKJQYYRUGFPO-QGZVFWFLSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858309 558819624 /nfs/dbraw/zinc/81/96/24/558819624.db2.gz UMQKJQYYRUGFPO-QGZVFWFLSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858312 558819634 /nfs/dbraw/zinc/81/96/34/558819634.db2.gz UMQKJQYYRUGFPO-KRWDZBQOSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858312 558819635 /nfs/dbraw/zinc/81/96/35/558819635.db2.gz UMQKJQYYRUGFPO-KRWDZBQOSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858321 558819558 /nfs/dbraw/zinc/81/95/58/558819558.db2.gz BNFPFURNGKOZQU-MRXNPFEDSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858321 558819560 /nfs/dbraw/zinc/81/95/60/558819560.db2.gz BNFPFURNGKOZQU-MRXNPFEDSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858324 558819627 /nfs/dbraw/zinc/81/96/27/558819627.db2.gz BNFPFURNGKOZQU-INIZCTEOSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858324 558819628 /nfs/dbraw/zinc/81/96/28/558819628.db2.gz BNFPFURNGKOZQU-INIZCTEOSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038858356 558819619 /nfs/dbraw/zinc/81/96/19/558819619.db2.gz FCZCJIOSZNFIIT-UHFFFAOYSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038858359 558819638 /nfs/dbraw/zinc/81/96/38/558819638.db2.gz LVBRSCJJDHTOCH-UHFFFAOYSA-N 1 2 405.325 5.047 40 0 HKABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038858362 558819529 /nfs/dbraw/zinc/81/95/29/558819529.db2.gz JJQJNUSCAOHFCE-UHFFFAOYSA-N 1 2 405.325 5.047 40 0 HKABLO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038860862 558819593 /nfs/dbraw/zinc/81/95/93/558819593.db2.gz VAISUHYHNZHCBQ-UHFFFAOYSA-N 1 2 403.869 5.629 40 0 HKABLO Cc1cc(C)[nH+]c(Nc2nc(-c3ccc(Br)cc3)cn2-c2ccccc2)c1 ZINC000040385420 524594759 /nfs/dbraw/zinc/59/47/59/524594759.db2.gz PHHSRQYLAXNHOO-UHFFFAOYSA-N 1 2 419.326 6.057 40 0 HKABLO Cc1cc(C)[nH+]c(Nc2nc(-c3ccc4ccccc4c3)cn2-c2ccc(Cl)cc2)c1 ZINC000040385426 524594547 /nfs/dbraw/zinc/59/45/47/524594547.db2.gz ZRWDBSACFFHLSI-UHFFFAOYSA-N 1 2 424.935 7.101 40 0 HKABLO Cc1[nH+]cc(NC(=O)c2cccs2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124297 527302452 /nfs/dbraw/zinc/30/24/52/527302452.db2.gz YKXDJBMVVCSEKG-UHFFFAOYSA-N 1 2 400.916 5.271 40 0 HKABLO Cc1[nH+]cc(NC(=O)CCc2ccccc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124316 527293147 /nfs/dbraw/zinc/29/31/47/527293147.db2.gz FZYPORSGSRUIRG-UHFFFAOYSA-N 1 2 422.941 5.529 40 0 HKABLO Cc1ccc2occ(CN(CCCn3cc[nH+]c3)Cc3ccccc3Cl)c(=O)c2c1 ZINC000043277783 524098782 /nfs/dbraw/zinc/09/87/82/524098782.db2.gz FWQLYCZIGSTJOU-UHFFFAOYSA-N 1 2 421.928 5.044 40 0 HKABLO Clc1ccc([C@H](Cn2cc[nH+]c2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000044136499 526962338 /nfs/dbraw/zinc/96/23/38/526962338.db2.gz SZRYZAYGHYHAFH-SFHVURJKSA-N 1 2 416.135 6.455 40 0 in-vitro HKABLO Clc1ccc([C@@H](Cn2cc[nH+]c2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000044136501 526961218 /nfs/dbraw/zinc/96/12/18/526961218.db2.gz SZRYZAYGHYHAFH-GOSISDBHSA-N 1 2 416.135 6.455 40 0 in-vitro HKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000044899706 526649106 /nfs/dbraw/zinc/64/91/06/526649106.db2.gz WDMFIQNILFSVDG-UHFFFAOYSA-N 1 2 417.896 5.035 40 0 HKABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044903764 522918814 /nfs/dbraw/zinc/91/88/14/522918814.db2.gz UANDALOXVGMUTA-OUZREKFBSA-N 1 2 415.002 5.068 40 0 HKABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044903767 523079790 /nfs/dbraw/zinc/07/97/90/523079790.db2.gz UANDALOXVGMUTA-MECCDNJOSA-N 1 2 415.002 5.068 40 0 HKABLO COc1ccc(C(=O)N2C[N@H+](CCC3=CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000054350464 569027846 /nfs/dbraw/zinc/02/78/46/569027846.db2.gz HODRQVGFVKHHKX-UHFFFAOYSA-N 1 2 410.583 5.684 40 0 HKABLO COc1ccc(C(=O)N2C[N@@H+](CCC3=CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000054350464 569027847 /nfs/dbraw/zinc/02/78/47/569027847.db2.gz HODRQVGFVKHHKX-UHFFFAOYSA-N 1 2 410.583 5.684 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@H]4CCC2)CCCCC1 ZINC000055212207 569380453 /nfs/dbraw/zinc/38/04/53/569380453.db2.gz UZLSNKZNMAKTBE-VWLOTQADSA-N 1 2 400.566 5.686 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@H]4CCC2)CCCCC1 ZINC000055212207 569380455 /nfs/dbraw/zinc/38/04/55/569380455.db2.gz UZLSNKZNMAKTBE-VWLOTQADSA-N 1 2 400.566 5.686 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@@H]4CCC2)CCCCC1 ZINC000055212208 569380552 /nfs/dbraw/zinc/38/05/52/569380552.db2.gz UZLSNKZNMAKTBE-RUZDIDTESA-N 1 2 400.566 5.686 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@@H]4CCC2)CCCCC1 ZINC000055212208 569380554 /nfs/dbraw/zinc/38/05/54/569380554.db2.gz UZLSNKZNMAKTBE-RUZDIDTESA-N 1 2 400.566 5.686 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@H]4CCC2)CCCCCC1 ZINC000057447967 558888613 /nfs/dbraw/zinc/88/86/13/558888613.db2.gz PELAFBAAKHBAGN-SANMLTNESA-N 1 2 414.593 6.076 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@H]4CCC2)CCCCCC1 ZINC000057447967 558888615 /nfs/dbraw/zinc/88/86/15/558888615.db2.gz PELAFBAAKHBAGN-SANMLTNESA-N 1 2 414.593 6.076 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@@H]4CCC2)CCCCCC1 ZINC000057447969 558888554 /nfs/dbraw/zinc/88/85/54/558888554.db2.gz PELAFBAAKHBAGN-AREMUKBSSA-N 1 2 414.593 6.076 40 0 HKABLO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@@H]4CCC2)CCCCCC1 ZINC000057447969 558888555 /nfs/dbraw/zinc/88/85/55/558888555.db2.gz PELAFBAAKHBAGN-AREMUKBSSA-N 1 2 414.593 6.076 40 0 HKABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614126 568494126 /nfs/dbraw/zinc/49/41/26/568494126.db2.gz MKNUGYBVTLZPMX-QHCPKHFHSA-N 1 2 407.537 5.327 40 0 HKABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614126 568494127 /nfs/dbraw/zinc/49/41/27/568494127.db2.gz MKNUGYBVTLZPMX-QHCPKHFHSA-N 1 2 407.537 5.327 40 0 HKABLO CC(C)[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614129 568494150 /nfs/dbraw/zinc/49/41/50/568494150.db2.gz MKNUGYBVTLZPMX-HSZRJFAPSA-N 1 2 407.537 5.327 40 0 HKABLO CC(C)[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614129 568494151 /nfs/dbraw/zinc/49/41/51/568494151.db2.gz MKNUGYBVTLZPMX-HSZRJFAPSA-N 1 2 407.537 5.327 40 0 HKABLO C[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000057731482 568496423 /nfs/dbraw/zinc/49/64/23/568496423.db2.gz PAZHIKKWDVNJHJ-QGZVFWFLSA-N 1 2 421.541 5.402 40 0 HKABLO C[C@@H]1CN(Cc2ccccc2F)CC[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000057731482 568496425 /nfs/dbraw/zinc/49/64/25/568496425.db2.gz PAZHIKKWDVNJHJ-QGZVFWFLSA-N 1 2 421.541 5.402 40 0 HKABLO C[C@@H]1C[N@H+](Cc2ccccc2F)CCN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000057731482 568496426 /nfs/dbraw/zinc/49/64/26/568496426.db2.gz PAZHIKKWDVNJHJ-QGZVFWFLSA-N 1 2 421.541 5.402 40 0 HKABLO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000057731482 568496428 /nfs/dbraw/zinc/49/64/28/568496428.db2.gz PAZHIKKWDVNJHJ-QGZVFWFLSA-N 1 2 421.541 5.402 40 0 HKABLO CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3cccc(C)c3)nn21 ZINC000057761858 568496980 /nfs/dbraw/zinc/49/69/80/568496980.db2.gz MJWHENKPTXCOQS-XUZZJYLKSA-N 1 2 424.548 5.365 40 0 HKABLO CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3cccc(C)c3)nn21 ZINC000057761858 568496982 /nfs/dbraw/zinc/49/69/82/568496982.db2.gz MJWHENKPTXCOQS-XUZZJYLKSA-N 1 2 424.548 5.365 40 0 HKABLO Fc1ccc(-c2nc(NCc3ccc(C(F)(F)F)cc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761953 568496918 /nfs/dbraw/zinc/49/69/18/568496918.db2.gz OPNDSOHVRUOBOU-UHFFFAOYSA-N 1 2 413.378 5.304 40 0 HKABLO Cc1cc(-c2csc(NC(=O)C3C[NH+](Cc4ccc(Cl)cc4)C3)n2)c(C)s1 ZINC000057776089 568497564 /nfs/dbraw/zinc/49/75/64/568497564.db2.gz LGZSPEUAWMIGSV-UHFFFAOYSA-N 1 2 417.987 5.212 40 0 HKABLO Fc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000057796870 558890474 /nfs/dbraw/zinc/89/04/74/558890474.db2.gz LQVVSNHQWPPMFU-UHFFFAOYSA-N 1 2 413.496 5.397 40 0 HKABLO Fc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000057796870 558890475 /nfs/dbraw/zinc/89/04/75/558890475.db2.gz LQVVSNHQWPPMFU-UHFFFAOYSA-N 1 2 413.496 5.397 40 0 HKABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000057797001 558890491 /nfs/dbraw/zinc/89/04/91/558890491.db2.gz AJFRZACOWLXISG-UHFFFAOYSA-N 1 2 402.567 5.456 40 0 HKABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000057797001 558890493 /nfs/dbraw/zinc/89/04/93/558890493.db2.gz AJFRZACOWLXISG-UHFFFAOYSA-N 1 2 402.567 5.456 40 0 HKABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cc3ccc(C)cc3nc2OC)cc1 ZINC000057797054 558890484 /nfs/dbraw/zinc/89/04/84/558890484.db2.gz NBAKRWUZVLBAHV-UHFFFAOYSA-N 1 2 413.521 5.158 40 0 HKABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cc3ccc(C)cc3nc2OC)cc1 ZINC000057797054 558890486 /nfs/dbraw/zinc/89/04/86/558890486.db2.gz NBAKRWUZVLBAHV-UHFFFAOYSA-N 1 2 413.521 5.158 40 0 HKABLO COc1ccc(Cc2[nH+]ccc3cc(OCc4ccccc4)c(OC)cc32)cc1OC ZINC000065739693 568940172 /nfs/dbraw/zinc/94/01/72/568940172.db2.gz KAWVGHNWGXLEGF-UHFFFAOYSA-N 1 2 415.489 5.430 40 0 in-vitro HKABLO Clc1ccc(/C=C/c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c(Cl)c1 ZINC000071260615 558896393 /nfs/dbraw/zinc/89/63/93/558896393.db2.gz CMRMNLQHTJXJKY-SOFGYWHQSA-N 1 2 408.358 5.039 40 0 HKABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2NC2CCCCC2)cc1 ZINC000072214056 559168204 /nfs/dbraw/zinc/16/82/04/559168204.db2.gz CEKBGSIETQDSEB-JOCHJYFZSA-N 1 2 413.587 5.051 40 0 HKABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2NC2CCCCC2)cc1 ZINC000072214057 559168232 /nfs/dbraw/zinc/16/82/32/559168232.db2.gz CEKBGSIETQDSEB-QFIPXVFZSA-N 1 2 413.587 5.051 40 0 HKABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccccc4)C=C3C)[nH+]c2c1 ZINC000072320841 560077175 /nfs/dbraw/zinc/07/71/75/560077175.db2.gz NXFZGXMVFJTUSP-VABKMULXSA-N 1 2 415.581 5.698 40 0 biogenic,in-vitro HKABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccccc4)C=C3C)[nH]c2c1 ZINC000072320841 560077178 /nfs/dbraw/zinc/07/71/78/560077178.db2.gz NXFZGXMVFJTUSP-VABKMULXSA-N 1 2 415.581 5.698 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(C)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320842 560077219 /nfs/dbraw/zinc/07/72/19/560077219.db2.gz AHQDAKKMUBBDSI-FKBYEOEOSA-N 1 2 409.618 5.821 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cc(C)ccc3[nH+]2)C[C@H]1C(C)C ZINC000072320842 560077221 /nfs/dbraw/zinc/07/72/21/560077221.db2.gz AHQDAKKMUBBDSI-FKBYEOEOSA-N 1 2 409.618 5.821 40 0 biogenic,in-vitro HKABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH+]c2c1 ZINC000072320843 560077076 /nfs/dbraw/zinc/07/70/76/560077076.db2.gz JLYVYGVEWUYESF-VABKMULXSA-N 1 2 421.629 5.965 40 0 biogenic,in-vitro HKABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c2c1 ZINC000072320843 560077077 /nfs/dbraw/zinc/07/70/77/560077077.db2.gz JLYVYGVEWUYESF-VABKMULXSA-N 1 2 421.629 5.965 40 0 biogenic,in-vitro HKABLO CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320857 560077190 /nfs/dbraw/zinc/07/71/90/560077190.db2.gz YYOWGXAMKLYXFY-ONTIZHBOSA-N 1 2 419.544 5.529 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320858 560077094 /nfs/dbraw/zinc/07/70/94/560077094.db2.gz KDZDAAUYMMCLCJ-ZJOUEHCJSA-N 1 2 413.581 5.652 40 0 biogenic,in-vitro HKABLO CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320875 560077782 /nfs/dbraw/zinc/07/77/82/560077782.db2.gz KTIPFZAETACNQN-VABKMULXSA-N 1 2 415.581 5.400 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH+]c3ccccc3n2C)C[C@H]1C(C)C ZINC000072320876 560077857 /nfs/dbraw/zinc/07/78/57/560077857.db2.gz UMNZEXQWGGNIOP-FKBYEOEOSA-N 1 2 409.618 5.523 40 0 biogenic,in-vitro HKABLO CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320877 560077792 /nfs/dbraw/zinc/07/77/92/560077792.db2.gz CKUWXHPABRINRZ-VABKMULXSA-N 1 2 421.629 5.667 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3c(cccc3C)[nH+]2)C[C@H]1C(C)C ZINC000072320963 560076932 /nfs/dbraw/zinc/07/69/32/560076932.db2.gz JICXQTKWRNAWLY-FKBYEOEOSA-N 1 2 409.618 5.821 40 0 biogenic,in-vitro HKABLO CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cccc(C)c3[nH+]2)C[C@H]1C(C)C ZINC000072320963 560076934 /nfs/dbraw/zinc/07/69/34/560076934.db2.gz JICXQTKWRNAWLY-FKBYEOEOSA-N 1 2 409.618 5.821 40 0 biogenic,in-vitro HKABLO Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c21 ZINC000072320964 560076989 /nfs/dbraw/zinc/07/69/89/560076989.db2.gz WITRYHSZUCBDTN-VABKMULXSA-N 1 2 421.629 5.965 40 0 biogenic,in-vitro HKABLO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH+]c21 ZINC000072320964 560076991 /nfs/dbraw/zinc/07/69/91/560076991.db2.gz WITRYHSZUCBDTN-VABKMULXSA-N 1 2 421.629 5.965 40 0 biogenic,in-vitro HKABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358238 558953831 /nfs/dbraw/zinc/95/38/31/558953831.db2.gz RTYQBQJZQXCSTB-OAQYLSRUSA-N 1 2 414.475 5.245 40 0 HKABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358238 558953834 /nfs/dbraw/zinc/95/38/34/558953834.db2.gz RTYQBQJZQXCSTB-OAQYLSRUSA-N 1 2 414.475 5.245 40 0 HKABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358239 558953847 /nfs/dbraw/zinc/95/38/47/558953847.db2.gz RTYQBQJZQXCSTB-NRFANRHFSA-N 1 2 414.475 5.245 40 0 HKABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358239 558953851 /nfs/dbraw/zinc/95/38/51/558953851.db2.gz RTYQBQJZQXCSTB-NRFANRHFSA-N 1 2 414.475 5.245 40 0 HKABLO CCn1c(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375339 558964010 /nfs/dbraw/zinc/96/40/10/558964010.db2.gz NFUUEMUESCROIG-OAQYLSRUSA-N 1 2 412.541 5.235 40 0 HKABLO CCn1c(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375339 558964013 /nfs/dbraw/zinc/96/40/13/558964013.db2.gz NFUUEMUESCROIG-OAQYLSRUSA-N 1 2 412.541 5.235 40 0 HKABLO CCn1c(C[N@@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375340 558964049 /nfs/dbraw/zinc/96/40/49/558964049.db2.gz NFUUEMUESCROIG-NRFANRHFSA-N 1 2 412.541 5.235 40 0 HKABLO CCn1c(C[N@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375340 558964051 /nfs/dbraw/zinc/96/40/51/558964051.db2.gz NFUUEMUESCROIG-NRFANRHFSA-N 1 2 412.541 5.235 40 0 HKABLO CCn1c(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375341 558963993 /nfs/dbraw/zinc/96/39/93/558963993.db2.gz SJWVCWSMRZLFOB-LJQANCHMSA-N 1 2 418.570 5.297 40 0 HKABLO CCn1c(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375341 558963994 /nfs/dbraw/zinc/96/39/94/558963994.db2.gz SJWVCWSMRZLFOB-LJQANCHMSA-N 1 2 418.570 5.297 40 0 HKABLO CCn1c(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375342 558964025 /nfs/dbraw/zinc/96/40/25/558964025.db2.gz SJWVCWSMRZLFOB-IBGZPJMESA-N 1 2 418.570 5.297 40 0 HKABLO CCn1c(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375342 558964026 /nfs/dbraw/zinc/96/40/26/558964026.db2.gz SJWVCWSMRZLFOB-IBGZPJMESA-N 1 2 418.570 5.297 40 0 HKABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072378553 558967572 /nfs/dbraw/zinc/96/75/72/558967572.db2.gz BVBDKGGCDHCNDB-UHFFFAOYSA-N 1 2 416.569 5.120 40 0 HKABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378987 558967840 /nfs/dbraw/zinc/96/78/40/558967840.db2.gz IJZXTDWNUISOMY-QFIPXVFZSA-N 1 2 402.542 5.077 40 0 HKABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378988 558967844 /nfs/dbraw/zinc/96/78/44/558967844.db2.gz IJZXTDWNUISOMY-JOCHJYFZSA-N 1 2 402.542 5.077 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072391345 558971387 /nfs/dbraw/zinc/97/13/87/558971387.db2.gz WLFLFKKVGPKNFM-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072391345 558971388 /nfs/dbraw/zinc/97/13/88/558971388.db2.gz WLFLFKKVGPKNFM-DEOSSOPVSA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072391346 558971326 /nfs/dbraw/zinc/97/13/26/558971326.db2.gz WLFLFKKVGPKNFM-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072391346 558971329 /nfs/dbraw/zinc/97/13/29/558971329.db2.gz WLFLFKKVGPKNFM-XMMPIXPASA-N 1 2 422.536 5.404 40 0 HKABLO COc1cc2[nH+]ccc(Oc3ccc(OCc4ccccc4)cc3OC)c2cc1O ZINC000079012824 559015146 /nfs/dbraw/zinc/01/51/46/559015146.db2.gz OXNFBDZLZCUJGL-UHFFFAOYSA-N 1 2 403.434 5.329 40 0 HKABLO CC(C)(C)OC(=O)N1CCC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000090558317 559068799 /nfs/dbraw/zinc/06/87/99/559068799.db2.gz DOTWOTWDKIYEPT-IBGZPJMESA-N 1 2 424.520 5.035 40 0 HKABLO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000090558318 559068780 /nfs/dbraw/zinc/06/87/80/559068780.db2.gz DOTWOTWDKIYEPT-LJQANCHMSA-N 1 2 424.520 5.035 40 0 HKABLO CC(C)(C)OC(=O)N1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000090558319 559068788 /nfs/dbraw/zinc/06/87/88/559068788.db2.gz LOFWFAVUZLJDCQ-UHFFFAOYSA-N 1 2 424.520 5.035 40 0 HKABLO Cc1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1Cl ZINC000096037518 559091272 /nfs/dbraw/zinc/09/12/72/559091272.db2.gz SMJXCJMQMMITMZ-QHCPKHFHSA-N 1 2 422.960 5.164 40 0 HKABLO Cc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cc1Cl ZINC000096037519 559091249 /nfs/dbraw/zinc/09/12/49/559091249.db2.gz SMJXCJMQMMITMZ-HSZRJFAPSA-N 1 2 422.960 5.164 40 0 HKABLO Cc1cc(NC(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)cc[nH+]1 ZINC000096155500 559099735 /nfs/dbraw/zinc/09/97/35/559099735.db2.gz LAZRXLUBCCUQKC-UHFFFAOYSA-N 1 2 412.424 5.356 40 0 HKABLO COc1cccc(-c2ccc3cc(C(=O)Nc4cc[nH+]c(C)c4)c(-c4cocn4)n3c2)c1 ZINC000096155544 559099728 /nfs/dbraw/zinc/09/97/28/559099728.db2.gz ZDNOBIIGMLGZKR-UHFFFAOYSA-N 1 2 424.460 5.226 40 0 HKABLO Cc1cc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)cc[nH+]1 ZINC000096266550 559107727 /nfs/dbraw/zinc/10/77/27/559107727.db2.gz BDECGKNUJRHEAS-UHFFFAOYSA-N 1 2 412.474 5.574 40 0 HKABLO Cc1noc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315929 559109661 /nfs/dbraw/zinc/10/96/61/559109661.db2.gz XARFCAIPGCJETF-IBGZPJMESA-N 1 2 417.340 5.701 40 0 HKABLO Cc1noc(-c2cnc(C)nc2[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315929 559109663 /nfs/dbraw/zinc/10/96/63/559109663.db2.gz XARFCAIPGCJETF-IBGZPJMESA-N 1 2 417.340 5.701 40 0 HKABLO Cc1noc(-c2cnc(C)nc2[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315930 559109598 /nfs/dbraw/zinc/10/95/98/559109598.db2.gz XARFCAIPGCJETF-LJQANCHMSA-N 1 2 417.340 5.701 40 0 HKABLO Cc1noc(-c2cnc(C)nc2[C@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315930 559109600 /nfs/dbraw/zinc/10/96/00/559109600.db2.gz XARFCAIPGCJETF-LJQANCHMSA-N 1 2 417.340 5.701 40 0 HKABLO COC(=O)c1c(/C=C/[NH2+]Cc2ccccc2)n(Cc2ccccc2)nc1-c1ccccc1 ZINC000102330374 559149905 /nfs/dbraw/zinc/14/99/05/559149905.db2.gz HYXLOTHGFYJANH-ISLYRVAYSA-N 1 2 423.516 5.146 40 0 HKABLO c1ccc(C2=C[C@@H](c3ccccc3)N3[C@H](c4ccccc4)[C@@H]3C(c3ccccc3)=[NH+]2)cc1 ZINC000104188754 559158788 /nfs/dbraw/zinc/15/87/88/559158788.db2.gz XBVYAFOZBSKPOK-UPPUQRJNSA-N 1 2 412.536 6.697 40 0 HKABLO c1ccc(C2=C[C@@H](c3ccccc3)N3[C@H](c4ccccc4)[C@H]3C(c3ccccc3)=[NH+]2)cc1 ZINC000104188763 559158766 /nfs/dbraw/zinc/15/87/66/559158766.db2.gz XBVYAFOZBSKPOK-VXVSQYONSA-N 1 2 412.536 6.697 40 0 HKABLO c1ccc(C2=C[C@H](c3ccccc3)N3[C@H](c4ccccc4)[C@H]3C(c3ccccc3)=[NH+]2)cc1 ZINC000104188766 559158808 /nfs/dbraw/zinc/15/88/08/559158808.db2.gz XBVYAFOZBSKPOK-HQRSTYDCSA-N 1 2 412.536 6.697 40 0 HKABLO CC[NH+](CC)CCCC(=O)C=C(O)c1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000104321000 559160318 /nfs/dbraw/zinc/16/03/18/559160318.db2.gz JHRYPRLWOXTSGN-UHFFFAOYSA-N 1 2 422.956 5.819 40 0 HKABLO FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c[nH+]2)cc1 ZINC000115706242 571315448 /nfs/dbraw/zinc/31/54/48/571315448.db2.gz MFXPJGJSKHZZGC-UHFFFAOYSA-N 1 2 416.834 5.833 40 0 HKABLO C[NH+](C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000141570672 569354872 /nfs/dbraw/zinc/35/48/72/569354872.db2.gz KZXAIGDVABBILL-NRFANRHFSA-N 1 2 405.498 5.344 40 0 HKABLO C[NH+](C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000141570840 569354908 /nfs/dbraw/zinc/35/49/08/569354908.db2.gz KZXAIGDVABBILL-OAQYLSRUSA-N 1 2 405.498 5.344 40 0 HKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000219853115 568499045 /nfs/dbraw/zinc/49/90/45/568499045.db2.gz DLSGBYYVIYLXDL-UHFFFAOYSA-N 1 2 400.522 5.429 40 0 HKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 ZINC000219853555 568499174 /nfs/dbraw/zinc/49/91/74/568499174.db2.gz OURKIFWMSQWTOY-UHFFFAOYSA-N 1 2 416.590 6.142 40 0 HKABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 ZINC000219854413 568499254 /nfs/dbraw/zinc/49/92/54/568499254.db2.gz BKYZPORPKQTIGJ-UHFFFAOYSA-N 1 2 420.981 5.054 40 0 HKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 ZINC000219856857 568499239 /nfs/dbraw/zinc/49/92/39/568499239.db2.gz KEGVVGIVEVCGLW-UHFFFAOYSA-N 1 2 420.940 6.296 40 0 HKABLO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](c4ccc(C)cc4)CC3)ccc21 ZINC000219859642 568499234 /nfs/dbraw/zinc/49/92/34/568499234.db2.gz QJEUANJAMKFEKM-UHFFFAOYSA-N 1 2 411.549 5.978 40 0 HKABLO CC[N@H+](CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(C)cc1 ZINC000225076069 568612717 /nfs/dbraw/zinc/61/27/17/568612717.db2.gz WLNCJYVNUMTIKQ-UHFFFAOYSA-N 1 2 409.755 5.057 40 0 HKABLO CC[N@@H+](CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(C)cc1 ZINC000225076069 568612719 /nfs/dbraw/zinc/61/27/19/568612719.db2.gz WLNCJYVNUMTIKQ-UHFFFAOYSA-N 1 2 409.755 5.057 40 0 HKABLO FC(F)(F)c1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000225453456 568639110 /nfs/dbraw/zinc/63/91/10/568639110.db2.gz SQKCTMGJGNYGFD-UHFFFAOYSA-N 1 2 410.852 5.031 40 0 HKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225778224 568673863 /nfs/dbraw/zinc/67/38/63/568673863.db2.gz PATXTVSVMHASGQ-UHFFFAOYSA-N 1 2 417.896 5.035 40 0 HKABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1Cl ZINC000226261874 569278704 /nfs/dbraw/zinc/27/87/04/569278704.db2.gz FRZHZENCNPQRTJ-UHFFFAOYSA-N 1 2 408.329 5.073 40 0 HKABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000226261888 569278687 /nfs/dbraw/zinc/27/86/87/569278687.db2.gz GGWSFSNDYOGMFG-LBPRGKRZSA-N 1 2 408.329 5.215 40 0 HKABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000226261888 569278688 /nfs/dbraw/zinc/27/86/88/569278688.db2.gz GGWSFSNDYOGMFG-LBPRGKRZSA-N 1 2 408.329 5.215 40 0 HKABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000226261893 569278714 /nfs/dbraw/zinc/27/87/14/569278714.db2.gz GGWSFSNDYOGMFG-GFCCVEGCSA-N 1 2 408.329 5.215 40 0 HKABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000226261893 569278716 /nfs/dbraw/zinc/27/87/16/569278716.db2.gz GGWSFSNDYOGMFG-GFCCVEGCSA-N 1 2 408.329 5.215 40 0 HKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000254789390 569374917 /nfs/dbraw/zinc/37/49/17/569374917.db2.gz PQOGPQCDZDICOM-IXYNUQLISA-N 1 2 422.784 5.377 40 0 HKABLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ZINC000254789391 569374943 /nfs/dbraw/zinc/37/49/43/569374943.db2.gz PQOGPQCDZDICOM-NYTXWWLZSA-N 1 2 422.784 5.377 40 0 HKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](Cc2ccc3ccoc3c2)CC1 ZINC000257271932 569377543 /nfs/dbraw/zinc/37/75/43/569377543.db2.gz NAJUXJCTAGUXQE-FQEVSTJZSA-N 1 2 413.521 5.163 40 0 HKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](Cc2ccc3ccoc3c2)CC1 ZINC000257271933 569377568 /nfs/dbraw/zinc/37/75/68/569377568.db2.gz NAJUXJCTAGUXQE-HXUWFJFHSA-N 1 2 413.521 5.163 40 0 HKABLO Clc1ccc2nc(C[NH+]3CCC(c4cccc(Nc5ccccn5)n4)CC3)[nH]c2c1 ZINC000257276021 569377486 /nfs/dbraw/zinc/37/74/86/569377486.db2.gz NSBBYGQLEPUBMB-UHFFFAOYSA-N 1 2 418.932 5.130 40 0 HKABLO O=C1[C@H]2[C@H](C[C@H](c3cccs3)[N@H+]2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000257289295 569377691 /nfs/dbraw/zinc/37/76/91/569377691.db2.gz PXYMAPSXPUDPCA-NQSCKRDGSA-N 1 2 408.954 5.380 40 0 HKABLO O=C1[C@H]2[C@H](C[C@H](c3cccs3)[N@@H+]2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000257289295 569377692 /nfs/dbraw/zinc/37/76/92/569377692.db2.gz PXYMAPSXPUDPCA-NQSCKRDGSA-N 1 2 408.954 5.380 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257289306 569377670 /nfs/dbraw/zinc/37/76/70/569377670.db2.gz PYAXCEDGKCRUTM-KDOFPFPSSA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257289306 569377671 /nfs/dbraw/zinc/37/76/71/569377671.db2.gz PYAXCEDGKCRUTM-KDOFPFPSSA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257289307 569377647 /nfs/dbraw/zinc/37/76/47/569377647.db2.gz PYAXCEDGKCRUTM-RDTXWAMCSA-N 1 2 403.452 5.165 40 0 HKABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257289307 569377649 /nfs/dbraw/zinc/37/76/49/569377649.db2.gz PYAXCEDGKCRUTM-RDTXWAMCSA-N 1 2 403.452 5.165 40 0 HKABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000257321334 569378094 /nfs/dbraw/zinc/37/80/94/569378094.db2.gz WBETXZLRNCDPEA-JOCHJYFZSA-N 1 2 422.960 5.063 40 0 HKABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000257321334 569378095 /nfs/dbraw/zinc/37/80/95/569378095.db2.gz WBETXZLRNCDPEA-JOCHJYFZSA-N 1 2 422.960 5.063 40 0 HKABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000257321335 569378120 /nfs/dbraw/zinc/37/81/20/569378120.db2.gz WBETXZLRNCDPEA-QFIPXVFZSA-N 1 2 422.960 5.063 40 0 HKABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000257321335 569378121 /nfs/dbraw/zinc/37/81/21/569378121.db2.gz WBETXZLRNCDPEA-QFIPXVFZSA-N 1 2 422.960 5.063 40 0 HKABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328955320 569384270 /nfs/dbraw/zinc/38/42/70/569384270.db2.gz ABODRQSYZAPPBU-UHFFFAOYSA-N 1 2 406.839 5.224 40 0 HKABLO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000328956443 569384408 /nfs/dbraw/zinc/38/44/08/569384408.db2.gz AGDHCUUPUOHTTE-UHFFFAOYSA-N 1 2 414.431 5.244 40 0 HKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000328956537 569384474 /nfs/dbraw/zinc/38/44/74/569384474.db2.gz AGXAKTBTNLKAIL-UHFFFAOYSA-N 1 2 406.961 6.295 40 0 HKABLO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328956537 569384476 /nfs/dbraw/zinc/38/44/76/569384476.db2.gz AGXAKTBTNLKAIL-UHFFFAOYSA-N 1 2 406.961 6.295 40 0 HKABLO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328958391 569384425 /nfs/dbraw/zinc/38/44/25/569384425.db2.gz ANIYNMSFZSAOEQ-UHFFFAOYSA-N 1 2 423.358 5.669 40 0 HKABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328958391 569384427 /nfs/dbraw/zinc/38/44/27/569384427.db2.gz ANIYNMSFZSAOEQ-UHFFFAOYSA-N 1 2 423.358 5.669 40 0 HKABLO CCNc1nc(Nc2ccc(OCC)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328958942 571307571 /nfs/dbraw/zinc/30/75/71/571307571.db2.gz AQWJPJOISZLHRO-UHFFFAOYSA-N 1 2 418.419 5.616 40 0 HKABLO CCNc1nc(Nc2ccc(F)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328958955 571307542 /nfs/dbraw/zinc/30/75/42/571307542.db2.gz ARFROENLHZWJIK-UHFFFAOYSA-N 1 2 406.383 5.665 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328959257 569384430 /nfs/dbraw/zinc/38/44/30/569384430.db2.gz ASNSIKDVBPVVMC-HNNXBMFYSA-N 1 2 411.347 5.012 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328959260 569384339 /nfs/dbraw/zinc/38/43/39/569384339.db2.gz ASNSIKDVBPVVMC-OAHLLOKOSA-N 1 2 411.347 5.012 40 0 HKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328960418 569384435 /nfs/dbraw/zinc/38/44/35/569384435.db2.gz AXNXAGCBHSVHNI-UHFFFAOYSA-N 1 2 416.447 6.305 40 0 HKABLO CCNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328960584 569384355 /nfs/dbraw/zinc/38/43/55/569384355.db2.gz AZHNIJVOBKOCCS-UHFFFAOYSA-N 1 2 422.838 5.023 40 0 HKABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328961512 569384465 /nfs/dbraw/zinc/38/44/65/569384465.db2.gz BDMHZBPORJDCRB-UHFFFAOYSA-N 1 2 423.358 5.156 40 0 HKABLO CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328964132 571304794 /nfs/dbraw/zinc/30/47/94/571304794.db2.gz BTIIBKMRCYWRGS-UHFFFAOYSA-N 1 2 411.347 5.729 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328965231 569384368 /nfs/dbraw/zinc/38/43/68/569384368.db2.gz CAYPDIRBSHTUIB-JTQLQIEISA-N 1 2 418.385 5.189 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328965232 569384447 /nfs/dbraw/zinc/38/44/47/569384447.db2.gz CAYPDIRBSHTUIB-SNVBAGLBSA-N 1 2 418.385 5.189 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966207 571309493 /nfs/dbraw/zinc/30/94/93/571309493.db2.gz CIPJMFQUBAGFER-HNNXBMFYSA-N 1 2 411.347 6.169 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966208 571309192 /nfs/dbraw/zinc/30/91/92/571309192.db2.gz CIPJMFQUBAGFER-OAHLLOKOSA-N 1 2 411.347 6.169 40 0 HKABLO Clc1cccc(Nc2cc(N3CCc4cc(Cl)ccc4C3)[nH+]c(C3CC3)n2)c1 ZINC000328966237 569384359 /nfs/dbraw/zinc/38/43/59/569384359.db2.gz CJSMCBQXDBKGSO-UHFFFAOYSA-N 1 2 411.336 5.967 40 0 HKABLO Clc1cccc(Nc2cc(N3CCc4cc(Cl)ccc4C3)nc(C3CC3)[nH+]2)c1 ZINC000328966237 569384361 /nfs/dbraw/zinc/38/43/61/569384361.db2.gz CJSMCBQXDBKGSO-UHFFFAOYSA-N 1 2 411.336 5.967 40 0 HKABLO CNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328966636 571306515 /nfs/dbraw/zinc/30/65/15/571306515.db2.gz CNDCBWIELJQLEK-UHFFFAOYSA-N 1 2 416.447 6.259 40 0 HKABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C(C)C)[nH+]1)C2 ZINC000328966676 569384418 /nfs/dbraw/zinc/38/44/18/569384418.db2.gz CNSUHOLUEZWXJM-UHFFFAOYSA-N 1 2 408.933 5.568 40 0 HKABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C(C)C)n1)C2 ZINC000328966676 569384420 /nfs/dbraw/zinc/38/44/20/569384420.db2.gz CNSUHOLUEZWXJM-UHFFFAOYSA-N 1 2 408.933 5.568 40 0 HKABLO CC(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966689 569384372 /nfs/dbraw/zinc/38/43/72/569384372.db2.gz COBWVLIACYBIBP-UHFFFAOYSA-N 1 2 404.461 5.163 40 0 HKABLO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328967509 569384411 /nfs/dbraw/zinc/38/44/11/569384411.db2.gz CTWXGAVXHYNSHT-UHFFFAOYSA-N 1 2 423.358 5.669 40 0 HKABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328967509 569384413 /nfs/dbraw/zinc/38/44/13/569384413.db2.gz CTWXGAVXHYNSHT-UHFFFAOYSA-N 1 2 423.358 5.669 40 0 HKABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328972172 571305700 /nfs/dbraw/zinc/30/57/00/571305700.db2.gz DURUFRMXZIRCCU-UHFFFAOYSA-N 1 2 401.352 5.913 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328973632 571309519 /nfs/dbraw/zinc/30/95/19/571309519.db2.gz FBTCYIVWMXSMLZ-HNNXBMFYSA-N 1 2 411.347 6.169 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328973633 571309230 /nfs/dbraw/zinc/30/92/30/571309230.db2.gz FBTCYIVWMXSMLZ-OAHLLOKOSA-N 1 2 411.347 6.169 40 0 HKABLO FC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328974336 569384331 /nfs/dbraw/zinc/38/43/31/569384331.db2.gz FFSZWQGXLHOWEH-UHFFFAOYSA-N 1 2 412.459 5.494 40 0 HKABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328974746 569384458 /nfs/dbraw/zinc/38/44/58/569384458.db2.gz FGKNVJFXOBVLNS-UHFFFAOYSA-N 1 2 411.347 6.169 40 0 HKABLO Clc1ccc(Cl)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328974969 569384364 /nfs/dbraw/zinc/38/43/64/569384364.db2.gz FINXVKPNZIOFHM-UHFFFAOYSA-N 1 2 413.352 5.782 40 0 HKABLO CCNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328975438 571307530 /nfs/dbraw/zinc/30/75/30/571307530.db2.gz FKKSIUIUQOVMOU-UHFFFAOYSA-N 1 2 422.838 6.179 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328976719 571304770 /nfs/dbraw/zinc/30/47/70/571304770.db2.gz FPPJCEQQJXLTEL-UHFFFAOYSA-N 1 2 415.310 5.999 40 0 HKABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328977820 569384501 /nfs/dbraw/zinc/38/45/01/569384501.db2.gz FWFJDHAITRKFEL-UHFFFAOYSA-N 1 2 415.379 5.065 40 0 HKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c(Br)c1 ZINC000328978316 571308324 /nfs/dbraw/zinc/30/83/24/571308324.db2.gz FXPCZSFMFGGYEN-UHFFFAOYSA-N 1 2 411.347 6.169 40 0 HKABLO Brc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328978761 569384572 /nfs/dbraw/zinc/38/45/72/569384572.db2.gz GAIJNYSZVVPWQF-UHFFFAOYSA-N 1 2 423.358 5.238 40 0 HKABLO CC(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328981175 569384561 /nfs/dbraw/zinc/38/45/61/569384561.db2.gz GRXINEXZRIWRSM-UHFFFAOYSA-N 1 2 422.838 5.103 40 0 HKABLO FC(F)(F)Sc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328981676 569384539 /nfs/dbraw/zinc/38/45/39/569384539.db2.gz GVHRWLDVDXFGMQ-UHFFFAOYSA-N 1 2 408.493 5.298 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328981817 571305151 /nfs/dbraw/zinc/30/51/51/571305151.db2.gz GWTHMXSULBDPCA-UHFFFAOYSA-N 1 2 418.385 6.346 40 0 HKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328982071 519816695 /nfs/dbraw/zinc/81/66/95/519816695.db2.gz GXTZSWKVRHYKIJ-IBGZPJMESA-N 1 2 416.447 5.335 40 0 HKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328982075 569384556 /nfs/dbraw/zinc/38/45/56/569384556.db2.gz GXTZSWKVRHYKIJ-LJQANCHMSA-N 1 2 416.447 5.335 40 0 HKABLO CC(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328982426 569384544 /nfs/dbraw/zinc/38/45/44/569384544.db2.gz HACSLNNWGLCNBO-UHFFFAOYSA-N 1 2 406.839 5.224 40 0 HKABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000328984051 569384529 /nfs/dbraw/zinc/38/45/29/569384529.db2.gz HKDJOJMJWPUMCH-UHFFFAOYSA-N 1 2 413.352 5.782 40 0 HKABLO Brc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328984928 569384518 /nfs/dbraw/zinc/38/45/18/569384518.db2.gz HQUDTMXXDJUXDS-UHFFFAOYSA-N 1 2 423.358 5.238 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328985262 571309619 /nfs/dbraw/zinc/30/96/19/571309619.db2.gz HRPHUFYQSDOASF-HNNXBMFYSA-N 1 2 416.447 6.305 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328985263 571309190 /nfs/dbraw/zinc/30/91/90/571309190.db2.gz HRPHUFYQSDOASF-OAHLLOKOSA-N 1 2 416.447 6.305 40 0 HKABLO CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328985267 571306112 /nfs/dbraw/zinc/30/61/12/571306112.db2.gz HRRFJWUAMVQSTM-IBGZPJMESA-N 1 2 417.340 5.623 40 0 HKABLO CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328985268 571305861 /nfs/dbraw/zinc/30/58/61/571305861.db2.gz HRRFJWUAMVQSTM-LJQANCHMSA-N 1 2 417.340 5.623 40 0 HKABLO CNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328987642 571306549 /nfs/dbraw/zinc/30/65/49/571306549.db2.gz ICKRWEBWMAQEDL-UHFFFAOYSA-N 1 2 408.811 5.789 40 0 HKABLO CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328989604 571307550 /nfs/dbraw/zinc/30/75/50/571307550.db2.gz IJZBGRQODWUXGJ-UHFFFAOYSA-N 1 2 408.811 5.871 40 0 HKABLO Oc1c(Cl)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000328990990 569384617 /nfs/dbraw/zinc/38/46/17/569384617.db2.gz IRNWYTNZPGOEGK-UHFFFAOYSA-N 1 2 415.324 5.098 40 0 HKABLO CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328992484 571305213 /nfs/dbraw/zinc/30/52/13/571305213.db2.gz IVQCQPQJKBVVME-UHFFFAOYSA-N 1 2 400.570 6.929 40 0 HKABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328995848 569384566 /nfs/dbraw/zinc/38/45/66/569384566.db2.gz JIQFIFUWIPNWIY-UHFFFAOYSA-N 1 2 412.459 5.413 40 0 HKABLO FC(F)(F)c1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328996572 569384576 /nfs/dbraw/zinc/38/45/76/569384576.db2.gz JKIFMSKAJQWVOG-UHFFFAOYSA-N 1 2 410.871 5.358 40 0 HKABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328996722 571306553 /nfs/dbraw/zinc/30/65/53/571306553.db2.gz JMMUHFQGHUBNCC-FQEVSTJZSA-N 1 2 410.949 5.586 40 0 HKABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328996723 571306537 /nfs/dbraw/zinc/30/65/37/571306537.db2.gz JMMUHFQGHUBNCC-HXUWFJFHSA-N 1 2 410.949 5.586 40 0 HKABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1Br ZINC000328997929 571307747 /nfs/dbraw/zinc/30/77/47/571307747.db2.gz JQMGBKPJYUXHEW-UHFFFAOYSA-N 1 2 401.352 5.913 40 0 HKABLO CC(C)(C)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329002784 571304873 /nfs/dbraw/zinc/30/48/73/571304873.db2.gz KJBLMAHVFYMTKY-UHFFFAOYSA-N 1 2 416.447 5.865 40 0 HKABLO CC1(C)CN(c2cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]2)Cc2ccccc21 ZINC000329008470 569384707 /nfs/dbraw/zinc/38/47/07/569384707.db2.gz LQSSEYCRBSCVTD-UHFFFAOYSA-N 1 2 404.945 6.049 40 0 HKABLO CC1(C)CN(c2cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000329008470 569384709 /nfs/dbraw/zinc/38/47/09/569384709.db2.gz LQSSEYCRBSCVTD-UHFFFAOYSA-N 1 2 404.945 6.049 40 0 HKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(Br)c1 ZINC000329009051 569384733 /nfs/dbraw/zinc/38/47/33/569384733.db2.gz LVEZOZWQYKITEA-UHFFFAOYSA-N 1 2 423.358 5.156 40 0 HKABLO CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329012076 571304798 /nfs/dbraw/zinc/30/47/98/571304798.db2.gz MINKRJJDNRXPFK-UHFFFAOYSA-N 1 2 411.347 5.729 40 0 HKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329012108 571307861 /nfs/dbraw/zinc/30/78/61/571307861.db2.gz MJMKYBGXVMJQGJ-UHFFFAOYSA-N 1 2 406.452 6.049 40 0 HKABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329013081 571308284 /nfs/dbraw/zinc/30/82/84/571308284.db2.gz MNWKVLRZXIIGIZ-FQEVSTJZSA-N 1 2 410.949 5.586 40 0 HKABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329013082 571308301 /nfs/dbraw/zinc/30/83/01/571308301.db2.gz MNWKVLRZXIIGIZ-HXUWFJFHSA-N 1 2 410.949 5.586 40 0 HKABLO Clc1cc(Cl)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329013517 569384688 /nfs/dbraw/zinc/38/46/88/569384688.db2.gz MQDYMIFPGXROBZ-UHFFFAOYSA-N 1 2 413.352 5.782 40 0 HKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329015518 569384656 /nfs/dbraw/zinc/38/46/56/569384656.db2.gz NCDKRPOKRZYDDC-UHFFFAOYSA-N 1 2 406.961 6.338 40 0 HKABLO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329015518 569384657 /nfs/dbraw/zinc/38/46/57/569384657.db2.gz NCDKRPOKRZYDDC-UHFFFAOYSA-N 1 2 406.961 6.338 40 0 HKABLO CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329015846 571304977 /nfs/dbraw/zinc/30/49/77/571304977.db2.gz NCKNYNGEVHMNOX-UHFFFAOYSA-N 1 2 418.488 6.710 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329016885 571305115 /nfs/dbraw/zinc/30/51/15/571305115.db2.gz NJWWQWSURCDMND-UHFFFAOYSA-N 1 2 400.832 5.860 40 0 HKABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329017946 569384699 /nfs/dbraw/zinc/38/46/99/569384699.db2.gz NOBGJZNDGFCBOK-UHFFFAOYSA-N 1 2 406.961 5.746 40 0 HKABLO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329019909 569384723 /nfs/dbraw/zinc/38/47/23/569384723.db2.gz NZJBBXOWBDBFPG-UHFFFAOYSA-N 1 2 409.331 5.108 40 0 HKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329022602 571307724 /nfs/dbraw/zinc/30/77/24/571307724.db2.gz ONJSXSWOCOFJKM-UHFFFAOYSA-N 1 2 400.404 5.669 40 0 HKABLO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329023538 569384760 /nfs/dbraw/zinc/38/47/60/569384760.db2.gz OUROWUGFAXQQND-UHFFFAOYSA-N 1 2 409.331 5.108 40 0 HKABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)C2 ZINC000329024473 569384716 /nfs/dbraw/zinc/38/47/16/569384716.db2.gz PACCPYJYWUYBKL-HNNXBMFYSA-N 1 2 420.944 5.367 40 0 HKABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)C2 ZINC000329024473 569384718 /nfs/dbraw/zinc/38/47/18/569384718.db2.gz PACCPYJYWUYBKL-HNNXBMFYSA-N 1 2 420.944 5.367 40 0 HKABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)C2 ZINC000329024476 569384743 /nfs/dbraw/zinc/38/47/43/569384743.db2.gz PACCPYJYWUYBKL-OAHLLOKOSA-N 1 2 420.944 5.367 40 0 HKABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)C2 ZINC000329024476 569384744 /nfs/dbraw/zinc/38/47/44/569384744.db2.gz PACCPYJYWUYBKL-OAHLLOKOSA-N 1 2 420.944 5.367 40 0 HKABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329025194 571309215 /nfs/dbraw/zinc/30/92/15/571309215.db2.gz PECPQGJDJBDJJB-UHFFFAOYSA-N 1 2 416.447 6.125 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329025294 569384748 /nfs/dbraw/zinc/38/47/48/569384748.db2.gz PFLCHIBFELRTBS-CYBMUJFWSA-N 1 2 420.866 5.614 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329025295 569384739 /nfs/dbraw/zinc/38/47/39/569384739.db2.gz PFLCHIBFELRTBS-ZDUSSCGKSA-N 1 2 420.866 5.614 40 0 HKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329025372 571307799 /nfs/dbraw/zinc/30/77/99/571307799.db2.gz PGLVYEUZUQERAG-UHFFFAOYSA-N 1 2 402.420 5.915 40 0 HKABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329026675 571308133 /nfs/dbraw/zinc/30/81/33/571308133.db2.gz PONFHVCVMNCEEQ-UHFFFAOYSA-N 1 2 400.448 6.425 40 0 HKABLO Brc1ccc2c(c1)CN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000329027338 569384666 /nfs/dbraw/zinc/38/46/66/569384666.db2.gz PSAVVAKTTKSWDO-UHFFFAOYSA-N 1 2 421.342 5.423 40 0 HKABLO Brc1ccc2c(c1)CN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000329027338 569384668 /nfs/dbraw/zinc/38/46/68/569384668.db2.gz PSAVVAKTTKSWDO-UHFFFAOYSA-N 1 2 421.342 5.423 40 0 HKABLO CNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329027387 571306502 /nfs/dbraw/zinc/30/65/02/571306502.db2.gz PSFABWCRBRZZGN-UHFFFAOYSA-N 1 2 416.447 6.125 40 0 HKABLO CC1(C)Cc2ccccc2CN1c1cc(Nc2cccc(Cl)c2)nc(C2CC2)[nH+]1 ZINC000329029246 569384635 /nfs/dbraw/zinc/38/46/35/569384635.db2.gz PYJVZSJBRZWCMP-UHFFFAOYSA-N 1 2 404.945 6.092 40 0 HKABLO CC1(C)Cc2ccccc2CN1c1cc(Nc2cccc(Cl)c2)[nH+]c(C2CC2)n1 ZINC000329029246 569384637 /nfs/dbraw/zinc/38/46/37/569384637.db2.gz PYJVZSJBRZWCMP-UHFFFAOYSA-N 1 2 404.945 6.092 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329031380 569384765 /nfs/dbraw/zinc/38/47/65/569384765.db2.gz QJDHVONGPQRVTO-HNNXBMFYSA-N 1 2 400.448 5.269 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329031383 569384741 /nfs/dbraw/zinc/38/47/41/569384741.db2.gz QJDHVONGPQRVTO-OAHLLOKOSA-N 1 2 400.448 5.269 40 0 HKABLO Brc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329032688 569384755 /nfs/dbraw/zinc/38/47/55/569384755.db2.gz QOZMAMCBXBIWOQ-UHFFFAOYSA-N 1 2 421.342 5.423 40 0 HKABLO Brc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329032688 569384756 /nfs/dbraw/zinc/38/47/56/569384756.db2.gz QOZMAMCBXBIWOQ-UHFFFAOYSA-N 1 2 421.342 5.423 40 0 HKABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000329033283 571305554 /nfs/dbraw/zinc/30/55/54/571305554.db2.gz QTDQYDPVZLYEHV-UHFFFAOYSA-N 1 2 400.448 6.425 40 0 HKABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000329037082 569384903 /nfs/dbraw/zinc/38/49/03/569384903.db2.gz RLXRPPCTWIURAP-UHFFFAOYSA-N 1 2 410.871 5.358 40 0 HKABLO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329040294 569384861 /nfs/dbraw/zinc/38/48/61/569384861.db2.gz SCNRFPWCEPABQW-UHFFFAOYSA-N 1 2 414.431 5.244 40 0 HKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329040719 571304851 /nfs/dbraw/zinc/30/48/51/571304851.db2.gz SDOKHUHNJMHIHX-UHFFFAOYSA-N 1 2 412.459 6.651 40 0 HKABLO CC(C)(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329041360 571305034 /nfs/dbraw/zinc/30/50/34/571305034.db2.gz SIVOQQFNNMERRP-UHFFFAOYSA-N 1 2 402.420 5.996 40 0 HKABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(NC4CCCCC4)n3)ccc2s1 ZINC000329041883 569384879 /nfs/dbraw/zinc/38/48/79/569384879.db2.gz SKNOTXNBJULUKS-UHFFFAOYSA-N 1 2 415.566 5.394 40 0 HKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329042508 569384863 /nfs/dbraw/zinc/38/48/63/569384863.db2.gz SNAQHVWXPICRFW-UHFFFAOYSA-N 1 2 413.352 6.213 40 0 HKABLO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329042508 569384864 /nfs/dbraw/zinc/38/48/64/569384864.db2.gz SNAQHVWXPICRFW-UHFFFAOYSA-N 1 2 413.352 6.213 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329047078 569384887 /nfs/dbraw/zinc/38/48/87/569384887.db2.gz UEMOGHSSCRDIIU-AWEZNQCLSA-N 1 2 411.347 5.012 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329047080 569384856 /nfs/dbraw/zinc/38/48/56/569384856.db2.gz UEMOGHSSCRDIIU-CQSZACIVSA-N 1 2 411.347 5.012 40 0 HKABLO FC(F)Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329049095 571305066 /nfs/dbraw/zinc/30/50/66/571305066.db2.gz UOKGCAYVBLTKHR-UHFFFAOYSA-N 1 2 410.468 6.233 40 0 HKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1C(F)(F)F ZINC000329050026 569384873 /nfs/dbraw/zinc/38/48/73/569384873.db2.gz UROVSKLNCCQZER-UHFFFAOYSA-N 1 2 412.459 5.413 40 0 HKABLO CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000329050848 571304817 /nfs/dbraw/zinc/30/48/17/571304817.db2.gz UVEFYNKKZZMPAI-UHFFFAOYSA-N 1 2 411.347 5.729 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329051401 571304920 /nfs/dbraw/zinc/30/49/20/571304920.db2.gz UWGFIAFIOIQJOS-UHFFFAOYSA-N 1 2 415.310 5.999 40 0 HKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)ccc1Br ZINC000329053393 569384885 /nfs/dbraw/zinc/38/48/85/569384885.db2.gz VGFWPXIQFQJTOR-UHFFFAOYSA-N 1 2 411.347 6.169 40 0 HKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)ccc1C(C)C ZINC000329053886 571307680 /nfs/dbraw/zinc/30/76/80/571307680.db2.gz VHEZVIXUJTTXOL-UHFFFAOYSA-N 1 2 400.570 7.064 40 0 HKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329053893 569384912 /nfs/dbraw/zinc/38/49/12/569384912.db2.gz VHMWKLPHIQIWQS-JOCHJYFZSA-N 1 2 404.558 5.614 40 0 HKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329053894 569384897 /nfs/dbraw/zinc/38/48/97/569384897.db2.gz VHMWKLPHIQIWQS-QFIPXVFZSA-N 1 2 404.558 5.614 40 0 HKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329054032 571306181 /nfs/dbraw/zinc/30/61/81/571306181.db2.gz VJEZKIATVRMDAK-IBGZPJMESA-N 1 2 417.340 5.623 40 0 HKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329054034 571305937 /nfs/dbraw/zinc/30/59/37/571305937.db2.gz VJEZKIATVRMDAK-LJQANCHMSA-N 1 2 417.340 5.623 40 0 HKABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(NC4CCCC4)n3)ccc2s1 ZINC000329054114 569384854 /nfs/dbraw/zinc/38/48/54/569384854.db2.gz VJRJREOLZSFZLS-UHFFFAOYSA-N 1 2 401.539 5.004 40 0 HKABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329054756 571305693 /nfs/dbraw/zinc/30/56/93/571305693.db2.gz VLEMWHZBAHXBPK-UHFFFAOYSA-N 1 2 423.358 6.313 40 0 HKABLO FC(F)(F)c1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1Cl ZINC000329055372 569384802 /nfs/dbraw/zinc/38/48/02/569384802.db2.gz VNJVUGDKRDTJDX-UHFFFAOYSA-N 1 2 410.871 5.358 40 0 HKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329059134 569384845 /nfs/dbraw/zinc/38/48/45/569384845.db2.gz WGFAUWLGUWHXHG-INIZCTEOSA-N 1 2 422.960 5.613 40 0 HKABLO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329059134 569384846 /nfs/dbraw/zinc/38/48/46/569384846.db2.gz WGFAUWLGUWHXHG-INIZCTEOSA-N 1 2 422.960 5.613 40 0 HKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329059138 569384824 /nfs/dbraw/zinc/38/48/24/569384824.db2.gz WGFAUWLGUWHXHG-MRXNPFEDSA-N 1 2 422.960 5.613 40 0 HKABLO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329059138 569384826 /nfs/dbraw/zinc/38/48/26/569384826.db2.gz WGFAUWLGUWHXHG-MRXNPFEDSA-N 1 2 422.960 5.613 40 0 HKABLO FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329059607 569384870 /nfs/dbraw/zinc/38/48/70/569384870.db2.gz WICIJJBPNYRGJZ-UHFFFAOYSA-N 1 2 412.459 5.494 40 0 HKABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329060310 571305569 /nfs/dbraw/zinc/30/55/69/571305569.db2.gz WLIAAENKWBDMSG-UHFFFAOYSA-N 1 2 411.347 6.169 40 0 HKABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)C2 ZINC000329060325 569384867 /nfs/dbraw/zinc/38/48/67/569384867.db2.gz WLPSTRXZAZXNMS-UHFFFAOYSA-N 1 2 406.917 5.322 40 0 HKABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)C2 ZINC000329060325 569384868 /nfs/dbraw/zinc/38/48/68/569384868.db2.gz WLPSTRXZAZXNMS-UHFFFAOYSA-N 1 2 406.917 5.322 40 0 HKABLO Clc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1Cl ZINC000329060340 569384834 /nfs/dbraw/zinc/38/48/34/569384834.db2.gz WMFOWBTZNQDNKZ-UHFFFAOYSA-N 1 2 413.352 5.782 40 0 HKABLO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329061834 569385020 /nfs/dbraw/zinc/38/50/20/569385020.db2.gz WUVAZBFUSVCMKU-UHFFFAOYSA-N 1 2 402.542 5.134 40 0 HKABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329061834 569385021 /nfs/dbraw/zinc/38/50/21/569385021.db2.gz WUVAZBFUSVCMKU-UHFFFAOYSA-N 1 2 402.542 5.134 40 0 HKABLO CC(C)(C)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329062187 571304775 /nfs/dbraw/zinc/30/47/75/571304775.db2.gz WVLIHLJZJYINSY-UHFFFAOYSA-N 1 2 422.476 5.926 40 0 HKABLO CCNc1nc(Nc2ccc(F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329062958 571307535 /nfs/dbraw/zinc/30/75/35/571307535.db2.gz XBKVUJPSRMJDTI-UHFFFAOYSA-N 1 2 406.383 5.665 40 0 HKABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cccc1C(F)(F)F ZINC000329065026 569384964 /nfs/dbraw/zinc/38/49/64/569384964.db2.gz XNIVHFMREXWGGJ-UHFFFAOYSA-N 1 2 412.459 5.413 40 0 HKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)ccc1Br ZINC000329066623 571307683 /nfs/dbraw/zinc/30/76/83/571307683.db2.gz YCNCMVMCYXHHBW-UHFFFAOYSA-N 1 2 423.358 6.313 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067228 569385006 /nfs/dbraw/zinc/38/50/06/569385006.db2.gz YGPDNWBXTRXHPX-AWEZNQCLSA-N 1 2 418.488 5.553 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067230 569385009 /nfs/dbraw/zinc/38/50/09/569385009.db2.gz YGPDNWBXTRXHPX-CQSZACIVSA-N 1 2 418.488 5.553 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329067613 569385001 /nfs/dbraw/zinc/38/50/01/569385001.db2.gz YJEWTZJOZZKTQV-AWEZNQCLSA-N 1 2 400.448 5.269 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329067614 569384987 /nfs/dbraw/zinc/38/49/87/569384987.db2.gz YJEWTZJOZZKTQV-CQSZACIVSA-N 1 2 400.448 5.269 40 0 HKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329068345 569384984 /nfs/dbraw/zinc/38/49/84/569384984.db2.gz YPWGPKWSYGSDIO-HSZRJFAPSA-N 1 2 404.558 5.748 40 0 HKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329068346 569385011 /nfs/dbraw/zinc/38/50/11/569385011.db2.gz YPWGPKWSYGSDIO-QHCPKHFHSA-N 1 2 404.558 5.748 40 0 HKABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329068573 569384991 /nfs/dbraw/zinc/38/49/91/569384991.db2.gz YQOAOMVGFMRMEM-UHFFFAOYSA-N 1 2 413.352 5.782 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329069078 569384981 /nfs/dbraw/zinc/38/49/81/569384981.db2.gz YUQSPUMHRZUKGD-CYBMUJFWSA-N 1 2 420.866 5.614 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329069079 569384960 /nfs/dbraw/zinc/38/49/60/569384960.db2.gz YUQSPUMHRZUKGD-ZDUSSCGKSA-N 1 2 420.866 5.614 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329070958 571304766 /nfs/dbraw/zinc/30/47/66/571304766.db2.gz ZMFJPDZDSTXQFA-UHFFFAOYSA-N 1 2 420.866 6.770 40 0 HKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329071543 571308416 /nfs/dbraw/zinc/30/84/16/571308416.db2.gz ZQTQLXOULTYTQO-UHFFFAOYSA-N 1 2 400.448 6.425 40 0 HKABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329071779 569384974 /nfs/dbraw/zinc/38/49/74/569384974.db2.gz ZSPACBAUZUXVKY-UHFFFAOYSA-N 1 2 406.961 5.746 40 0 HKABLO CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329071899 571304835 /nfs/dbraw/zinc/30/48/35/571304835.db2.gz ZTNCOXPORMPYBQ-UHFFFAOYSA-N 1 2 420.866 6.770 40 0 HKABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329072098 569384970 /nfs/dbraw/zinc/38/49/70/569384970.db2.gz ZUPITRMFWNQGDW-HNNXBMFYSA-N 1 2 400.448 5.269 40 0 HKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329072099 569384977 /nfs/dbraw/zinc/38/49/77/569384977.db2.gz ZUPITRMFWNQGDW-OAHLLOKOSA-N 1 2 400.448 5.269 40 0 HKABLO COc1ccc(C[N@H+](C)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000408718695 558585787 /nfs/dbraw/zinc/58/57/87/558585787.db2.gz XZJIZDBCJYJFPL-UHFFFAOYSA-N 1 2 416.550 5.168 40 0 HKABLO COc1ccc(C[N@@H+](C)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000408718695 558585788 /nfs/dbraw/zinc/58/57/88/558585788.db2.gz XZJIZDBCJYJFPL-UHFFFAOYSA-N 1 2 416.550 5.168 40 0 HKABLO Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000408959652 560657559 /nfs/dbraw/zinc/65/75/59/560657559.db2.gz CPCJMIHIVOAJEG-JCMHNJIXSA-N 1 2 417.534 5.088 40 0 HKABLO Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)c1 ZINC000408961093 560658089 /nfs/dbraw/zinc/65/80/89/560658089.db2.gz QYINZFAAUHWMBU-JCMHNJIXSA-N 1 2 417.534 5.088 40 0 HKABLO C=C1[NH+]=C(SCC(C)C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408985799 558837830 /nfs/dbraw/zinc/83/78/30/558837830.db2.gz AZVAMZHHFMVRPO-INIZCTEOSA-N 1 2 401.359 5.220 40 0 HKABLO C=C1[NH+]=C(SCC(C)C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408985800 558837888 /nfs/dbraw/zinc/83/78/88/558837888.db2.gz AZVAMZHHFMVRPO-MRXNPFEDSA-N 1 2 401.359 5.220 40 0 HKABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409129415 558983753 /nfs/dbraw/zinc/98/37/53/558983753.db2.gz GLTXFFPSFWDMFI-RCCKNPSSSA-N 1 2 409.555 5.160 40 0 HKABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409194652 559015114 /nfs/dbraw/zinc/01/51/14/559015114.db2.gz QBQNFLRUCMCRJA-XSFVSMFZSA-N 1 2 423.925 5.438 40 0 HKABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409211747 559020918 /nfs/dbraw/zinc/02/09/18/559020918.db2.gz OCURZBCNFGZGQL-XSFVSMFZSA-N 1 2 423.925 5.438 40 0 HKABLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272710 569030203 /nfs/dbraw/zinc/03/02/03/569030203.db2.gz MLLWGQXKEMAEKK-IBGZPJMESA-N 1 2 412.946 5.089 40 0 HKABLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272710 569030204 /nfs/dbraw/zinc/03/02/04/569030204.db2.gz MLLWGQXKEMAEKK-IBGZPJMESA-N 1 2 412.946 5.089 40 0 HKABLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272730 569030208 /nfs/dbraw/zinc/03/02/08/569030208.db2.gz MLLWGQXKEMAEKK-LJQANCHMSA-N 1 2 412.946 5.089 40 0 HKABLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272730 569030209 /nfs/dbraw/zinc/03/02/09/569030209.db2.gz MLLWGQXKEMAEKK-LJQANCHMSA-N 1 2 412.946 5.089 40 0 HKABLO