smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1Cl ZINC000000267820 567926276 /nfs/dbraw/zinc/92/62/76/567926276.db2.gz RPLMZGXPHOMMKL-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO CC(C)CCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000000513985 169659876 /nfs/dbraw/zinc/65/98/76/169659876.db2.gz OXTLSHFAOOJIAI-UHFFFAOYSA-N 1 2 293.414 4.695 10 0 CJAELO C[NH+](C)c1ccc(NCc2ccc(Cl)cc2Cl)cc1 ZINC000000570687 169670418 /nfs/dbraw/zinc/67/04/18/169670418.db2.gz JGDBLKGMCZIMTQ-UHFFFAOYSA-N 1 2 295.213 4.672 10 0 CJAELO CC(C)Cn1c[nH+]cc1-c1ccc(Oc2ccccc2)cc1 ZINC000005114442 170067339 /nfs/dbraw/zinc/06/73/39/170067339.db2.gz BNIHWBYFJFBPSO-UHFFFAOYSA-N 1 2 292.382 4.998 10 0 CJAELO CC[NH+](CC)c1ccc2c(c1)-c1cc(C)cc(C)c1C2 ZINC000005139480 170070515 /nfs/dbraw/zinc/07/05/15/170070515.db2.gz RIZOSLSFFFSXDV-UHFFFAOYSA-N 1 2 265.400 4.721 10 0 CJAELO CCn1c2cc(C)c(C)cc2n2cc(-c3ccccc3)[nH+]c21 ZINC000005285512 170082697 /nfs/dbraw/zinc/08/26/97/170082697.db2.gz AXXIUDIJECVSIT-UHFFFAOYSA-N 1 2 289.382 4.593 10 0 CJAELO CC[NH+](CC)c1ccc(Cc2cn(C)c3ccccc23)cc1 ZINC000005311804 170085174 /nfs/dbraw/zinc/08/51/74/170085174.db2.gz RZOHDJPRTNHXEI-UHFFFAOYSA-N 1 2 292.426 4.615 10 0 CJAELO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccccc12 ZINC000005394278 170094433 /nfs/dbraw/zinc/09/44/33/170094433.db2.gz VXYZRGISUQDMQI-UHFFFAOYSA-N 1 2 268.747 4.940 10 0 CJAELO [NH2+]=C(c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000005581962 170115948 /nfs/dbraw/zinc/11/59/48/170115948.db2.gz PTXGUWDEUKICHG-UHFFFAOYSA-N 1 2 272.351 4.850 10 0 CJAELO CCc1ccccc1Nc1cc(C)c2ccccc2[nH+]1 ZINC000005585469 170116062 /nfs/dbraw/zinc/11/60/62/170116062.db2.gz BETJJNYNQDTYAM-UHFFFAOYSA-N 1 2 262.356 4.849 10 0 CJAELO COc1cccc2c(Nc3ccc(Cl)cc3)cc(C)[nH+]c12 ZINC000005587600 170116515 /nfs/dbraw/zinc/11/65/15/170116515.db2.gz NDRCGWAKLAWVQT-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO COc1cccc2c(Nc3cccc(Cl)c3)cc(C)[nH+]c12 ZINC000005587609 170116663 /nfs/dbraw/zinc/11/66/63/170116663.db2.gz BPGJNCDJPWQFBS-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO COc1cccc2c(Nc3ccccc3Cl)cc(C)[nH+]c12 ZINC000005587615 170116819 /nfs/dbraw/zinc/11/68/19/170116819.db2.gz KHYVIDSTORWYPU-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO Cc1cccc(C)c1Nc1cc(C)c2ccccc2[nH+]1 ZINC000005589846 170116505 /nfs/dbraw/zinc/11/65/05/170116505.db2.gz KDYAUNOITDSPLP-UHFFFAOYSA-N 1 2 262.356 4.904 10 0 CJAELO Cc1ccc2[nH]c(Cc3cccc4ccccc43)[nH+]c2c1 ZINC000005818402 170143758 /nfs/dbraw/zinc/14/37/58/170143758.db2.gz NFWTUIHQPSOQRU-UHFFFAOYSA-N 1 2 272.351 4.615 10 0 CJAELO Cc1[nH+]c(C(C)C)c(Sc2cccc(Cl)c2)n1C ZINC000005892995 170150892 /nfs/dbraw/zinc/15/08/92/170150892.db2.gz URAVBJOMEZLKJX-UHFFFAOYSA-N 1 2 280.824 4.657 10 0 CJAELO c1cn([C@@H](c2c[nH]cc2-c2ccccc2)c2ccccc2)c[nH+]1 ZINC000005974743 170164858 /nfs/dbraw/zinc/16/48/58/170164858.db2.gz OXAYMRKIQACOMU-HXUWFJFHSA-N 1 2 299.377 4.516 10 0 CJAELO c1cn([C@H](c2c[nH]cc2-c2ccccc2)c2ccccc2)c[nH+]1 ZINC000005974752 170164986 /nfs/dbraw/zinc/16/49/86/170164986.db2.gz OXAYMRKIQACOMU-FQEVSTJZSA-N 1 2 299.377 4.516 10 0 CJAELO CCCCCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000006856568 170249609 /nfs/dbraw/zinc/24/96/09/170249609.db2.gz SAXWXUMYYBCENN-UHFFFAOYSA-N 1 2 293.414 4.839 10 0 CJAELO CCCCn1c2ccccc2[nH+]c1Nc1ccccc1OC ZINC000006856804 170250283 /nfs/dbraw/zinc/25/02/83/170250283.db2.gz VJZDYSLOJSIIHU-UHFFFAOYSA-N 1 2 295.386 4.589 10 0 CJAELO Clc1ccc(Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000012251130 570301478 /nfs/dbraw/zinc/30/14/78/570301478.db2.gz PJNVIUDOQONLQS-UHFFFAOYSA-N 1 2 272.779 4.684 10 0 CJAELO Cc1c2ccccc2oc1[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000020369020 171167275 /nfs/dbraw/zinc/16/72/75/171167275.db2.gz PMXPTDSGJCWNNI-KRWDZBQOSA-N 1 2 277.323 4.536 10 0 CJAELO Cc1c2ccccc2oc1[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020369023 171167222 /nfs/dbraw/zinc/16/72/22/171167222.db2.gz PMXPTDSGJCWNNI-QGZVFWFLSA-N 1 2 277.323 4.536 10 0 CJAELO CC(C)Oc1ccc([NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020472958 171216391 /nfs/dbraw/zinc/21/63/91/171216391.db2.gz BCKLCUJPKMEPCD-KBPBESRZSA-N 1 2 261.409 4.710 10 0 CJAELO CC(C)Oc1ccc([NH2+]C2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020472959 171216373 /nfs/dbraw/zinc/21/63/73/171216373.db2.gz BCKLCUJPKMEPCD-VMZNBEPHSA-N 1 2 261.409 4.710 10 0 CJAELO CC(C)Oc1ccc([NH2+]C2[C@H](C)CCC[C@H]2C)cc1 ZINC000020472960 171216894 /nfs/dbraw/zinc/21/68/94/171216894.db2.gz BCKLCUJPKMEPCD-ZIAGYGMSSA-N 1 2 261.409 4.710 10 0 CJAELO FC(F)Oc1ccc([NH2+]C2CCCCCCC2)cc1 ZINC000020548622 171245836 /nfs/dbraw/zinc/24/58/36/171245836.db2.gz NLCPFXZSQLCRKS-UHFFFAOYSA-N 1 2 269.335 4.813 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000020548790 171245722 /nfs/dbraw/zinc/24/57/22/171245722.db2.gz DTXUGJXNKZMWJL-DGCLKSJQSA-N 1 2 281.827 4.975 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000020548791 171245736 /nfs/dbraw/zinc/24/57/36/171245736.db2.gz DTXUGJXNKZMWJL-YPMHNXCESA-N 1 2 281.827 4.975 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000020548792 171245794 /nfs/dbraw/zinc/24/57/94/171245794.db2.gz DTXUGJXNKZMWJL-WCQYABFASA-N 1 2 281.827 4.975 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000020548793 171245785 /nfs/dbraw/zinc/24/57/85/171245785.db2.gz DTXUGJXNKZMWJL-AAEUAGOBSA-N 1 2 281.827 4.975 10 0 CJAELO c1ccc2[nH+]c(NC3CCCCCCC3)ccc2c1 ZINC000020549247 171246336 /nfs/dbraw/zinc/24/63/36/171246336.db2.gz BGXMNWVUFICKTB-UHFFFAOYSA-N 1 2 254.377 4.760 10 0 CJAELO CCCCC[C@@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000020557411 171250436 /nfs/dbraw/zinc/25/04/36/171250436.db2.gz JSJHZTKMELRSGV-LLVKDONJSA-N 1 2 257.324 4.669 10 0 CJAELO CCCCC[C@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000020557413 171250268 /nfs/dbraw/zinc/25/02/68/171250268.db2.gz JSJHZTKMELRSGV-NSHDSACASA-N 1 2 257.324 4.669 10 0 CJAELO COc1cc(OC)c([NH2+][C@@H](C)CCC(C)C)cc1Cl ZINC000020563919 171252876 /nfs/dbraw/zinc/25/28/76/171252876.db2.gz QCXFQKYZDMMELO-NSHDSACASA-N 1 2 285.815 4.594 10 0 CJAELO COc1cc(OC)c([NH2+][C@H](C)CCC(C)C)cc1Cl ZINC000020563921 171253021 /nfs/dbraw/zinc/25/30/21/171253021.db2.gz QCXFQKYZDMMELO-LLVKDONJSA-N 1 2 285.815 4.594 10 0 CJAELO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1OC ZINC000021010054 171286506 /nfs/dbraw/zinc/28/65/06/171286506.db2.gz HGAPJNGLQDLKTO-LSDHHAIUSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1OC ZINC000021010056 171286279 /nfs/dbraw/zinc/28/62/79/171286279.db2.gz HGAPJNGLQDLKTO-GJZGRUSLSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1OC ZINC000021010058 171286380 /nfs/dbraw/zinc/28/63/80/171286380.db2.gz HGAPJNGLQDLKTO-HUUCEWRRSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1OC ZINC000021010059 171286353 /nfs/dbraw/zinc/28/63/53/171286353.db2.gz HGAPJNGLQDLKTO-CABCVRRESA-N 1 2 291.435 4.721 10 0 CJAELO CC(C)CC[C@@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021013695 171288807 /nfs/dbraw/zinc/28/88/07/171288807.db2.gz GHSISYPUXMATNK-LLVKDONJSA-N 1 2 257.324 4.525 10 0 CJAELO CC(C)CC[C@H](C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021013696 171289010 /nfs/dbraw/zinc/28/90/10/171289010.db2.gz GHSISYPUXMATNK-NSHDSACASA-N 1 2 257.324 4.525 10 0 CJAELO COc1ccc([NH2+]C2CCC(C(C)(C)C)CC2)cc1 ZINC000021025300 171291309 /nfs/dbraw/zinc/29/13/09/171291309.db2.gz CDHMFTMVJRGFFI-UHFFFAOYSA-N 1 2 261.409 4.712 10 0 CJAELO CCCC1CCC([NH2+]c2ccc(OCC)cc2)CC1 ZINC000021045877 171293997 /nfs/dbraw/zinc/29/39/97/171293997.db2.gz VGVOOMOGBRQOMV-UHFFFAOYSA-N 1 2 261.409 4.856 10 0 CJAELO CCC1CCC([NH2+]c2cc(Cl)c(OC)cc2OC)CC1 ZINC000021060316 171296937 /nfs/dbraw/zinc/29/69/37/171296937.db2.gz PEXRCKSFTOTLCL-UHFFFAOYSA-N 1 2 297.826 4.738 10 0 CJAELO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000021500072 171305134 /nfs/dbraw/zinc/30/51/34/171305134.db2.gz CQGRCRDGMGVCCM-LSDHHAIUSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000021500073 171305169 /nfs/dbraw/zinc/30/51/69/171305169.db2.gz CQGRCRDGMGVCCM-GJZGRUSLSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1 ZINC000021500075 171304944 /nfs/dbraw/zinc/30/49/44/171304944.db2.gz CQGRCRDGMGVCCM-HUUCEWRRSA-N 1 2 291.435 4.721 10 0 CJAELO COc1ccc([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1 ZINC000021500076 171304876 /nfs/dbraw/zinc/30/48/76/171304876.db2.gz CQGRCRDGMGVCCM-CABCVRRESA-N 1 2 291.435 4.721 10 0 CJAELO CCOc1ccc([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021501394 171305552 /nfs/dbraw/zinc/30/55/52/171305552.db2.gz RHFMJGDCMHWQEF-UKRRQHHQSA-N 1 2 261.409 4.712 10 0 CJAELO CCOc1ccc([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021501396 171305588 /nfs/dbraw/zinc/30/55/88/171305588.db2.gz RHFMJGDCMHWQEF-HIFRSBDPSA-N 1 2 261.409 4.712 10 0 CJAELO CCOc1ccc([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021501398 171305421 /nfs/dbraw/zinc/30/54/21/171305421.db2.gz RHFMJGDCMHWQEF-DZGCQCFKSA-N 1 2 261.409 4.712 10 0 CJAELO CCOc1ccc([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021501399 171305436 /nfs/dbraw/zinc/30/54/36/171305436.db2.gz RHFMJGDCMHWQEF-ZFWWWQNUSA-N 1 2 261.409 4.712 10 0 CJAELO CCCC(CCC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021502591 171306143 /nfs/dbraw/zinc/30/61/43/171306143.db2.gz MMQSJHYYKNAIJO-UHFFFAOYSA-N 1 2 257.324 4.669 10 0 CJAELO CCOc1ccc([NH2+]C(CC(C)C)CC(C)C)cc1 ZINC000021507903 171308971 /nfs/dbraw/zinc/30/89/71/171308971.db2.gz JYCKCQVWMUJXGM-UHFFFAOYSA-N 1 2 263.425 4.958 10 0 CJAELO COc1cc(OC)c([NH2+]C2CCCCCCC2)cc1Cl ZINC000021512844 171310780 /nfs/dbraw/zinc/31/07/80/171310780.db2.gz ODMMCXBFPVSWRM-UHFFFAOYSA-N 1 2 297.826 4.882 10 0 CJAELO CCCC(CCC)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021515616 171311867 /nfs/dbraw/zinc/31/18/67/171311867.db2.gz BCAZOOTVHXZAHF-UHFFFAOYSA-N 1 2 285.815 4.738 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517865 171314140 /nfs/dbraw/zinc/31/41/40/171314140.db2.gz SWEFNZLMOIUWKG-IAOVAPTHSA-N 1 2 261.409 4.568 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517866 171314201 /nfs/dbraw/zinc/31/42/01/171314201.db2.gz SWEFNZLMOIUWKG-XKQJLSEDSA-N 1 2 261.409 4.568 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517867 171314245 /nfs/dbraw/zinc/31/42/45/171314245.db2.gz SWEFNZLMOIUWKG-KBRIMQKVSA-N 1 2 261.409 4.568 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021517868 171313945 /nfs/dbraw/zinc/31/39/45/171313945.db2.gz SWEFNZLMOIUWKG-XYPHTWIQSA-N 1 2 261.409 4.568 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518946 171314820 /nfs/dbraw/zinc/31/48/20/171314820.db2.gz QRHKAWBULMNGMO-YSVLISHTSA-N 1 2 291.435 4.577 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518947 171314807 /nfs/dbraw/zinc/31/48/07/171314807.db2.gz QRHKAWBULMNGMO-LXZKKBNFSA-N 1 2 291.435 4.577 10 0 CJAELO COc1ccc([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518948 171314733 /nfs/dbraw/zinc/31/47/33/171314733.db2.gz QRHKAWBULMNGMO-FRFSOERESA-N 1 2 291.435 4.577 10 0 CJAELO COc1ccc([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000021518949 171314976 /nfs/dbraw/zinc/31/49/76/171314976.db2.gz QRHKAWBULMNGMO-UNEWFSDZSA-N 1 2 291.435 4.577 10 0 CJAELO CCOc1ccc([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520308 171315675 /nfs/dbraw/zinc/31/56/75/171315675.db2.gz WCRYIJRXIYSPDT-BMGDILEWSA-N 1 2 275.436 4.958 10 0 CJAELO CCOc1ccc([NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520309 171315628 /nfs/dbraw/zinc/31/56/28/171315628.db2.gz WCRYIJRXIYSPDT-QGTPRVQTSA-N 1 2 275.436 4.958 10 0 CJAELO CCOc1ccc([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520310 171315429 /nfs/dbraw/zinc/31/54/29/171315429.db2.gz WCRYIJRXIYSPDT-ZTFGCOKTSA-N 1 2 275.436 4.958 10 0 CJAELO CCOc1ccc([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021520311 171315563 /nfs/dbraw/zinc/31/55/63/171315563.db2.gz WCRYIJRXIYSPDT-OLMNPRSZSA-N 1 2 275.436 4.958 10 0 CJAELO FC(F)(F)C[NH2+]C1CCCCCCCCCCC1 ZINC000021790115 171323568 /nfs/dbraw/zinc/32/35/68/171323568.db2.gz VGLNAKVDFDYEHD-UHFFFAOYSA-N 1 2 265.363 4.812 10 0 CJAELO CC[C@@H](C)C[C@@H](CC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021812333 171329829 /nfs/dbraw/zinc/32/98/29/171329829.db2.gz SFKAVFHCKZSFGE-VXGBXAGGSA-N 1 2 271.351 4.915 10 0 CJAELO CC[C@H](C[C@@H](C)CC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021812334 171329852 /nfs/dbraw/zinc/32/98/52/171329852.db2.gz SFKAVFHCKZSFGE-NWDGAFQWSA-N 1 2 271.351 4.915 10 0 CJAELO CC[C@@H](C)C[C@H](CC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021812335 171329855 /nfs/dbraw/zinc/32/98/55/171329855.db2.gz SFKAVFHCKZSFGE-NEPJUHHUSA-N 1 2 271.351 4.915 10 0 CJAELO CC[C@H](C)C[C@H](CC)[NH2+]c1ccc(OC(F)F)cc1 ZINC000021812336 171329702 /nfs/dbraw/zinc/32/97/02/171329702.db2.gz SFKAVFHCKZSFGE-RYUDHWBXSA-N 1 2 271.351 4.915 10 0 CJAELO CC[C@@H](C)C[C@@H](CC)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021812736 171330005 /nfs/dbraw/zinc/33/00/05/171330005.db2.gz QLMASIANLAZTNJ-VXGBXAGGSA-N 1 2 299.842 4.984 10 0 CJAELO CC[C@H](C[C@@H](C)CC)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021812737 171329991 /nfs/dbraw/zinc/32/99/91/171329991.db2.gz QLMASIANLAZTNJ-NWDGAFQWSA-N 1 2 299.842 4.984 10 0 CJAELO CC[C@@H](C)C[C@H](CC)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021812738 171330088 /nfs/dbraw/zinc/33/00/88/171330088.db2.gz QLMASIANLAZTNJ-NEPJUHHUSA-N 1 2 299.842 4.984 10 0 CJAELO CC[C@H](C)C[C@H](CC)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021812739 171330189 /nfs/dbraw/zinc/33/01/89/171330189.db2.gz QLMASIANLAZTNJ-RYUDHWBXSA-N 1 2 299.842 4.984 10 0 CJAELO CCC[C@@H](C)c1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000028889931 171580225 /nfs/dbraw/zinc/58/02/25/171580225.db2.gz UUVAONRNGLRUHT-SSDOTTSWSA-N 1 2 257.164 4.773 10 0 CJAELO C[C@H](Nc1ccc([NH+](C)C)cc1)c1nc2ccccc2s1 ZINC000035164409 172025789 /nfs/dbraw/zinc/02/57/89/172025789.db2.gz DZILOOCZPYRLQO-LBPRGKRZSA-N 1 2 297.427 4.535 10 0 CJAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1nc2ccccc2s1 ZINC000035164411 172026614 /nfs/dbraw/zinc/02/66/14/172026614.db2.gz DZILOOCZPYRLQO-GFCCVEGCSA-N 1 2 297.427 4.535 10 0 CJAELO FC(F)(F)COc1ccc([NH2+]CC2CCCCC2)cc1 ZINC000035224561 172068787 /nfs/dbraw/zinc/06/87/87/172068787.db2.gz QTGRXWJRZWWBJJ-UHFFFAOYSA-N 1 2 287.325 4.620 10 0 CJAELO Cc1cc([NH2+]CCc2ccc(Cl)cc2Cl)ccc1N ZINC000035277741 172097620 /nfs/dbraw/zinc/09/76/20/172097620.db2.gz VSIYWUAHOMYJRJ-UHFFFAOYSA-N 1 2 295.213 4.539 10 0 CJAELO Nc1ccc(Sc2ccccc2Cl)c2cc[nH+]cc12 ZINC000035333299 172131371 /nfs/dbraw/zinc/13/13/71/172131371.db2.gz RWKWYTCIJUSFOL-UHFFFAOYSA-N 1 2 286.787 4.622 10 0 CJAELO CC(C)[C@H](Nc1ccc([NH+](C)C)cc1)c1cccs1 ZINC000037270168 173082552 /nfs/dbraw/zinc/08/25/52/173082552.db2.gz XOPVCMUSUVOJQF-INIZCTEOSA-N 1 2 274.433 4.623 10 0 CJAELO CC(C)[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccs1 ZINC000037270170 173081995 /nfs/dbraw/zinc/08/19/95/173081995.db2.gz XOPVCMUSUVOJQF-MRXNPFEDSA-N 1 2 274.433 4.623 10 0 CJAELO CC[C@H]([NH2+]c1ccc(N(C)C(C)C)c(F)c1)C(C)C ZINC000037275807 173087696 /nfs/dbraw/zinc/08/76/96/173087696.db2.gz XBUUMXTXLRYJSW-HNNXBMFYSA-N 1 2 266.404 4.517 10 0 CJAELO CC[C@@H]([NH2+]c1ccc(N(C)C(C)C)c(F)c1)C(C)C ZINC000037275809 173087081 /nfs/dbraw/zinc/08/70/81/173087081.db2.gz XBUUMXTXLRYJSW-OAHLLOKOSA-N 1 2 266.404 4.517 10 0 CJAELO CCCC[C@@H](C)[NH2+]c1ccc(N2CCCC2)cc1C ZINC000037278265 173088396 /nfs/dbraw/zinc/08/83/96/173088396.db2.gz YVUPWAWEPQDZLK-OAHLLOKOSA-N 1 2 260.425 4.586 10 0 CJAELO CCCC[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1C ZINC000037278265 173088390 /nfs/dbraw/zinc/08/83/90/173088390.db2.gz YVUPWAWEPQDZLK-OAHLLOKOSA-N 1 2 260.425 4.586 10 0 CJAELO CCCC[C@H](C)[NH2+]c1ccc(N2CCCC2)cc1C ZINC000037278267 173088569 /nfs/dbraw/zinc/08/85/69/173088569.db2.gz YVUPWAWEPQDZLK-HNNXBMFYSA-N 1 2 260.425 4.586 10 0 CJAELO CCCC[C@H](C)Nc1ccc([NH+]2CCCC2)cc1C ZINC000037278267 173088566 /nfs/dbraw/zinc/08/85/66/173088566.db2.gz YVUPWAWEPQDZLK-HNNXBMFYSA-N 1 2 260.425 4.586 10 0 CJAELO Cc1cc(N)ccc1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000037371750 173160628 /nfs/dbraw/zinc/16/06/28/173160628.db2.gz GFURMMLVWGEREI-UHFFFAOYSA-N 1 2 295.213 4.539 10 0 CJAELO Cc1cc(Cl)c(C(C)C)cc1Oc1cc[nH+]cc1N ZINC000037429084 173200138 /nfs/dbraw/zinc/20/01/38/173200138.db2.gz DZSYKJJPCPGVLO-UHFFFAOYSA-N 1 2 276.767 4.541 10 0 CJAELO CC(C)c1ccc(-c2cccc(N)[nH+]2)c(C(C)C)c1 ZINC000038069282 174080947 /nfs/dbraw/zinc/08/09/47/174080947.db2.gz GSKBADCYYIVCCP-UHFFFAOYSA-N 1 2 254.377 4.578 10 0 CJAELO CCc1ccc(C[C@@H](C)[C@@H](C)/C=C/C=C(C)C)[nH+]c1 ZINC000038644192 174150462 /nfs/dbraw/zinc/15/04/62/174150462.db2.gz DJDVIJAODODGPC-KBUFDJFCSA-N 1 2 257.421 4.981 10 0 CJAELO CCc1ccc(C[C@H](C)[C@@H](C)/C=C\C=C(C)C)[nH+]c1 ZINC000038644195 174150421 /nfs/dbraw/zinc/15/04/21/174150421.db2.gz DJDVIJAODODGPC-RDIIQDETSA-N 1 2 257.421 4.981 10 0 CJAELO CCc1ccc(C[C@H](C)[C@@H](C)/C=C/C=C(C)C)[nH+]c1 ZINC000038644198 174150600 /nfs/dbraw/zinc/15/06/00/174150600.db2.gz DJDVIJAODODGPC-GFXFGIRVSA-N 1 2 257.421 4.981 10 0 CJAELO Clc1cccc2c(NCc3ccccc3)cc[nH+]c12 ZINC000039963806 174179737 /nfs/dbraw/zinc/17/97/37/174179737.db2.gz HNZLDTAFPYXTRN-UHFFFAOYSA-N 1 2 268.747 4.500 10 0 CJAELO Clc1cccc2c(NCCc3ccccc3)cc[nH+]c12 ZINC000039963807 174179677 /nfs/dbraw/zinc/17/96/77/174179677.db2.gz QGQKOFRNSHJKGG-UHFFFAOYSA-N 1 2 282.774 4.543 10 0 CJAELO Clc1cccc2c(NCCc3cccs3)cc[nH+]c12 ZINC000039963808 174179806 /nfs/dbraw/zinc/17/98/06/174179806.db2.gz XCMGOWKXRATEKF-UHFFFAOYSA-N 1 2 288.803 4.604 10 0 CJAELO FC(F)(F)c1cccc2c(Nc3ccccc3)cc[nH+]c21 ZINC000039963829 174179811 /nfs/dbraw/zinc/17/98/11/174179811.db2.gz VBSDKAMTMSDDQM-UHFFFAOYSA-N 1 2 288.272 4.997 10 0 CJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)C3CCCCC3)c2c1 ZINC000040177077 174202336 /nfs/dbraw/zinc/20/23/36/174202336.db2.gz ZRXCAKHUSPAXOU-UHFFFAOYSA-N 1 2 296.414 4.679 10 0 CJAELO CCC(CC)C(=O)Nc1cc(C)[nH+]c2c(C)cc(C)cc12 ZINC000040177098 174202450 /nfs/dbraw/zinc/20/24/50/174202450.db2.gz WVNWIWIGZZCFCG-UHFFFAOYSA-N 1 2 284.403 4.535 10 0 CJAELO Cc1[nH+]c2ccccc2n1CCOc1ccccc1C(C)C ZINC000040224639 174207865 /nfs/dbraw/zinc/20/78/65/174207865.db2.gz LNHHBSMPYVPASE-UHFFFAOYSA-N 1 2 294.398 4.547 10 0 CJAELO Cc1[nH+]c2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040224656 174208280 /nfs/dbraw/zinc/20/82/80/174208280.db2.gz IKTIVHBDHFJVQS-UHFFFAOYSA-N 1 2 294.398 4.547 10 0 CJAELO CC(C)c1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000040231233 174210215 /nfs/dbraw/zinc/21/02/15/174210215.db2.gz NRDVUYZJEIPWLF-UHFFFAOYSA-N 1 2 278.399 4.793 10 0 CJAELO Cc1ccccc1OCCn1c2ccccc2[nH+]c1C(C)C ZINC000040231234 174209810 /nfs/dbraw/zinc/20/98/10/174209810.db2.gz XPOPOTVVPYQVMC-UHFFFAOYSA-N 1 2 294.398 4.547 10 0 CJAELO Cc1cccc(OCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231257 174209900 /nfs/dbraw/zinc/20/99/00/174209900.db2.gz WQZNCBZTOUTKEX-UHFFFAOYSA-N 1 2 294.398 4.547 10 0 CJAELO CCCCCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040239210 174212180 /nfs/dbraw/zinc/21/21/80/174212180.db2.gz JTRWLKVOWCIJFK-UHFFFAOYSA-N 1 2 258.409 4.914 10 0 CJAELO CC(C)(C)c1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000040239217 174212321 /nfs/dbraw/zinc/21/23/21/174212321.db2.gz BAULDXWZNNCFTF-UHFFFAOYSA-N 1 2 292.426 4.967 10 0 CJAELO Cc1c(Cl)ccc2c(NNc3ccccc3)cc[nH+]c12 ZINC000040358906 174246304 /nfs/dbraw/zinc/24/63/04/174246304.db2.gz IPNYKXPWNYDQNV-UHFFFAOYSA-N 1 2 283.762 4.636 10 0 CJAELO COc1ccc(Nc2cc[nH+]c3c(C)c(Cl)ccc23)cc1 ZINC000040358918 174246309 /nfs/dbraw/zinc/24/63/09/174246309.db2.gz YHSVAZSFJMJREO-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO COc1ccccc1Nc1cc[nH+]c2c(C)c(Cl)ccc12 ZINC000040358922 174246090 /nfs/dbraw/zinc/24/60/90/174246090.db2.gz BQUOWJVGIPHPKN-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO Cc1c(Cl)ccc2c(Nc3ccccc3)cc[nH+]c12 ZINC000040358928 174246274 /nfs/dbraw/zinc/24/62/74/174246274.db2.gz SAJWBOUDBCACKK-UHFFFAOYSA-N 1 2 268.747 4.940 10 0 CJAELO COc1cccc(Nc2cc[nH+]c3c(C)c(Cl)ccc23)c1 ZINC000040358958 174246315 /nfs/dbraw/zinc/24/63/15/174246315.db2.gz RHFZWCUMWCWKCQ-UHFFFAOYSA-N 1 2 298.773 4.949 10 0 CJAELO CCc1ccc(-c2cn3cc(Cl)cc(C)c3[nH+]2)cc1 ZINC000040383795 174251640 /nfs/dbraw/zinc/25/16/40/174251640.db2.gz OTYYLYKQAKJJEM-UHFFFAOYSA-N 1 2 270.763 4.526 10 0 CJAELO Cc1cc(Cl)cn2cc(-c3ccc(Cl)cc3)[nH+]c12 ZINC000040383800 174251537 /nfs/dbraw/zinc/25/15/37/174251537.db2.gz PQWLTLIUBZWKQR-UHFFFAOYSA-N 1 2 277.154 4.617 10 0 CJAELO Cc1cc(Cl)cn2cc(-c3ccc(C)c(C)c3)[nH+]c12 ZINC000040383809 174251388 /nfs/dbraw/zinc/25/13/88/174251388.db2.gz JRMYJEUOZXAKQO-UHFFFAOYSA-N 1 2 270.763 4.580 10 0 CJAELO CCOCCCn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040389480 174252508 /nfs/dbraw/zinc/25/25/08/174252508.db2.gz WXWYKXKRAXIEAR-UHFFFAOYSA-N 1 2 286.419 4.511 10 0 CJAELO c1coc(Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000040390268 174252228 /nfs/dbraw/zinc/25/22/28/174252228.db2.gz HBUVFGLIUCZMGF-UHFFFAOYSA-N 1 2 280.371 4.725 10 0 CJAELO Cc1cc(C)cc(Nc2cc(C)c3ccccc3[nH+]2)c1 ZINC000040400809 174253337 /nfs/dbraw/zinc/25/33/37/174253337.db2.gz MNJZHJBBNFOMLC-UHFFFAOYSA-N 1 2 262.356 4.904 10 0 CJAELO CCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040417203 174256069 /nfs/dbraw/zinc/25/60/69/174256069.db2.gz VXIOFWPCNLMYEU-UHFFFAOYSA-N 1 2 262.784 4.757 10 0 CJAELO CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417602 174255930 /nfs/dbraw/zinc/25/59/30/174255930.db2.gz WFXVFJKEUGSZIE-UHFFFAOYSA-N 1 2 284.325 4.664 10 0 CJAELO CC(C)c1[nH+]c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417819 174256436 /nfs/dbraw/zinc/25/64/36/174256436.db2.gz OWMYXJIKYZYBGE-UHFFFAOYSA-N 1 2 284.790 4.861 10 0 CJAELO Cc1c2cc[nH+]cc2c(C)c2c1Oc1ccccc1O2 ZINC000040576344 174341888 /nfs/dbraw/zinc/34/18/88/174341888.db2.gz GOLRTZAKBMGUEZ-UHFFFAOYSA-N 1 2 263.296 4.750 10 0 CJAELO CCc1ccccc1Nc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000045918839 175386234 /nfs/dbraw/zinc/38/62/34/175386234.db2.gz XDGWZBLRWWAKIL-UHFFFAOYSA-N 1 2 271.751 4.522 10 0 CJAELO c1ccc2[nH+]c(N[C@@H]3CCCc4ccccc43)ccc2c1 ZINC000047874029 327216350 /nfs/dbraw/zinc/21/63/50/327216350.db2.gz VKVCGPJURVLNGZ-GOSISDBHSA-N 1 2 274.367 4.724 10 0 CJAELO c1ccc2[nH+]c(N[C@H]3CCCc4ccccc43)ccc2c1 ZINC000047874030 327216526 /nfs/dbraw/zinc/21/65/26/327216526.db2.gz VKVCGPJURVLNGZ-SFHVURJKSA-N 1 2 274.367 4.724 10 0 CJAELO CCC[C@H](Nc1ccc([NH3+])cc1C)c1cccs1 ZINC000049542274 521179339 /nfs/dbraw/zinc/17/93/39/521179339.db2.gz NMBLXWCKKIKUOC-AWEZNQCLSA-N 1 2 260.406 4.592 10 0 CJAELO CCC[C@@H](Nc1ccc([NH3+])cc1C)c1cccs1 ZINC000049542275 520794763 /nfs/dbraw/zinc/79/47/63/520794763.db2.gz NMBLXWCKKIKUOC-CQSZACIVSA-N 1 2 260.406 4.592 10 0 CJAELO CC[C@H](Nc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000050197702 328391271 /nfs/dbraw/zinc/39/12/71/328391271.db2.gz PGTZMAMQRBZSIZ-INIZCTEOSA-N 1 2 262.356 4.798 10 0 CJAELO CC[C@@H](Nc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000050197703 328391253 /nfs/dbraw/zinc/39/12/53/328391253.db2.gz PGTZMAMQRBZSIZ-MRXNPFEDSA-N 1 2 262.356 4.798 10 0 CJAELO CCCNc1[nH+]cccc1CSc1ccc(C)cc1 ZINC000052755946 520196512 /nfs/dbraw/zinc/19/65/12/520196512.db2.gz ADLHMSSIVHKSOK-UHFFFAOYSA-N 1 2 272.417 4.504 10 0 CJAELO CNc1cc(CSc2cc(Cl)ccc2Cl)cc[nH+]1 ZINC000052755961 522566997 /nfs/dbraw/zinc/56/69/97/522566997.db2.gz PRXCGMKUDGLHTO-UHFFFAOYSA-N 1 2 299.226 4.722 10 0 CJAELO CNc1cc(CSc2ccc(C(C)C)cc2)cc[nH+]1 ZINC000052755994 522568618 /nfs/dbraw/zinc/56/86/18/522568618.db2.gz FYCYICMFLSIZIQ-UHFFFAOYSA-N 1 2 272.417 4.539 10 0 CJAELO Cc1cc(C)cc(NC2=[NH+]C3(CS2)CCCCC3)c1 ZINC000053097721 524436676 /nfs/dbraw/zinc/43/66/76/524436676.db2.gz WBTMNYUHHQSIKH-UHFFFAOYSA-N 1 2 274.433 4.521 10 0 CJAELO CCCCc1ccc2[nH+]c(C(F)F)cc(NC)c2c1 ZINC000061629631 521288674 /nfs/dbraw/zinc/28/86/74/521288674.db2.gz DAMKIOLKLJNJCJ-UHFFFAOYSA-N 1 2 264.319 4.557 10 0 CJAELO CCCNc1cc(C(F)F)[nH+]c2c(C)c(C)ccc12 ZINC000061629699 520133981 /nfs/dbraw/zinc/13/39/81/520133981.db2.gz PSHJSPKUAQZYKS-UHFFFAOYSA-N 1 2 264.319 4.611 10 0 CJAELO Cc1c2ccc(F)cc2oc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000062749523 525963184 /nfs/dbraw/zinc/96/31/84/525963184.db2.gz YGVVAMWLQRDLCH-CYBMUJFWSA-N 1 2 295.766 4.643 10 0 CJAELO Cc1c2ccc(F)cc2oc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000062749524 525963932 /nfs/dbraw/zinc/96/39/32/525963932.db2.gz YGVVAMWLQRDLCH-ZDUSSCGKSA-N 1 2 295.766 4.643 10 0 CJAELO Cc1ccc2oc([C@H]([NH3+])c3ccc(Cl)s3)cc2c1 ZINC000071406681 176156368 /nfs/dbraw/zinc/15/63/68/176156368.db2.gz FPZVEIXXBMGHGN-AWEZNQCLSA-N 1 2 277.776 4.504 10 0 CJAELO Cc1ccc2oc([C@@H]([NH3+])c3ccc(Cl)s3)cc2c1 ZINC000071406682 176156106 /nfs/dbraw/zinc/15/61/06/176156106.db2.gz FPZVEIXXBMGHGN-CQSZACIVSA-N 1 2 277.776 4.504 10 0 CJAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000071412944 176158233 /nfs/dbraw/zinc/15/82/33/176158233.db2.gz FWNJHOZIZGLGRK-AWEZNQCLSA-N 1 2 254.377 4.687 10 0 CJAELO Cc1cc[nH+]cc1N[C@H](C)c1ccc(C(C)C)cc1 ZINC000071412945 176158139 /nfs/dbraw/zinc/15/81/39/176158139.db2.gz FWNJHOZIZGLGRK-CQSZACIVSA-N 1 2 254.377 4.687 10 0 CJAELO Cc1cc[nH+]cc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000071413249 176158640 /nfs/dbraw/zinc/15/86/40/176158640.db2.gz NGIGUVOCROBYKN-JTQLQIEISA-N 1 2 281.186 4.870 10 0 CJAELO Cc1cc[nH+]cc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC000071413250 176158549 /nfs/dbraw/zinc/15/85/49/176158549.db2.gz NGIGUVOCROBYKN-SNVBAGLBSA-N 1 2 281.186 4.870 10 0 CJAELO Cc1cc[nH+]cc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000071413778 176158930 /nfs/dbraw/zinc/15/89/30/176158930.db2.gz RYWYHODEFOBQFL-MRXNPFEDSA-N 1 2 272.779 4.607 10 0 CJAELO Cc1cc[nH+]cc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000071413779 176158890 /nfs/dbraw/zinc/15/88/90/176158890.db2.gz RYWYHODEFOBQFL-INIZCTEOSA-N 1 2 272.779 4.607 10 0 CJAELO Cc1cc2c(Nc3cccc(N)c3)cc[nH+]c2cc1Cl ZINC000072237445 176346140 /nfs/dbraw/zinc/34/61/40/176346140.db2.gz NWIQKNKXYKYZOK-UHFFFAOYSA-N 1 2 283.762 4.522 10 0 CJAELO Cc1cc2[nH+]c(Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000073638842 567893508 /nfs/dbraw/zinc/89/35/08/567893508.db2.gz KPDRGMMRJRTWOJ-UHFFFAOYSA-N 1 2 291.181 4.769 10 0 CJAELO CC(C)(CNc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000082712192 178225164 /nfs/dbraw/zinc/22/51/64/178225164.db2.gz JCHGZYWDKNVPOC-UHFFFAOYSA-N 1 2 276.383 4.625 10 0 CJAELO Cc1ccccc1[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803204 260262575 /nfs/dbraw/zinc/26/25/75/260262575.db2.gz AZKJQZVTRYPINI-LLVKDONJSA-N 1 2 280.293 4.582 10 0 CJAELO Cc1ccccc1[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803205 260262629 /nfs/dbraw/zinc/26/26/29/260262629.db2.gz AZKJQZVTRYPINI-NSHDSACASA-N 1 2 280.293 4.582 10 0 CJAELO CC[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cccs1 ZINC000090803215 260262476 /nfs/dbraw/zinc/26/24/76/260262476.db2.gz LKYBRSAITBVNSD-JTQLQIEISA-N 1 2 286.322 4.725 10 0 CJAELO CC[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cccs1 ZINC000090803217 260262694 /nfs/dbraw/zinc/26/26/94/260262694.db2.gz LKYBRSAITBVNSD-SNVBAGLBSA-N 1 2 286.322 4.725 10 0 CJAELO c1ccc(CCc2cccc(CCc3ccccc3)[nH+]2)cc1 ZINC000095581372 185011096 /nfs/dbraw/zinc/01/10/96/185011096.db2.gz BTLPCKQSQHIHRK-UHFFFAOYSA-N 1 2 287.406 4.652 10 0 CJAELO [NH2+]=CN(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000095932060 185032902 /nfs/dbraw/zinc/03/29/02/185032902.db2.gz MUQXUUDJKUYGLT-UHFFFAOYSA-N 1 2 265.143 4.739 10 0 CJAELO CC(C)n1c[nH+]cc1-c1ccccc1OCc1ccccc1 ZINC000103191975 567837784 /nfs/dbraw/zinc/83/77/84/567837784.db2.gz VBHQWCQEWWWCOU-UHFFFAOYSA-N 1 2 292.382 4.710 10 0 CJAELO CCCNc1cc(CCC)[nH+]c2c(Cl)cc(F)cc12 ZINC000104019094 185883846 /nfs/dbraw/zinc/88/38/46/185883846.db2.gz LUPMCUXEANZYHM-UHFFFAOYSA-N 1 2 280.774 4.802 10 0 CJAELO CCC(CC)[C@@H](C)Nc1[nH+]c2ccccc2cc1C ZINC000104438517 186002646 /nfs/dbraw/zinc/00/26/46/186002646.db2.gz MNEGZHLUFCYKBR-CYBMUJFWSA-N 1 2 256.393 4.780 10 0 CJAELO CCC(CC)[C@H](C)Nc1[nH+]c2ccccc2cc1C ZINC000104438522 186002250 /nfs/dbraw/zinc/00/22/50/186002250.db2.gz MNEGZHLUFCYKBR-ZDUSSCGKSA-N 1 2 256.393 4.780 10 0 CJAELO CC[C@H]([NH2+]c1ccc(N)cc1Cl)C1CCCCC1 ZINC000109677213 186268525 /nfs/dbraw/zinc/26/85/25/186268525.db2.gz HPPBCSOGBXDOOG-AWEZNQCLSA-N 1 2 266.816 4.693 10 0 CJAELO CC[C@@H]([NH2+]c1ccc(N)cc1Cl)C1CCCCC1 ZINC000109677215 186268675 /nfs/dbraw/zinc/26/86/75/186268675.db2.gz HPPBCSOGBXDOOG-CQSZACIVSA-N 1 2 266.816 4.693 10 0 CJAELO CCCNc1c(CC)c(C)[nH+]c2c(F)ccc(Cl)c12 ZINC000110110825 186286506 /nfs/dbraw/zinc/28/65/06/186286506.db2.gz BXGYIGZFCIWLTE-UHFFFAOYSA-N 1 2 280.774 4.720 10 0 CJAELO Cc1cc2[nH+]c(C34CC5CC(CC(C5)C3)C4)[nH]c2c(C)c1 ZINC000122344229 187027350 /nfs/dbraw/zinc/02/73/50/187027350.db2.gz UVUMHCFDXPXLFP-UHFFFAOYSA-N 1 2 280.415 4.648 10 0 CJAELO CC(C)n1cc[nH+]c1CNc1ccc(-c2ccccc2)cc1 ZINC000123825987 333553943 /nfs/dbraw/zinc/55/39/43/333553943.db2.gz XUPNUSGSFODIRG-UHFFFAOYSA-N 1 2 291.398 4.743 10 0 CJAELO Cc1cccc(C(C)C)c1NCc1[nH+]ccn1C(C)C ZINC000124766926 329573655 /nfs/dbraw/zinc/57/36/55/329573655.db2.gz LRXYMWHZEYNYSQ-UHFFFAOYSA-N 1 2 271.408 4.508 10 0 CJAELO Cc1cc2ccccc2[nH+]c1NCCCCC(F)(F)F ZINC000125849208 260344017 /nfs/dbraw/zinc/34/40/17/260344017.db2.gz YIBWBTSYRYBMMZ-UHFFFAOYSA-N 1 2 282.309 4.688 10 0 CJAELO Cc1ccc(N[C@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000164703405 331291711 /nfs/dbraw/zinc/29/17/11/331291711.db2.gz JGKCJQDGNCAAEC-LLVKDONJSA-N 1 2 280.293 4.582 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1c(F)cccc1F ZINC000171678265 335074160 /nfs/dbraw/zinc/07/41/60/335074160.db2.gz XNZVHIFREIIGRX-NSHDSACASA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1c(F)cccc1F ZINC000171678270 335074110 /nfs/dbraw/zinc/07/41/10/335074110.db2.gz XNZVHIFREIIGRX-LLVKDONJSA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1ccc(F)cc1 ZINC000171678297 327661954 /nfs/dbraw/zinc/66/19/54/327661954.db2.gz ONUSHTRBKYBWJY-LBPRGKRZSA-N 1 2 278.396 4.598 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1cccc(F)c1 ZINC000175291648 261216825 /nfs/dbraw/zinc/21/68/25/261216825.db2.gz GRXVSSDRTHHQOF-LBPRGKRZSA-N 1 2 278.396 4.598 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1cccc(F)c1 ZINC000175291665 261216598 /nfs/dbraw/zinc/21/65/98/261216598.db2.gz GRXVSSDRTHHQOF-GFCCVEGCSA-N 1 2 278.396 4.598 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1cc(F)ccc1F ZINC000175291824 261217215 /nfs/dbraw/zinc/21/72/15/261217215.db2.gz RCHZNXYZVHPMLU-NSHDSACASA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1cc(F)ccc1F ZINC000175291842 261217285 /nfs/dbraw/zinc/21/72/85/261217285.db2.gz RCHZNXYZVHPMLU-LLVKDONJSA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1ccc(F)c(F)c1 ZINC000175292482 261216885 /nfs/dbraw/zinc/21/68/85/261216885.db2.gz GGUNZDALTFTUQC-NSHDSACASA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1ccc(F)c(F)c1 ZINC000175292499 261216961 /nfs/dbraw/zinc/21/69/61/261216961.db2.gz GGUNZDALTFTUQC-LLVKDONJSA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1ccc(F)cc1F ZINC000175292596 261217304 /nfs/dbraw/zinc/21/73/04/261217304.db2.gz TZUIWVYHOGCWAY-NSHDSACASA-N 1 2 296.386 4.737 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1ccc(F)cc1F ZINC000175292612 261217250 /nfs/dbraw/zinc/21/72/50/261217250.db2.gz TZUIWVYHOGCWAY-LLVKDONJSA-N 1 2 296.386 4.737 10 0 CJAELO Cc1cc(CSCc2[nH+]ccn2C(C)C)c(C)s1 ZINC000175293857 261217156 /nfs/dbraw/zinc/21/71/56/261217156.db2.gz YNUWWQZZNAUTLQ-UHFFFAOYSA-N 1 2 280.462 4.576 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@@H]1CCc2ccc(F)cc21 ZINC000175302796 261220781 /nfs/dbraw/zinc/22/07/81/261220781.db2.gz BIFJAJLMHYIKQW-OAHLLOKOSA-N 1 2 290.407 4.524 10 0 CJAELO CC(C)n1cc[nH+]c1CS[C@H]1CCc2ccc(F)cc21 ZINC000175302816 261220643 /nfs/dbraw/zinc/22/06/43/261220643.db2.gz BIFJAJLMHYIKQW-HNNXBMFYSA-N 1 2 290.407 4.524 10 0 CJAELO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Oc3ccccc3)o2)o1 ZINC000180766079 260110685 /nfs/dbraw/zinc/11/06/85/260110685.db2.gz VUDACIMPUJIVKU-CQSZACIVSA-N 1 2 297.354 4.824 10 0 CJAELO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Oc3ccccc3)o2)o1 ZINC000180766107 260110847 /nfs/dbraw/zinc/11/08/47/260110847.db2.gz VUDACIMPUJIVKU-AWEZNQCLSA-N 1 2 297.354 4.824 10 0 CJAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598712 329243126 /nfs/dbraw/zinc/24/31/26/329243126.db2.gz COPZKXXPYDODSC-KGLIPLIRSA-N 1 2 296.370 4.655 10 0 CJAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598732 329243086 /nfs/dbraw/zinc/24/30/86/329243086.db2.gz COPZKXXPYDODSC-KBPBESRZSA-N 1 2 296.370 4.655 10 0 CJAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598748 329243088 /nfs/dbraw/zinc/24/30/88/329243088.db2.gz COPZKXXPYDODSC-ZIAGYGMSSA-N 1 2 296.370 4.655 10 0 CJAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000182598768 329243117 /nfs/dbraw/zinc/24/31/17/329243117.db2.gz COPZKXXPYDODSC-UONOGXRCSA-N 1 2 296.370 4.655 10 0 CJAELO CC(C)n1cc[nH+]c1CSCc1ccc(C(F)F)cc1 ZINC000185635670 329328323 /nfs/dbraw/zinc/32/83/23/329328323.db2.gz BWDWLLWMXBQXFU-UHFFFAOYSA-N 1 2 296.386 4.835 10 0 CJAELO Clc1ccsc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000194369432 336018681 /nfs/dbraw/zinc/01/86/81/336018681.db2.gz CVAVMKPFCNAHEJ-LLVKDONJSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccsc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000194369432 336018680 /nfs/dbraw/zinc/01/86/80/336018680.db2.gz CVAVMKPFCNAHEJ-LLVKDONJSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccsc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000194369447 336018608 /nfs/dbraw/zinc/01/86/08/336018608.db2.gz CVAVMKPFCNAHEJ-NSHDSACASA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccsc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000194369447 336018607 /nfs/dbraw/zinc/01/86/07/336018607.db2.gz CVAVMKPFCNAHEJ-NSHDSACASA-N 1 2 298.864 4.585 10 0 CJAELO Clc1csc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000194369468 333270179 /nfs/dbraw/zinc/27/01/79/333270179.db2.gz YKVBCUPDJXILLI-LBPRGKRZSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1csc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000194369468 333270177 /nfs/dbraw/zinc/27/01/77/333270177.db2.gz YKVBCUPDJXILLI-LBPRGKRZSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1csc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000194369480 333270225 /nfs/dbraw/zinc/27/02/25/333270225.db2.gz YKVBCUPDJXILLI-GFCCVEGCSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1csc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000194369480 333270223 /nfs/dbraw/zinc/27/02/23/333270223.db2.gz YKVBCUPDJXILLI-GFCCVEGCSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195366407 336052589 /nfs/dbraw/zinc/05/25/89/336052589.db2.gz PDLOPKZLJBDISP-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195366407 336052587 /nfs/dbraw/zinc/05/25/87/336052587.db2.gz PDLOPKZLJBDISP-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1cccc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000195366414 336052685 /nfs/dbraw/zinc/05/26/85/336052685.db2.gz PDLOPKZLJBDISP-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1cccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000195366414 336052683 /nfs/dbraw/zinc/05/26/83/336052683.db2.gz PDLOPKZLJBDISP-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000195368001 333251459 /nfs/dbraw/zinc/25/14/59/333251459.db2.gz RABXRBGWSPMIRF-LLVKDONJSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000195368001 333251458 /nfs/dbraw/zinc/25/14/58/333251458.db2.gz RABXRBGWSPMIRF-LLVKDONJSA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000195368007 333251634 /nfs/dbraw/zinc/25/16/34/333251634.db2.gz RABXRBGWSPMIRF-NSHDSACASA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000195368007 333251633 /nfs/dbraw/zinc/25/16/33/333251633.db2.gz RABXRBGWSPMIRF-NSHDSACASA-N 1 2 298.864 4.585 10 0 CJAELO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000195369787 333251617 /nfs/dbraw/zinc/25/16/17/333251617.db2.gz DVFWLOITLCMEHN-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000195369787 333251616 /nfs/dbraw/zinc/25/16/16/333251616.db2.gz DVFWLOITLCMEHN-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000195369791 333251455 /nfs/dbraw/zinc/25/14/55/333251455.db2.gz DVFWLOITLCMEHN-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000195369791 333251453 /nfs/dbraw/zinc/25/14/53/333251453.db2.gz DVFWLOITLCMEHN-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195369831 333251659 /nfs/dbraw/zinc/25/16/59/333251659.db2.gz YUSZVHXDNKKJKY-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195369831 333251658 /nfs/dbraw/zinc/25/16/58/333251658.db2.gz YUSZVHXDNKKJKY-CQSZACIVSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195369836 333251652 /nfs/dbraw/zinc/25/16/52/333251652.db2.gz YUSZVHXDNKKJKY-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Clc1ccccc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195369836 333251650 /nfs/dbraw/zinc/25/16/50/333251650.db2.gz YUSZVHXDNKKJKY-AWEZNQCLSA-N 1 2 292.835 4.524 10 0 CJAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887396 260140627 /nfs/dbraw/zinc/14/06/27/260140627.db2.gz ZLEIOXKEFUWEMP-VHSXEESVSA-N 1 2 299.201 4.702 10 0 CJAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887450 333170240 /nfs/dbraw/zinc/17/02/40/333170240.db2.gz ZLEIOXKEFUWEMP-UWVGGRQHSA-N 1 2 299.201 4.702 10 0 CJAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887511 333170171 /nfs/dbraw/zinc/17/01/71/333170171.db2.gz ZLEIOXKEFUWEMP-NXEZZACHSA-N 1 2 299.201 4.702 10 0 CJAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000220887581 333170357 /nfs/dbraw/zinc/17/03/57/333170357.db2.gz ZLEIOXKEFUWEMP-ZJUUUORDSA-N 1 2 299.201 4.702 10 0 CJAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220887909 260140683 /nfs/dbraw/zinc/14/06/83/260140683.db2.gz AXIWLNFOFDCBFA-UONOGXRCSA-N 1 2 272.392 4.518 10 0 CJAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220887971 260140606 /nfs/dbraw/zinc/14/06/06/260140606.db2.gz AXIWLNFOFDCBFA-KBPBESRZSA-N 1 2 272.392 4.518 10 0 CJAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220888029 260140580 /nfs/dbraw/zinc/14/05/80/260140580.db2.gz AXIWLNFOFDCBFA-ZIAGYGMSSA-N 1 2 272.392 4.518 10 0 CJAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000220888095 260140524 /nfs/dbraw/zinc/14/05/24/260140524.db2.gz AXIWLNFOFDCBFA-KGLIPLIRSA-N 1 2 272.392 4.518 10 0 CJAELO C[C@H](Nc1cccc[nH+]1)c1cc2cc(Cl)ccc2o1 ZINC000301288363 227501147 /nfs/dbraw/zinc/50/11/47/227501147.db2.gz RWRSAYQHMKDUJJ-JTQLQIEISA-N 1 2 272.735 4.654 10 0 CJAELO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1ccc(Cl)s1 ZINC000301514137 227568253 /nfs/dbraw/zinc/56/82/53/227568253.db2.gz JGQACNQMCDFBSX-VIFPVBQESA-N 1 2 295.839 4.662 10 0 CJAELO CC(C)(C)[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cccs1 ZINC000301537283 526711696 /nfs/dbraw/zinc/71/16/96/526711696.db2.gz AYIWPXSJMWRFPH-CQSZACIVSA-N 1 2 287.432 4.615 10 0 CJAELO Cc1cc(N2CCC[C@@H]2c2ccco2)c2cccc(F)c2[nH+]1 ZINC000301643733 227622889 /nfs/dbraw/zinc/62/28/89/227622889.db2.gz CDPXNSUULNSRJX-OAHLLOKOSA-N 1 2 296.345 4.617 10 0 CJAELO Cc1c(Cl)cc(NCc2[nH+]ccn2C(C)C)cc1Cl ZINC000467773146 331423993 /nfs/dbraw/zinc/42/39/93/331423993.db2.gz QVUVVVQKKGZRRO-UHFFFAOYSA-N 1 2 298.217 4.691 10 0 CJAELO CCc1c(C)[nH+]c2ccc(C(F)(F)F)cc2c1CC ZINC000536954519 330382878 /nfs/dbraw/zinc/38/28/78/330382878.db2.gz VMTLMOXWCQMTAO-UHFFFAOYSA-N 1 2 267.294 4.687 10 0 CJAELO C[Si](C)(C)CCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000725244973 567908212 /nfs/dbraw/zinc/90/82/12/567908212.db2.gz CEQILNQCXJXFCB-UHFFFAOYSA-N 1 2 298.915 4.559 10 0 CJAELO